COVPDB1000
  Mrv2015 05262116113D          

 28 28  0  0  1  0            999 V2000
    1.1040    9.9544    7.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3928    9.1624    5.6977 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9215    8.9468    5.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5697    7.8327    5.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6143    6.9273    4.4150 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2317    7.7724    3.0472 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.3109    8.5332    2.2720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1899    7.7254    2.4818 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8239    6.1964    4.1640 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720    5.2246    4.9546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9489    5.0136    6.1163 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4081    4.3045    4.4148 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5647    5.0087    3.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6633    4.0598    3.0453 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4924    3.3218    4.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6103    4.8495    2.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7139    3.4102    3.5372 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438    2.0904    3.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7775    1.5336    4.8274 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7728    1.3448    2.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6591    1.9255    2.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0302    1.2322    1.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3814   -0.0570    0.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4779   -0.6514    1.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    0.0371    2.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5295   -0.7532    3.0336 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2892   -0.7348   -0.2825 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2939   -0.5559   -1.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 25 26  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$
COVPDB1001
  Mrv2015 05262116083D          

 13 14  0  0  0  0            999 V2000
    1.3408   -0.3800    0.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4193   -0.1723    0.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8531    0.4804    2.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0399    0.7151    3.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3764    0.2987    3.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8362   -0.3584    1.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9285   -0.5977    0.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1918   -0.7948    1.8004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0310   -0.6102    2.7136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6062   -1.4395    0.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7545   -1.6670   -0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4247   -1.2679   -0.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6922   -1.5168   -1.2941 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
$$$$
COVPDB1002
  Mrv2015 05262116053D          

 17 17  0  0  0  0            999 V2000
   -4.9745    1.8063    2.4446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083    0.2801    2.5325 B   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2032   -0.5357    2.6063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5062   -0.4374    2.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1505   -1.1386    3.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9058   -1.7852    3.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138   -1.7353    2.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3359   -1.0044    1.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6049   -0.3794    1.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3887   -0.9532    0.6230 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0873    0.1000   -0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6918    1.1943   -0.1030 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9301   -0.1060   -1.0705 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6273    0.7536   -2.0011 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1339    0.4737   -1.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3644    2.2827   -1.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2427    0.2917   -3.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
$$$$
COVPDB1003
  Mrv2015 05262116053D          

 18 19  0  0  0  0            999 V2000
    8.5805    4.4854   -1.7462 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8903    3.7225   -2.8804 B   0  0  0  0  0  0  0  0  0  0  0  0
    8.7393    3.0022   -3.9307 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3220    3.7894   -3.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7432    4.3580   -4.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    4.4192   -4.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5275    3.9115   -3.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0796    3.3276   -2.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4952    3.2796   -2.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2318    2.7958   -1.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9855    2.8904   -1.2035 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7205    2.1737    0.0365 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9184    1.5729    1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951    1.3522    2.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7512    2.2125    3.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5442    1.6031    4.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9663    0.3963    3.7956 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4462    0.2541    2.5523 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 14 18  4  0  0  0  0
M  END
$$$$
COVPDB1004
  Mrv2015 05262116053D          

 16 17  0  0  0  0            999 V2000
   -1.9522   -1.6631    1.1573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9757   -1.5016   -0.0095 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0882   -2.4153   -1.2328 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0304   -0.2893   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4565    1.0321   -0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4438    2.1132   -0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8405    1.8939   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3145    0.5635   -0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4190   -0.5207   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8949    3.3263   -0.0393 S   0  0  2  0  0  0  0  0  0  0  0  0
    2.4987    4.2505    1.2126 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6006    4.1908   -1.3597 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6506    3.0973    0.0454 N   0  0  2  0  0  0  0  0  0  0  0  0
    5.3032    2.2921   -1.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9806    1.4481    0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1934    2.2560    1.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
$$$$
COVPDB1005
  Mrv2015 05262116113D          

 18 19  0  0  1  0            999 V2000
    3.7295    2.2468    2.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490    0.9570    2.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3492    0.9103    0.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2038   -0.4032    0.1056 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1178   -1.4456    0.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -1.3711    1.9893 N   0  0  1  0  0  0  0  0  0  0  0  0
    3.6384   -0.3247    2.9443 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8188   -0.4214    4.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0137   -1.4383    5.0438 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9177    0.4031    4.4594 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0421   -1.6397    1.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1255   -2.1640    2.2948 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9377   -1.0137    0.4234 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8578   -0.9705   -0.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0308    0.4756   -0.0550 S   0  0  2  0  0  0  0  0  0  0  0  0
    0.1946    1.0558    1.5355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5884    0.1851   -0.2810 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707    1.5837   -1.0958 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  2  0  0  0  0
M  END
$$$$
COVPDB1006
  Mrv2015 05262116143D          

 53 54  0  0  0  0            999 V2000
   -6.5639   -1.2651   -8.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0712    0.2288   -8.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0170    0.8166   -6.9535 P   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9878    0.6611   -5.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8265    2.6060   -7.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4398    3.2143   -8.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8348   -0.4448   -6.5830 Rh  0  0  1  0  0  0  0  0  0  0  0  0
   -1.8203    1.2377   -4.9264 P   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4279    2.6060   -5.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4200    0.6288   -4.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7976    0.2647   -5.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9676    1.7589   -3.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2782    0.8958   -2.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3774   -2.7537   -5.5866 P   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1878   -2.4026   -4.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7187   -2.6371   -4.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9662   -3.6773   -5.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9364   -3.0927   -4.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3565   -3.7090   -6.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6788   -4.0122   -7.8945 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0472   -5.2908   -8.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3411   -5.4245   -9.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0137   -5.4937  -10.8921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9808   -5.4672   -9.8690 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1999   -5.5153  -11.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -5.6419  -10.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1163   -5.5738  -11.9495 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1616   -6.4918  -12.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5156   -7.5627  -13.0075 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0514   -6.0728  -13.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5601   -4.9137  -13.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9899   -4.5941  -12.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2519   -3.5621  -11.6296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4584   -0.5626   -8.7477 P   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4160    1.0393   -9.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1527    1.8894   -9.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1381   -1.1749   -8.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3146   -2.5889   -7.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2794   -1.5422   -9.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5639   -0.9567  -10.3109 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2031   -1.6636  -11.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5184   -1.0778  -11.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5385   -1.8078  -11.7127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6118    0.2344  -12.1134 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8397    0.9055  -12.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6051    2.3778  -12.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8409    3.0711  -13.0816 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7173    2.8217  -14.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6115    1.9451  -14.9758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7501    3.7036  -13.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5249    4.4962  -12.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3508    4.1140  -12.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8423    4.6624  -11.3768 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  2  0  0  0  0
  7 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
 37 38  1  0  0  0  0
 34 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 47 52  1  0  0  0  0
 52 53  2  0  0  0  0
M  RAD  4   3   2   8   2  14   2  34   2
M  END
$$$$
COVPDB1007
  Mrv2015 05262115493D          

 37 38  0  0  1  0            999 V2000
   -1.8392   -1.0138    2.8911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966    0.2723    2.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4352    0.5160    1.5190 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4993    0.7948    0.4674 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6900    0.5103   -0.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7882    0.0502   -1.2503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966    0.6961   -1.8438 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2100    0.1396   -1.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1498   -1.3835   -1.0263 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1870   -1.7133   -0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3344   -2.3064   -2.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5473    2.0466   -2.3334 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0839    3.1546   -1.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6035    3.1050   -0.5316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1044    4.3894   -2.2665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6647    4.7661   -3.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4982    6.2343   -3.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2190    6.7771   -3.9432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0302    8.1698   -4.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1177    9.0408   -3.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    8.5165   -3.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5901    7.1226   -3.5151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4032    1.6415    1.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9440    2.7544    1.9901 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7929    1.5493    1.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5002    2.5709    1.5349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3859    0.4118    0.8777 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7708    0.3151    0.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1572   -1.1099    0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6113   -1.1628   -0.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9955   -2.5012   -1.0458 N   0  0  1  0  0  0  0  0  0  0  0  0
  -10.3410   -3.5181   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6379   -4.9039   -0.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6632   -4.8183   -1.7114 N   0  0  2  0  0  0  0  0  0  0  0  0
  -11.9653   -6.1471   -2.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3178   -3.7889   -2.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0744   -2.4106   -2.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
  3 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 31 37  1  0  0  0  0
M  END
$$$$
COVPDB1009
  Mrv2015 05262116153D          

 33 34  0  0  1  0            999 V2000
    2.1683   -2.5887   -0.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7466   -1.3143    0.1704 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4464   -1.6969    1.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6609   -0.5354   -0.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2781    0.8446   -0.4398 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2358    0.7610    0.6287 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5893    0.6810    0.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1317    0.5974   -0.6422 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3527    0.7052    1.6180 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7884    0.7330    1.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2692    0.8128    3.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495   -0.0750    3.5756 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7196    0.0393    4.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2222    1.0447    5.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2422    1.9499    5.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7733    1.8181    3.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2758    1.9038   -0.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2388    2.9103   -0.8978 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4192    1.7999    0.9079 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3727    2.7256    1.2535 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0181    2.0195    1.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4559    1.6245   -0.2823 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7102    2.8255   -1.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0304    2.5180   -1.9783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5777    1.4379   -1.2583 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7529    0.9316   -0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0619   -0.0598    0.3637 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6443    3.3182    2.6678 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7663    2.3040    3.6619 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637    4.3416    2.7145 S   0  0  2  0  0  0  0  0  0  0  0  0
    3.2452    5.1296    4.2295 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1222    5.4567    1.5649 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4709    3.4304    2.5509 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
  5 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 20 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  2  0  0  0  0
M  END
$$$$
COVPDB100
  Mrv2015 05262115473D          

 18 18  0  0  1  0            999 V2000
   -4.4041   -0.2443    4.5663 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0468    0.0033    5.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0887   -0.0283    3.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4066    0.9948    3.6903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -1.1557    3.1807 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -1.2860    1.9975 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9333   -2.7916    1.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1713   -3.5106    2.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8446   -4.2035    3.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1187   -4.8354    4.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2869   -4.7931    4.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9674   -4.1303    3.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2450   -3.4930    2.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8148   -0.5973    0.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0605   -0.6844    0.7182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1327    0.0988   -0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0834    0.1433   -0.2214 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2409    0.1877   -0.3012 N   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  6 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  2  0  0  0  0
M  CHG  2  17   1  18  -1
M  END
$$$$
COVPDB1011
  Mrv2015 05262115493D          

 37 38  0  0  1  0            999 V2000
    3.6898    1.1080   -1.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9888    0.6750   -2.2595 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1114    1.3397   -3.5242 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1975    1.9755   -4.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0590    2.4455   -5.2023 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6230    2.1666   -3.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1871    3.6498   -3.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2291    3.8710   -2.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0358    4.7697   -1.2814 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3054    3.2329   -2.3127 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1079   -0.7969   -2.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1231   -1.3692   -1.9919 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2305   -1.6398   -3.0705 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9981   -1.3455   -3.7369 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0033   -2.1397   -5.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7405   -1.6405   -2.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109   -1.1387   -3.4875 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5747   -2.4094   -1.8209 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6327   -3.0391   -1.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0056   -3.6833    0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5122   -3.7886   -0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2735   -2.7308   -1.2773 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4928   -1.5555   -0.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6699   -1.3927   -1.1835 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634   -0.6797    0.1010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6016    0.4714    0.6482 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0644    0.8866    1.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0928   -0.1559    3.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9498   -1.0692    3.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7894   -2.0577    4.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4141   -2.1368    5.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4634   -1.2436    4.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034   -0.2607    3.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5803    1.5996   -0.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5008    1.9158   -0.8752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7710    2.4349   -0.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6419    3.9852    0.2335 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
 26 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
$$$$
COVPDB1012
  Mrv2015 05262115523D          

 30 31  0  0  0  0            999 V2000
   -5.2756   10.3125   -6.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9726    9.8574   -5.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0339    8.3824   -5.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7192    7.9301   -4.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7463    6.4541   -4.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3989    6.0297   -3.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4037    4.5502   -3.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0453    4.1213   -2.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0358    2.7604   -1.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9872    2.1915   -1.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2533    2.8324   -0.9611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1906    3.5926    0.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4209    4.5147    0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3350    5.3490    1.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398    6.3165    2.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5267    7.0892    3.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7885    7.9851    3.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9127    8.6306    4.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8929    9.8818    5.0368 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1009    7.9106    6.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9866    6.5854    6.3223 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1832    6.3060    7.5661 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4587    7.4499    8.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4109    8.4649    7.3500 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    7.5828    9.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3215    8.7846   10.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5191    8.8216   11.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1595    7.7319   12.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6040    6.5869   11.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4141    6.5478   10.5456 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 20 24  4  0  0  0  0
 23 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
M  END
$$$$
COVPDB1013
  Mrv2015 05262115573D          

 25 26  0  0  0  0            999 V2000
   -2.7503   -2.5192  -10.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1371   -2.5180   -9.9112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4012   -3.3424   -8.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3465   -2.8440   -7.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6723   -3.6687   -6.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0729   -5.0034   -6.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0765   -5.5485   -7.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7593   -4.6864   -9.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4225   -6.9813   -8.2268 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9003   -7.4824   -9.3987 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9467   -7.8066   -7.2338 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7871   -7.1204   -8.2836 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5593   -3.1684   -5.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4585   -3.2968   -4.1338 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9038   -2.6873   -3.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6804   -2.2237   -3.4080 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4888   -2.5013   -4.6609 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7939   -1.6284   -2.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5383   -1.3090   -2.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5768   -0.7447   -2.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5156   -0.4077   -2.6535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7870   -0.5519   -0.7979 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1261    0.0030    0.1675 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3038   -0.9559    0.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6803    0.3378    1.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
$$$$
COVPDB1014
  Mrv2015 05262116033D          

 18 17  0  0  1  0            999 V2000
    3.0277    2.9101    0.7479 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6403    2.9262    0.4126 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1173    1.4673    0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793    1.4336    0.0517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9484   -0.0190    0.0191 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1918   -0.9371   -1.0283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8492   -0.6929    1.4502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3592    0.1048   -0.3666 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8731    3.8731    1.3713 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4239    5.1840    1.2566 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9583    3.3948    2.7755 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1080    4.0956    3.7736 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4044    3.5985    5.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1237    4.1240    6.1382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3498    3.9860    3.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9669    5.0628    3.2800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0895    2.8130    3.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6288    1.5673    3.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
$$$$
COVPDB1015
  Mrv2015 05262116113D          

 38 42  0  0  1  0            999 V2000
    9.2738   -0.8031    4.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7908    0.5390    3.8480 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3215    1.7593    4.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5672    3.0469    4.4917 N   0  0  1  0  0  0  0  0  0  0  0  0
    8.9166    4.0573    5.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6219    3.6336    3.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2409    0.6959    2.4793 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9254   -0.3146    1.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9305   -1.1110    1.1960 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7236   -2.1541    0.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9089   -2.9577   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6541   -3.9917   -0.9873 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3616   -4.6363   -0.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2207   -3.5801   -1.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4202   -2.4470   -0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3803   -1.5785    0.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6685   -0.5514    1.1629 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0740   -1.6815   -0.0821 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4699   -0.6424   -0.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3200    0.0042   -0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4096   -0.9904    0.5038 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0288   -2.1228    1.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2074   -2.7348    0.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0229   -0.8675    0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857   -1.8233    0.7796 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    0.2945    0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1921    0.3285   -0.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6094   -4.2956   -1.9363 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3087   -3.9906   -3.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2529   -4.1968   -4.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9529   -3.9105   -5.5941 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5289   -4.6854   -3.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8663   -4.9934   -2.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1685   -5.4449   -2.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5062   -5.7727   -1.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5387   -5.6827    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2402   -5.2413   -0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8884   -4.8416   -1.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
  8 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 12 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  1  0  0  0  0
 30 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 28 38  4  0  0  0  0
 33 38  4  0  0  0  0
M  END
$$$$
COVPDB1016
  Mrv2015 05262116113D          

 30 34  0  0  0  0            999 V2000
   -0.1587   -0.1767   -0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1769   -0.1911    0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9675   -1.3456    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3352   -2.4313    0.1425 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3674   -1.3856    0.1801 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2247   -0.2155    0.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4162   -0.4873   -0.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1555   -1.6474   -0.4470 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3029   -2.8375   -0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0766   -2.6357    0.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4801   -1.6959    0.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0177   -2.9504    0.0813 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2175   -3.2788    0.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9715   -2.3011    1.1360 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5745   -1.0046    1.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5248   -0.0486    1.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3297    1.3779    1.6614 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0248    1.8046    1.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0309    0.7966    0.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3300   -0.6469    0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3315    2.3248    2.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0222    3.7124    1.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9224    4.7588    2.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2065    4.4836    2.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5725    3.1614    2.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8759    2.9760    3.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3075    1.7077    3.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4368    0.6243    3.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1460    0.8124    3.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6449    2.0718    2.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 11 20  4  0  0  0  0
 15 20  4  0  0  0  0
 17 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 21 30  4  0  0  0  0
 25 30  4  0  0  0  0
M  END
$$$$
COVPDB1017
  Mrv2015 05262116013D          

 23 25  0  0  1  0            999 V2000
    5.5717   -3.7280    1.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5657   -3.1654    0.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0816   -1.7297    1.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0990   -1.1659    0.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7119    0.3165    0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5943    0.7432   -0.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9357    1.4277   -1.4567 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2585    0.4231   -0.2439 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621   -0.0595    1.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8148    0.0641    0.9275 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3857    1.1960    1.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1928    0.8351    3.5557 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0120    0.3265   -0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7717    0.5300   -1.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2258    0.3810   -1.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1588    0.6861   -2.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8981    0.8351   -3.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7135    0.7475   -2.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7856    1.0474   -4.6122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3564    0.8265   -3.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6056    0.6472   -2.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6730    0.2891   -1.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4945    0.1417   -0.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  4  0  0  0  0
  8 14  1  0  0  0  0
 13 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 14 18  4  0  0  0  0
 17 19  1  0  0  0  0
 16 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 15 23  4  0  0  0  0
M  END
$$$$
COVPDB1018
  Mrv2015 05262116123D          

 25 27  0  0  1  0            999 V2000
   -3.8606    2.7660   -4.7691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3390    1.8269   -3.8292 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1829    0.5376   -3.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2684   -0.6177   -3.7655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8743   -0.1369   -3.8023 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9286    1.3504   -4.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2178   -0.4072   -2.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2654   -1.2223   -2.4621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6737    0.1950   -1.3598 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2724   -0.0895   -0.0102 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8000   -1.4749    0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2902   -1.5172    0.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9948   -1.8679   -0.7133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3994   -1.8166   -0.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1406   -1.4594    0.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4400   -1.1390    1.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0336   -1.1620    1.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5589   -1.4504    0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2750   -0.5919   -0.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6834   -0.5973   -0.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3909   -1.4644    0.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6915   -2.3255    1.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2849   -2.3161    1.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0787    0.0634    0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2073    0.1964    0.3478 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 10 24  1  0  0  0  0
 24 25  3  0  0  0  0
M  END
$$$$
COVPDB1019
  Mrv2015 05262116123D          

 26 28  0  0  1  0            999 V2000
   -2.4338    1.6808    0.7943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6877    1.6234   -0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4531    1.0386   -0.1350 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2152    0.6613    1.0815 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2282   -0.5084    0.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6153   -1.8649    0.9681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2035   -2.5804   -0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3360   -3.8768   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4761   -4.4952    1.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0717   -3.7770    2.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4603   -2.4797    2.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0227   -5.8031    1.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3004   -6.0963    0.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8532   -7.3847    0.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1352   -8.4082    1.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8595   -8.1277    2.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3107   -6.8360    1.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6482   -9.6007    1.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1037  -10.6503    1.7664 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    1.7881    1.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4233    2.7297    1.8772 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1605    2.2756   -1.4567 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0832    1.3859   -2.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8490    1.9168   -3.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3596    2.2934   -3.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    2.7347   -2.3371 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  3  0  0  0  0
  4 20  1  0  0  0  0
 20 21  3  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
$$$$
COVPDB101
  Mrv2015 05262115413D          

 46 49  0  0  1  0            999 V2000
   -1.8510   -7.7041    4.8032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6081   -7.2504    3.3303 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3340   -7.9534    2.7713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5495   -5.6830    3.2192 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7597   -5.1195    3.7365 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9137   -3.8773    4.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9420   -3.0928    4.3804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2640   -3.4383    4.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8911   -4.3182    5.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2595   -3.8814    6.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2317   -3.9265    5.1885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5492   -3.4809    7.2816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2539   -5.1968    1.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0562   -4.8787    1.6323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1403   -5.1336    0.7579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5685   -5.2000    0.8753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1273   -4.9122   -0.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9900   -5.3595   -1.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075   -5.1023   -0.6196 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9443   -3.8877   -1.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071   -3.9803   -1.0701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5563   -2.7301   -1.4303 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8799   -1.5912   -1.9912 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8664   -1.6653   -3.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2008   -2.8935   -4.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020   -3.0540   -3.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8371   -4.2208   -4.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0784   -5.2436   -5.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3147   -5.0981   -5.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9505   -3.9295   -4.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6012   -0.1369   -1.4002 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7229    0.9937   -1.7358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0349    0.0270   -2.1046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7910    1.1364   -1.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0694    0.9255   -1.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9121    2.0123   -0.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4843    3.3275   -1.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2219    3.5523   -1.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3879    2.4624   -2.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7406   -0.2901    0.1926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1985    0.7968    0.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4096    1.9506    1.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9156    3.0331    1.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2052    2.9636    2.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9894    1.8106    2.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4787    0.7274    1.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 23 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 34 39  4  0  0  0  0
 31 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 41 46  4  0  0  0  0
M  END
$$$$
COVPDB1020
  Mrv2015 05262116123D          

 27 29  0  0  1  0            999 V2000
   -3.5471   -3.6641    2.7282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0677   -2.7832    3.7243 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.4147   -2.1729    3.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1640   -0.7971    2.8135 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7046   -0.5669    2.8452 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1577   -1.5573    3.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0986   -0.7241    1.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7254   -1.3359    0.5981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9104   -0.1059    1.2331 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3443    0.0952   -0.0698 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8050    1.4737   -0.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2915    1.5697   -0.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0108    2.1260    0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4152    2.0893    0.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1319    1.5119   -0.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4209    0.9897   -1.7468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0149    1.0191   -1.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5440    1.4581   -0.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2988    2.1602   -1.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7047    2.1282   -1.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3730    1.3852   -0.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6210    0.6671    0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2150    0.7080    0.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6743    1.3675   -0.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8219    1.3535   -0.4941 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0227    0.0317    0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1659   -0.0246    0.1316 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 21 24  1  0  0  0  0
 24 25  3  0  0  0  0
 10 26  1  0  0  0  0
 26 27  3  0  0  0  0
M  END
$$$$
COVPDB1021
  Mrv2015 05262116123D          

 27 29  0  0  1  0            999 V2000
   -3.5769   -3.2939    3.3381 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0796   -2.2832    4.1297 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.4099   -1.7383    3.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1405   -0.4348    2.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6792   -0.2167    2.9334 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1460   -1.0635    4.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0767   -0.5442    1.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6726   -1.3188    0.8274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9178    0.0744    1.2483 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3554    0.0896   -0.0731 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8145    1.3763   -0.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2977    1.4708   -0.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0161    2.2004    0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4201    2.1920    0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1367    1.4640   -0.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4238    0.7669   -1.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0179    0.7681   -1.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5481    1.4111   -0.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3288    1.9485   -1.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7337    1.8954   -1.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3778    1.2961   -0.7352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6013    0.7454    0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1971    0.8082    0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6784    1.2577   -0.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8246    1.2317   -0.6197 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0108    0.0459    0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1553    0.0177    0.1349 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 21 24  1  0  0  0  0
 24 25  3  0  0  0  0
 10 26  1  0  0  0  0
 26 27  3  0  0  0  0
M  END
$$$$
COVPDB1022
  Mrv2015 05262115423D          

 10  9  0  0  1  0            999 V2000
   -1.1058   -2.9682   -2.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1942   -3.2726   -1.2932 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3496   -3.2474   -2.2010 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4132   -2.3307   -0.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3788   -2.7911    1.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6734   -0.8830   -0.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9896   -0.0483    0.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2717    1.3607    0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5197    1.8652    0.6851 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3627    2.1074    0.1194 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
$$$$
COVPDB1023
  Mrv2015 05262116123D          

 28 30  0  0  1  0            999 V2000
    1.9040   -0.0037    0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0881   -0.1042    0.1435 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    1.6408    0.1887 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0051    1.7723    0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4110    2.1218   -1.2231 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1960    2.2189   -2.0575 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0488    2.4486   -1.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0210    1.0209   -2.9188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -0.0241   -2.6743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2040    1.0862   -4.0087 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1285    0.0984   -5.0507 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1466    0.4071   -6.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5421    0.4850   -5.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0968    1.7343   -5.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3620    1.8049   -4.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1041    0.6296   -4.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5740   -0.6164   -4.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3049   -0.6875   -5.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3421    0.7023   -3.7849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5458    0.3178   -4.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7683    0.3984   -3.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8040    0.8557   -2.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6001    1.2251   -1.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3798    1.1534   -2.4454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9380    0.9438   -1.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9378    1.0318   -1.1930 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1525    0.0911   -5.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228    0.0884   -5.9502 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 16 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 22 25  1  0  0  0  0
 25 26  3  0  0  0  0
 11 27  1  0  0  0  0
 27 28  3  0  0  0  0
M  END
$$$$
COVPDB1024
  Mrv2015 05262116133D          

 22 23  0  0  0  0            999 V2000
   -1.7604   -1.2182    1.4390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5107   -1.1624    0.5577 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0608    0.2581   -0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0328    1.3010   -0.0429 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4718    1.9065    1.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3003    2.9383    0.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3440    2.8548   -0.6855 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897    1.8735   -1.0664 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9234    3.9438    1.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    5.2724    0.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4746    6.3107    1.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1152    6.0316    2.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1828    4.7096    3.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5591    3.6750    2.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8740    4.4471    4.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4485    5.4402    5.3552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0053    3.2873    5.0820 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4010   -2.4039    0.5628 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7470   -2.9208   -0.9025 P   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5629   -2.9944   -1.7904 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3242   -4.3913   -0.7691 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7506   -2.0538   -1.5276 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
$$$$
COVPDB1025
  Mrv2015 05262116073D          

 19 21  0  0  0  0            999 V2000
    3.3095   -3.1831    0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260   -2.7293    0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9068   -1.3519    0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8746   -0.4301    0.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5656   -0.8893    0.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2551   -2.2715    0.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9593   -2.7121    0.8546 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6148   -3.8453    1.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1297   -4.9174    0.8333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0756   -4.4224   -0.1532 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9357   -3.0609   -0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1609   -2.0604    0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0317   -5.2563   -0.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8482   -4.7362   -1.5536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1809   -6.6190   -0.5767 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1663   -7.3875   -1.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9158   -8.6867   -0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7926   -8.6581    0.0345 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -7.4235    0.0781 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 15 19  4  0  0  0  0
M  END
$$$$
COVPDB1026
  Mrv2015 05262115523D          

 41 44  0  0  1  0            999 V2000
   -4.2297   -3.3009    1.1229 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3470   -3.7049    0.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3289   -4.7454   -0.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2029   -5.3104   -0.7252 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5320   -5.1815   -0.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7558   -4.5946   -0.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8653   -5.0166   -1.1374 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7755   -3.5573    0.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9135   -3.0184    0.7165 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5696   -3.0945    0.9397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5906   -2.0649    1.8498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4845   -0.7699    1.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5215    0.3012    2.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4212    1.1707    2.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5127    0.3739    3.3399 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6644    1.6009    4.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5939    1.6400    5.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7519    2.8307    6.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6408    2.8412    7.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1136    0.3277    2.8215 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0484   -0.5324    3.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0800    0.0970    2.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5523    1.1327    1.5694 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8231    1.2587    1.8542 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6173   -0.2586    2.4315 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4333   -1.8112    2.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0638    0.4977    3.6507 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5750    0.1614    3.8425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0986    2.0501    3.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0556    0.2129    1.1711 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2825   -0.4489   -0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5332    0.1019   -1.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2067    1.3434   -1.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6362   -0.6273   -1.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780   -0.1498   -2.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0302    1.0677   -3.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9399    1.8286   -2.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7318    1.5089   -4.5197 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356    2.6670   -5.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3717    3.4653   -4.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6240    3.0419   -3.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
  2 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 20 24  4  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  4  0  0  0  0
 32 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 33 37  4  0  0  0  0
 36 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 37 41  4  0  0  0  0
M  END
$$$$
COVPDB1027
  Mrv2015 05262116123D          

 20 21  0  0  0  0            999 V2000
    4.5891    3.5017   -2.3196 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3781    3.1926   -1.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0738    3.8144   -0.1801 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4088    2.2335   -0.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7632    1.4227   -1.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7746    0.5033   -1.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3770    0.3856    0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3186   -0.5079    0.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5573   -1.7367    1.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5074   -2.6156    1.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8131   -2.2941    0.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7976   -3.1165    1.1969 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0550   -1.0833    0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9975   -0.1914    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    1.1849    1.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0388    2.0770    0.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    1.2359    2.8626 S   0  0  2  0  0  0  0  0  0  0  0  0
    1.0116   -0.2097    3.4701 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4049    2.3242    3.0702 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8160    1.6675    3.7709 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
  8 14  4  0  0  0  0
  7 15  4  0  0  0  0
 15 16  4  0  0  0  0
  4 16  4  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  2  0  0  0  0
M  END
$$$$
COVPDB1028
  Mrv2015 05262116113D          

 47 50  0  0  1  0            999 V2000
    3.3108    0.7610   -0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7572    0.7957   -0.9189 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1939   -0.6326   -0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414    1.3871   -2.3101 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9496    2.6498   -2.6384 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9177    3.8852   -2.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4560    4.7493   -2.7818 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3741    4.3618   -0.7364 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4358    4.3648    0.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6031    5.2342    0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7331    6.5379    0.6245 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2247    7.1661   -0.0471 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6047    5.7083   -0.9461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6137    4.8229   -0.7071 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0253    3.9637   -0.4324 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4978    3.4701    0.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1949    2.9527    1.6346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9421    3.6484    0.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7470    2.3254    1.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655    2.5768    1.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2175    2.4323    0.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5427    2.7460    0.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8389    3.1821    2.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8102    3.2948    3.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4829    3.0014    2.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1005    1.3605   -2.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7005    0.2726   -2.8690 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7522    2.5498   -3.0536 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9691    2.8520   -3.8450 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0396    3.5890   -2.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1715    4.2723   -3.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2265    4.9875   -2.8026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0734    5.7972   -3.6198 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1111    6.5144   -3.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6819    7.2945   -4.0984 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5677    6.4833   -2.0154 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4592    3.6667   -4.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5611    3.2193   -6.1517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7883    4.8953   -4.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8422    5.6609   -3.6717 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0377    6.7520   -3.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0473    7.6423   -2.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9827    8.6966   -2.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8199    8.8641   -3.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7136    7.9969   -4.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769    6.9547   -4.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3601    5.6719   -5.8741 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
  4 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 29 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 41 46  4  0  0  0  0
 46 47  4  0  0  0  0
 39 47  4  0  0  0  0
M  END
$$$$
COVPDB1029
  Mrv2015 05262115493D          

 16 15  0  0  1  0            999 V2000
    2.9901    2.8435    0.8721 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6281    2.8629    0.4379 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0770    1.4191    0.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3063    1.3939    0.1560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9909   -0.0481    0.0953 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2317   -0.9536   -0.9609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9068   -0.7435    1.5162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3959    0.0993   -0.3020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5114    3.4701   -0.9963 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2881    2.7087   -1.9231 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9601    4.9580   -1.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8686    5.5675   -2.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9346    5.7732   -3.0216 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6507    5.9610   -2.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6467    6.6263   -4.1669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4537    5.7286   -2.4466 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
$$$$
COVPDB102
  Mrv2015 05262115403D          

 42 44  0  0  1  0            999 V2000
   -5.1038   -3.0167   -2.0295 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1113   -2.1778   -1.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2442   -1.7713   -0.5859 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9475   -1.7898   -0.5051 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7860   -0.8351    0.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2991   -0.4283    0.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1146    0.7954    1.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6322    1.2598    1.8165 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1042    0.1607    2.3893 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1419   -0.2187    3.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2557    0.5411    4.6154 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5361   -1.6095    4.0461 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6858   -2.4039    4.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1015   -3.2175    5.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0352   -2.3229    6.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5603   -1.7285    5.0592 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9109   -1.4038    4.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6179   -1.5029    5.9860 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734   -0.9704    3.7362 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4482   -1.7759    2.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4044   -3.3372    2.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6729   -4.0270    1.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7142   -3.5519    0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0157   -4.2067   -0.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2884   -5.3757   -0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2359   -5.8711    0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9150   -5.1977    1.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5024    0.4310    3.4887 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    1.4457    4.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5763    1.1978    5.3482 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8899    2.8682    3.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7116    3.1067    2.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5953    4.6111    1.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2215    4.9062    0.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8195    4.4274   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6223    5.1995    0.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7691    4.5866    0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6135    4.4741    1.4226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4589    3.5983    2.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2393    3.7215    3.4254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4911    2.5735    2.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5340    2.8269    3.1903 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
  8 41  1  0  0  0  0
 41 42  2  0  0  0  0
M  END
$$$$
COVPDB1030
  Mrv2015 05262116123D          

 12 13  0  0  1  0            999 V2000
   -0.1428    0.3722    1.1658 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3410   -0.1539   -0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2598    0.6051   -1.2825 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0938    2.1216   -1.2141 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0401    2.7444   -2.2366 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4221    2.9435   -2.3166 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1072   -0.0595   -2.6550 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9004    0.2498   -3.6204 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4902    0.3839   -3.2145 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5386   -0.0585   -2.3526 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5748    1.9213   -3.4356 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9243    2.2960   -3.7060 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$
COVPDB1031
  Mrv2015 05262116113D          

 32 35  0  0  0  0            999 V2000
    6.8007   -8.0696   -1.6085 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5192   -8.2751   -0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5262   -8.0614    0.5753 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3903   -8.2513    1.9092 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1610   -8.6862    2.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0714   -8.8824    1.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8629   -9.2886    2.0670 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0911   -8.2675    2.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1460   -7.6013    1.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3038   -6.6212    2.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3824   -6.3142    3.6743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3116   -6.9717    4.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2699   -6.6863    5.8389 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793   -6.7076    6.7566 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4795   -6.8215    6.4120 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0013   -6.5520    8.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8355   -6.8899    8.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1676   -7.9421    3.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2525   -8.7155    0.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1802   -9.0063   -0.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6188  -10.3053   -0.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4553  -10.5725   -1.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8402   -9.5497   -2.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6846   -9.8069   -2.9267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4224   -9.5919   -2.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0289   -8.3179   -2.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1854   -8.0993   -1.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7426   -9.1549   -0.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1491  -10.4306   -0.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9922  -10.6481   -1.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4429   -8.2751   -2.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6075   -8.0053   -1.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 18  4  0  0  0  0
  8 18  4  0  0  0  0
  6 19  4  0  0  0  0
  2 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 23 31  4  0  0  0  0
 31 32  4  0  0  0  0
 20 32  4  0  0  0  0
M  END
$$$$
COVPDB1032
  Mrv2015 05262115573D          

 29 30  0  0  0  0            999 V2000
    7.7776    2.8127    6.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0085    2.4564    5.3080 N   0  0  2  0  0  0  0  0  0  0  0  0
    7.3011    3.3787    4.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5493    2.2533    5.5841 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7860    1.6047    4.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1267    1.0354    4.8851 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2388    0.5889    3.0314 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9535   -1.0338    2.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -1.6278    1.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9269   -2.9189    0.8569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8204   -3.4217    1.5827 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5661   -3.5660   -0.3290 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2737   -4.7784   -0.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4334   -5.7775   -1.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7237   -5.0621   -2.7805 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9030   -6.0247   -3.4457 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7833   -4.0220   -2.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5924   -2.9872   -1.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6454   -4.4997   -3.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2908   -3.3659   -4.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1805   -2.7871   -5.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4491   -3.3496   -5.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4727   -2.5342   -6.8480 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8190   -4.5470   -5.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8966   -5.0989   -4.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1388   -5.2092   -5.3431 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1717   -4.3725   -4.9912 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2611   -5.5340   -6.6732 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3519   -6.3824   -4.6543 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  1  0  0  0  0
 22 24  4  0  0  0  0
 24 25  4  0  0  0  0
 19 25  4  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
$$$$
COVPDB1033
  Mrv2015 05262116033D          

  8  7  0  0  0  0            999 V2000
    0.4615   -2.9572   -1.1953 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2593   -2.6537    0.0012 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4877   -3.0005    1.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9171   -3.8399    2.0379 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6765   -1.2244   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9076   -0.9792   -0.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7462   -0.1852   -0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0408    1.1221   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
$$$$
COVPDB1034
  Mrv2015 05262116143D          

 28 30  0  0  1  0            999 V2000
   -1.2301   -2.2582   -0.2529 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2226   -1.2780    0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5247   -0.0424    0.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5356    0.8946    1.3390 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0443    2.2111    1.8289 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0037    2.0682    2.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6294    3.4375    3.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8692    4.2160    4.1359 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5396    3.6217    5.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5989    3.1615    6.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8226    4.0129    6.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4915    1.9011    6.9942 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2474    0.7218    6.6730 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3606   -0.5638    6.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7938   -1.7198    7.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9127   -2.8196    7.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2115   -3.8988    8.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3883   -3.8861    9.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3073   -2.8116    9.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4644   -2.8240    9.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7348   -3.8516   10.8130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2864   -1.8804   10.0175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0265   -1.7487    8.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0012   -0.8012    8.0353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4342    0.5958    7.7951 B   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1711    1.8245    8.3316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9024    4.3864    2.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2814    3.0467    2.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 19 23  4  0  0  0  0
 15 23  4  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 27  1  0  0  0  0
 27 28  1  0  0  0  0
  5 28  1  0  0  0  0
M  END
$$$$
COVPDB1035
  Mrv2015 05262116143D          

 22 24  0  0  1  0            999 V2000
    2.1379   -3.2347   -0.5752 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5365   -3.3612   -1.9732 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.8150   -4.6110   -2.8289 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -4.3200   -4.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288   -3.3991   -4.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083   -2.6991   -3.9542 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5650   -2.1887   -2.5955 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8036   -1.7970   -1.4518 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0821   -0.7433   -0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1676   -0.1963    0.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5428    1.1642    0.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5910    1.6772    1.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2764    0.8384    2.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9051   -0.5120    2.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8587   -1.0267    1.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0953   -3.1899   -6.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380   -3.8788   -6.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9393   -4.7671   -6.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176   -4.9907   -4.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8863   -5.8668   -4.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7687   -6.5674   -5.1236 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0041   -6.0275   -3.1330 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
  5 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
  4 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
$$$$
COVPDB1036
  Mrv2015 05262116133D          

 15 16  0  0  0  0            999 V2000
    8.4290    1.0605    3.9320 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1650    0.9087    2.6505 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1452    0.9729    1.8323 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8805    0.6712    2.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6823    0.6911    2.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5060    0.3535    2.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1889    0.2876    2.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8402    0.6402    4.3630 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1293   -0.0755    1.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3639   -0.3668    0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2376   -0.6992   -0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5972    0.8236   -1.1190 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6830   -0.3052    0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7204    0.0572    0.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4315    0.2350    0.5544 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  4  0  0  0  0
 13 14  4  0  0  0  0
  6 14  4  0  0  0  0
 14 15  4  0  0  0  0
  4 15  4  0  0  0  0
M  END
$$$$
COVPDB1037
  Mrv2015 05262116133D          

 19 20  0  0  0  0            999 V2000
    7.0681   -2.7350   -8.9081 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4003   -1.4669   -9.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9549   -1.1137  -10.1421 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1701   -0.5346   -8.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4172   -0.6827   -6.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3451    0.4460   -6.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    1.5542   -6.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7913    1.1088   -8.0188 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6045    0.4759   -4.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2075    0.9046   -3.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4526    1.0082   -2.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0921    0.6557   -2.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4732    0.1767   -3.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1432   -0.1390   -3.5285 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4758   -1.1254   -4.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0935   -1.9743   -4.8903 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0969   -1.2514   -4.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7470   -0.2631   -3.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2388    0.1043   -4.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 19  4  0  0  0  0
  9 19  4  0  0  0  0
M  END
$$$$
COVPDB1038
  Mrv2015 05262116073D          

 16 18  0  0  0  0            999 V2000
   -1.7914   -0.8204    1.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9201   -1.2569    0.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3580   -0.5408   -0.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6740    0.6196   -0.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5410    1.0768   -0.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1179    0.3386    0.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7089    2.1551   -0.4667 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3570    2.0997    0.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0675    0.9199    1.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8377    3.1622   -1.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8619    3.1744   -2.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0673    4.1814   -1.6554 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0554    5.1780   -2.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0867    5.9499   -2.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8493    5.3992   -1.5287 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    4.3657   -1.0681 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 12 16  4  0  0  0  0
M  END
$$$$
COVPDB1039
  Mrv2015 05262116033D          

 12 11  0  0  0  0            999 V2000
    3.3015   -2.0668    1.1111 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7993   -0.8524    1.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0600   -0.8087    1.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0406    0.3072    1.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6273    1.4188    1.0877 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642    0.2990    0.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9450    1.3692    0.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3806    1.4955    0.1828 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3509    0.2472   -0.0564 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7307   -0.7207   -1.1454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5398   -0.5351    1.3081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6559    0.7342   -0.5173 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
$$$$
COVPDB103
  Mrv2015 05262115593D          

 16 17  0  0  0  0            999 V2000
    0.2570    3.8730   -2.5545 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4952    4.0627   -2.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1135    4.2725   -3.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8363    4.5744   -3.4107 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5876    4.3271   -1.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9005    4.4281   -0.6421 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2961    4.0703   -1.4703 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7555    3.8236   -0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1594    2.4652   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2008    2.2929    0.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7558    1.0063    0.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0411   -0.1354    0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4647   -1.3309    0.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9048   -2.3873    0.4270 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3974    0.0271   -0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9512    1.3156   -0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  3  0  0  0  0
 12 15  4  0  0  0  0
 15 16  4  0  0  0  0
  9 16  4  0  0  0  0
M  END
$$$$
COVPDB1040
  Mrv2015 05262116133D          

 14 14  0  0  0  0            999 V2000
   -6.3256   -3.3705   -0.6252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3917   -2.9273    0.5035 B   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8548   -1.8448    1.4818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9199   -3.4948    0.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8212   -2.6287    0.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5155   -3.1398    0.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3047   -4.5171    0.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3900   -5.4220    0.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1107   -6.7904    1.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0087   -7.7839    1.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6921   -9.1185    1.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4157   -9.5717    1.4318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6069   -9.9645    1.5018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7019   -4.8736    0.7789 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  8 14  4  0  0  0  0
  4 14  4  0  0  0  0
M  END
$$$$
COVPDB1041
  Mrv2015 05262115413D          

 31 35  0  0  1  0            999 V2000
    0.6663   -1.0969   -0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4001   -0.1656    0.1517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4943    0.2942    1.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4984    1.4779    1.5814 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7207    1.0359    0.9100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7410    0.3491    1.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6494   -0.1962    0.8699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7089    0.3078    2.9373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7742    1.0665    3.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8292    2.0528    3.0291 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6552    3.3772    2.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4157   -0.3960    3.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8876   -0.1175    5.1360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8653    0.7607    4.9526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9461    1.3332    5.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1233    1.0677    7.0576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8597    2.1046    5.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7252    2.3682    4.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5087    3.0589    3.5342 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5480    2.0612    3.4946 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7904    2.1440    2.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621    3.1634    2.3015 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6952    0.9959    3.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9696    4.2583    4.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985    4.1907    5.9066 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8669    5.1144    6.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1648    2.6821    6.2585 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0937    2.6928    7.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1720    3.7304    8.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3171    4.5666    7.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1235    5.5235    6.9465 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 17 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
$$$$
COVPDB1042
  Mrv2015 05262115523D          

 27 29  0  0  0  0            999 V2000
   -5.7490    8.3081    2.8928 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0424    7.7212    1.6844 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9947    8.4815    1.0498 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5968    6.5006    1.9954 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8517    7.6031    0.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7952    8.5428    0.8518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6885    8.4391   -0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6213    7.3958   -0.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6596    6.4429   -1.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7668    6.5629   -0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6094    5.3748   -1.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7251    4.0372   -1.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7084    3.0086   -2.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7286    1.5833   -2.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2699    1.0989   -1.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1464   -0.4045   -1.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7395   -0.9083   -1.2829 N   0  0  2  0  0  0  0  0  0  0  0  0
    0.1714   -0.7422   -2.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6100   -1.2556   -2.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5975   -2.7231   -1.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6790   -2.8721   -0.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7418   -2.3203   -0.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5820    3.3397   -3.7908 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4635    4.6282   -4.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4721    5.6281   -3.2802 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3351    4.8967   -5.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2191    5.1307   -6.5747 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 13 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 11 25  4  0  0  0  0
 24 26  1  0  0  0  0
 26 27  3  0  0  0  0
M  END
$$$$
COVPDB1043
  Mrv2015 05262116113D          

 13 12  0  0  1  0            999 V2000
    2.7116   -0.4813   -3.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7133   -1.5552   -2.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8887   -1.2988   -1.4507 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2159   -1.9520   -0.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7556   -1.2537    1.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7222   -0.6474   -1.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6816    0.7949   -1.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2846   -1.3799   -1.9187 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7902   -1.0072   -2.1773 P   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5582   -2.2026   -2.5697 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8802    0.0600   -3.2943 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4031   -0.4043   -0.8219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7600    0.0614   -0.9159 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
$$$$
COVPDB1044
  Mrv2015 05262116133D          

 42 47  0  0  0  0            999 V2000
    5.3017  -14.7916   -2.8798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5004  -13.6252   -3.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7069  -12.9884   -2.4017 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9460  -11.8977   -2.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2444  -11.2944   -1.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4481   -9.9292   -1.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7668   -9.3304   -0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8733  -10.0877    0.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6529  -11.4415    0.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3356  -12.0431   -0.8229 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9516  -11.4156   -4.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7546  -12.0476   -4.9312 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5276  -13.1179   -4.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2401  -13.6263   -5.5132 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1709  -10.3138   -4.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7497   -9.2730   -5.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0071   -8.1250   -5.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6339   -7.9400   -5.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1739   -6.6134   -5.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4321   -5.8656   -4.1451 N   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4372   -4.7676   -4.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7020   -3.9622   -3.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3650   -3.4037   -2.4480 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5853   -4.6042   -2.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8344   -5.3959   -3.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4321   -2.5629   -1.2686 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5132   -1.6612   -0.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483   -1.2980   -1.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5630   -0.3213   -0.8459 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8096    0.0189   -1.2905 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2779    0.0609   -2.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5041   -0.0250   -3.5584 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6268    0.2296   -2.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6141   -0.1278   -2.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1145    0.2872    0.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8770   -0.0701    0.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1093   -1.0574    0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0527   -1.6115    0.6387 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3753   -2.5236   -0.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4082   -3.2239   -0.2084 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0661   -9.0662   -4.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8032  -10.2178   -4.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  4 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  2 13  4  0  0  0  0
 13 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 29 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 27 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 26 39  4  0  0  0  0
 39 40  2  0  0  0  0
 18 41  4  0  0  0  0
 41 42  4  0  0  0  0
 15 42  4  0  0  0  0
M  STY  2   1 DAT   2 DAT
M  SAL   1  1  12
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  SAL   2  1  38
M  SDT   2 MRV_IMPLICIT_H                                        
M  SDD   2     0.0000    0.0000    DR    ALL  0       0  
M  SED   2 IMPL_H1
M  END
$$$$
COVPDB1045
  Mrv2015 05262116113D          

 12 11  0  0  1  0            999 V2000
    3.1820   -0.6245   -2.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8624   -1.4493   -1.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828   -0.9658   -0.5744 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7961   -1.2950    0.8392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0056   -0.3587    1.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6887   -0.4045   -1.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6260    1.0452   -1.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2369   -1.2242   -1.4845 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6503   -1.0200   -2.1574 P   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7380   -0.1554   -1.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4769   -0.2399   -3.4910 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2312   -2.3412   -2.4718 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
$$$$
COVPDB1046
  Mrv2015 05262115493D          

 19 20  0  0  1  0            999 V2000
    1.1761   -5.0220    3.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4548   -4.5970    1.8569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6994   -5.1474    0.7565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4539   -3.5954    1.9749 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1995   -3.0155    0.9022 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1629   -1.9181    1.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3457   -0.7437    1.4488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5687   -0.8613    0.3905 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3461   -2.1603    0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4476   -2.5947   -0.7802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0150    0.2838   -0.2866 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9939    1.5041   -0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9457    2.0504   -1.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3455    0.9426   -2.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2606    0.8843   -3.7401 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624    0.0012   -1.6798 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3009    0.6049    0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4569    0.4288   -0.3610 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3731    1.0275    1.4994 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
$$$$
COVPDB1047
  Mrv2015 05262115553D          

 18 19  0  0  1  0            999 V2000
   -1.6885    3.7023   -4.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3610    2.3042   -3.7950 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0416    2.3060   -3.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    1.8143   -2.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0503    0.8035   -1.9390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7901    0.1347   -1.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333    0.2785   -0.9320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1315   -0.6827   -0.1502 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7405   -0.9801   -0.0033 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1693   -1.8892    1.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5236   -1.4542    0.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6379   -1.7134    1.3772 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1476    0.1773    0.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3332    1.3077    1.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5119    2.3957    1.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8557    2.3668    0.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3527    1.2506    0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5065    0.1628   -0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
M  END
$$$$
COVPDB1048
  Mrv2015 05262115553D          

 19 21  0  0  1  0            999 V2000
    0.3115    1.7675   -2.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8269    2.3098   -3.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5992    1.1805   -4.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    0.0616   -4.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7539    0.7253   -2.8354 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9341   -0.2244   -1.7792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0765   -0.5888   -1.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2016   -0.1484   -1.4623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9364   -1.4281   -0.0754 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7692   -2.0051    0.5092 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7196   -2.5891    1.5977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7776   -1.9451    0.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0161   -1.8683    0.9841 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583   -1.0022    0.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1050    0.2077    1.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590    1.1887    1.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    0.9685    1.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5891   -0.2381    0.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6213   -1.2142    0.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
M  END
$$$$
COVPDB1049
  Mrv2015 05262116133D          

 21 22  0  0  0  0            999 V2000
    1.6249    0.1024   -0.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3706   -0.2068    0.3015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    0.5525    1.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1567    1.6489    1.6014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5153    0.1120    1.7352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1509   -0.9971    1.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3698   -1.5105    1.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4217   -1.6386    0.9435 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5978   -2.2997    1.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7402   -2.8223    2.3153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6532   -2.4197    0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9082   -3.0075    0.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1974   -3.4546    1.6763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8943   -3.1089   -0.3800 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5061   -1.9633   -1.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5468   -2.0841   -2.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7718   -2.6590   -1.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3525   -1.5936   -3.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4814   -1.9767   -4.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8743   -1.8728   -3.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9439   -2.7943   -2.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  2  0  0  0  0
 12 14  4  0  0  0  0
 11 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 14 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 21  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  14
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB104
  Mrv2015 05262115583D          

 32 33  0  0  0  0            999 V2000
   -1.9799    1.8744    3.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7697    2.8995    2.5942 N   0  3  1  0  0  0  0  0  0  0  0  0
   -3.0394    3.7130    2.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    3.8373    2.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4974    2.2324    1.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2253    1.3522    1.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1604    0.4667   -0.4494 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -0.3270   -0.4369 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7160   -1.5577    0.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0433   -2.3417    0.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0987   -3.3450    2.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2555   -4.2547    1.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -3.7464    1.9840 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2195   -5.6065    1.8581 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1008   -6.4996    1.9323 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8872   -6.8995    3.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1111   -8.2284    3.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7331   -9.2284    2.7467 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5785   -8.9793    1.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4049   -7.7096    0.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5359  -10.2574    3.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9562  -11.1440    2.4395 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0072  -10.3318    4.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0376  -11.3319    4.7960 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5133  -11.3469    6.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5758  -10.4868    6.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0445  -10.4408    7.7499 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4545  -11.2587    8.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9990  -11.1823   10.3334 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4106  -12.1385    8.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9443  -12.1936    7.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6927  -13.2656    6.6561 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  1  0  0  0  0
 28 30  4  0  0  0  0
 30 31  4  0  0  0  0
 25 31  4  0  0  0  0
 31 32  1  0  0  0  0
M  CHG  1   2   1
M  END
$$$$
COVPDB1050
  Mrv2015 05262115553D          

 20 22  0  0  1  0            999 V2000
    0.5981    1.0194   -3.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9932    1.8851   -4.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0243    2.6168   -4.9561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3369    2.4799   -4.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7313    1.6105   -3.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7623    0.8715   -2.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0096    0.0027   -1.8580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1303   -0.4297   -1.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2881   -0.0753   -1.5318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9265   -1.2730   -0.1728 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7264   -1.8330    0.3622 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6362   -2.5129    1.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7308   -1.8627    0.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9695   -1.8548    0.8915 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2906   -0.8461    0.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6635   -1.0464    0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6318   -0.1168    0.9822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2458    1.0241    1.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8886    1.2387    1.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0814    0.3153    1.5663 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
M  END
$$$$
COVPDB1051
  Mrv2015 05262116133D          

 25 26  0  0  0  0            999 V2000
    3.4134   -5.5608    5.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8530   -4.8735    3.8414 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0447   -5.0643    3.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8791   -5.8986    3.6341 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -4.2566    2.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2737   -3.6845    1.3636 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9742   -3.7124    0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7685   -4.2483   -0.7855 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8355   -3.0993   -0.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8112   -2.6731    0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6845   -1.9180   -0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9859   -0.5483    0.0088 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2324    0.5379   -0.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8858    0.3618   -0.8602 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7239    1.8542   -0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1053    3.0060   -0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3367    2.9614   -0.2503 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4098    4.2306    0.2502 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002    2.0697    0.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6221    3.3466    0.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7240    4.4416    0.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0758    3.5087    0.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5699    4.9681    0.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6192    5.9487    1.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1641    5.8293    0.8166 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  2  0  0  0  0
 16 18  4  0  0  0  0
 15 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 18 21  4  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 25  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  18
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1052
  Mrv2015 05262116003D          

 18 19  0  0  0  0            999 V2000
    0.8746   -0.8007   -0.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6801    0.6153    0.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7786    1.4963    0.1242 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8333    1.7683    0.9121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0583    1.3061    2.0553 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6259    2.6646    0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0972    3.0076   -0.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9347    2.2457   -0.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0960    2.2256   -1.9252 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6228    3.9568   -1.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7784    4.7279   -1.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2791    5.7006   -2.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6394    5.9402   -3.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4956    5.2003   -4.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0221    4.2139   -3.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8499    5.4557   -5.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2779    6.3260   -6.0503 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7461    4.8039   -5.6733 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
$$$$
COVPDB1053
  Mrv2015 05262116113D          

 13 14  0  0  1  0            999 V2000
    4.3575   -1.8469    2.5462 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7526   -0.6422    2.0783 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1656   -0.4367    0.5996 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6428    0.8010    0.0054 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1305   -0.4789   -0.5256 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6427   -0.8447   -0.2142 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4615   -1.4683    1.2093 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9042   -2.8269    1.1867 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2142   -0.6767    2.3152 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7096    0.6579    2.3881 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6794    0.2595   -0.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0652    1.5055   -0.8495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5534    0.0557   -0.3959 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
$$$$
COVPDB1054
  Mrv2015 05262116133D          

 14 14  0  0  1  0            999 V2000
    1.6176    0.0537    0.0817 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.1530   -0.0590    0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4881   -0.0711    1.5014 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1069    1.1694    2.1086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0518   -0.0670    1.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7085   -1.4350    1.0669 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1403   -2.5862    1.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5887   -2.6277    2.0646 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0024   -3.1423    0.8729 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0111   -1.2363    2.4246 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3130   -0.9432    3.7867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7075   -1.7033   -0.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1613   -2.8147   -0.9429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2532   -0.8962   -1.1819 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  CHG  1   1   1
M  END
$$$$
COVPDB1055
  Mrv2015 05262115423D          

  9  8  0  0  0  0            999 V2000
   -0.2527   -1.6271   -2.7537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2357   -0.5848   -1.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4570    0.4187   -2.1729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9982   -0.6444   -0.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0588   -0.7734    0.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7274   -0.9145    1.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9779   -0.8941    2.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966   -1.0955    3.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6531   -1.2459    4.2825 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
$$$$
COVPDB1056
  Mrv2015 05262115513D          

 25 25  0  0  1  0            999 V2000
   -3.4714    4.1647   -1.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4023    3.0656   -2.0728 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9809    3.6514   -1.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7100    1.7532   -1.2596 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6289    2.0419    0.1391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8723    0.4585   -1.6090 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5152    0.6194   -1.2002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1981    0.0327   -0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9304    0.1431    0.4908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3309   -0.6975    0.5343 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9545   -2.0483    1.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2656   -0.7727   -0.7104 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0805   -2.0152   -1.4028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9746    0.1527   -3.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9707    0.2295   -3.8183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5173   -0.3097   -3.7856 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2029   -0.5260   -5.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4993   -0.8972   -6.3421 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9606   -2.1834   -5.8944 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2512   -2.5825   -5.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4320   -1.7295   -5.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4219   -3.7660   -5.3499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2612   -0.9001   -7.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3713   -2.0244   -8.5543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9536    0.1611   -8.3947 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
$$$$
COVPDB1057
  Mrv2015 05262115573D          

 39 39  0  0  1  0            999 V2000
    1.2208   -1.9520   -4.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5824   -2.7192   -5.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5168   -4.0353   -6.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7722   -5.2964   -5.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6036   -6.3431   -5.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8133   -7.5656   -4.9018 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6788   -8.4352   -5.6615 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8074   -9.7744   -5.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7058  -10.4097   -6.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9377  -10.4051   -4.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -9.7496   -4.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388   -8.3668   -4.4193 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3690   -8.3791   -5.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2064   -3.8960   -7.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0202   -5.0305   -8.3634 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9678   -4.8821   -9.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5295   -5.1661   -8.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3840   -5.5199   -7.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7179   -5.5902   -7.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6115   -5.9210   -6.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6533   -6.8947   -7.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5173   -5.3524   -5.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4005   -5.5423   -4.5211 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8628   -6.6875   -3.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7366   -4.2799   -3.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9465   -4.1445   -3.4536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8036   -3.1460   -3.4126 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5044   -1.7534   -3.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9245   -3.3152   -2.1189 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2531   -4.5722   -2.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5819   -3.0507   -0.7139 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6957   -4.0752   -0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381   -2.9906    0.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3857   -2.0748    0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9422   -2.6969    0.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6286   -0.7479    0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2385    0.3203   -0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2719    1.5762   -0.0412 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4715    0.2340   -0.2238 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
M  END
$$$$
COVPDB1058
  Mrv2015 05262115523D          

 15 16  0  0  1  0            999 V2000
    1.5378    0.5175   -0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1990    0.0506   -0.0151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3855    0.4542    1.2401 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1738    0.1210    1.1659 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4640   -0.0341    2.9617 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0675   -0.3226    3.5748 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0813   -0.3175    2.5140 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5111   -1.7096    2.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7560   -2.1238    2.5643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2642   -2.5342    1.6900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2670    0.9180    4.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5446    1.4684    5.1809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5894    1.2647    3.8166 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6237    2.8227    2.9888 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8055    1.1843    5.0888 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
$$$$
COVPDB1059
  Mrv2015 05262116133D          

 22 24  0  0  0  0            999 V2000
  -11.1026    2.0774    3.4482 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4901    1.8305    2.7949 S   0  0  2  0  0  0  0  0  0  0  0  0
   -9.6396    1.3703    1.2666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7674    0.6744    3.6388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6423    3.3773    2.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7279    3.6245    3.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1606    4.9019    4.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5504    5.9690    3.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3855    5.6858    2.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9349    4.4021    1.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2140    7.2777    3.4604 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1074    7.9267    4.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1137    9.2895    4.6306 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0882    9.9786    5.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0287    9.3406    7.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1241   11.2904    6.0382 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0810   11.4563    7.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0157   10.2678    8.0054 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0524    7.2859    5.8613 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9979    7.9351    7.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9146    7.2358    8.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8196    6.5583    9.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 15 18  4  0  0  0  0
 12 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  3  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  16
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB105
  Mrv2015 05262115583D          

 31 32  0  0  0  0            999 V2000
   -1.9740    1.8788    3.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7822    2.9014    2.6076 N   0  3  1  0  0  0  0  0  0  0  0  0
   -3.0419    3.7315    2.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6330    3.8096    2.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5508    2.2310    1.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2870    1.3428    1.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3489    0.4383   -0.4812 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5541   -0.4418   -0.5990 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5646   -1.6438    0.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8969   -2.4950    0.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3438   -2.9400    1.9782 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9260   -4.1424    2.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9685   -5.0436    1.3682 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5997   -4.3736    3.5488 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1481   -4.4028    3.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9050   -4.9211    4.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3226   -6.1871    4.9850 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9518   -6.0937    5.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0614   -5.6568    4.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9635   -7.4115    4.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4524   -8.4529    5.3184 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2202   -7.5853    4.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -8.9772    3.8336 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6478   -9.1447    3.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5304   -9.1059    1.6525 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6718   -9.2240    0.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9384   -9.4118    1.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3130   -9.5512    0.4497 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0554   -9.4855    2.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9137   -9.3610    3.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827   -9.4686    5.3311 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  1  0  0  0  0
 27 29  4  0  0  0  0
 29 30  4  0  0  0  0
 24 30  4  0  0  0  0
 30 31  1  0  0  0  0
M  CHG  1   2   1
M  END
$$$$
COVPDB1060
  Mrv2015 05262115543D          

 10  9  0  0  1  0            999 V2000
   -6.1884    0.6171   -4.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6112    1.6200   -3.2148 S   0  0  1  0  0  0  0  0  0  0  0  0
   -8.1612    1.3154   -2.9412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7140    0.8670   -1.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1813    0.9661   -1.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3653    0.3945   -0.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8412    0.5112   -1.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1117   -0.0026    0.0124 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0996   -0.0207    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7312   -0.0365    0.0746 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
$$$$
COVPDB1061
  Mrv2015 05262116083D          

 22 25  0  0  1  0            999 V2000
    3.9733    0.2065   -3.5589 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1513   -0.7070   -2.8302 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7913   -0.0305   -2.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9039   -1.0500   -1.6744 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6360   -2.3113   -2.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9980   -2.9833   -2.9213 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8702   -1.9625   -3.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7473   -3.4154   -1.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0197   -2.1640   -0.7094 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6449   -1.4837   -0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8952   -1.1462   -1.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5828   -2.5315    0.6242 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0085   -2.9006    0.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3603   -3.0950    2.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4212   -3.0434    3.0729 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6531   -3.3166    2.7119 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7696   -3.5384    1.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0385   -3.5375    2.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5518   -3.5297    4.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0026   -3.4830    4.1032 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4926   -2.5285    4.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0570   -1.7441    5.6737 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
  9 11  1  0  0  0  0
  2 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  3  0  0  0  0
M  END
$$$$
COVPDB1062
  Mrv2015 05262116133D          

 23 25  0  0  0  0            999 V2000
    8.7307   -3.6270   -1.7680 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5617   -4.7019   -1.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2151   -4.4751   -1.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7935   -5.2118   -2.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -4.9998   -3.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3345   -3.5146   -1.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0544   -3.2932   -1.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6596   -4.0463   -2.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1425   -2.3467   -1.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8620   -2.1388   -1.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5369   -2.9318   -2.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4293   -3.8387   -3.2671 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4467   -2.8585   -3.3909 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9633   -1.1757   -1.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1689   -0.9940   -1.6127 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3074   -0.4264    0.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4938    0.5087    0.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4227    0.1287    1.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3735    1.0530    2.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3940    2.3630    1.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4420    2.7641    0.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4633    4.3432   -0.0422 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5157    1.8385    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  3  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  5  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
 11 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 21 23  4  0  0  0  0
 17 23  4  0  0  0  0
M  END
$$$$
COVPDB1063
  Mrv2015 05262115483D          

 54 54  0  0  1  0            999 V2000
   -6.4151   -9.2225   -2.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0364  -10.5433   -2.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7570  -10.9841   -2.5118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0668  -12.0848   -2.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5649  -12.8493   -3.7992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7792  -12.3199   -2.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2285  -11.7009   -1.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8007  -11.7642   -1.1177 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4686  -11.8521    0.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0529  -12.0521    0.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3887  -12.2831    2.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9289  -13.3541    2.4465 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1501  -11.3522    3.0259 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1406  -10.6730   -1.7763 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4429   -9.3401   -1.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3036   -8.9077   -0.8915 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2218   -8.3752   -2.6064 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4041   -8.9239   -4.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8754   -9.4996   -4.7695 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5060  -10.0863   -6.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0427   -8.4753   -4.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4395   -7.9871   -1.9641 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737   -6.9702   -2.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0769   -6.3029   -3.3734 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3903   -6.5923   -1.4302 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2568   -7.8215   -1.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4820   -7.4599   -0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2934   -8.6511    0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4749   -8.7534   -0.2105 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7796   -9.6570    0.9234 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7555   -5.9986   -0.2926 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8711   -4.7136    0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6994   -3.9350   -0.3771 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9665   -4.1680    1.2039 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0853   -3.2670    0.5101 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1786   -2.4055    1.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0092   -2.3577    2.2939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5898   -1.4748    0.1854 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2507   -2.1859   -1.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1555   -1.2482   -1.8842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7924   -1.9517   -3.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379   -2.4820   -4.0047 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.0376   -2.0571   -3.0904 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2863   -0.4317   -0.2628 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5905    0.7024    0.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1461    0.9175    1.5793 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4651    1.7017   -0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1942   -5.2559    2.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0801   -6.1563    2.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7995   -5.6448    3.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6438   -6.4765    4.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7777   -7.8347    4.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655   -8.3622    3.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2134   -7.5301    2.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 25 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
 38 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 34 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  4  0  0  0  0
 50 51  4  0  0  0  0
 51 52  4  0  0  0  0
 52 53  4  0  0  0  0
 53 54  4  0  0  0  0
 49 54  4  0  0  0  0
M  CHG  1  42  -1
M  END
$$$$
COVPDB1064
  Mrv2015 05262116133D          

 22 24  0  0  1  0            999 V2000
    1.8134    3.4025    5.2945 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4192    2.4411    4.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4549    1.9628    5.2063 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9561    1.9572    3.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9091    2.5963    2.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3718    2.0317    1.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8560    0.8000    1.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2045    0.1782   -0.0053 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2501   -1.1762    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7905   -1.8080   -1.1940 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3239   -3.2545   -0.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4728   -4.1606   -2.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1113   -5.4116   -1.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2552   -6.3015   -2.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7695   -5.9479   -4.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1213   -4.7130   -4.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -3.8278   -3.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1619   -2.4700   -3.4808 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.2503   -1.8753   -4.8325 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2652   -1.7738   -2.1743 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9720    0.2156    1.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5048    0.7799    2.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 10 20  1  0  0  0  0
  7 21  4  0  0  0  0
 21 22  4  0  0  0  0
  4 22  4  0  0  0  0
M  END
$$$$
COVPDB1065
  Mrv2015 05262116133D          

 20 22  0  0  1  0            999 V2000
    7.4126    6.9309    8.8322 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2778    6.9029    8.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2526    7.2578    8.8354 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1882    6.5311    6.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    5.9552    6.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    5.5989    4.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0093    5.8115    4.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9061    6.3772    4.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9907    6.7204    6.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9310    5.5125    2.5660 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3144    6.7946    1.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8877    6.8257    0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3731    7.8537   -0.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9765    7.9290   -1.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0955    6.9689   -2.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6025    5.9402   -1.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9870    5.8760   -0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4078    4.7782    0.7565 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750    3.5925    0.2578 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6237    4.9788    2.2657 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$
COVPDB1066
  Mrv2015 05262115463D          

 15 14  0  0  1  0            999 V2000
    1.8762    4.4243    4.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7764    4.5176    3.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2123    5.4366    2.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5400    6.6449    2.5679 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517    5.0455    1.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0559    5.8946    0.5406 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7811    3.6848    1.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5039    2.8787    0.1103 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9207    2.9102    0.2899 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0614    1.3939    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3513    1.3224   -0.2025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093   -0.1305   -0.0961 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2426   -1.1474   -1.0374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9141   -0.6443    1.3998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4185   -0.0523   -0.4998 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
$$$$
COVPDB1067
  Mrv2015 05262115493D          

 22 24  0  0  1  0            999 V2000
   -4.2332    2.8447    5.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3082    2.4956    4.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0866    1.9831    3.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1660    1.6039    2.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9741    0.9865    1.1200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3192    0.6948   -0.1362 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4340    0.4768   -1.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1438   -0.9061   -1.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0986   -2.0537   -1.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0866   -1.8219    0.0415 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9006   -2.8119    0.2474 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1147   -3.8049   -0.6960 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7412   -4.2880   -2.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8416   -5.2854   -2.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1402   -2.7189   -0.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9026   -2.5858   -1.5154 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9101   -1.8923   -0.1363 N   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1189   -0.5975   -0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.3684   -0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1882    0.0168   -0.1145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551    1.5963   -0.1142 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4618   -0.4972   -0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 18 22  2  0  0  0  0
  6 22  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
$$$$
COVPDB1068
  Mrv2015 05262115493D          

 19 21  0  0  1  0            999 V2000
    1.4309   -0.3510   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0281   -0.0371   -0.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4169    0.6607    1.0954 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9750    0.6096    1.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6467    1.5465    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172    2.9994    0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5637    3.0033    0.1630 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1457    4.3530    0.4486 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7006    3.9452    1.6810 N   0  0  1  0  0  0  0  0  0  0  0  0
    0.4153    5.0478    2.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5176    5.4104    3.5669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2861    5.4710    1.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0799    6.5318    1.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7582    6.7899   -0.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8525    2.6793    1.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6159    2.2053    3.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    3.0409    3.7213 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6046    1.0146    3.4206 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0191    2.0616    1.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 15 19  2  0  0  0  0
  3 19  1  0  0  0  0
  7 19  1  0  0  0  0
M  END
$$$$
COVPDB1069
  Mrv2015 05262115473D          

 21 21  0  0  0  0            999 V2000
   -5.7076    1.2482   -1.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3278    1.7743   -1.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0630    2.9426   -2.2616 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8345    3.4991   -2.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7359    2.8882   -1.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4193    3.5861   -1.7443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3928    2.8641   -2.6922 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7555    3.5685   -3.1472 P   0  0  2  0  0  0  0  0  0  0  0  0
    2.6419    3.9042   -1.8792 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4347    4.9262   -3.9006 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4907    2.6704   -4.0439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9650    1.6549   -0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9999    0.9580   -0.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621    1.2009   -0.1760 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2218    0.5178    0.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6397    1.1048    0.3937 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5359    0.4046    1.1666 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6824    2.4196    0.7916 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0488    1.0137   -0.9161 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2803    1.0997   -0.9709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5844   -0.0934   -0.3847 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  5 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 12 20  4  0  0  0  0
  2 20  4  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$
COVPDB106
  Mrv2015 05262115443D          

 20 21  0  0  0  0            999 V2000
   -0.5248   -1.1325   -0.5234 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0216   -0.0130   -0.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7162    1.1795   -0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1318    1.1776   -0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8651    2.3693   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1954    3.5888    0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7948    3.6082    0.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0522    2.4095    0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3094    2.4792    0.2106 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8126    2.3520    1.7243 P   0  0  2  0  0  0  0  0  0  0  0  0
    1.4910    1.0331    2.2789 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1541    3.4876    2.6116 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3990    2.5493    1.7438 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8618    3.7761    1.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4161    3.8126    1.1505 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9488    5.1870    0.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4979    5.2397    0.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1024    4.0714   -0.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5741    2.6960    0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0249    2.6457    0.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
M  CHG  1  12  -1
M  END
$$$$
COVPDB1070
  Mrv2015 05262115513D          

 34 37  0  0  1  0            999 V2000
   -2.7568    6.4668   -3.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9421    5.1429   -2.6711 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3948    4.0057   -3.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828    3.6694   -4.6138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4605    2.6798   -5.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5154    2.0169   -5.6995 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2902    2.3931   -6.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7807    1.0053   -6.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3863   -0.0853   -6.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9234   -1.4001   -6.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1623   -1.6490   -5.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6145   -2.9180   -5.6576 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7783   -0.5759   -5.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8260   -0.8053   -4.3197 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3068    0.7393   -5.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9363    5.2483   -1.4421 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4145    4.2693   -0.5318 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0460    4.0482   -0.2067 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5442    2.7052    0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9790    1.5091    0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6113    1.2534    0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1110   -0.0660    0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2779   -0.2787    0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1626    0.8116    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6331    2.1024    0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2903    2.2730    0.3706 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8407    3.0730   -0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9398    2.4754   -0.1378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3858    4.6120   -1.8170 S   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6063    3.4217   -2.5531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4153    5.8625   -1.5636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0300    6.5696   -0.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1802    7.2818   -0.8024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0488    7.0749   -0.1813 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 11 13  4  0  0  0  0
 13 14  1  0  0  0  0
 13 15  4  0  0  0  0
  8 15  4  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 19 27  1  0  0  0  0
 17 27  1  0  0  0  0
 27 28  2  0  0  0  0
 18 29  1  0  0  0  0
  2 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  2  0  0  0  0
 16 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
M  END
$$$$
COVPDB1071
  Mrv2015 05262115523D          

 13 12  0  0  1  0            999 V2000
    0.9632   -0.8891   -0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7001    0.5765    0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8380    1.4609    0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8970    1.2464    0.8001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7679    2.4771   -0.7638 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8252    3.4074   -1.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    4.5200   -2.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6306    5.4532   -2.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3463    6.6187   -3.3297 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9292    6.1368   -4.6548 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5601    7.4464   -3.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    8.7394   -3.1156 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6011    6.9656   -4.0147 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
$$$$
COVPDB1072
  Mrv2015 05262115533D          

 15 14  0  0  1  0            999 V2000
   -0.0665   -4.0932    3.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8073   -3.3487    2.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2881   -1.9197    1.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1429   -1.1789    0.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5641    0.0916    0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5551    0.0547   -0.3870 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1824    1.2534    0.5022 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6568    2.5488    0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6159    3.7082    0.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9851    5.0898    0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8909    6.3184    0.5317 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2421    6.4187    1.9554 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    7.5702    0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6913    8.3448   -0.8569 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1534    7.9293    0.7110 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
$$$$
COVPDB1073
  Mrv2015 05262115423D          

 24 26  0  0  1  0            999 V2000
    0.3157   -5.6763    3.1155 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7243   -6.5196    2.4996 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5664   -5.6977    1.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8152   -5.7552    1.7049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9682   -4.9248    0.6594 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6447   -4.1933   -0.3592 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5166   -2.9554    0.0307 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6388   -2.4273    1.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8669   -0.8849    1.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0861   -0.1668    0.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1613    1.4985    0.5523 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3973   -0.8094   -0.5879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5142   -2.1545   -0.5909 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7610   -3.1989   -0.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3457   -3.3128   -1.5330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5945   -0.1867   -1.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1007   -0.8589   -2.6210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    1.0194   -1.5166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1906   -7.6813    1.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0033   -8.8278    1.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5630   -9.9054    0.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6988   -9.8557    0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5282   -8.7379    0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880   -7.6602    1.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
M  END
$$$$
COVPDB1074
  Mrv2015 05262116153D          

 26 26  0  0  1  0            999 V2000
   -0.6925   -3.0862    0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3136   -1.6596    0.3381 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3411   -1.5072    1.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1906   -0.5633    0.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5701    0.9551    0.2564 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2902    1.4246    1.4019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7546    1.6441    2.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655    1.4735    2.8688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6082    2.0993    3.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2896    1.3749   -0.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7884    2.2939   -1.6669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4796    0.8128   -1.3405 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2387    1.0821   -2.5321 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6340    0.6040   -2.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8113   -0.5835   -1.9348 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8148    1.4682   -2.5430 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8187    1.9109   -3.8429 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7815    2.5527   -1.7032 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0057    0.8148   -2.3263 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6487    0.3905   -3.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3212    0.9089   -4.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1664    0.0947   -4.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0923    0.5931   -4.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2173    1.9149   -5.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0767    2.7320   -5.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1843    2.2307   -4.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
M  END
$$$$
COVPDB1075
  Mrv2015 05262116133D          

 16 18  0  0  0  0            999 V2000
   -2.4144   -3.2039    0.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5351   -3.2250    0.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7840   -2.1461    1.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9172   -1.0361    1.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8068   -1.0247    1.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5430   -2.0938    0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5423    0.3796    0.8737 Se  0  0  0  0  0  0  0  0  0  0  0  0
    0.2412   -0.7271   -0.3969 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3950   -1.9055   -0.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -2.7596   -1.4438 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3752   -0.3410   -1.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4231    0.8476   -1.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6131    1.1836   -2.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417    0.3489   -2.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -0.8177   -1.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4892   -1.1213   -0.9644 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  6  9  4  0  0  0  0
  9 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
M  END
$$$$
COVPDB1076
  Mrv2015 05262115513D          

 16 16  0  0  0  0            999 V2000
    5.3929   -4.5634   -0.3004 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2314   -4.9402   -0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584   -4.0823   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8673   -4.3561    0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4344   -5.6289    0.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9237   -3.4075   -0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053   -2.4376    0.7251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3115   -1.4504    0.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7371   -1.7031    0.8415 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8903   -2.4491    2.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4010   -2.6001   -0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1026   -0.2926   -0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5137   -0.0508   -0.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8137    0.8144   -0.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235    0.5736   -0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5340   -0.3553    0.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
$$$$
COVPDB1077
  Mrv2015 05262116113D          

 12 11  0  0  0  0            999 V2000
    0.6395    1.8731   -4.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1958    0.5529   -4.0546 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2816   -0.3172   -5.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6858    0.1258   -2.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1490   -1.0367   -2.7082 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7128    0.9160   -1.7560 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1294    0.5908   -0.6471 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4524    0.2341    0.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1396   -0.4930    1.1903 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1575    0.5973    0.7905 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6011    1.5464    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4148    0.0695    2.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$
COVPDB1078
  Mrv2015 05262116113D          

 27 29  0  0  1  0            999 V2000
    1.2204    0.0821    0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310    0.1859    0.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3215    0.2335    0.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6132    0.2078    0.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1725   -0.8789    0.6214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2927    1.2903   -0.1107 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5897    1.2094   -0.7226 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2701    2.5891   -0.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5967    2.4261   -1.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3822    1.8756   -2.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2941    0.9391   -3.2570 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4049    0.6593   -2.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0528    0.3513   -4.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9847    0.6482   -5.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9865    1.4851   -5.5407 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9286    0.0733   -6.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9379   -0.8511   -7.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8888   -1.4244   -8.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9829   -2.2064   -8.9332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7892   -1.1658   -9.5330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9980   -1.1371   -6.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9684   -0.5538   -4.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9984   -1.9996   -6.4118 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2300   -2.0189   -5.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0420   -2.8965   -5.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7426   -1.0959   -4.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172   -0.8381   -3.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  3  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 17 21  4  0  0  0  0
 21 22  4  0  0  0  0
 13 22  4  0  0  0  0
 21 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  1  0  0  0  0
 24 26  4  0  0  0  0
 22 26  4  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  23
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1079
  Mrv2015 05262116133D          

 10 11  0  0  1  0            999 V2000
    0.0206   -1.1034    0.1991 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5114    0.2212    0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2097    0.9316   -1.1494 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0180    0.2035   -2.4898 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6609    0.7180   -3.6913 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7347    1.1252   -3.4508 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0145    2.4453   -2.7170 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4196    2.5847   -2.5142 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2596    2.4003   -1.3654 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8625    3.2861   -1.3947 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$
COVPDB107
  Mrv2015 05262115583D          

 25 26  0  0  0  0            999 V2000
    1.7217   -2.3770   -1.6226 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2826   -1.9076   -0.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5265   -2.4410   -0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1712   -1.9946    1.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6708   -2.6802    1.4857 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5577   -1.0018    1.8798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2648   -0.4312    3.3138 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3182   -0.4584    1.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6746   -0.8973    0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4825   -0.3901   -0.1155 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1156    0.9943   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2549    1.2573   -0.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0206    0.2630   -0.6731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7211    2.5030   -1.0537 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0656    2.6652   -1.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8396    3.8609   -0.9774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9967    5.1630   -1.0392 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6188    4.9057   -0.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9012    3.7062   -1.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6389    6.3153   -0.3670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9104    7.1372   -1.2807 S   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5110    7.2089   -2.8337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2754    6.3077   -1.1308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1114    8.7509   -0.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0768    9.4641   -0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  2  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
$$$$
COVPDB1080
  Mrv2015 05262115543D          

 20 21  0  0  1  0            999 V2000
    1.3092    0.0592   -0.3809 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1718    0.0308   -0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1351   -0.0029   -0.0432 N   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7227    1.3507    0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1271    1.4524    1.6803 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6313    0.1342    2.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6231   -0.8280    1.1024 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8975   -2.1696    1.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5762    2.6653    2.3272 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1545    2.9757    3.9704 S   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4897    1.8953    4.9534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6237    4.4258    4.4052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9271    2.9457    4.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5295    2.2954    5.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9297    2.2033    5.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7017    1.3494    6.7337 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -6.7430    2.7648    4.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1568    3.4473    3.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7552    3.5580    3.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0814    4.5492    1.6634 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  1  0  0  0  0
 15 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 13 19  4  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$
COVPDB1081
  Mrv2015 05262116133D          

 38 43  0  0  1  0            999 V2000
    1.5644   -0.0697    1.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1330    0.0350    0.7164 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3899    1.3952    0.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5434    1.2281   -0.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8236   -0.2810   -0.5825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4574   -0.9320   -0.2512 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3955   -1.2401   -1.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828   -2.1115   -1.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0834   -2.7314   -2.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7638   -4.0134   -2.4968 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627   -4.6978   -3.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288   -6.0962   -3.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7669   -6.8379   -4.6498 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2887   -6.1360   -5.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0487   -4.8500   -5.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3571   -4.0696   -4.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6818   -2.7217   -3.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0303   -2.1119   -2.9493 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6427   -1.9593   -4.5943 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7337   -1.4163   -3.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6774    0.1345   -3.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5124    0.6620   -5.2105 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4832    0.0164   -6.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5474   -1.5339   -5.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2445    1.7466   -5.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1764    2.0355   -6.9240 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0227    2.5947   -4.9121 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0380    3.3537   -5.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1048   -8.1564   -4.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5175   -8.3824   -4.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425   -9.7937   -3.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590  -10.8523   -3.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4963  -10.5336   -4.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276  -11.5585   -3.9155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1713  -11.2994   -4.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2297  -10.0196   -4.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7147   -8.9870   -4.6858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0776   -9.2057   -4.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
  9 18  4  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 13 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 29 38  4  0  0  0  0
 33 38  4  0  0  0  0
M  END
$$$$
COVPDB1082
  Mrv2015 05262116053D          

 20 19  0  0  1  0            999 V2000
    2.9596    2.8591    0.8190 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5775    2.8635    0.4567 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0849    1.3918    0.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3378    1.3356    0.2966 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9853   -0.1195    0.1824 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2322   -0.9649   -0.9260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8451   -0.8698    1.5693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4023    0.0103   -0.1705 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3713    3.5413   -0.9391 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0223    3.5688   -1.2506 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9359    4.9944   -1.0343 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2708    5.8669   -0.1226 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8788    5.5823   -2.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9541    5.9237   -2.9520 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6193    5.7966   -3.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248    6.5029   -2.3262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8050    6.6126   -2.9131 P   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7544    7.3142   -4.3314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6411    7.5444   -1.9411 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4309    5.2906   -3.0099 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
$$$$
COVPDB1083
  Mrv2015 05262116003D          

 36 38  0  0  1  0            999 V2000
    0.3283    4.8260   -0.0024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9911    4.3288   -0.2132 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3502    3.1711    0.7736 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2463    2.0632    0.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5329    0.9266    1.9032 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2953    1.3208    3.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8930    0.4630    3.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1516   -0.4187    2.8216 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3912   -0.2049    1.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4711   -0.9121    0.7176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6697    2.6614    0.4987 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0683    1.9128   -0.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2446    1.5291   -1.4369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4877    1.4890   -0.6833 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0535    1.5163   -2.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0465    2.9041   -2.8696 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0564    3.9231   -2.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0738    5.2783   -3.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3464    5.0895   -4.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3474    4.0874   -5.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3351    2.7333   -4.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5192    0.1445   -0.1963 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2553   -0.3512    0.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0601   -1.5600    1.0906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1786    0.3787    1.5366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9381   -0.1044    2.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1491    0.8534    2.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5365    0.3902    2.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7115    1.2069    2.8425 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5350    2.5334    3.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2582    3.0912    3.5151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0876    2.2619    3.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0937    5.7811   -0.0209 S   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8951    6.4246    1.5513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6309    5.3753   -0.2042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7022    6.9182   -1.0793 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
  2 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 33 36  2  0  0  0  0
M  END
$$$$
COVPDB1084
  Mrv2015 05262116113D          

 18 20  0  0  1  0            999 V2000
   -3.0967    0.6542    0.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0619    0.7519   -0.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7020    0.9958    0.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3909    0.1872    0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6363    0.6824    0.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4600   -1.1599   -0.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6968   -2.3725    0.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5854   -2.9546    1.3618 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5827   -4.3420    1.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4037   -4.4522    2.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7326   -3.2367    3.3962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8399   -5.5153    3.4185 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0698   -5.3817    1.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0144   -2.2382    2.6823 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7703   -0.8960    2.5560 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0671   -0.7437    3.1495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0271   -0.7202    1.7104 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8583   -1.8959    1.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  2  0  0  0  0
  8 14  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  1 17  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$
COVPDB1085
  Mrv2015 05262115473D          

 48 50  0  0  1  0            999 V2000
   -0.8859    4.0587   -0.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4906    3.9196   -0.1872 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4800    4.9922   -0.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0810    2.4641   -0.2870 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0966    1.4576    0.0290 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3176    0.4470   -0.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1804    0.3007   -1.9405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3868   -0.4951   -0.3737 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7317    0.2308   -0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3703    0.9655   -1.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5626    1.7375   -0.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5641    3.0890   -0.9282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5867    1.1534   -0.4493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -1.3958    0.6192 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1769   -1.5239    1.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9748   -0.7608    2.5326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6502   -2.5172    2.7244 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2321   -3.5738    2.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4321   -4.5650    3.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6860   -5.1864    4.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5164   -6.1735    5.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7760   -6.5575    5.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8975   -5.9360    4.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7273   -4.9454    3.8388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2592    2.1894    0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5571    3.0235    1.5040 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9404    0.9955    0.2859 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0451    0.6404    0.9014 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3265    0.9704    0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2723    1.6514   -1.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8251    0.9810   -2.0973 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6096    2.8511   -1.1309 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9614   -0.0390    2.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9952   -0.4733    2.6651 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6708   -0.2506    2.7965 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6855   -0.8222    4.1138 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    0.5900    4.0360 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0673    1.0810    4.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1380    0.2827    4.5278 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8704    2.4214    4.1635 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3870    3.0733    4.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2350    4.6146    4.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5158    5.3010    4.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6867    5.9979    5.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9129    6.6170    6.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9834    6.5505    5.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8255    5.8683    3.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5998    5.2500    3.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
  4 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 28 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 46 47  4  0  0  0  0
 47 48  4  0  0  0  0
 43 48  4  0  0  0  0
M  END
$$$$
COVPDB1086
  Mrv2015 05262115483D          

 51 51  0  0  1  0            999 V2000
    6.5637   -1.7572    9.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6031   -2.4835    8.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346   -3.9543    8.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3014   -4.6889    7.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0957   -6.1780    7.9858 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3122   -6.9290    7.8123 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6152   -8.1052    8.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8591   -8.4976    9.3680 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301   -8.9126    8.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7354   -8.4390    7.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8318   -9.2471    6.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9426  -10.5513    7.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500  -11.0495    8.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8560  -10.2408    8.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0581   -6.9187    7.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1617   -7.5135    7.8571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2065   -7.0913    5.8660 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8364   -8.2665    5.1226 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3328   -8.6989    5.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1262  -10.0937    4.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1907  -10.8132    4.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2591  -12.2921    4.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4421  -12.9605    4.8909 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -8.0991    3.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4328   -8.7635    3.4659 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559   -7.2352    2.8624 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -6.9417    1.5549 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3410   -6.3466    0.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9393   -7.0244    0.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1037   -6.1941   -0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4378   -6.6298   -0.0040 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5418   -6.0117   -0.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6985   -6.4820   -0.0125 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5355   -4.9811   -1.1744 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6290   -6.1263    1.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7170   -6.7239    1.5582 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8056   -4.8139    2.0986 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8843   -3.7137    2.2061 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6767   -3.8553    3.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6077   -2.7341    3.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1904   -3.1172    3.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7323   -2.0708    3.1764 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0565   -2.1738    3.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7232   -3.2408    3.5289 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7278   -1.1796    2.7045 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6530   -2.4719    2.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5551   -1.5095    1.7093 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4739   -2.2611    3.7265 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8532   -1.3445    4.5390 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7093   -1.7711    3.3802 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6846   -3.4049    4.4547 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  5 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 27 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  2  0  0  0  0
 38 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 48 51  1  0  0  0  0
M  END
$$$$
COVPDB1087
  Mrv2015 05262115553D          

 12 12  0  0  1  0            999 V2000
    1.6853    0.0628    0.2123 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3721    0.2496   -0.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2658   -1.1215   -0.6528 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7215   -1.0395   -1.2079 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0119   -2.2409   -1.9243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7805   -0.8502   -0.0841 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7657    0.4963    0.3865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5600   -1.8449    1.0898 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4116   -1.5129    2.1852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0772   -1.8511    1.5442 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1765   -2.0700    0.4373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8851   -2.9071    2.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$
COVPDB1088
  Mrv2015 05262115593D          

 25 24  0  0  1  0            999 V2000
   -7.2284   -8.9715   -9.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8373   -7.5631   -8.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4079   -7.5621   -7.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1230   -6.1340   -6.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7365   -6.1192   -5.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7937   -4.7783   -4.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8711   -4.1766   -4.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2088   -4.7326   -3.8643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2640   -5.9224   -3.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9492   -6.0130   -1.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4904   -4.9340   -0.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0787   -4.6208   -1.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5254   -3.3939   -1.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2103   -2.1200   -0.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8159   -1.9613    0.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1683   -1.8652    1.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7229   -1.8615    1.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0907   -0.4498    1.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5385   -0.4768    1.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9241    0.9412    1.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2063    0.9340    1.3814 P   0  0  1  0  0  0  0  0  0  0  0  0
    0.3140    2.3070    1.2738 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3566    0.2535    2.6502 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2406    0.0838    0.0964 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6609   -0.0268   -0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$
COVPDB1089
  Mrv2015 05262115403D          

 28 30  0  0  0  0            999 V2000
   -0.0929    0.4111    0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4025    0.3245    0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5850   -0.4596   -1.1898 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7900    0.2335   -2.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1556    1.7385   -2.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3899   -1.8677   -1.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3149   -2.6210    0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1848   -2.6214   -2.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8383   -3.9852   -2.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6749   -4.6651   -1.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9337   -3.9739    0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2306   -6.0024   -1.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0160   -6.6588    0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3369   -5.9127    1.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7715   -4.6231    1.2496 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2363   -6.3690    2.5101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5240   -7.9851    0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9579   -8.4305    1.3341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5942   -8.7824   -0.8665 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0565  -10.0336   -0.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0383  -10.6996   -2.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4192  -11.9806   -2.2710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3280  -12.7257   -1.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0463  -12.3650   -0.6176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3723  -13.9776   -2.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5136  -14.0240   -3.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9271  -12.8017   -3.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0582  -12.5182   -4.0938 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
 14 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
$$$$
COVPDB108
  Mrv2015 05262115583D          

 26 27  0  0  0  0            999 V2000
    1.3694   -0.2385    0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0614   -0.0751    0.0889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5376    0.5049    1.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8927   -0.3205    2.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4088    0.2357    3.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992   -0.8029    4.7949 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5845    1.6338    3.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3807    2.5343    5.2764 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2185    2.4588    2.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6918    1.9074    1.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3238    2.6867    0.2855 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5186    3.8387    0.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8514    4.4610   -0.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0983    4.1604   -1.8858 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310    5.3208   -1.1378 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2312    5.8425   -2.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011    7.3699   -2.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655    7.7560   -1.4152 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1146    7.2273   -0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8615    5.7008   -0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7619    9.2164   -1.3011 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6884    9.9830   -2.5967 S   0  0  1  0  0  0  0  0  0  0  0  0
    5.9373    9.0580   -2.9974 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7339   10.1630   -3.8734 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2624   11.5367   -2.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5907   11.7740   -0.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
  3 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
$$$$
COVPDB1090
  Mrv2015 05262115403D          

 40 43  0  0  1  0            999 V2000
   -1.7751    3.8435    3.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7417    3.0302    4.6563 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6434    2.9756    4.1115 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4285    4.3264    4.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7503    4.7371    5.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9497    4.3039    6.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2678    4.6992    7.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3864    5.5273    8.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1866    5.9570    7.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8732    5.5687    6.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7462    2.4131    2.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2435    3.1274    1.8287 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4508    1.2643    2.3834 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9560    0.2983    3.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6696   -0.8787    2.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066   -0.3011    1.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8889    1.0473    1.0269 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8328    1.0703   -0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7455    1.9862   -0.9779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1460    0.1483   -0.3146 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4223   -1.0885    0.3494 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9541   -1.3547    0.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7115   -0.2442    1.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9016   -0.0094    2.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6766    1.0785    2.5739 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9967    1.5693    1.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7898    2.6757    1.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9499    2.9807   -0.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3162    2.1954   -1.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5308    1.0819   -0.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3931    0.7773    0.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2148   -2.2308   -0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7359   -3.1273    0.3359 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2848   -2.3802   -1.8596 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0880   -3.6655   -2.1813 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6273   -1.5792   -2.5129 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7024   -2.0984   -2.4369 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7448   -2.3651   -3.7846 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629   -2.8715   -1.8324 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0644   -0.7840   -2.2822 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 23 31  4  0  0  0  0
 26 31  4  0  0  0  0
 21 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  25
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1091
  Mrv2015 05262115563D          

 26 28  0  0  1  0            999 V2000
    2.8473   -4.4918   -0.3585 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9682   -5.2600   -0.1789 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4785   -5.4125   -1.4479 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6085   -6.5221    0.2261 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9079   -4.6515    0.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2711   -4.4753    0.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -3.9581    1.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8261   -3.6047    2.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4837   -3.7522    3.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5095   -4.2631    2.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8444   -4.3528    2.7837 S   0  0  1  0  0  0  0  0  0  0  0  0
    2.0341   -5.6191    2.2242 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8694   -4.4953    4.3846 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8950   -2.8294    2.3591 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4229   -2.8528    2.8307 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0703   -1.5080    3.3203 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2415   -0.6264    3.1709 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4645   -1.5560    3.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0526    0.3582    2.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0842    1.5787    2.3631 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8719   -0.0290    0.7756 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7919    0.8759   -0.3294 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2585    0.5262   -1.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4857    1.7276   -0.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9600    1.4243   -0.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9385    1.8819   -1.1896 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  3  0  0  0  0
M  END
$$$$
COVPDB1092
  Mrv2015 05262115443D          

 22 24  0  0  0  0            999 V2000
    0.6248   -1.1158   -0.2406 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6572    0.3409   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1667    0.7710    1.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3008    2.5806    1.2192 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0588    2.8849    3.1532 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8434    2.5959    2.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5955    3.1499    4.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0786    3.0873    4.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6245    2.2229    4.8041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8688    3.9329    3.2998 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3264    3.9358    3.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7943    5.2954    4.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0622    6.4259    3.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9355    6.2543    2.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3321    4.9299    2.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5169    7.4498    2.1713 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2990    8.4022    2.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2393    9.7986    2.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1750   10.5853    3.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1457    9.9750    4.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2039    8.5700    4.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2689    7.7993    3.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 13 22  4  0  0  0  0
 17 22  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  16
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1093
  Mrv2015 05262116123D          

 20 20  0  0  1  0            999 V2000
  -10.2951    5.7823   -1.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0554    6.4263   -0.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8741    5.4270   -0.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6067    6.0411    0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4387    5.0178    0.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1576    5.6270    0.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8503    4.5198    1.0991 P   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7198    5.2207    1.7246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3887    3.3340    2.0363 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4322    2.5929    2.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4270    3.9596   -0.3444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3998    3.0506   -0.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6974    1.6851   -0.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6725    0.7219   -0.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6902    1.0925   -0.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6730    0.1719   -0.3024 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.9017    0.4842   -0.2022 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4705   -0.9777   -0.3330 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9765    2.4786   -0.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0486    3.4428   -0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 15 19  4  0  0  0  0
 19 20  4  0  0  0  0
 12 20  4  0  0  0  0
M  CHG  2  16   1  17  -1
M  END
$$$$
COVPDB1094
  Mrv2015 05262115523D          

 23 24  0  0  1  0            999 V2000
   -9.7322   -8.5695    1.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4845   -8.7289    0.8675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6488   -7.4271    0.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3879   -7.6209   -0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5342   -6.3298   -0.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2612   -6.5434   -1.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3503   -5.1045   -1.3511 P   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1727   -5.4056   -2.1774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3049   -4.0203   -2.0481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6919   -3.1084   -2.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9055   -4.5715    0.0964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1507   -3.4350    0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -2.1812    0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7636   -3.5052   -0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0087   -2.3332   -0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5824   -1.0585   -0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9734   -1.0057    0.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1371    0.1678   -0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5887    0.2047   -0.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440    1.3894    0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9160    1.3835    0.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5823    0.1983    0.4303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5396    2.4505    0.5529 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 12 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
 16 18  4  0  0  0  0
 18 19  1  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 21 23  2  0  0  0  0
M  END
$$$$
COVPDB1095
  Mrv2015 05262116133D          

 33 38  0  0  1  0            999 V2000
   12.4057    3.3256    1.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3981    4.2193    1.0833 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6786    4.8139    2.2044 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8578    4.3124    3.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0200    3.3647    2.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7687    4.6136    4.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8257    3.9112    5.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9614    2.9388    4.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9991    2.2239    5.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0348    2.6715    3.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1530    1.7601    2.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1163    2.1968    1.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8801    3.8421    1.4324 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2355    1.2582    1.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3058    0.3762    2.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125   -0.5478    2.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036   -0.1295    1.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6476   -1.8641    2.5154 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8741   -2.8371    1.9944 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7426   -2.4974    1.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3808   -1.1319    1.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1427   -0.9423    0.3943 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5755   -1.9765   -0.4648 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4975   -3.2274   -0.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0211   -3.5399    0.7157 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1884   -2.4051    0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2561   -1.3084    0.2564 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7787   -0.0476    0.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3053    0.2257    0.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8829   -1.5210    0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4927   -2.6541   -0.3168 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8758   -0.5752    0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3986   -0.6895   -0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 12 14  4  0  0  0  0
 11 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 14 17  4  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 17 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 22 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   2
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1096
  Mrv2015 05262116133D          

 31 35  0  0  0  0            999 V2000
    9.4795   -7.2184    1.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6048   -8.5360    1.9943 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8629   -8.8547    1.9305 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6044   -7.7762    1.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7483   -6.6930    1.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9869   -7.6319    1.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4877   -6.3426    1.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6282   -5.2105    1.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2157   -3.8655    0.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2174   -5.3910    1.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2637   -4.3455    1.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4236   -4.2433   -0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6234   -5.2507   -1.3885 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3865   -3.2864   -0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1096   -3.4100    2.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0972   -2.4327    2.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1727   -2.3984    1.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -1.5240    3.1022 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0325   -0.5885    3.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0941   -0.5863    2.1524 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1007   -1.4614    1.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0187   -1.3784    0.2512 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5128   -0.1164   -0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0372    0.1111    0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1752   -1.0645    0.1535 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7885   -2.3634    0.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2348   -2.5290   -0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7819   -0.9722    0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1161   -2.0355   -0.0687 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0441    0.2209    0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2868    0.3123   -0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 12 14  4  0  0  0  0
 11 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 14 17  4  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 17 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   3
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1097
  Mrv2015 05262116073D          

 24 24  0  0  0  0            999 V2000
   -3.5870   -0.8957  -10.1147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1587   -1.9629   -9.9011 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.6986   -2.8898  -10.5849 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1838   -2.1936   -9.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7255   -3.5103   -8.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7220   -3.7617   -7.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1309   -2.7020   -7.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5607   -1.3843   -7.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5715   -1.1361   -8.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8463   -2.9440   -6.1239 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5452   -2.7944   -4.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4386   -2.8736   -3.8943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8039   -2.5185   -4.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3319   -3.8238   -3.1393 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1401   -3.3343   -6.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3771   -3.5839   -5.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6222   -4.0620   -6.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7511   -4.1888   -5.6996 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9198   -4.8147   -6.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0862   -5.3327   -7.1475 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0153   -4.9244   -5.0286 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1715   -4.3877   -5.5399 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7369   -4.2758   -3.8483 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2394   -6.2483   -4.7391 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  CHG  2   2   1   3  -1
M  END
$$$$
COVPDB1098
  Mrv2015 05262116033D          

 13 13  0  0  0  0            999 V2000
   -0.7896    5.3790    4.2207 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1768    5.4037    3.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1569    6.1533    3.4814 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0676    4.6368    2.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2226    4.4441    1.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    3.7585    0.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9765    3.5943   -0.4039 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2798    3.2291   -0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0025    3.3957    0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005    4.0815    1.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4469    4.1388    1.8807 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4224    4.4841    1.1435 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6947    3.8383    2.9819 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  4 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  CHG  2  11   1  12  -1
M  END
$$$$
COVPDB1099
  Mrv2015 05262115403D          

 38 40  0  0  1  0            999 V2000
    3.8989   -2.2802   10.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2974   -1.4370    9.4400 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9190   -0.0213    9.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0937   -2.1648    8.7413 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4574   -3.4874    8.3086 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5906   -4.5036    8.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -4.2897    8.1765 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0343   -5.7727    7.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1205   -6.8504    7.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4978   -8.0866    6.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104   -8.2880    6.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1809   -9.5045    5.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4913   -9.6860    5.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4462   -8.6676    5.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0890   -7.4562    6.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7662   -7.2430    6.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3714   -6.0069    7.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5300   -1.3282    7.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5085   -0.6641    7.9348 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0768   -1.1569    6.3638 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0331   -2.0383    5.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1855   -1.5912    4.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7258   -0.1305    4.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7786   -0.0199    5.5258 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3516    0.0884    5.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2380    1.1809    5.3143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3041   -0.9797    4.6019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6859   -0.9904    4.2279 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9288   -1.9642    3.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -1.6277    1.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3392   -2.4803    1.3790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2902   -0.4165    1.2378 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4268    0.0936   -0.1535 S   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1535   -0.6874   -1.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1163   -0.3242   -0.0263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5315    1.6891   -0.2812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4724   -1.3731    5.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2728   -0.5700    5.9514 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 16 17  4  0  0  0  0
  8 17  4  0  0  0  0
  4 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 33 36  2  0  0  0  0
 28 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
$$$$
COVPDB109
  Mrv2015 05262115583D          

 29 31  0  0  0  0            999 V2000
    4.7212   -1.7883    1.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5148   -1.4270    2.4890 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3069   -1.5144    1.6992 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3998   -2.4026    3.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7030   -0.0857    2.9965 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552    0.5836    2.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8458   -0.2491    1.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3440    1.9470    2.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3681    2.9676    3.5015 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1691    2.4459    2.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3401    1.5941    1.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0857    2.2078    0.5738 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6967    0.2365    1.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0438   -0.6053    0.2705 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655   -0.6992   -1.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3116   -1.6414   -1.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3381   -2.1328   -1.3995 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0619   -2.0223   -3.2219 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6294   -3.1007   -3.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8794   -2.8336   -5.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276   -2.4237   -6.1537 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0445   -1.2080   -5.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2368   -1.4776   -3.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2273   -2.0407   -7.5758 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2967   -3.3140   -8.6883 S   0  0  1  0  0  0  0  0  0  0  0  0
    0.6599   -4.5895   -8.5071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8018   -3.7379   -8.3268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2584   -2.7786  -10.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5754   -1.8403  -10.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  3  7  1  0  0  0  0
  6  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 11 13  4  0  0  0  0
  7 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
$$$$
COVPDB10
  Mrv2015 05262115453D          

 15 16  0  0  1  0            999 V2000
   -1.8623    4.0028    7.8436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7643    2.9013    6.9436 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8491    3.2743    5.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7881    2.1823    4.8167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0659    1.8467    4.2241 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0676    1.3975    5.3261 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3536    1.1627    4.7533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1720    2.4728    6.4449 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9395    1.9714    7.5384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8744    0.7842    3.2637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0127    1.1413    2.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8495   -0.0586    1.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0158    0.3209   -0.0225 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8311   -0.7281   -0.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4313    0.1935    0.1798 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
$$$$
COVPDB1100
  Mrv2015 05262116113D          

 41 45  0  0  1  0            999 V2000
    9.7722    4.2450   -0.3847 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0046    3.8778   -0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9642    4.9021   -0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3246    4.4930    0.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7280    3.0800    0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7078    2.1183    0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0859    0.8158    0.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3543    2.5046    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3375    1.5284   -0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4325    0.6815   -1.1864 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2089    1.4263    0.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0948    2.1578    1.7863 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1825    0.5220    0.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2782   -0.2755   -0.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4786   -0.2212   -1.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2479   -1.1257   -1.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9857   -1.1817   -0.7304 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1431   -0.0198   -0.9409 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042    0.2198    0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4457   -0.9984    0.4680 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2848   -2.1255    0.8601 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4150   -2.4157   -0.1892 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4550   -3.4162    0.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0612   -1.1164    0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5098   -2.2016    0.6049 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2246   -0.1214   -0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1154   -0.1664   -0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4725   -1.8801   -2.3650 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6404   -1.8557   -3.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7255   -2.6106   -4.0467 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6601   -1.0358   -2.6377 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8788   -1.0542   -3.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2329   -0.0505   -4.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292    1.0618   -4.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5063   -0.1045   -4.8392 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4022   -1.1275   -4.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0329   -2.0578   -3.5899 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8247   -2.0720   -2.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5871   -3.1713   -1.9763 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5445   -4.5520   -2.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6400   -3.1462   -0.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
  9 11  4  0  0  0  0
 11 12  1  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 14 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 16 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  2  0  0  0  0
 29 31  4  0  0  0  0
 15 31  4  0  0  0  0
 31 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  1  0  0  0  0
 33 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 32 38  4  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
M  END
$$$$
COVPDB1102
  Mrv2015 05262115433D          

 20 20  0  0  1  0            999 V2000
    0.8303    5.6379   -7.9756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857    4.1981   -7.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6678    3.7141   -6.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2082    2.2595   -6.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5337    1.7303   -4.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0245    0.2567   -5.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364   -0.4145   -3.6027 P   0  0  1  0  0  0  0  0  0  0  0  0
    4.4151   -2.1256   -4.0547 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6597    0.4488   -3.0026 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4143   -0.6480   -2.5894 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6730   -0.9077   -1.1829 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2276   -2.3527   -0.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2709   -2.7877    0.5530 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7718   -4.2496    0.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8756   -2.5919    1.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4075   -1.1206    1.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3135   -0.6658   -0.4301 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7395    0.7967   -0.6060 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6228    1.9341   -0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7210    0.9403   -0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
$$$$
COVPDB1103
  Mrv2015 05262115433D          

 22 23  0  0  0  0            999 V2000
    8.2806    8.2843   -7.6490 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7278    8.0127   -6.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8416    6.9432   -5.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3438    6.6937   -3.9252 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2706    4.9742   -3.3695 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5801    5.6147   -3.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6361    4.5654   -2.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3195    5.1289   -2.5332 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4330    4.3369   -2.0536 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1679    4.5544   -1.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6325    5.7927   -2.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3850    6.7816   -2.8846 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.5740    6.1103   -2.2594 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4017    3.5033   -1.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9852    3.4969   -1.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3852    2.3445   -0.5604 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3228    1.5527   -0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8076    2.2268   -0.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2703    0.2533    0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9786   -0.3947    0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1367    0.2593   -0.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0592    1.5675   -0.8508 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 14 18  4  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 18 22  4  0  0  0  0
M  CHG  1  12  -1
M  STY  1   1 DAT
M  SAL   1  1  16
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1104
  Mrv2015 05262115513D          

  5  4  0  0  0  0            999 V2000
    1.2745   -0.0498   -0.0113 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0220   -0.0290    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7162    1.2473    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0129    1.7468    1.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9201    3.3101    1.4062 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
$$$$
COVPDB1105
  Mrv2015 05262115583D          

 38 38  0  0  1  0            999 V2000
   -2.9258    0.4442   -0.1682 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0889   -0.7632   -0.0545 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5831   -0.3994    0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1463    0.2439   -1.1635 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1063    0.7285   -1.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9953    0.6446   -0.4968 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4230    1.3704   -2.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5670    2.6400   -2.9126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9484    3.4526   -4.4813 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5282   -1.5570    1.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7780   -2.7761    0.9614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6687   -0.9554    2.3351 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0920   -1.5915    3.5505 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6082   -1.3458    3.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5609   -1.7215    2.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0762   -1.3785    2.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8065   -1.2087    1.7801 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1178   -1.3346    1.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5941   -1.0782    0.4146 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9405   -1.6871    2.5234 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2076   -1.0545    4.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3397    0.1409    4.9720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2316   -1.8339    5.1626 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2567   -1.3681    6.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4842   -2.4975    6.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6616   -2.7195    6.3223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340   -3.2718    7.6294 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4268   -4.4064    8.3120 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1934   -5.7341    7.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0515   -5.9256    6.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3092   -6.3791    5.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5648   -6.5032    4.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5581   -6.1889    3.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7014   -5.7545    3.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9556   -5.6241    5.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1856   -4.2401    9.7671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2049   -4.1547   10.6423 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9786   -4.1672   10.2233 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 13 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 30 35  4  0  0  0  0
 28 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
M  END
$$$$
COVPDB1106
  Mrv2015 05262116113D          

 18 18  0  0  1  0            999 V2000
   -0.4478    1.1444   -4.9151 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2216    0.6922   -3.5324 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4939   -0.0373   -3.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0280   -0.9614   -1.8943 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5085   -0.7954   -1.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.2450   -3.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9944   -0.5622   -3.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8965   -1.6455   -3.4348 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4186   -1.3358   -2.1996 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9976   -1.9635   -4.1918 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -2.8488   -3.3786 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3130    0.1373   -5.1861 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5875    0.0035   -5.6761 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2234    1.5046   -5.0635 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5021   -0.3178   -6.1978 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4656   -2.3713   -2.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2918   -2.9453   -1.1595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0786   -3.0597   -3.0362 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
$$$$
COVPDB1107
  Mrv2015 05262115473D          

 44 47  0  0  1  0            999 V2000
   -0.0158   -1.5603    3.5496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4777   -2.0677    4.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5719   -3.4576    4.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1455   -4.3401    3.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3485   -3.8331    2.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167   -2.4402    2.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9337   -1.8291    0.9360 S   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3136   -2.5253    0.5008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1481   -0.2390    0.9555 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345   -2.2545   -0.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7441   -1.6817    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586   -2.2429   -0.9441 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2144   -1.9851   -0.5261 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8436   -2.5130    0.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -3.1847    1.3764 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2014   -2.3401    0.8245 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8164   -2.7737    2.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0391   -3.6850    1.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9596   -3.0353    0.8934 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3458   -2.6511   -0.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1188   -1.7278   -0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6913   -1.7264   -2.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4629   -2.5449   -3.2495 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7714   -0.3861   -2.5763 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5681    0.2415   -3.8506 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7887    1.5832   -3.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3193    1.4151   -3.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4307    2.7017   -3.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2860    3.6594   -2.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9683    4.8892   -2.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8002    5.1801   -3.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9612    4.2346   -4.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2821    3.0034   -4.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8781    0.4606   -4.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2403   -0.0766   -5.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8041    0.1568   -6.3763 S   0  0  2  0  0  0  0  0  0  0  0  0
    5.5950    0.5277   -7.9268 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6104   -1.2331   -6.3276 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7525    1.4285   -5.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6220    1.1013   -4.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3524    2.1106   -3.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2169    3.4522   -4.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3616    3.7818   -5.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6311    2.7732   -5.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
 25 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 39 44  4  0  0  0  0
M  END
$$$$
COVPDB1109
  Mrv2015 05262115433D          

 25 25  0  0  1  0            999 V2000
    0.6082   23.8400   -0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3706   22.3224   -0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4391   21.4860    0.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030   19.9614    0.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2736   19.1298    1.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0403   17.6047    0.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1136   16.7691    1.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8961   15.2403    1.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9873   14.4208    2.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7983   12.8888    2.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8695   12.1020    2.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531   10.3996    2.7676 P   0  0  1  0  0  0  0  0  0  0  0  0
    4.8267    9.9454    1.3786 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7204    9.6180    3.6782 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9180   10.1001    5.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1753   10.0377    3.2809 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8624    8.7161    3.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2385    8.2667    1.9314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655    6.8966    1.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3036    5.9379    2.7422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1256    4.6172    2.5467 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4733    3.7413    3.4004 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6597    4.1711    1.5729 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577    6.4248    3.9542 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1342    7.7907    4.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 20 24  4  0  0  0  0
 24 25  4  0  0  0  0
 17 25  4  0  0  0  0
M  CHG  2  21   1  22  -1
M  END
$$$$
COVPDB110
  Mrv2015 05262115583D          

 24 25  0  0  0  0            999 V2000
    4.1733    1.1453    4.4115 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1287    0.6776    3.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4710   -0.3899    2.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5938   -0.7797    1.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3727   -0.0952    1.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0479    0.9922    1.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4004    1.8578    1.7404 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9156    1.3651    2.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5141   -0.4445    0.0704 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -1.7703   -0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9715   -1.8713   -1.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0524   -0.8761   -2.0370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8097   -2.9683   -1.4926 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7945   -2.9774   -2.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8132   -4.3007   -3.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9257   -5.5368   -2.4582 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7890   -5.4700   -1.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8171   -4.1340   -0.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8060   -6.8360   -3.1643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2273   -7.3763   -4.0654 S   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5503   -7.0560   -3.2149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2892   -6.5688   -5.4506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1451   -9.0893   -4.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5600   -9.9512   -3.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  2  8  4  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
$$$$
COVPDB1110
  Mrv2015 05262115473D          

 55 56  0  0  1  0            999 V2000
   -2.8789   -6.4097   -9.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6926   -5.8113   -8.4078 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9771   -6.6694   -8.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9993   -4.2856   -8.6201 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8750   -3.4360   -8.8916 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7559   -3.1126   -8.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1238   -2.1785   -8.7185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1397   -3.6997   -6.9331 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2418   -4.9455   -7.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8130   -4.7551   -8.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5471   -5.9982   -8.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5215   -6.5100   -9.9406 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2036   -6.5988   -7.8098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0099   -3.7261   -5.7762 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1132   -4.6679   -4.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6286   -5.8159   -4.9140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7453   -4.3582   -3.4569 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2749   -4.0789   -3.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9558   -4.0077   -2.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6294   -2.8939   -1.8503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9537   -4.9940   -1.4526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0607   -3.2355   -2.8819 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7117   -3.0709   -1.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9642   -3.9295   -0.7034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0676   -1.9132   -1.2679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5654   -1.5397    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0570   -0.1980   -0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4618   -0.0344   -0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0386    1.2432   -0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2182    2.3723   -0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793    2.2254   -0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7561    0.9478   -0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8122   -3.6211   -7.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8059   -4.0712   -6.4142 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5683   -2.5233   -7.8596 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1926   -1.8101   -6.9410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4649   -2.2467   -6.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0451   -3.4774   -6.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4471   -3.5003   -8.2630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1819   -4.5118   -6.2804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6272   -0.6128   -6.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2053    0.0820   -5.6576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4368   -0.1128   -7.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1565    1.2136   -7.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8962    1.8182   -7.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1197    2.7529   -8.6458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5962    1.4392   -7.5253 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5267    1.9168   -8.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2735    0.5709   -6.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9738    0.8805   -5.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    2.2062   -4.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7495    2.5122   -3.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4135    1.4911   -2.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3299    0.1616   -3.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6194   -0.1358   -4.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
  4 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 36 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  4  0  0  0  0
 51 52  4  0  0  0  0
 52 53  4  0  0  0  0
 53 54  4  0  0  0  0
 54 55  4  0  0  0  0
 50 55  4  0  0  0  0
M  END
$$$$
COVPDB1111
  Mrv2015 05262115473D          

 54 55  0  0  1  0            999 V2000
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    0.2522   -3.4200   -8.4967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4868   -4.5397   -6.5711 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.6251   -7.4053   -9.4092 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4650   -4.0904   -5.6021 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0536   -0.1422   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4672   -0.0799   -0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1313    1.1595   -0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3912    2.3539   -0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0141    2.3075   -0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6784    1.0679   -0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7974   -3.7074   -7.8808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2363   -4.0901   -6.7764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9775   -2.4174   -8.2763 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4368   -1.4552   -7.5028 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4224   -3.1531   -7.1461 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3698    1.8073   -8.1031 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7412   -0.3973   -7.7337 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1380   -0.3697   -8.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8297   -1.6530   -7.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4467   -2.4093   -8.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1759   -4.0242   -7.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5391   -3.2538   -6.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8802   -2.0772   -6.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
  4 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 36 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  4  0  0  0  0
 50 51  4  0  0  0  0
 51 52  4  0  0  0  0
 52 53  4  0  0  0  0
 53 54  4  0  0  0  0
 49 54  4  0  0  0  0
M  END
$$$$
COVPDB1112
  Mrv2015 05262115473D          

 56 58  0  0  1  0            999 V2000
   -1.5774   -7.1858   -7.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3782   -6.9126   -6.6313 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8353   -5.6234   -5.9497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9151   -6.9138   -6.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9643   -6.8407   -5.7953 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9550   -5.5481   -5.1679 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8830   -4.5680   -5.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8926   -4.7413   -6.0735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6946   -3.3776   -4.7053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5706   -2.2406   -4.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2340   -1.1966   -3.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0878   -1.5428   -2.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8496   -0.5502   -1.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7501    0.7999   -1.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8722    1.1558   -3.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8236   -8.7435   -4.6836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   -8.0285   -3.9484 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7881   -6.4925   -0.0410 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -2.5965   -7.8556    1.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5068   -6.4315    2.3304 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
  5 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 20 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 36 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  4  0  0  0  0
 52 53  4  0  0  0  0
 53 54  4  0  0  0  0
 54 55  4  0  0  0  0
 55 56  4  0  0  0  0
 47 56  1  0  0  0  0
 51 56  4  0  0  0  0
M  END
$$$$
COVPDB1113
  Mrv2015 05262115513D          

 29 31  0  0  1  0            999 V2000
   -1.9913   -3.2290   -1.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9027   -3.4747   -0.5907 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0789   -2.2538   -0.5503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5762   -1.0188   -0.2247 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0534    0.1761   -0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6654    1.2539    0.3141 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2935    0.3034   -0.1506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0784   -4.8177   -0.7460 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3083   -5.0973    0.6079 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5223   -5.0003    1.7599 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7522   -4.7307    2.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -4.2646    3.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2559   -3.8364    4.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7387   -3.0878    5.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1486   -2.5586    6.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5314   -2.8251    6.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9776   -3.6037    5.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6288   -1.4884    7.9616 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4595   -1.3078    8.6198 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4623   -5.0061    1.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6687   -4.9262    0.9562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6323   -3.7091    1.0926 S   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5929   -2.3916    2.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1151   -4.3104    1.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8023   -5.9611   -1.3521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4803   -6.3775   -2.6005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7396   -6.5413   -0.7591 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 11 22  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  2  0  0  0  0
 10 24  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
  8 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
$$$$
COVPDB1114
  Mrv2015 05262115573D          

 29 31  0  0  1  0            999 V2000
   -2.6673    6.3715   -3.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9267    5.0833   -2.7102 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5017    3.9615   -3.6392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5365    3.5002   -4.5969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7019    2.4657   -5.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8048    1.8739   -5.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6314    2.1014   -6.2168 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6039    0.9958   -7.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2122    0.3292   -7.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2023   -0.7679   -8.1420 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8687    5.2842   -1.4511 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3731    4.2985   -0.5423 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0092    4.0356   -0.2505 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5455    2.7258    0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9911    1.5322    0.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6240    1.2896    0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1302   -0.0327    0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2574   -0.2603    0.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1493    0.8225    0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6281    2.1237    0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2830    2.3057    0.4311 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8325    3.1240   -0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9478    2.5575   -0.0849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3753    4.4639   -1.9070 S   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7422    3.1647   -2.5989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2791    5.6237   -1.7663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8778    6.6063   -0.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0484    7.2635   -0.6067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8310    7.1303   -0.3362 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 14 22  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  2  0  0  0  0
 13 24  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 11 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
$$$$
COVPDB1115
  Mrv2015 05262115443D          

 43 44  0  0  1  0            999 V2000
   -9.7788   -6.9725    7.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2269   -8.1251    6.8373 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.3408   -9.3493    7.5753 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8759  -10.5058    7.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8391  -11.7051    7.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3784  -10.5774    5.9489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2925   -8.3106    5.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7149   -8.0809    4.5413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0328   -8.7860    5.9320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0374   -9.1725    4.9720 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5767   -8.0262    4.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6352   -6.9592    4.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4257   -5.6919    3.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6317   -4.4979    4.3693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0042   -5.8961    2.6838 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9727   -5.0013    1.5588 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8932   -3.7366    1.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2060   -3.1100    0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9195   -1.7349    0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2465   -1.1200   -1.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8108    0.2260   -0.9035 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5585   -4.7270    1.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0028   -5.4622    0.3394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8715   -3.6974    1.7573 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5181   -3.3512    1.4489 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2353   -2.6685    0.0688 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5707   -2.3558   -1.1368 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1140   -0.6726   -0.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9925    0.2263   -0.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0144    1.4986   -0.7961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0756    2.3398   -1.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8497    3.6528   -1.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2479    2.0583   -0.6828 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9456   -0.2085    0.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0012   -1.4803    0.8093 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1573   -2.0481    2.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1237   -1.6040    3.1749 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1675    0.5455    0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2223   -0.0379    1.3898 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2774    1.7707    0.5329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4580  -10.4109    4.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3874  -10.3987    3.2811 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9552  -11.5193    4.5616 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 29 34  2  0  0  0  0
 34 35  1  0  0  0  0
 26 35  1  0  0  0  0
 35 36  1  0  0  0  0
 25 36  1  0  0  0  0
 36 37  2  0  0  0  0
 34 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 10 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
M  END
$$$$
COVPDB1116
  Mrv2015 05262115513D          

 27 29  0  0  1  0            999 V2000
    1.3801   -0.1170   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0249    0.1135    0.0650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3910    0.5905    1.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4471    0.8170    2.1781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7290    0.7642    1.4504 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3798    1.2116    2.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8215    2.1173    3.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    2.5102    4.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8219    2.0232    4.7811 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4317    1.1612    3.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7346    0.7301    4.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4365    0.9920    5.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1257    1.6719    6.5182 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.4994    1.4296    6.7896 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3298    2.1317    7.7324 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.8000    1.2408    8.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1212    1.1133    9.0751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0022    0.5667    9.5075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5210    3.4294    8.1506 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.7416    3.3047    9.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3713    4.7336    8.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2829    3.4719    6.7792 S   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8835    4.1214    7.2067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8941    4.1577    5.4659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7158    0.7353    5.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7199    0.2317    5.1110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7019    0.7520    2.7764 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 14 25  1  0  0  0  0
 12 25  1  0  0  0  0
 25 26  2  0  0  0  0
 10 27  4  0  0  0  0
  6 27  4  0  0  0  0
M  END
$$$$
COVPDB1117
  Mrv2015 05262115473D          

 62 65  0  0  1  0            999 V2000
   -1.7766   -5.0539  -10.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5377   -3.7022  -10.3216 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5228   -2.9385  -11.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0031   -2.8411   -9.1135 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9394   -3.6468   -7.9155 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8929   -3.6987   -7.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0789   -2.9163   -7.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8237   -4.7186   -5.9433 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9299   -6.1701   -6.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3161   -6.5780   -7.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2943   -7.9707   -7.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3358   -8.2398   -9.1794 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2843   -8.9303   -7.0501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7401   -4.4332   -4.8647 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6683   -5.0017   -3.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452   -5.9200   -3.3757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4778   -4.5192   -2.4658 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9880   -4.3203   -2.7849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7863   -4.0913   -1.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3326   -2.8785   -1.3153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9581   -5.0124   -0.7311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8901   -3.2829   -2.0346 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4507   -2.9866   -0.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5668   -3.7813    0.1782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543   -1.7719   -0.6321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2562   -1.2420    0.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3340    0.0792    0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7360    0.2461    0.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2900    1.5089   -0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5015    1.2000   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6071    1.5778   -7.9839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1616    1.5413   -9.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9742    0.9811   -9.7183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8621    2.0206  -10.3152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9721    0.1940   -6.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4887    1.2167   -5.9326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4509   -1.1162   -5.9522 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4934   -1.1018   -4.9683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8737   -1.5229   -6.2908 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1591   -2.9635   -6.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.0762   -2.4403   -8.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.0233   -3.5271  -10.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
  4 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 36 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  4  0  0  0  0
 51 52  4  0  0  0  0
 52 53  4  0  0  0  0
 53 54  4  0  0  0  0
 54 55  4  0  0  0  0
 50 55  4  0  0  0  0
 48 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  4  0  0  0  0
 58 59  4  0  0  0  0
 59 60  4  0  0  0  0
 60 61  4  0  0  0  0
 61 62  4  0  0  0  0
 57 62  4  0  0  0  0
M  END
$$$$
COVPDB1118
  Mrv2015 05262115473D          

 55 57  0  0  1  0            999 V2000
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    0.9442   -0.1405    0.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 19 21  2  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
  4 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
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 38 40  2  0  0  0  0
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 41 42  2  0  0  0  0
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 43 44  1  0  0  0  0
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 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  4  0  0  0  0
 51 52  4  0  0  0  0
 52 53  4  0  0  0  0
 53 54  4  0  0  0  0
 54 55  4  0  0  0  0
 50 55  4  0  0  0  0
M  END
$$$$
COVPDB1119
  Mrv2015 05262115473D          

 55 57  0  0  1  0            999 V2000
   -2.2466   -5.0457  -10.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9697   -3.6746  -10.3871 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -6.3186   -6.5082  -11.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4623   -5.8750  -12.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1628   -4.9450  -11.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7235   -4.6523   -9.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
  4 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 36 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  4  0  0  0  0
 51 52  4  0  0  0  0
 52 53  4  0  0  0  0
 53 54  4  0  0  0  0
 54 55  4  0  0  0  0
 50 55  4  0  0  0  0
M  END
$$$$
COVPDB111
  Mrv2015 05262115583D          

 24 25  0  0  0  0            999 V2000
    1.2016    5.4067   -0.5371 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0273    3.7394   -0.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8976    3.2228    1.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6895    1.8454    1.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6129    0.9685    0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8119    1.4783   -1.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8176    0.4498   -2.5547 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0053    2.8620   -1.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3589   -0.3649    0.3156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0545   -0.6910    0.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273   -2.1457    0.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3314   -2.8503    0.7604 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5749   -2.7440    0.2565 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7114   -4.1934    0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9602   -4.7264    0.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2583   -4.0058    0.5237 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0594   -2.4726    0.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7721   -1.9798   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4822   -4.3787    1.2812 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0564   -6.0401    1.0885 S   0  0  1  0  0  0  0  0  0  0  0  0
   -7.1299   -6.4066   -0.4724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0293   -7.0407    1.8103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6275   -6.2487    1.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5208   -5.2626    1.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  2  8  4  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
$$$$
COVPDB1120
  Mrv2015 05262115473D          

 60 62  0  0  1  0            999 V2000
    5.3179    8.1013    6.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0673    6.9444    5.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2110    5.6331    6.5259 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1968    4.6448    5.8357 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8377    4.9814    6.9385 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9678    3.7632    7.6897 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5289    3.6346    8.9273 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0242    4.6083    9.5369 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6150    2.4307    9.5584 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7829    1.2918    9.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1567    0.0842   10.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4404   -0.0876   10.6641 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7691   -1.2737   11.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8168   -2.2995   11.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5338   -2.1378   10.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2089   -0.9568   10.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9238    4.7403    5.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8661    5.4113    5.7134 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2311    3.8174    4.8281 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4607    3.5095    3.6503 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3662    3.5706    2.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    4.9821    2.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6373    5.0594    0.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7263    4.2956    0.5564 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2316    5.8298   -0.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8077    2.1785    3.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9535    1.9013    2.8822 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1320    1.3092    4.7585 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6153    0.0017    5.0705 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1412   -0.3170    4.6277 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9813   -1.0050    3.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121   -1.1656    5.5891 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6118   -1.0674    4.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3219   -2.2459    5.0951 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8424   -0.7908    4.2469 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8252   -1.6628    4.1250 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6888   -1.8350    5.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0446   -2.6116    6.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6436   -2.0139    7.4926 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8389   -3.8377    6.2043 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465   -2.3037    2.9252 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9366   -3.1807    2.8187 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347   -1.9695    1.6755 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9839   -3.1087    0.8793 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8908   -2.3892    1.4648 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0700   -1.8132    0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3883   -2.6076   -0.2987 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801   -0.4652    0.1728 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3807    0.2756   -0.8374 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6184   -0.2451   -2.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9427    0.4385   -0.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5187    1.5683   -0.1617 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0913   -0.6190   -0.5840 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103   -0.5710   -0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8775   -1.9367   -0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5536   -2.9261    0.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0739   -4.2287    0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9267   -4.5593   -0.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2535   -3.5887   -1.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7339   -2.2853   -1.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
  5 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 20 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 36 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  4  0  0  0  0
 56 57  4  0  0  0  0
 57 58  4  0  0  0  0
 58 59  4  0  0  0  0
 59 60  4  0  0  0  0
 55 60  4  0  0  0  0
M  END
$$$$
COVPDB1121
  Mrv2015 05262115453D          

 27 27  0  0  1  0            999 V2000
    3.3188    9.7444    0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8323    9.3810   -1.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4668    8.6437   -1.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9385    8.4045   -2.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5002    7.8053   -2.6861 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1177    7.9742   -4.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1560    8.6568   -4.1829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6159    6.4404   -2.2575 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1173    5.3275   -2.8724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7071    5.4343   -3.8115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5785    3.9624   -2.4939 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0599    3.8785   -1.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1511    4.3119   -3.0297 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5123    4.6076   -2.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3330    3.2610   -4.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4006    3.3401   -1.6512 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5812    3.4948   -0.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1669    4.2060    0.3978 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6162    2.8844    0.3355 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6091    2.0338   -0.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5521    1.5861    0.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9301    1.9061    0.7499 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8107    1.4514    1.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3220    0.6779    2.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4818    0.0657    4.1405 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9521    0.3630    2.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0732    0.8174    1.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  1  0  0  0  0
 24 26  4  0  0  0  0
 26 27  4  0  0  0  0
 21 27  4  0  0  0  0
M  END
$$$$
COVPDB1122
  Mrv2015 05262115433D          

 41 44  0  0  1  0            999 V2000
   -7.5258    9.5724   -1.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3612    9.5372   -3.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7555    9.4366   -2.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3139    9.3695   -1.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4788    9.4020   -0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0796    9.5003   -0.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9864    9.4203    0.8029 S   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8551   10.5537    0.6791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8020    9.6539    2.1678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2567    7.8321    0.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7837    6.8231    1.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4116    5.4238    1.2975 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2778    4.8611    0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8225    4.9551    0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5936    4.1215   -0.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4527    4.8199    2.6053 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6767    3.5497    3.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5381    3.4656    4.3028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0550    2.3269    2.2964 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.6690    1.1836    3.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2651    0.0737    2.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4456    0.2885    1.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9782   -0.7299    0.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3414   -1.9812    0.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1773   -2.2161    1.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6466   -1.1988    2.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8951    1.8074    1.6265 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8964    1.0876    0.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9549    1.0918   -0.2172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8196    0.3059    0.0539 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9369   -0.5877   -1.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7114   -0.5130   -2.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3807   -0.7212   -1.2552 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3159    0.3215   -0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5719    0.2374    0.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0928   -0.6801   -2.0435 N   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1089   -0.0734   -3.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3212    0.0605   -3.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0330   -1.1894   -3.9182 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.7029   -2.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2620   -1.9217   -1.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 30 35  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 36 41  1  0  0  0  0
M  END
$$$$
COVPDB1123
  Mrv2015 05262116113D          

 32 35  0  0  0  0            999 V2000
    0.7436  -13.3695   -1.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5864  -12.2895   -0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6733  -10.9560   -0.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6964  -10.7846   -2.0119 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7514   -9.8242    0.0577 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0191   -8.4999   -0.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0214   -7.4398   -0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1154   -7.3841    1.5047 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4151   -8.8215    2.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6294   -9.8496    1.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1639   -6.3415    2.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7346   -4.9815    1.8261 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4487   -3.8768    2.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7660   -4.0262    2.5320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5464   -2.9923    2.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0097   -1.7558    3.0226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7069   -1.5192    2.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2668   -0.2552    2.9247 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8651   -2.5792    2.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5062   -2.3179    2.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8647   -1.3450    1.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2124   -1.0166    0.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2331   -1.6642    1.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8878   -2.6594    2.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5380   -2.9765    2.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5468   -1.3445    1.3173 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9653   -0.3416    2.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5572   -0.6517    3.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9882    0.3775    4.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8412    1.7227    3.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2674    2.0387    2.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8368    1.0104    1.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 17 19  4  0  0  0  0
 13 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
M  END
$$$$
COVPDB1124
  Mrv2015 05262116133D          

 28 31  0  0  1  0            999 V2000
   -2.1974   -4.8121    6.1054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2496   -3.8140    7.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4132   -3.7441    7.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5482   -2.7506    8.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5117   -1.8255    8.9987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3524   -1.8758    8.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4156   -0.9972    8.4449 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2087   -2.8570    7.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0693   -2.8707    6.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6002   -4.0362    6.1055 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6687   -4.1563    5.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3830   -1.7139    5.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4922   -1.7913    4.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483   -3.0334    4.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9788   -0.6764    4.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5099    0.4746    4.1822 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9312   -0.8320    3.1267 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5764   -1.9204    2.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3040   -3.1472    3.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5187   -1.9455    1.7357 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0976   -0.5794    1.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0258   -0.0125    0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2048   -1.1401   -0.0228 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7789   -2.3689    0.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9737   -1.0565   -0.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3192   -2.1053   -0.8662 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3952    0.1482   -1.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0850    0.4068   -0.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  9 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 11 14  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
$$$$
COVPDB1125
  Mrv2015 05262116133D          

 28 31  0  0  1  0            999 V2000
   -4.5773   -2.5024    9.5399 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4954   -2.5826    8.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3780   -3.5850    7.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2157   -3.6670    7.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1498   -2.7464    7.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2781   -1.7492    8.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3245   -0.8834    8.4485 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4433   -1.6696    9.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -2.8277    6.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4468   -1.6945    5.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6898   -4.0481    6.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7811   -4.1408    5.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2118   -3.0169    4.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5388   -1.7804    4.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3487   -3.1335    3.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6093   -1.9089    2.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9421   -0.8295    3.0763 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9858   -0.6761    3.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4753    0.4624    4.0800 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553   -1.9336    1.7029 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1297   -0.5681    1.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -0.0074    0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2155   -1.1375   -0.0256 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8192   -2.3640    0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555   -1.0525   -0.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2767   -2.0986   -0.7445 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3823    0.1510   -0.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0707    0.4160   -0.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  2  8  4  0  0  0  0
  5  9  1  0  0  0  0
  9 10  4  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
$$$$
COVPDB1126
  Mrv2015 05262115453D          

 14 14  0  0  1  0            999 V2000
    1.3229    5.4585    2.8022 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7566    4.1939    2.3172 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9245    3.7825    1.2301 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6790    2.8767    0.4110 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0903    1.4443    0.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2800    1.4895    0.0595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0533    0.0915    0.0148 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3470   -0.8810   -1.0178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0334   -0.5892    1.4451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4402    0.3275   -0.4022 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1666    2.9904    0.8400 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0518    3.1200   -0.2712 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1888    4.2227    1.7582 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4514    5.4245    1.0325 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
$$$$
COVPDB1127
  Mrv2015 05262116073D          

 41 42  0  0  1  0            999 V2000
   -2.9050   -0.3884    7.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6518   -1.1861    6.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6552   -0.3560    5.0877 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5973    0.8088    5.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1433    0.3185    4.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1590   -0.3881    3.5993 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9087   -1.6248    3.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4024   -1.2923    3.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3673    0.1582    2.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1151    1.1636    2.4914 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0104   -0.3515    1.2249 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3410    0.0665   -0.1170 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8598   -0.1516   -0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655    1.5539   -0.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5043   -0.8565   -1.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9175    0.2994    4.8271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2285   -0.2593    4.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5800   -1.3801    5.1753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2912    0.3357    4.0284 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3226    1.5193    3.2084 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9890    2.3117    2.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0316    3.5450    2.0262 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5963    4.0985    1.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9739    4.6836    2.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9221    1.1081    1.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0328    1.5916    1.5895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2512    0.2352    1.0965 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6064   -0.2187   -0.2264 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.0096   -0.9014   -0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1807   -2.1857    0.5434 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.4544   -3.4449   -0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5606   -4.4402   -0.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7509   -3.8419    0.0229 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5770   -2.6396    0.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5214   -1.9791    1.0651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4107    0.8738   -1.3273 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0866    2.0869   -1.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6493    1.2487   -1.6646 S   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5463    2.6932   -2.5748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8154    1.4294   -0.3112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0089    0.0651   -2.5337 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 30 34  1  0  0  0  0
 34 35  2  0  0  0  0
 28 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 38 41  2  0  0  0  0
M  END
$$$$
COVPDB1128
  Mrv2015 05262115593D          

 18 19  0  0  0  0            999 V2000
   -1.0039   -1.1487   -0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1972    0.0936   -0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    0.0334   -0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9834    1.2108   -0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541    2.4698   -0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0523    2.5399   -0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8211    1.3618   -0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3169    3.9589   -0.0371 S   0  0  1  0  0  0  0  0  0  0  0  0
    3.8159    3.6760   -0.5411 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6637    5.0687   -0.9971 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3533    4.5543    1.6266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8389    3.8520    2.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6711    4.6763    3.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0790    5.8583    3.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    5.7605    2.0288 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7441    6.9145    4.0944 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2433    7.8401    3.5908 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9529    6.9692    5.3449 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  2  16   1  18  -1
M  END
$$$$
COVPDB1129
  Mrv2015 05262116033D          

  9  8  0  0  0  0            999 V2000
   -5.1743   -4.9401   -0.4165 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8493   -3.5882    0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3815   -3.2392   -0.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9564   -1.8161    0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4654   -1.5113   -0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1308   -0.1883    0.2816 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1197    0.3364    0.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2678    1.6132    0.7350 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1400   -0.3063   -0.0224 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
$$$$
COVPDB112
  Mrv2015 05262115583D          

 27 29  0  0  0  0            999 V2000
    1.5365    0.3618    2.2576 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4926    0.5658    3.6427 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7276   -0.4850    3.1453 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3910   -0.9741    1.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1653   -0.4955    1.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1573   -1.8974    1.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6458   -2.4688    1.7804 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6665   -2.3507   -0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336   -1.8812   -0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9119   -2.4689   -2.0473 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6764   -0.9247    0.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5092   -0.4531   -0.3464 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2693    0.9266   -0.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0508    1.2107   -1.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8805    0.2664   -1.2793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3929    2.4289   -1.8655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6817    2.6178   -2.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3871    3.9416   -2.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4339    5.1571   -2.2819 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1422    4.8837   -1.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4760    3.5597   -1.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0219    6.4284   -1.8018 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2485    7.1556   -2.8463 S   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7724    7.0703   -4.3765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6200    6.3403   -2.6759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5036    8.8232   -2.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5296    9.5937   -1.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  4  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
  5 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
$$$$
COVPDB1130
  Mrv2015 05262116053D          

 41 43  0  0  1  0            999 V2000
    1.6653   -0.1549   -0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2356   -0.0898   -0.1144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1767    0.5674    1.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4065    1.9587    0.9851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8920    2.6218    2.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1582    1.9048    3.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6061    2.5722    4.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0455    2.6661    4.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4418    3.5772    5.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9766    3.6564    5.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4844    4.8316    7.2256 S   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5957    4.5858    8.5356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2747    6.3377    6.7216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2041    4.5614    7.5464 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7204    4.9525    8.8874 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.2781    5.0856    8.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8685    5.8406    7.5834 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.3443    7.3038    7.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9332    8.0209    6.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4829    7.9926    6.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0233    6.5477    6.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4329    5.8390    7.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2995    4.0105    9.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5523    4.3024   11.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6257    2.8713    9.6320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8364    1.9553   10.4108 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2885    2.4923   11.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    1.9001   12.2526 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5467    2.2456   13.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1229    2.8492   13.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8216    2.9508   12.3198 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7565    2.4363   11.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6050    2.4116   10.2802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4956    0.5326   10.4118 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2896    0.3132   11.5750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3250   -0.8731   10.2169 S   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9703   -1.5589   11.7405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9490   -0.4260    9.5291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0015   -2.0203    9.3258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9163    0.5151    3.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4285   -0.1509    2.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 15 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  2  0  0  0  0
 26 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 36 39  2  0  0  0  0
  6 40  4  0  0  0  0
 40 41  4  0  0  0  0
  3 41  4  0  0  0  0
M  END
$$$$
COVPDB1131
  Mrv2015 05262116053D          

 37 38  0  0  1  0            999 V2000
   -8.8744    1.6843    6.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4480    2.2792    6.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6253    1.8470    5.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1933    2.4503    5.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3851    2.0150    4.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9570    2.6195    4.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2148    2.2042    2.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8050    2.8257    2.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0701    2.5061    1.1639 S   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6382    3.5463    0.0866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3997    1.0081    0.6950 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6660    2.7552    1.3198 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    2.2031    0.2161 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8489    2.9632    0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7339    4.5292    0.2045 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9199    5.0878   -1.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8650    6.6377   -1.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2804    7.2638   -0.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0819    6.7360    0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1481    5.1863    0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6218    0.7191    0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7599    0.0848   -0.7670 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4635    0.1240    1.5261 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9514   -1.1669    1.9303 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8683   -2.3069    0.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8026   -3.4356    1.0472 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8914   -4.5390   -0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5538   -4.7977   -0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3008   -3.7595    0.0517 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6050   -3.0162    0.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1548   -2.1025    1.5683 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6589   -1.5459    3.2810 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8994   -2.2127    3.0570 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6536   -2.4869    4.4988 S   0  0  2  0  0  0  0  0  0  0  0  0
    1.8854   -4.1712    4.3216 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0928   -2.1551    4.3578 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1289   -2.1118    5.9839 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  2  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 34 37  2  0  0  0  0
M  END
$$$$
COVPDB1132
  Mrv2015 05262116033D          

 48 52  0  0  0  0            999 V2000
   -4.3211   -4.9984   -1.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9064   -4.8671    0.2093 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1934   -4.7546    1.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2003   -6.2168    0.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0340   -3.6262    0.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5422   -2.3397    0.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7670   -1.1714    0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4296   -1.2233    0.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9092   -2.4929    0.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6952   -3.6584    0.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6551   -0.0328    0.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2405    1.0316    1.0688 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6975   -0.0443    0.5201 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5638    1.0250    0.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1494    2.2595   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0110    3.3621   -0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3214    3.2445    0.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7785    2.0246    0.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9006    0.9016    0.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4023   -0.3642    1.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1326    1.9946    1.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5016    2.2650    2.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8195    2.3290    3.0462 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1620    2.5982    4.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8128    2.1639    2.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0206    2.2362    2.4432 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5106    1.9147    0.7468 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1529    1.7598    0.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5427    1.8211   -0.1519 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5493    2.0275   -1.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5980    1.4201   -2.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6726    1.5244   -3.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6941    2.2378   -4.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6536    2.8969   -3.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6119    2.8059   -2.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6837    3.5613   -4.3350 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1173    4.7720   -4.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5624    5.4794   -3.1096 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0638    5.2837   -4.7925 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3862    4.6143   -5.7366 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7965    2.2505   -5.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8641    1.6945   -6.3920 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9368    2.8228   -6.4244 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1682    2.5242   -7.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4808    3.7872   -8.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5808    4.5163   -8.0947 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3203    4.9745   -6.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9994    3.6930   -5.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 23 25  4  0  0  0  0
 25 26  2  0  0  0  0
 25 27  4  0  0  0  0
 27 28  4  0  0  0  0
 21 28  4  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 30 35  4  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 33 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 43 48  1  0  0  0  0
M  END
$$$$
COVPDB1133
  Mrv2015 05262116113D          

 15 15  0  0  0  0            999 V2000
   -2.8975   -6.1272   -4.1453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3395   -4.9572   -3.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1782   -4.6876   -4.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0593   -4.1105   -2.9872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5918   -2.9673   -2.5522 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9271   -2.8674   -1.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8209   -3.8547   -0.6155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3386   -1.6750   -1.0891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6143   -1.3812    0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0646   -0.0654    0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6891    1.1299   -0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0450    2.3803   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3600    2.4508   -0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1206    1.2702   -0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4775    0.0213   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
M  END
$$$$
COVPDB1134
  Mrv2015 05262115453D          

 17 17  0  0  1  0            999 V2000
    3.5748   -0.8384   -1.4294 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4413    0.4097   -1.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4843    1.0520   -2.1953 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1020    0.9864   -2.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7263    2.1786   -1.2654 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3774    2.6779   -1.3057 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6764    2.3633   -2.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5609    1.5000   -3.0253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9309    3.0281   -1.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1261    2.4776   -2.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3080    3.1354   -2.4055 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4224    4.3376   -1.7886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2827    4.9436   -1.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4085    6.5995   -0.3916 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0460    4.2812   -1.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004    3.3539   -1.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3980    3.7429   -0.5989 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
 13 15  4  0  0  0  0
  9 15  4  0  0  0  0
  5 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
$$$$
COVPDB1135
  Mrv2015 05262115483D          

 16 16  0  0  0  0            999 V2000
   -1.5890   -4.4505   -2.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6353   -4.2284   -0.6647 N   0  3  1  0  0  0  0  0  0  0  0  0
   -2.5163   -5.3026   -0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2402   -4.4577   -0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1286   -2.8554   -0.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5121   -2.5505   -0.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9745   -1.2430   -0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0637   -0.1808   -0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6746   -0.3924   -0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2565   -1.7268   -0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517    0.7107   -0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2040    1.8657    0.0875 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7289    0.5947   -0.2408 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3778    1.8006   -0.0983 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662    0.1158   -1.4837 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2340   -0.2372    0.7295 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  CHG  1   2   1
M  END
$$$$
COVPDB1136
  Mrv2015 05262115423D          

 21 21  0  0  1  0            999 V2000
    1.4897   -1.7580   -2.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0614   -1.2528   -0.7208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1437   -0.0221   -0.4917 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6263   -2.1377    0.2181 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2512   -1.8423    1.5702 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8314   -2.8792    2.0318 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9985   -2.8697    3.4721 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1949   -3.0793    4.2615 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2041   -2.9438    5.6233 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043   -1.9414    3.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4280   -1.8888    2.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6012   -1.9271    2.0392 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7333   -4.4579    4.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0111   -4.6921    3.7104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0123   -5.4455    4.2906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2402   -2.6603    1.3895 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7152   -1.3494    1.6974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3029   -3.7073    1.8577 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8762   -5.0288    1.5221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7196   -3.5024    1.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3416   -2.3325    1.7828 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  6 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$
COVPDB1137
  Mrv2015 05262115463D          

 20 21  0  0  0  0            999 V2000
    4.9084   -0.8840    1.7653 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8904    0.3981    0.9304 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.9515    1.7521    1.6390 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0505    0.3286   -0.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0861    1.2108   -1.2800 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1606    0.8897   -2.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1229   -0.2501   -2.7479 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1830    1.8407   -2.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3206    2.3609   -1.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2907    3.2579   -1.9551 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0797    3.6221   -3.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4571    2.0208   -0.2896 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6372    0.8989    0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7626    0.6932    1.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0098    2.2574   -3.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9344    3.1390   -4.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8734    1.8444   -5.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555    2.2458   -6.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5782    3.0880   -6.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7244    3.5393   -5.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  8 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 15 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
M  END
$$$$
COVPDB1138
  Mrv2015 05262115463D          

 26 27  0  0  1  0            999 V2000
   -9.4688   -7.5798   -0.5659 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7073   -7.6684   -1.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8344   -7.7836   -2.3989 N   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0059   -6.5679   -2.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7631   -6.7218   -1.6976 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5749   -8.2532   -1.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8570   -8.8802   -2.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5966   -6.1071   -2.2572 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8965   -5.0442   -1.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2883   -4.4283   -0.7464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6640   -4.6285   -2.4930 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5840   -5.7629   -2.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3532   -5.5250   -3.4361 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7646   -6.5628   -3.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7281   -5.5707   -4.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1198   -3.3520   -2.1018 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5399   -3.0213   -0.9143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4916   -3.8239    0.0479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9790   -1.7759   -0.8083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2843   -1.2571    0.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2858    0.0859    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5657    1.2027   -0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0314    2.4875   -0.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3630    2.6713   -0.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2216    1.5676   -0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6863    0.2851   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
M  END
$$$$
COVPDB1139
  Mrv2015 05262116103D          

 35 38  0  0  1  0            999 V2000
   -5.8586   -3.0921    1.0688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7127   -2.5170    0.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7566   -1.2750    0.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5715   -3.2945    0.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2892   -2.8372    0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0994   -3.7042    0.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3342   -5.1618   -0.7119 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9437   -5.7172   -0.0691 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9822   -6.3769   -1.0269 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5512   -6.5226   -2.3821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3319   -6.9145   -3.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5234   -7.2660   -3.2470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7786   -6.8676   -4.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5641   -7.6938   -4.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2354   -7.2582   -4.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2560   -8.2466   -5.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7476   -9.5252   -5.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4975   -9.4143   -5.2854 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7276   -5.1401   -0.8083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8201   -4.7417   -1.2724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7795   -4.5647   -0.0487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9957   -1.5294    0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6666   -0.6903   -0.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220    0.6323   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3571    1.5821    0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0595    2.9476    0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7233    3.4139    0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3044    2.4447    0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0355    1.0600   -0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0689    0.2155   -0.1812 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0510    0.4771   -0.9440 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1309   -0.7863    0.4158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4467    4.7253    0.3432 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.3525    5.6130    0.4368 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6431    5.1462    0.3900 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 14 18  4  0  0  0  0
  9 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  4 21  1  0  0  0  0
  8 21  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 27 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
M  CHG  4  30   1  31  -1  33   1  34  -1
M  END
$$$$
COVPDB113
  Mrv2015 05262115583D          

 24 25  0  0  0  0            999 V2000
    1.6242   -0.0379   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2022    0.1726    0.0068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2343    0.8571    1.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1811    2.2665    1.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6629    2.9864    2.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5395    4.6798    2.2191 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2212    2.2884    3.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8203    3.0946    4.7130 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2796    0.8790    3.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7926    0.1519    2.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8339   -1.2119    2.1364 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9728   -2.0172    2.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7526   -3.4870    2.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5730   -3.8773    2.2365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7757   -4.4209    2.5839 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1729   -4.0708    2.7876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7195   -4.7113    4.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4174   -6.1359    4.1557 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0127   -6.4538    3.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5220   -5.8513    2.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3623   -7.1423    4.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0034   -8.3407    4.2706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6914   -6.9367    4.7769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6649   -7.8603    4.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
  3 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
$$$$
COVPDB1140
  Mrv2015 05262116113D          

 41 44  0  0  0  0            999 V2000
   11.9156  -10.8156   -3.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9349  -11.3600   -4.8755 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4578  -12.1183   -5.9971 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5625  -11.1508   -4.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7585  -11.6375   -5.5269 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0109  -10.4178   -3.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7177  -10.0649   -3.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2590   -9.2798   -2.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8327   -8.9024   -2.4990 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4064   -7.9157   -1.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9147   -7.5704   -1.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6561   -6.5049   -0.6950 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3537   -6.1174   -0.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6991   -5.4454   -1.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3712   -5.0271   -1.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2896   -5.2407   -0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4273   -5.9249    0.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7005   -6.3369    0.5535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5854   -4.7436   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6787   -3.3545   -0.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9331   -2.4532    0.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4259   -2.8386   -1.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4097   -1.4628   -1.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6303   -0.6044   -0.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9161   -1.0907    0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4174    0.7178   -0.9413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102    1.0639    0.0171 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2671    0.0138    0.7835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5311    0.0434    1.8108 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6244   -5.5443    0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9535   -5.0207    0.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1418   -5.5211   -0.0976 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2735   -4.7965    0.1914 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4363   -6.8427    0.1464 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8833   -5.3721   -1.4392 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4798   -6.9496    0.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1906   -7.6861   -0.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0303   -9.0852   -0.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1623   -9.7749    0.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4528   -9.0652    1.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6099   -7.6658    1.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 20 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 21 25  4  0  0  0  0
 24 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 25 28  4  0  0  0  0
 28 29  1  0  0  0  0
 19 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 30 36  1  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 36 41  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  27
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1141
  Mrv2015 05262115513D          

 23 24  0  0  1  0            999 V2000
    3.9806    2.5459   -0.2025 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0639    3.0131    0.7818 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1896    4.5139    1.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7696    4.8953    1.5415 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8882    3.7991    1.2100 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    2.8995    0.3411 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0409    1.4585    0.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3420    1.4280    0.0419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0084   -0.0256    0.0429 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2454   -0.9611   -0.9849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9116   -0.6629    1.4913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4189    0.0760   -0.3492 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7656    5.2219    2.9604 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5733    4.2428    3.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5941    4.4991    5.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3965    3.5129    6.1973 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1797    2.3045    5.8628 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4057    3.6870    7.3522 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8361    5.8500    5.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8854    6.2460    6.8434 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0295    6.7953    4.7105 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0002    6.5030    3.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2093    7.4618    2.6125 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 15 19  4  0  0  0  0
 19 20  2  0  0  0  0
 19 21  4  0  0  0  0
 21 22  4  0  0  0  0
 13 22  4  0  0  0  0
 22 23  2  0  0  0  0
M  CHG  2  16   1  17  -1
M  STY  1   1 DAT
M  SAL   1  1  21
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1142
  Mrv2015 05262116063D          

 29 32  0  0  1  0            999 V2000
    2.4192    3.4360   -1.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1035    4.1994   -2.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1877    3.3581   -2.7828 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0232    3.9446   -3.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1145    4.6993   -4.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3398    5.2465   -4.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5079    5.0125   -3.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7506    5.5096   -4.3683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9300    5.2440   -3.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8797    4.4744   -2.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6492    3.9877   -2.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4335    4.2527   -2.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1690    3.7532   -2.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0233    3.0383   -1.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4760    3.5067    0.0391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4085    1.8327   -1.0708 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3136    0.8860   -0.0123 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2597   -0.3373   -0.2304 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1933   -0.6523   -1.7672 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9810   -1.7717   -2.5833 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2408   -0.9002   -3.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7086   -2.9485   -3.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0196   -2.1983   -1.4047 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0863   -1.0464   -0.5672 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2337   -0.0736   -0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104    0.0430   -0.3101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3957   -3.4104   -0.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5533   -4.4668   -0.5605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4898   -3.4952   -0.0293 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 12 13  4  0  0  0  0
  4 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 17 25  1  0  0  0  0
 25 26  2  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
$$$$
COVPDB1143
  Mrv2015 05262115463D          

 33 34  0  0  1  0            999 V2000
    0.9321   -0.0525   -0.4044 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2147   -0.0762   -0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5768   -0.0941   -0.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0585    1.2424   -0.5028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3582    1.6164   -0.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2623    0.7745   -0.1444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7110    3.0514   -0.5100 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3918    3.4882   -1.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0803    4.7853   -2.5238 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8564    4.9135   -4.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6081    6.0808   -1.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9734    3.8736    0.4962 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3846    3.7683    1.9295 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0155    5.0657    2.7108 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3520    4.9595    4.0407 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7093    6.1410    2.2140 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6790    5.3758    2.6326 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7846    2.5582    2.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3948    2.3018    2.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8479    1.1223    3.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6739    0.1778    3.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0518    0.4413    3.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5990    1.6221    3.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1321   -1.0447    4.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0123   -2.1073    3.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4422   -3.3276    3.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0098   -3.5102    4.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1271   -2.4571    5.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6950   -1.2301    5.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7413   -5.0654    5.3310 S   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2984   -6.2525    5.0409 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -5.3119    4.4417 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1996   -5.1419    7.0252 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 21 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
 27 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
M  END
$$$$
COVPDB1144
  Mrv2015 05262115453D          

 14 14  0  0  0  0            999 V2000
   -3.3165    3.7815    0.1622 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1081    3.4000    0.0775 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.3496    4.2857   -0.0090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7338    2.0999    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3626    1.7398   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0990    0.3960   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4213    0.1320   -0.1063 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3068    1.0415   -0.2036 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8649   -0.9482   -0.1096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8861   -0.6223    0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5780   -1.8931    0.1125 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2495   -0.3015    0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6716    1.0382    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9590    1.2455    0.2883 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  6 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
  4 13  4  0  0  0  0
 13 14  1  0  0  0  0
M  CHG  4   1  -1   2   1   7   1   8  -1
M  END
$$$$
COVPDB1145
  Mrv2015 05262115433D          

 32 32  0  0  1  0            999 V2000
   -8.4001    1.9349    9.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4661    3.0454    9.1175 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.0039    3.6031    7.9163 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9327    4.8990    7.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6232    5.8247    8.3009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1207    5.1668    6.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1254    4.3968    5.3924 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8176    4.3653    4.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8677    3.5902    3.8240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4741    5.1618    2.9913 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.8404    4.7408    2.8575 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9016    5.5241    2.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0503    4.9540    2.3736 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8832    6.8031    2.7073 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7829    5.1351    1.5749 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.7387    3.7322    0.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0424    3.7855   -0.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6322    4.4211   -0.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6960    5.8347    0.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3724    5.8090    1.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0815    2.4976    8.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9824    2.7577    9.3563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0408    1.6998    7.6535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8813    1.2031    6.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3270    0.5212    5.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1650    0.0450    4.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8261   -0.5726    3.1792 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1697   -1.5402    2.3303 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1851   -0.1505    1.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8525   -0.6710    1.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0797    0.4706    0.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198   -0.0760    0.0837 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
$$$$
COVPDB1146
  Mrv2015 05262116143D          

 49 52  0  0  1  0            999 V2000
    4.6447    1.9906   -1.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    1.8831    0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9434    0.8087   -0.8111 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5179    0.8391   -0.7806 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7078    0.2365    0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759   -0.4881    1.0216 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2199    0.4875    0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3846    0.6041   -0.8049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5810    0.7669    1.5729 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3199    0.9021    2.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1810    2.1970    2.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0965    2.2630    4.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6967    3.6681    4.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6970   -0.1483    1.5781 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1954   -1.1093    2.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2412   -1.6261    1.9585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7014   -1.6643    3.7185 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1366   -3.0848    3.4733 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1094   -4.0575    4.1544 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6298   -4.0115    4.6060 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2335   -3.3673    5.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2565   -5.2045    4.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7758   -1.8181    4.6784 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1932   -3.1855    4.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3927   -0.8090    5.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4003   -1.1027    6.1082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9566    0.6188    5.4848 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4381    1.1394    6.8908 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8034    2.5612    6.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3266    0.1978    7.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5779    1.2592    7.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0183    1.4269    4.9531 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9201    2.3178    3.9218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8111    2.6363    3.4348 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9878    2.9210    3.3352 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3983    2.7426    3.5869 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.8000    3.2926    5.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2439    4.9885    5.4551 S   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6453    5.0880    5.3663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8778    6.0652    4.4476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7818    5.4405    7.1656 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.3358    5.3529    7.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1304    4.4746    8.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3079    6.9004    7.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7796    1.2217    3.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3033    0.9533    3.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9674    1.7885    2.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6316    3.2972    2.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1013    3.5254    2.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  2  0  0  0  0
 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 44  1  0  0  0  0
 36 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 36 49  1  0  0  0  0
M  END
$$$$
COVPDB1147
  Mrv2015 05262115563D          

 21 22  0  0  1  0            999 V2000
   -0.9196    3.7537    8.3477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1919    3.1533    7.2189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4627    3.2954    6.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8486    2.5987    4.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0907    2.7768    3.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9779    3.6359    3.7252 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    3.8687    2.4802 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9895    3.0452    2.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1308    2.9175    0.8164 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7732    4.0668    0.2656 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6594    2.8501    0.3540 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1149    1.4009    0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2908    1.4386   -0.0358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0357    0.0241   -0.0144 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3194   -0.9741   -1.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9713   -0.5845    1.4470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4349    0.2080   -0.4150 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8998    3.6180    1.3019 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3369    4.2816    4.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    5.0679    4.9467 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6279    4.1025    6.0299 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 11 18  1  0  0  0  0
  7 18  1  0  0  0  0
  6 19  4  0  0  0  0
 19 20  2  0  0  0  0
 19 21  4  0  0  0  0
  3 21  4  0  0  0  0
M  END
$$$$
COVPDB1148
  Mrv2015 05262116153D          

 43 45  0  0  1  0            999 V2000
    1.0690   -0.3565   -0.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9054    0.7708   -0.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3514    2.0612   -0.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0381    2.2265   -0.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8725    1.0958   -0.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3301   -0.2116   -0.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1859   -1.4118   -0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0029   -2.3485   -1.5035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6311   -3.5600   -1.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4679   -3.8798   -0.7137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3373   -4.4069   -2.6263 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9730   -5.6814   -2.8463 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3563   -5.9272   -4.3516 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5129   -6.9636   -4.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7442   -4.6764   -4.9842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3757   -4.3674   -6.3668 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9574   -5.3876   -7.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0222   -2.9750   -6.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8301   -4.2309   -6.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0739   -6.7410   -2.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0557   -6.8981   -2.8414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4864   -7.5470   -1.2957 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7803   -8.6918   -0.7951 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4988   -8.3839    0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3675   -7.7525    1.4874 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2621   -6.3255    1.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3480   -5.7064    2.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0358   -5.6676    3.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897   -7.0714    3.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7587   -7.7059    2.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7399   -9.6095   -0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8717  -10.7654   -0.5919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4578   -9.1867    0.9610 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3746   -9.9021    1.8128 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3404  -11.3814    1.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8684  -12.0829    2.6411 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8295   -9.3814    1.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0592   -7.9008    2.0408 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9842   -7.6681    3.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3355   -7.0382    3.9841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0626   -6.9490    2.7803 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4091   -7.4222    1.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9044   -7.4185    0.5691 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 12 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 30  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 34 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 38 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  END
$$$$
COVPDB1149
  Mrv2015 05262115473D          

 24 25  0  0  1  0            999 V2000
    1.4918   -0.0447   -0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0536    0.0045   -0.0490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4061    0.6206    1.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6374    2.0107    1.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0642    2.6477    2.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2920    1.8978    3.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0928    0.5017    3.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6562   -0.1353    2.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8463    2.6908    4.9302 S   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3403    4.2124    4.9973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2566    1.9298    6.2161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6813    2.6214    5.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4476    3.1089    3.7570 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2069    4.6373    3.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0007    5.1894    2.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5128    4.8871    2.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7763    3.3764    2.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9905    2.8034    3.8575 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3278    1.3556    4.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9433    0.9893    5.0499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9718    0.4448    3.0688 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2876   -0.9470    3.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5756   -1.6043    2.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9717   -2.1520    1.3484 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  3  0  0  0  0
M  END
$$$$
COVPDB114
  Mrv2015 05262115483D          

 19 18  0  0  0  0            999 V2000
   -9.4218    8.4540    5.7399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3498    7.3231    6.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0594    6.7772    6.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4160    5.8824    5.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0110    5.3293    6.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3811    4.6901    4.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5365    5.2418    3.9488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1156    6.5768    3.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7509    7.5144    4.4994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0162    4.3880    2.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0411    3.2851    3.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3287    2.6333    2.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0976    2.9266    1.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3013    3.9854    2.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7454    5.0196    2.7902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5610    2.0843    0.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2628    0.6177    1.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108   -0.1734    0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5475   -0.3129   -0.1053 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
$$$$
COVPDB1150
  Mrv2015 05262115523D          

 28 29  0  0  1  0            999 V2000
   -7.6334   -4.5844   -0.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1851   -4.2794   -0.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3551   -4.8088    0.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9825   -4.5043    0.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4254   -3.6601   -0.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2323   -3.1107   -1.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6103   -3.4396   -1.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6635   -2.2013   -2.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1244   -0.7188   -2.3647 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3829   -0.0128   -1.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0323    0.4657   -0.3222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0240    0.1203   -1.3325 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2347    0.8156   -0.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0844    0.4851   -0.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1957    0.2089   -0.5919 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0253    0.0596   -3.5674 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8714   -0.0182   -4.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7171   -0.9441   -4.6972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8747    0.9563   -5.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5007    0.8019   -6.9084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3848    2.0065   -7.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8943    2.3703   -8.9610 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8583    1.8742  -10.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2869    1.7181   -9.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0552    3.9242   -9.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6744    2.8139   -6.7885 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3671    2.2152   -5.6767 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6162    2.8739   -4.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 21 26  4  0  0  0  0
 26 27  4  0  0  0  0
 19 27  4  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$
COVPDB1151
  Mrv2015 05262115543D          

 12 12  0  0  0  0            999 V2000
   -3.9409    0.3507   -0.7412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3300    1.2042    0.3736 B   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1778    1.6197    1.5803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8535    1.7295    0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7974    0.8039    0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5486    1.2256   -0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567    0.3364   -0.1796 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7690    0.6863   -0.3227 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3932   -0.8205   -0.1394 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7876    2.6239   -0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2632    3.5534   -0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5848    3.1082    0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  6 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  4 12  4  0  0  0  0
M  CHG  2   7   1   8  -1
M  END
$$$$
COVPDB1152
  Mrv2015 05262115483D          

 44 46  0  0  1  0            999 V2000
   -7.1166    1.5223    5.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9504    1.6342    4.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4309    1.3228    3.1347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6980    1.3035    1.9877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4707    1.5560    1.9779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3990    1.0167    0.7333 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.1281   -0.2146    0.8013 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0570   -0.1646   -0.1507 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9604   -1.1143    0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1314   -2.0170    0.9913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7524   -1.1079   -0.4871 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2471   -0.1407   -1.4254 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7094   -0.3562   -1.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9191   -0.1769   -0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4344   -0.2316   -0.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5681   -0.2751   -0.6225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9137   -0.1189   -2.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5624    0.7873   -3.5520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8951   -1.0115   -3.0830 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8668   -0.9684   -4.1428 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9215    0.3012   -5.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1942    0.4046   -5.9891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5138    1.8941   -6.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7278    1.8316   -7.3585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3884    2.8940   -7.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5215    2.7030   -8.4342 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9877    4.0975   -7.6382 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8376   -2.2244   -4.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7927   -3.0280   -4.7983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8189   -2.4944   -5.7933 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7756   -3.6050   -6.7053 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2410   -3.1366   -8.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1309   -2.1593   -8.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3627   -2.4469   -9.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8799   -1.3266   -9.8906 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0347   -0.3105   -9.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1364    1.0406  -10.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0966    1.9172   -9.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9871    1.4410   -8.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8979    0.0798   -8.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9342   -0.7904   -8.9542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9363   -4.6756   -6.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4572   -5.8769   -5.7993 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7190   -4.4881   -5.8908 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  3  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 20 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 33 41  4  0  0  0  0
 36 41  4  0  0  0  0
 31 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  35
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1153
  Mrv2015 05262115483D          

 44 45  0  0  1  0            999 V2000
    3.1912    7.1191    1.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8506    5.8446    2.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625    5.2916    1.4675 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9142    3.9850    1.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2508    3.0776    1.6482 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9139    3.6502    0.0439 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0949    2.8663    0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3046    2.9072   -1.1977 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8091    1.6236   -0.8118 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2172    3.6210   -1.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9705    4.8244   -1.6559 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4687    2.9441   -2.8337 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2783    3.4456   -3.4658 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7977    2.4791   -4.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7398    2.3555   -5.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4730    1.6425   -6.7968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2620    3.6613   -2.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8961    4.8363   -2.1587 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8665    2.6159   -1.6134 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3351    2.7422   -0.2847 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1184    3.3007   -0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5687    3.5682    1.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7857    4.5154    1.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1033    4.7704    2.7597 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0163    5.6390    3.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708    6.3588    2.3835 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1714    5.8010    4.4472 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4349    1.4317    0.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1240    1.3416    1.4499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2562    0.3627   -0.0785 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3665   -0.9277    0.5370 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8429   -1.4087    0.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7988   -0.5382    1.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9081   -0.4290    2.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8879    0.4366    2.8547 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4304    0.9025    1.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4815    1.8178    1.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8538    2.1556    0.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1744    1.5913   -0.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1275    0.6643   -0.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7678    0.3249    0.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5821   -1.8600   -0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6334   -2.3714    0.5494 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -2.1805   -1.3224 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 20 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 33 41  4  0  0  0  0
 36 41  4  0  0  0  0
 31 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  35
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1154
  Mrv2015 05262115503D          

 22 23  0  0  0  0            999 V2000
  -10.3904    3.6890  -11.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7856    3.6577   -9.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3765    2.2194   -9.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0078    2.1188   -7.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9555    2.2873   -6.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7681    2.2577   -5.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7617    2.5003   -4.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1774    2.4232   -3.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8296    2.1252   -3.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6114    2.0188   -4.7734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8337    1.9626   -2.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6897    1.1832   -2.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6873    1.0175   -1.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8060    1.6427   -0.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9276    2.4485   -0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9390    2.5812   -1.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0201    3.1176    1.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0666    2.9924    2.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9822    3.8690    1.3444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7664    1.8631   -7.4703 N   0  3  0  0  0  0  0  0  0  0  0  0
   -6.9730    2.7961   -7.1366 O   0  5  0  0  0  0  0  0  0  0  0  0
   -7.3515    0.7729   -7.5310 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  6 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  CHG  2  20   1  21  -1
M  END
$$$$
COVPDB1155
  Mrv2015 05262115563D          

 25 28  0  0  0  0            999 V2000
    2.2664    9.9948   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9325   10.2491    1.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1929    9.2852    2.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8173    8.1228    1.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6846    8.6771   -0.0078 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227    8.0999   -1.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7688    8.9585   -2.1234 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0926    8.6437   -3.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3901    7.3870   -3.4078 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0923    9.5807   -4.1999 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448    6.7614   -1.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1723    6.4699   -2.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5770    5.5412   -0.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    5.2436    0.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5996    4.9396    1.5834 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1505    4.5992   -1.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5827    5.1956   -2.4271 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4304    3.2478   -0.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6097    2.3243   -0.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3304    0.9858   -0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3580    0.0411   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5668    0.2856   -0.3013 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0223    0.5885   -0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0639    1.4924   -0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7696    2.8116   -0.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  8 10  1  0  0  0  0
  6 11  4  0  0  0  0
 11 12  4  0  0  0  0
  9 12  4  0  0  0  0
 11 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
 13 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 20 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 18 25  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  17
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1156
  Mrv2015 05282120083D          

 34 35  0  0  1  0            999 V2000
   -3.3597   -3.3699    6.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2837   -2.8704    5.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9858   -3.2335    5.8553 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2834   -2.5424    5.1603 P   0  0  1  0  0  0  0  0  0  0  0  0
    1.4976   -3.1802    5.6924 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2319   -2.7147    3.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5018   -2.1667    2.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4196   -2.3408    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5843   -1.7371    0.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5400   -0.4083    0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6474    0.1824   -0.6266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5687    1.5967   -1.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0075    1.7934   -2.4786 N   0  0  2  0  0  0  0  0  0  0  0  0
    3.0705    3.2234   -2.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6466    1.2157   -2.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391   -0.5638   -0.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6601    0.2828   -1.7089 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    8.8709    0.9246   -2.6603 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8952   -1.9002   -0.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1563   -2.6807   -0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1427   -2.3906    0.6372 N   0  0  2  0  0  0  0  0  0  0  0  0
    8.4734   -3.0111    0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6455   -2.7162    2.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7669   -2.4763    0.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2774   -0.9817    5.5264 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4503   -0.7337    6.8630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7461   -0.6211    7.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9272   -0.3320    8.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8204   -0.1345    9.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4768   -0.2404    9.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6615   -0.5351    7.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9970    0.1452   10.9430 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1481    0.2692   11.4691 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1092    0.2948   11.6886 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 11 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 24  4  0  0  0  0
  9 24  4  0  0  0  0
  4 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 26 31  4  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
M  CHG  2  32   1  33  -1
M  END
$$$$
COVPDB1157
  Mrv2015 05262116143D          

 17 18  0  0  1  0            999 V2000
    3.0618   -0.5227    0.7700 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1891   -1.2932   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497   -2.8644    0.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4827   -3.3784    1.5152 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4491   -3.7768    2.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3693   -3.3486    3.7455 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4260   -4.6608    2.3027 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5975   -2.2949    1.8650 N   0  0  1  0  0  0  0  0  0  0  0  0
    3.1162   -1.0123    2.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4650   -2.0976    1.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5086   -2.8884    0.9886 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7317   -0.9745    0.4534 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9608   -0.4605   -0.4747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1147    0.7000    0.1903 S   0  0  1  0  0  0  0  0  0  0  0  0
    0.0090    0.7656    1.8930 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2338    2.1368   -0.4204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6144    0.2912   -0.1937 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  2  0  0  0  0
M  CHG  1  15  -1
M  END
$$$$
COVPDB1158
  Mrv2015 05262116113D          

 30 32  0  0  1  0            999 V2000
    3.5617    4.0240   -3.4935 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6396    3.1898   -2.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    2.4338   -1.8791 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7237    1.6019   -1.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6428    1.6528   -2.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0573    2.8465   -3.6584 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7351    0.8019   -0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0435   -0.2842   -0.4472 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8629   -1.1636    0.4663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4004   -1.8174    0.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5883   -2.8370    1.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5689   -2.7159    2.2346 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1541   -3.8438    1.3535 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3796    1.2076    0.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8766    0.9110    1.8980 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4892    2.0004    0.7609 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9740    2.7665    1.8627 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0264    3.8709    1.5286 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5898    4.1454   -0.1796 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8222    5.9592   -0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7941    6.7154    0.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875    8.0531    0.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0763    8.5876   -0.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9474    6.1603    1.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0016    4.8297    1.7569 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0991    3.9100    2.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8965    3.9822    2.4624 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9940    6.8835    2.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7151    6.5500    3.5448 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3491    7.8451    1.7835 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 21 24  2  0  0  0  0
 24 25  1  0  0  0  0
 18 25  1  0  0  0  0
 25 26  1  0  0  0  0
 17 26  1  0  0  0  0
 26 27  2  0  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
$$$$
COVPDB1159
  Mrv2015 05262116033D          

 23 24  0  0  0  0            999 V2000
   -3.8168    3.0748   -3.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5236    1.9659   -2.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6257    1.3191   -1.4366 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0020    0.3906   -0.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2080    0.0430   -0.4685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1503   -0.2287    0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8432   -0.0216    0.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9985    0.8870    0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3073    2.1006    0.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1823    0.4091   -0.4028 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0898    1.0498   -1.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8548    2.1115   -2.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0531    2.3301   -2.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2795    3.2530   -3.6682 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9493    1.4520   -2.2295 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3933    0.6971   -1.3235 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1077   -0.3475   -0.6161 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3260    0.2586    0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2028   -0.7520    0.9409 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0877   -1.6538    0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4064   -2.9264   -0.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9041   -2.8311   -0.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4531   -1.5079   -1.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
 13 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
$$$$
COVPDB115
  Mrv2015 05262115483D          

 23 24  0  0  0  0            999 V2000
   -0.7638   -0.5562   -4.0624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2223   -0.7296   -2.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4482   -1.8649   -2.6812 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0909   -1.7956   -1.1097 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4476   -0.2060   -0.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2447    0.2082   -1.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8366    1.3675   -1.9931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507    2.3909   -2.0803 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6123    0.5635    0.3722 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727    0.3119    1.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4539   -0.9552    2.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1742   -1.1009    3.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166   -2.4287    3.9865 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8601   -2.4667    5.2418 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8870   -3.4924    3.2966 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7675   -2.6573    4.1006 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706    0.0656    3.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4574    1.3549    3.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7746    1.4470    2.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9045    2.6086    4.1176 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7318    3.3398    3.2993 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    2.4101    5.2965 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8139    3.3874    4.4191 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 12 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 10 19  4  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   3
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1160
  Mrv2015 05262116113D          

 44 47  0  0  0  0            999 V2000
    2.3164    1.9429    0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0857    1.2526   -0.1437 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3240    1.0445    0.9756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4065   -0.1905    1.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -0.4479    2.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3330   -1.6985    3.3497 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8048   -1.9171    4.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2216    0.5655    3.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2011    0.2238    4.6342 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2626    1.8405    2.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9791    2.8790    3.2014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4299    4.0508    3.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2024    5.0366    3.6160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1299    4.2125    4.1314 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5770    5.4767    3.9997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2824    5.5452    2.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9325    6.9014    2.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9512    6.7407    1.1627 N   0  0  1  0  0  0  0  0  0  0  0  0
    2.4347    6.3051   -0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6184    5.8783   -1.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6163    6.9835   -1.1948 N   0  0  2  0  0  0  0  0  0  0  0  0
    5.7466    6.6259   -2.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0935    7.5002    0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8958    7.8916    1.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5074    3.1754    4.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0884    2.5225    5.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5995    1.4586    6.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0211    0.7762    7.4901 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5464   -0.0648    8.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7450    0.2796    9.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2765   -0.5634   10.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6305   -1.7695   10.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4451   -2.1256    9.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1215   -1.2730    8.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2673   -1.6033    8.0645 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3720   -2.2607    8.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4910   -2.5410    9.7537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4263   -2.5960    7.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3472   -2.6811    6.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8317    1.1139    6.0283 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4045    1.7520    4.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7405    2.7646    4.3669 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5651    2.0316    1.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8296    3.4035    0.4820 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 18 24  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  2  0  0  0  0
 27 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 25 42  4  0  0  0  0
 10 43  4  0  0  0  0
  3 43  4  0  0  0  0
 43 44  1  0  0  0  0
M  END
$$$$
COVPDB1161
  Mrv2015 05262116143D          

 40 44  0  0  0  0            999 V2000
  -17.2969    1.7763   -3.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8383    2.7204   -2.2462 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9243    3.1018   -1.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7706    2.3538   -0.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7792    2.7012    0.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1435    4.2588   -1.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1671    4.6242   -0.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9239    3.8041    0.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4454    5.7605   -0.7357 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4633    6.1503    0.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1248    5.3344    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8273    4.1280    1.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4183    3.2886    2.4395 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4093    2.4561    2.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6828    1.1715    1.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6701    0.3760    1.0729 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3607    0.7506    1.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0319    2.0404    1.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0614    2.8600    2.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7464    2.5162    1.5817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4184    3.2616    0.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3429   -0.2209    0.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3756   -0.4631   -0.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4839   -0.7071   -1.4027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3242   -0.4599   -1.7508 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9787   -0.3221   -1.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2673    0.3726   -2.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8820    0.6022   -2.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3030   -0.8745   -0.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8910   -0.6113   -0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2284    0.1067   -1.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0893   -1.0508    1.0001 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6130   -0.2220    2.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0917   -2.5899    1.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6697   -0.7325    0.8850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1961   -0.0786   -0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9242    0.3072   -1.1847 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9527    0.1463   -0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2274    0.3337   -0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5779    0.5201   -0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  3  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  5  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 26 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 28 31  4  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 31 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  3  0  0  0  0
 39 40  1  0  0  0  0
M  END
$$$$
COVPDB1162
  Mrv2015 05262116043D          

 11 11  0  0  1  0            999 V2000
    2.3412   -0.6746   -1.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9421   -0.8951   -0.5771 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9465   -2.1977    0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4978    0.3822    0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9507    0.3827    0.8215 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3358    1.5983    1.7280 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8792    3.0286    1.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0905    2.2660    2.8555 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0269    0.2196   -0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8273    0.4390   -1.5149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1799   -0.1193    0.1573 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
$$$$
COVPDB1163
  Mrv2015 05262116063D          

 38 42  0  0  0  0            999 V2000
    2.4806   13.5828   -8.1434 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8581   12.7837   -7.6551 S   0  0  1  0  0  0  0  0  0  0  0  0
    4.4772   12.0259   -8.9260 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9100   13.8725   -7.1251 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4435   11.6194   -6.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2513   11.4937   -5.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9145   10.5703   -4.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7721    9.7462   -4.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4429    8.7254   -3.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6255    7.3195   -3.8261 N   0  0  1  0  0  0  0  0  0  0  0  0
    4.0086    7.0250   -4.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1010    5.5850   -4.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6817    4.6422   -3.8602 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429    4.8564   -3.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1830    6.3063   -2.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5173    3.6295   -3.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7543    3.4465   -3.9530 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6241    2.4759   -3.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8275    2.2934   -4.1869 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2739    2.9554   -5.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2625    2.4980   -6.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3747    3.4527   -7.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4966    4.4352   -6.8860 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8681    4.1357   -5.7924 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2733    3.3969   -8.3193 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9282    4.6882   -8.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7588    3.6827   -8.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2335    1.6099   -2.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9410    1.7514   -1.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1479    2.7557   -2.4416 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4373    0.8801   -0.9847 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2200    0.1456   -0.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0951    0.8193   -0.7540 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4694   -0.0544    0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1143    0.0999    0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0701    0.2380    0.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664    9.8778   -5.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2975   10.8096   -6.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 20 24  4  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 27  1  0  0  0  0
 18 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 16 30  4  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  3  0  0  0  0
  8 37  4  0  0  0  0
 37 38  4  0  0  0  0
  5 38  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  24
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1164
  Mrv2015 05262115533D          

 26 27  0  0  0  0            999 V2000
    2.6531    0.6549   -3.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2162    1.1290   -2.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7102    2.5645   -2.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4642    2.9382   -0.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2251    3.4435   -0.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0923    3.7977    0.9891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595    3.6022    1.8139 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3419    3.1052    1.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4787    2.7896    0.0626 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3479    2.9486    2.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2478    2.8105    2.8715 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0835    4.3885    1.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7416    5.4408    0.8509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8718    6.0793    1.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3514    5.6365    2.6607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7339    4.5775    3.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5962    3.9679    2.7819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2949    4.1608    4.6841 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6381    3.1088    5.2777 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2377    5.2110    5.5699 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6076    3.7787    4.5401 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4903    7.1829    0.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7118    8.1174    0.4520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8536    7.2938    0.5144 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4606    8.5600    0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7546    6.1611    0.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  3  0  0  0  0
  6 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
$$$$
COVPDB1165
  Mrv2015 05262116113D          

 40 45  0  0  0  0            999 V2000
    0.1831   -0.5602   -0.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9935   -0.4826    0.3528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8398    0.3892    1.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1105    1.7565    1.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9227    2.6836    2.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4421    2.2517    3.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1837    0.8825    3.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4437   -0.0656    2.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3531    0.4618    5.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7002   -0.9490    5.1560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2028   -1.8590    4.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2954   -1.5209    2.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7820   -1.3584    5.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809   -0.5139    6.5473 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1849   -2.7001    6.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5966   -3.6444    5.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8069   -3.3577    3.7844 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6384   -2.1305    3.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2474   -3.5298    3.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7639   -4.8486    5.8400 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6679   -4.6729    7.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -3.3399    7.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8652   -5.5427    8.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3828   -6.9370    8.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5986   -5.0530    9.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1876   -3.6778    9.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9055   -3.0868   11.3483 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0181   -2.7931    8.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8872   -6.0919    5.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375   -6.6764    4.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2453   -6.0899    5.4484 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3241   -7.8797    4.3581 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4977   -8.6821    4.2046 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4438   -9.6121    2.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3341  -10.6922    3.8856 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4631   -9.9523    5.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1329  -12.0357    3.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0853  -12.7535    4.7388 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9623  -12.6039    2.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5609  -13.8644    2.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 19  1  0  0  0  0
 16 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 15 22  4  0  0  0  0
 21 23  4  0  0  0  0
 23 24  1  0  0  0  0
 23 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  1  0  0  0  0
 26 28  4  0  0  0  0
 22 28  4  0  0  0  0
 20 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 33 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
M  END
$$$$
COVPDB1166
  Mrv2015 05262116113D          

 36 40  0  0  0  0            999 V2000
    1.6176   -0.1616   -0.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2699   -0.4880   -0.1562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2087    0.3095    0.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7107    1.5893    0.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1707    2.4471    1.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1730    2.0161    2.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7246    0.7192    3.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2195   -0.1332    2.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7838    0.2677    4.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6194   -1.1466    4.9156 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196   -2.0531    3.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3195   -1.4532    2.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6195   -1.6514    6.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7649   -2.8906    6.3566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4923   -0.9485    7.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7399    0.4003    7.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4643    0.6883    9.0585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1362   -0.4634    9.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0808   -1.4800    8.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1522   -0.7180   11.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490   -2.0149   11.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6790   -3.0287   10.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2733   -4.7170   10.9448 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.3655   -2.7671    9.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4285    2.0082    9.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7027    2.4539   10.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6490    2.7811    9.4495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7657    2.6033   11.5518 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6986    3.4335   12.2492 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1882    4.8939   12.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7477    4.6552   13.5555 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4503    3.4424   13.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8142    5.2891   14.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6056    4.8472   15.4859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0606    6.3483   13.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1519    6.6946   14.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 15 19  4  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  1  0  0  0  0
 22 24  4  0  0  0  0
 19 24  4  0  0  0  0
 17 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 29 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
$$$$
COVPDB1167
  Mrv2015 05262115533D          

 19 19  0  0  1  0            999 V2000
    1.8446   -2.3868    2.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -2.6667    1.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0198   -2.0390   -0.1784 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0279   -2.3963   -1.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2363   -3.0751   -2.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2443   -0.6206   -0.1678 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4200    0.3724    0.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6848    0.0365    0.7843 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8157    1.7546    0.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2005    2.0493    0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6786    3.3642    0.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7848    4.4293    0.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3911    4.2066    0.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0918    2.8612    0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7802    2.6023    0.3113 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5194    5.3839    0.6608 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1095    6.5902    0.8789 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3164    5.5621   -0.4455 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3080    5.1958    1.7711 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
$$$$
COVPDB1168
  Mrv2015 05262116113D          

 29 31  0  0  0  0            999 V2000
   13.8002    3.7778    3.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6276    2.9693    3.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3859    2.3714    5.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1717    1.7078    5.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7280    1.9374    3.7897 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5896    2.6809    3.1435 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5222    0.9236    6.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1562    0.6477    7.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2600    0.4576    5.7654 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4843   -0.3622    6.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6117   -0.4600    7.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8804   -1.4127    8.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0668   -1.5114   10.5343 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.0039   -2.2845    8.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8086   -2.1516    6.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4948   -1.1545    5.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1681   -0.9628    4.5856 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -0.2006    4.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5574   -0.0847    3.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4779    1.0452    2.4849 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2626   -1.2215    2.3421 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8475   -1.2899    0.9764 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0467   -2.6939    0.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0221   -2.0903   -0.4744 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8590   -0.7442   -0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8894   -2.6277   -1.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6424   -1.8400   -2.0045 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9629   -3.9965   -1.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9706   -4.6137   -2.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 12 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 10 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
$$$$
COVPDB1169
  Mrv2015 05262115533D          

 36 38  0  0  0  0            999 V2000
    3.4538    1.1707   -3.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724    1.5828   -2.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3562    3.0474   -1.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8946    3.4520   -0.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5333    3.6986   -0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1563    4.0639    1.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1208    4.1628    2.0967 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4321    3.9409    1.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7983    3.5923    0.5604 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3371    4.0639    2.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1468    4.1745    3.5414 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2037    4.3002    1.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9622    5.2393    0.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3502    5.4147    0.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9656    4.5948    1.9131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2257    3.6968    2.7228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8364    3.5684    2.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9243    2.9238    3.7904 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1222    2.0496    4.4888 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4576    3.7946    4.7104 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9444    2.1765    3.2511 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0637    6.3726    0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8641    6.2503   -1.0853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8873    7.4202    0.5886 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3194    8.4528   -0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1539    9.3946   -0.7716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6961   10.6210   -1.4514 N   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5660   11.8715   -0.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2764   10.8063   -2.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2836    7.6092    1.9762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7546    7.4390    2.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4422    6.3001    1.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8255    6.1449    1.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5482    7.1289    2.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8848    8.2627    3.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5009    8.4194    2.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  3  0  0  0  0
  6 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 24 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 31 36  4  0  0  0  0
M  END
$$$$
COVPDB116
  Mrv2015 05262115523D          

 34 36  0  0  1  0            999 V2000
   -8.3802   -7.4796    2.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0183   -6.3755    1.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0658   -6.2603    0.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4923   -7.2609   -0.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8531   -8.3654    0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7881   -8.4778    1.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9302   -9.8310    2.2605 S   0  0  2  0  0  0  0  0  0  0  0  0
   -6.7380  -11.0369    1.2149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7857  -10.3859    3.5035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3763   -9.2752    2.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3200   -9.1750    2.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0109   -8.6791    2.4380 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0628   -8.4359    1.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310   -9.7145    0.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -9.3989   -0.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8016   -8.6133   -1.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5288   -9.5663    3.4623 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4999   -9.4238    4.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4519  -10.3308    5.2114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4376   -8.3726    4.3740 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9439   -9.0618    4.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083   -8.0449    4.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1650   -7.2367    5.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8180   -6.5422    5.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276   -7.4856    5.6718 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6915   -6.7085    5.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1077   -6.7241    7.1052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4607   -5.9653    4.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8610   -5.8122    5.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6650   -5.1492    4.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0890   -4.6205    3.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0611   -3.8699    1.8664 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7003   -4.7246    2.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9015   -5.3738    3.7971 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  1  0  0  0  0
 31 33  4  0  0  0  0
 33 34  4  0  0  0  0
 28 34  4  0  0  0  0
M  END
$$$$
COVPDB1170
  Mrv2015 05262116133D          

 35 39  0  0  1  0            999 V2000
   -0.2181    0.3344    0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0817    0.1477   -0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8359   -0.9995    0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1729   -1.9523    0.6022 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2218   -1.1502   -0.0832 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0589    0.0250   -0.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9079   -2.4604   -0.1839 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2099   -3.7615    0.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3528   -2.4379    0.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0944   -1.3074   -0.1008 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4877   -0.0505    0.2790 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3182   -1.3819   -0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1619   -0.2282   -0.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427    1.0285   -0.4080 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3325    1.1407    0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8135    2.2553    0.2755 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4593    2.2236   -0.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5363   -0.4127   -1.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0084   -1.5971   -1.4597 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2032   -2.6472   -1.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8047   -2.5294   -1.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9934   -3.5482   -2.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5412   -4.6952   -2.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4485   -5.8165   -3.3392 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9488   -4.8643   -2.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7739   -3.8221   -2.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0795   -3.9282   -2.3044 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5299   -6.0277   -3.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2845   -5.9258   -4.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4951   -4.7335   -5.1454 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8284   -7.0756   -5.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6114   -8.3416   -4.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8734   -8.4580   -3.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3512   -7.3088   -2.7517 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7037   -7.4605   -1.6249 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  1  0  0  0  0
 13 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 12 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 23 25  4  0  0  0  0
 25 26  4  0  0  0  0
 20 26  4  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  1  0  0  0  0
 29 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 28 34  4  0  0  0  0
 34 35  1  0  0  0  0
M  END
$$$$
COVPDB1171
  Mrv2015 05262115533D          

 30 31  0  0  1  0            999 V2000
    1.8840    5.7974   -0.8324 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9228    5.3985   -1.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1274    5.8378   -2.6616 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8392    4.5348   -0.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    4.2022   -1.3741 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6476    3.9919    0.6212 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5463    2.8862    0.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8485    1.6679   -0.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5797    5.1220    1.5120 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7100    5.4802    2.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9803    6.5551    3.0837 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5655    4.7930    2.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3934    4.8598    2.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7644    4.1922    2.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7975    3.4968    3.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3526    3.4461    4.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5460    4.0885    4.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9871    4.0242    5.1135 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3303    2.7358    5.9840 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7054    3.5856    6.9978 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1842    1.6614    5.9480 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8760    2.2261    6.3953 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9545    2.8283    4.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0455    3.6590    4.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1676    2.7474    4.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3351    2.1511    6.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3889    1.2402    6.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2675    0.9371    5.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0731    1.5601    4.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0433    2.4299    3.8697 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 15 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
M  END
$$$$
COVPDB1172
  Mrv2015 05262115573D          

  9  8  0  0  0  0            999 V2000
    1.3356    1.0272    1.7564 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2672    0.9997    0.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7896    1.9405   -0.2321 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6212   -0.1280   -0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -0.1679   -0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2413   -0.7843    0.9934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7884    0.4609   -0.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1117    0.3550   -0.5919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4478    1.1310   -1.8555 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
$$$$
COVPDB1173
  Mrv2015 05262115513D          

 22 23  0  0  0  0            999 V2000
   -5.2097    5.1413   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3799    5.2889    1.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5797    6.2635    2.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5271    7.2809    1.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5622    8.2120    0.9043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4691    9.2870    0.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3460    9.4547    2.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3299    8.5346    3.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4325    7.4479    3.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4759    6.5836    4.1008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3614    4.3612    1.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2235    3.8036    2.4049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4675    4.1347    0.2798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4567    3.2176    0.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4650    1.9381    0.7512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4070    1.0380    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6984    1.3882   -0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6956    2.6848   -0.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3660    3.5809   -0.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7091    0.5310   -0.5392 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7749    0.8775   -1.1424 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6806   -0.5932   -0.2179 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  CHG  2  20   1  21  -1
M  END
$$$$
COVPDB1174
  Mrv2015 05262115403D          

 43 43  0  0  1  0            999 V2000
    7.5158   -6.7908   -0.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9036   -6.3892    0.5652 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4463   -7.3474    1.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3355   -6.3279    0.5248 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9438   -5.4547   -0.5430 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7008   -5.2804   -1.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7409   -6.0181   -0.7488 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4971   -4.1392   -2.0043 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4478   -4.2478   -3.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2170   -5.5103   -4.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0081   -5.4425   -5.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8586   -6.6495   -6.1903 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3040   -6.8357   -7.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9394   -5.9070   -8.1200 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1093   -7.9677   -7.9843 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7704   -2.9697   -1.2207 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205   -1.6370   -1.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1026   -0.9184   -0.5557 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0573   -0.9081   -2.4576 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2568   -1.2652   -3.5858 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0821   -0.2408   -3.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1114   -0.4330   -4.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8805   -1.4370   -4.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8096   -1.6199   -5.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7526   -0.8058   -6.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7684    0.1945   -6.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1574    0.3810   -5.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448   -1.1933   -4.8417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9434   -2.1748   -5.7686 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7832   -0.2148   -5.0955 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7309   -5.8082    1.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3338   -6.6290    2.6440 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5724   -4.4555    1.9257 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7849   -3.7007    2.8557 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7158   -4.4780    3.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6036   -3.5888    4.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5280   -4.4183    5.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -3.6060    5.3216 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7785   -4.0291    5.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9930   -5.2652    6.2272 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392   -3.1933    5.9115 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7205   -2.9294    3.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7243   -1.6775    3.6904 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 20 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
  4 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 34 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  END
$$$$
COVPDB1175
  Mrv2015 05262115543D          

 47 47  0  0  1  0            999 V2000
   -4.3423   -9.0449   -5.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5099   -7.6661   -4.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9013   -7.0243   -4.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0808   -5.6129   -4.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5285   -5.0620   -4.4872 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.8392   -4.9154   -5.8849 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0666   -4.6019   -6.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0536   -4.6250   -5.6240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2393   -4.1910   -7.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1481   -4.0259   -8.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3497   -3.5812   -9.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6482   -3.2918  -10.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7429   -3.4455   -9.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5385   -3.8895   -8.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7864   -3.7370   -3.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6311   -3.6865   -2.9200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2471   -2.6080   -4.3983 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8908   -1.3309   -4.5941 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.7673   -0.6912   -3.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6179    0.5099   -3.9917 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7296    0.9625   -3.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5973    2.1068   -3.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6125    2.5282   -2.6186 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8874   -0.3727   -5.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9192   -0.1238   -6.3611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9506    0.2315   -4.3249 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8945    1.0990   -4.7925 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1162    1.9411   -3.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9186    2.5031   -2.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9555    3.1587   -1.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6421    3.8170   -0.4261 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0830    4.1948    0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6767    5.1342    1.4238 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9961    3.6894    1.1715 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9611    0.3088   -5.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9837    0.5568   -6.8845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0807   -0.6926   -5.3217 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5148   -1.1307   -4.0696 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4317   -1.3803   -2.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6686   -1.2539   -1.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6094   -0.9609   -0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8555   -0.7406    0.9233 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3263   -0.2647    2.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5541    0.1830    2.2457 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5328   -0.2349    3.0728 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7689   -2.3762   -4.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5239   -2.4389   -4.2487 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  5 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 27 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  2  0  0  0  0
 38 46  1  0  0  0  0
 46 47  2  0  0  0  0
M  END
$$$$
COVPDB1176
  Mrv2015 05262115503D          

 23 22  0  0  0  0            999 V2000
   -3.3055   -3.6177    0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6287   -2.3325    0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1174   -2.2754    0.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4216   -1.0003    0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0425   -0.8398    0.6431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7848    0.2108   -0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0814    1.2691    0.4991 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1331    0.1140   -1.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1509   -1.0294   -2.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4204   -1.0981   -3.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1899   -2.1620   -4.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6272   -3.4442   -3.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0361   -4.1855   -4.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503   -5.1869   -5.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0658   -5.8638   -6.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6519   -4.9554   -7.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4948   -4.1111   -8.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0670   -3.1501   -9.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7152   -1.7866   -8.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2254   -0.7348   -9.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1720    0.5232   -9.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4791    0.8719   -9.0991 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6921    1.2724   -8.6741 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
$$$$
COVPDB1177
  Mrv2015 05262115593D          

 26 30  0  0  1  0            999 V2000
    6.2560   -1.1173    3.2642 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1946    0.2828    2.9962 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6033    0.8573    3.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6864    2.3747    3.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3377    2.7502    1.5205 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5374    2.3349    0.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2692    4.3185    1.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9036    2.1272    1.1818 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6381    0.5961    1.5567 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3759    2.4232   -0.2744 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4743    3.5293   -0.2953 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7525    1.1378   -0.9121 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3992    1.4210   -2.2674 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8320    0.1594   -0.9127 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2561   -0.2863    0.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5689    0.5177   -0.0710 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0555    0.3483    1.4460 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5039   -0.9687    2.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1023   -1.4503    1.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7717   -1.0362    0.1502 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0697   -0.8460   -0.6657 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7903   -0.8252   -2.0700 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2267    0.3086    0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0773    0.6044    0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2514    1.2074   -0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0803    2.4395   -0.2354 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
$$$$
COVPDB1178
  Mrv2015 05262116143D          

 18 19  0  0  1  0            999 V2000
   -2.5175    4.6999   -2.4090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6335    4.4737   -1.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3361    4.0223   -1.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5837    3.7836   -0.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2319    4.0013    0.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0765    4.4632    0.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0031    4.6936   -0.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2094    3.7233    1.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3797    4.6319    1.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1937    4.5614    0.8040 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724    5.5141    2.7750 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6199    6.4914    2.8683 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0725    7.8768    3.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491    8.0863    4.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3877    9.1333    5.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4794    7.1169    4.9495 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5195    6.1812    3.9811 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2566    5.1703    4.0308 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
$$$$
COVPDB1179
  Mrv2015 05262116143D          

 16 16  0  0  1  0            999 V2000
    4.9598    1.0045    4.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0807    1.4703    3.3051 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5701    1.6452    2.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3135    2.8093    3.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4246    0.5819    2.3771 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4250   -0.7751    2.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9764   -1.5073    3.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8156   -1.4014    1.1936 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2200   -0.8472   -0.0031 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0550   -1.3619   -1.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7209   -1.2756   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9930   -0.0300   -0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3404    0.0799   -0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7895    1.0229   -0.1002 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0745    0.6233   -0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0246    1.4341   -0.1951 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
$$$$
COVPDB117
  Mrv2015 05262115583D          

 17 17  0  0  0  0            999 V2000
    2.7447    0.7429    4.8893 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6032    1.6398    3.6544 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.6564    3.1639    3.8063 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2330    1.0033    2.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0201    1.3399    1.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6443    0.7887    0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6591    1.1170   -0.3431 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3400    1.7525   -1.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4929   -0.1942   -0.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5864    2.1308    0.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5612   -0.1207   -0.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8015   -0.4922    0.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1102    0.1026    1.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7620   -1.4723   -0.2957 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2885   -2.0432   -1.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9619   -2.7112    0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1266   -0.7520   -0.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  6 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  4 13  4  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
$$$$
COVPDB1180
  Mrv2015 05262115563D          

 25 27  0  0  0  0            999 V2000
    2.9927   -4.6832   -5.7668 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9458   -3.6774   -4.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5551   -4.0099   -3.7256 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3048   -2.3273   -5.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2785   -1.3321   -4.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5996    0.0038   -4.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9608    0.3734   -5.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0067   -0.5823   -6.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850   -1.9264   -6.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3330   -0.2047   -8.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8276    0.9927   -8.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1057    1.3427  -10.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    0.4566  -10.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3866   -0.7226  -10.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -1.0386   -8.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6895    2.4868  -10.6953 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359    3.6895  -10.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2114    3.9639   -9.0116 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8539    4.5845  -11.1834 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966    5.9291  -10.9727 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9822    6.1115  -11.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5001    7.5852  -11.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5294    8.5654  -12.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9411    8.3841  -11.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4229    6.9111  -11.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
$$$$
COVPDB1181
  Mrv2015 05262116113D          

 39 43  0  0  0  0            999 V2000
   12.8611   -3.7267   -2.3015 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5459   -4.9280   -1.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4648   -5.9768   -2.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1626   -7.2820   -1.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9468   -7.5424   -1.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0262   -6.5015   -0.7964 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8807   -6.8071   -0.1261 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3107   -5.1840   -1.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3634   -4.1524   -1.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6075   -3.2386    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1464   -4.0669   -1.7175 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8235   -5.0339   -3.0766 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1546   -3.1653   -1.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3578   -2.3304   -0.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6231   -2.3146    0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3354   -1.4869    0.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0380   -1.4736   -0.1197 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266   -0.2605   -0.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2549    0.1186    0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3512   -1.0086    0.5451 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0097   -2.2369    0.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1760   -2.6215    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9686   -0.9503    0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3005   -2.0121    0.4286 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2386    0.2130    0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0072    0.2524   -0.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6157   -0.6588    1.3626 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8271   -0.6082    1.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9458    0.2193    2.8887 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8418   -1.4274    1.5252 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0660   -1.3121    2.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3777   -2.2352    3.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6014   -2.1591    3.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5290   -1.1612    3.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2358   -0.2478    2.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0070   -0.3025    1.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7357    0.6896    0.6893 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6684    2.1432    1.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7554    0.5501   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
  9 11  4  0  0  0  0
 11 12  1  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 14 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 16 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  2  0  0  0  0
 28 30  4  0  0  0  0
 15 30  4  0  0  0  0
 30 31  1  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 31 36  4  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
M  END
$$$$
COVPDB1182
  Mrv2015 05262116113D          

 35 39  0  0  0  0            999 V2000
    9.3477   -7.0421    1.5983 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6803   -6.8156    1.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5569   -7.9054    1.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9435   -7.7238    1.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4611   -6.4488    1.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5931   -5.3505    1.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1097   -4.1793    0.7389 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1927   -5.5278    1.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2921   -4.4388    1.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4110   -4.3083   -0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5147   -5.3243   -1.4474 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4140   -3.3135   -0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2443   -3.4782    2.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2507   -2.4695    2.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2635   -2.4349    1.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2008   -1.4780    3.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1401   -1.3376    4.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1945   -2.2756    5.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1318   -2.1218    6.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0129   -1.0255    6.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9632   -0.0864    5.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0341   -0.2425    4.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1862   -0.5822    3.0559 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2423   -0.6099    2.1603 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1899   -1.5023    1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0753   -1.4236    0.3271 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5767   -0.1613   -0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1015    0.0777    0.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2296   -1.0886    0.2076 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8261   -2.3945    0.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2832   -2.5734   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8398   -0.9820    0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1728   -2.0406   -0.0752 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1087    0.2151    0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2216    0.3082   -0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
  9 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 12 15  4  0  0  0  0
 14 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 16 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 15 25  4  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 26 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
$$$$
COVPDB1183
  Mrv2015 05262115533D          

 30 34  0  0  1  0            999 V2000
    1.7411    3.4579   -0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4190    3.8626    0.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5178    2.9372    0.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020    1.6165    0.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1821    1.2568    0.6291 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1152    2.1182    0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4232    1.6647   -0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3244    2.3007   -0.8902 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4487    1.5466   -0.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2874    0.4550   -0.1365 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0419    0.5095    0.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6049    1.8589   -1.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6556    1.2381   -1.3634 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5923    2.8988   -2.7264 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5538    2.5961   -3.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9676    3.1450   -3.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4385    1.9409   -4.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3448    1.1837   -4.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9719    1.5052   -4.7793 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6879    0.0991   -5.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6986   -0.6448   -6.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3473   -0.2755   -6.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9867    0.7839   -5.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0455   -1.6747   -7.3201 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1507   -2.8880   -6.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4054   -3.3366   -6.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5388   -4.6142   -5.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4176   -5.4564   -5.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1619   -5.0179   -5.9933 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0300   -3.7397   -6.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 15 19  1  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 19 23  4  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
M  END
$$$$
COVPDB1184
  Mrv2015 05262116143D          

 25 27  0  0  1  0            999 V2000
   -8.5204   -4.2517   -7.9086 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1369   -4.7353   -7.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5433   -4.5548   -6.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8663   -3.3644   -6.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3625   -3.1768   -4.9557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5188   -4.1716   -3.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1747   -5.3732   -4.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6797   -5.5617   -5.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0154   -4.0094   -2.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1838   -4.9301   -1.7928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3048   -2.9098   -2.2369 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5384   -2.8436   -1.0267 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2524   -3.7190   -1.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9502   -3.1438   -0.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2137   -3.9085   -0.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4776   -3.4310   -0.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5939   -2.1865    0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4547   -1.3893    0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6421   -0.1416    1.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8685    0.2978    1.3816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2994    0.6263    1.3147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8292   -1.8717   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9214   -1.0837    0.2259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1282   -1.2947   -0.6954 B   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0832   -0.1364   -0.9963 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 18 22  4  0  0  0  0
 14 22  4  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 12 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$
COVPDB1185
  Mrv2015 05262116033D          

 11 10  0  0  0  0            999 V2000
   -0.9293   -1.0566   -3.1247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1636   -0.2713   -2.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7543    0.4002   -2.8559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3991   -0.2172   -0.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7386   -0.9183   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5243   -0.8814    1.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5916   -1.6173    2.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5343   -0.9622    2.6745 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966   -3.0209    2.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5606   -3.6433    3.0326 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -3.7370    1.7933 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
$$$$
COVPDB1186
  Mrv2015 05262116003D          

 21 22  0  0  1  0            999 V2000
    0.7221   -1.1941    0.4425 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6185    0.2439    0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2592    0.9337    1.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1224    2.3518    1.0761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1096    3.0417    1.6005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0827    3.5697    2.8498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1632    3.2460    3.6363 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1628    4.5143    3.2473 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2567    5.8021    2.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6185    7.1307    2.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5857    7.1698    4.4828 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9288    5.8588    4.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0710    5.0917    4.5660 N   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1580    5.6599    5.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2625    5.1348    5.4001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8809    6.9838    5.0803 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7159    7.9480    5.3885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5490    8.4096    7.0322 S   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6818    7.2292    7.9104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0089    8.5558    7.6707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7754    9.8083    7.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
$$$$
COVPDB1187
  Mrv2015 05262115483D          

  8  7  0  0  0  0            999 V2000
    3.0213    3.0132    0.7808 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5995    2.9449    0.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0916    1.4880    0.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3012    1.4628    0.0672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9809    0.0158    0.0464 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2262   -0.9214   -0.9845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9008   -0.6402    1.4866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3883    0.1419   -0.3520 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
M  END
$$$$
COVPDB1188
  Mrv2015 05262115573D          

 22 25  0  0  1  0            999 V2000
    1.4101    0.8264    0.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0281    0.4117    0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4461   -0.8201    0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8559   -0.9011    0.2750 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1515    0.4590   -0.0613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0217    1.1974   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9748    2.4164   -0.2995 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5622   -1.3884    1.4341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8807   -1.4944    1.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4605   -2.6441    0.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8032   -2.8063    0.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6929   -1.9390    0.7608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0781   -4.0514    0.1740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7605   -3.8882    0.5669 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8859   -4.8196    0.0474 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1164   -4.5965    1.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8778   -5.8412    1.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8612   -5.9706    0.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6853   -7.1105    0.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5100   -8.1238    1.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5231   -7.9919    2.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6984   -6.8482    2.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
M  END
$$$$
COVPDB1189
  Mrv2015 05262116143D          

 46 50  0  0  1  0            999 V2000
    3.5753  -19.2705    5.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7440  -18.2591    5.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3584  -16.9265    4.5823 N   0  0  1  0  0  0  0  0  0  0  0  0
    3.4972  -16.0948    5.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0557  -14.7829    4.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2489  -14.0069    4.3262 N   0  0  2  0  0  0  0  0  0  0  0  0
    3.9427  -12.6412    3.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3179  -11.7017    4.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8637  -11.3999    4.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3111  -10.5240    5.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1865   -9.9620    6.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503   -9.1000    7.6869 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1105   -7.8594    8.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5442   -7.3335    9.0129 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1318   -7.1280    7.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0965   -6.4080    8.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1003   -5.6757    7.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -5.6344    6.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2797   -4.8812    5.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -6.3162    5.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1540   -6.2837    3.8958 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3382   -5.2828    3.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9470   -5.4764    3.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1606   -4.3812    2.9125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7512   -3.1918    2.6454 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0956   -3.0321    2.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5914   -1.8176    2.4091 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6155   -1.5862    1.4316 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9451   -0.0829    1.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7973    0.4789    0.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.6544   -0.2231 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0745   -1.8209    0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0958   -0.6593   -0.9557 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7415   -1.7197   -1.5291 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2711    0.4556   -1.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0530    0.4033   -1.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8757   -4.0758    3.1107 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1910   -7.0727    5.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5673  -10.2788    6.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2098  -11.1315    5.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6926  -11.3588    5.9634 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2901  -10.8076    7.0738 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0120  -12.6897    6.0372 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3306  -10.7963    4.8866 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1043  -14.8189    3.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5376  -16.1410    4.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  1  0  0  0  0
 18 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 28 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 26 37  4  0  0  0  0
 22 37  4  0  0  0  0
 20 38  4  0  0  0  0
 15 38  4  0  0  0  0
 11 39  4  0  0  0  0
 39 40  4  0  0  0  0
  8 40  4  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 44  1  0  0  0  0
  6 45  1  0  0  0  0
 45 46  1  0  0  0  0
  3 46  1  0  0  0  0
M  END
$$$$
COVPDB118
  Mrv2015 05262115443D          

 13 13  0  0  0  0            999 V2000
   -1.7835   -3.1562   -1.0736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7512   -4.7186   -0.8151 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5235   -5.3223   -1.6147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5916   -4.9925    0.6172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0784   -5.3899   -1.4051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2254   -4.9596   -0.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8936   -3.8410   -1.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0393   -3.3225   -0.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5465   -3.9398    0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9229   -5.0900    0.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7646   -5.6264    0.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1608   -6.8077    0.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5571   -7.3820    1.8906 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
$$$$
COVPDB1190
  Mrv2015 05262116143D          

 46 50  0  0  1  0            999 V2000
    1.1442   10.8474    4.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9776    9.4317    3.9234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2452    8.8824    3.3444 N   0  0  1  0  0  0  0  0  0  0  0  0
    3.2792    8.5320    4.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5994    8.0941    3.6942 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3730    6.9674    2.7388 N   0  0  2  0  0  0  0  0  0  0  0  0
    5.6305    6.4274    2.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6319    5.8636    3.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8293    6.6455    3.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7274    6.1076    4.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4445    4.8313    5.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2947    4.3600    6.0284 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8516    3.1185    6.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4126    2.8886    7.2298 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8993    2.1163    5.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1737    2.4530    3.7849 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2392    1.4589    2.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0568    0.0961    3.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1796   -0.9130    2.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7711   -0.2532    4.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5474   -1.5603    4.8309 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2038   -1.8170    4.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4532   -1.7947    5.9949 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0588   -1.9216    5.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4858   -2.0965    4.6772 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2262   -2.1754    3.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6558   -2.3348    2.3188 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4706   -1.6383    1.9244 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7818   -0.2164    1.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5950    0.1035    0.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9752   -1.1594    0.2033 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7440   -2.2553    0.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7604   -1.3047   -0.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2735   -2.4534   -0.5819 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0324   -0.2285   -0.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3046   -0.1493   -0.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5729   -2.0461    3.6214 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122    0.7535    5.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2944    4.0955    4.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3358    4.5512    3.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1365    3.7049    3.4370 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0363    2.5318    4.1500 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9653    4.3721    3.6948 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1567    3.3293    2.1177 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3391    7.3145    1.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0153    7.7575    2.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  1  0  0  0  0
 18 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 28 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 26 37  4  0  0  0  0
 22 37  4  0  0  0  0
 20 38  4  0  0  0  0
 15 38  4  0  0  0  0
 11 39  4  0  0  0  0
 39 40  4  0  0  0  0
  8 40  4  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 44  1  0  0  0  0
  6 45  1  0  0  0  0
 45 46  1  0  0  0  0
  3 46  1  0  0  0  0
M  END
$$$$
COVPDB1191
  Mrv2015 05262116143D          

 15 15  0  0  0  0            999 V2000
    3.4170   -5.7983    1.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8840   -5.9455    1.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2323   -4.7618    0.7105 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1182   -4.6298    0.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8758   -5.5964    0.8143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6956   -3.4563    0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0973   -2.2486    0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6439   -1.0567   -0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7679   -1.0892   -0.9245 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0062    0.2150   -0.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7645    1.4031   -0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1521    2.6645   -0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483    2.7669    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0341    1.6071   -0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4204    0.3479   -0.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
M  END
$$$$
COVPDB1192
  Mrv2015 05262116113D          

 21 21  0  0  0  0            999 V2000
    1.7624   -0.2623   -0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3353   -0.1636    0.0367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1273    0.6066    1.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6711    0.6565    1.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3557    1.1977    2.3113 N   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0392    2.6191    2.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1132    0.9443    2.2209 S   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7532    1.3731    3.6302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4013   -0.6255    2.0508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8403    1.8966    0.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9923    1.4146   -0.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4393   -0.1049   -0.9369 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.6411    2.2097   -1.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1280    3.4838   -1.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9371    4.0055    0.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3027    3.1980    1.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4035    5.2644    0.4889 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8153    6.2271    1.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6956    6.0607    1.7968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5018    7.5191    1.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9341    7.3154    2.4272 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 10 16  4  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$
COVPDB1193
  Mrv2015 05262115523D          

 21 23  0  0  0  0            999 V2000
    1.2699    0.4377    0.3840 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1334    0.2993    0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1504    0.1515    0.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7887    0.1522   -0.9827 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1415    0.0253   -1.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8440    0.0062   -2.1847 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5726   -0.8863   -3.2710 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4131   -0.4740   -4.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2278   -1.4638   -5.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5065   -2.9347   -5.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7090   -3.3466   -4.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9072   -2.3500   -2.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375   -0.1083    0.1285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -0.1497    1.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8660   -0.0078    1.3571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9411   -0.3544    2.5033 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4202   -0.0097    3.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3414   -1.2887    4.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6439   -1.9964    4.7016 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1701   -2.2939    3.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2418   -1.0010    2.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
  5 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
  3 15  4  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
$$$$
COVPDB1194
  Mrv2015 05262115523D          

 29 31  0  0  0  0            999 V2000
    3.4180    7.6551    0.2946 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1180    7.3266   -0.0131 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3260    8.4026    0.3020 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879    6.2930    0.8319 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9293    6.9798   -1.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7556    7.5462   -2.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5695    7.2362   -3.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527    6.3475   -4.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7157    5.7557   -3.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8958    6.1022   -1.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2427    4.8500   -3.6002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1854    5.2852   -4.3975 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2071    4.5205   -4.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0972    5.0693   -5.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8870    5.5525   -6.2943 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2434    3.1738   -4.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1836    2.4410   -4.8148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2640    2.6955   -3.5717 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3295    1.3305   -3.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0590    1.3060   -1.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0801   -0.0873   -0.9985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8439   -0.1432    0.2977 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3106    0.7712    1.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1287    0.7144    2.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2536   -0.7372    3.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8331   -1.6547    2.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9949   -1.5552    0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2474    3.5421   -3.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6855    3.1304   -2.4458 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
 13 16  4  0  0  0  0
 16 17  2  0  0  0  0
 16 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 18 28  4  0  0  0  0
 11 28  4  0  0  0  0
 28 29  2  0  0  0  0
M  END
$$$$
COVPDB1195
  Mrv2015 05262116113D          

 19 19  0  0  0  0            999 V2000
   -4.1549   -4.6674    3.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8343   -3.6494    2.8772 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2854   -3.3540    3.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7634   -4.1963    1.4987 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1134   -3.0632    0.1892 S   0  0  2  0  0  0  0  0  0  0  0  0
   -6.6986   -2.8182    0.1290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7004   -3.7773   -1.1873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2409   -1.5307    0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9171   -0.4770    1.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3061    0.7809    1.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0184    1.0013    0.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3200   -0.0461    0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9090   -1.3193   -0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9547   -2.5421   -0.7141 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.9141    1.8052    1.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6165    1.7145    3.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7083    0.6374    3.7315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2605    2.9246    3.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6159    3.3877    2.6152 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
$$$$
COVPDB1196
  Mrv2015 05262115423D          

 18 17  0  0  1  0            999 V2000
   -6.9499   -7.5498   -1.9928 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6716   -6.8365   -2.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6096   -5.6252   -0.6579 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9294   -4.9328   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6639   -3.8692    0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2126   -3.2887    0.3273 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0765   -4.3557    0.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1473   -5.2375    1.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0397   -6.3224    1.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1232   -7.1572    3.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8914   -8.2267    3.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -9.5278    3.2191 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1108   -7.9509    3.2309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1648   -1.9984    1.6245 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -1.3069    1.6725 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0254   -0.3814    0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3638    0.2755    0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4574    0.9983   -1.2150 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$
COVPDB1197
  Mrv2015 05262116073D          

 21 22  0  0  1  0            999 V2000
   -5.5938    2.9830   -2.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5206    1.9059   -2.8962 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3186    0.7375   -3.1075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    2.2405   -4.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8620    3.4238   -4.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9464    3.2909   -3.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7105    3.4083   -3.2201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4799    2.9550   -1.7047 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2051    4.0695   -1.1278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4284    5.2275   -0.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3818    1.6592   -1.8032 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0108    1.4928   -0.5285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5967    0.2778   -2.0010 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4298   -1.0412   -2.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5515    0.3193   -2.9915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050    0.1044   -1.6468 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3918   -1.2706   -1.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0596   -1.1372   -1.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8107   -0.7751   -0.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2279   -0.4950    0.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2628   -0.6414   -0.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
$$$$
COVPDB1198
  Mrv2015 05262116143D          

 22 24  0  0  0  0            999 V2000
    1.5265    0.2650   -0.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2867   -0.0799    0.0258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    0.6211    1.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1532    1.6887    1.4283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5909    0.1456    1.5503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1917    0.7474    2.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2725   -0.9380    0.9535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4842   -1.4165    1.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0693   -0.8515    2.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4175    0.2785    3.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2704   -1.3164    3.2104 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6708   -2.6642    3.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8300   -3.5275    2.7982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9393   -3.1574    3.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3366   -4.4371    3.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0884   -0.3636    3.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4836    1.0582    4.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0529    0.9419    4.2526 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3597    1.5066    5.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8968    0.9478    6.7371 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3479    1.5508    8.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7908    1.8421    7.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  6 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
$$$$
COVPDB1199
  Mrv2015 05262115483D          

 29 30  0  0  1  0            999 V2000
    3.0173   -5.8807   -5.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5956   -4.8842   -4.2529 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5712   -4.9877   -3.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1382   -5.2031   -3.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5919   -3.4958   -4.6576 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138   -2.7912   -5.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2971   -3.3523   -6.1763 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3490   -1.4476   -5.6438 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232   -0.4466   -4.9107 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7098    0.4999   -4.2902 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5377   -0.1796   -3.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1369    1.8670   -3.8282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5943   -0.8843   -3.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2834   -0.5905   -3.9987 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3209   -1.1068   -2.9777 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5984   -1.7359   -2.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8119   -1.6067   -2.8050 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2713   -2.6175   -0.7363 S   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1927   -3.2724   -0.7918 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430   -3.7989   -0.5596 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4093   -1.5086    0.7194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4769   -0.3202    0.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0327    0.8735   -0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2639    0.9585   -0.4469 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7829    2.0113   -0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1204    1.9751    0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6491    0.7994    0.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8427   -0.3475    0.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5931   -1.7227    1.6283 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 23 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 22 28  4  0  0  0  0
 28 29  1  0  0  0  0
M  END
$$$$
COVPDB119
  Mrv2015 05262116093D          

 31 34  0  0  0  0            999 V2000
    7.1780   -1.5124   -8.2978 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6937   -0.8538   -7.3212 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.5378   -0.9897   -7.2545 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4504   -0.1112   -6.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8591   -0.1361   -6.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7564    0.5876   -5.8364 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2158    1.3264   -4.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8238    1.3851   -4.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    0.6878   -5.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2104    0.8329   -5.1221 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9751    1.7107   -3.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0654    2.2232   -3.0253 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3576    2.1187   -3.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1379    2.7341   -2.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7161    1.8953   -3.0916 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3692    3.1043   -2.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8803    2.7535   -0.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7336    1.7901   -1.0187 N   0  0  2  0  0  0  0  0  0  0  0  0
    1.0578    1.5124    0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4236    2.7678    0.9785 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2817    2.4373    2.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8305    3.7256    3.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7892    4.5068    2.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1521    4.7841    0.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5798    3.4967    0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1146    0.5511   -1.7714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6714    0.8929   -3.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2322    0.5263   -6.0713 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.7586   -0.5131   -5.3468 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.8903    1.6736   -5.6933 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5593    0.3265   -7.3931 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 18 26  1  0  0  0  0
 26 27  1  0  0  0  0
 15 27  1  0  0  0  0
  6 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
$$$$
COVPDB11
  Mrv2015 05262115433D          

 37 39  0  0  1  0            999 V2000
   -1.1676   -3.2893   -0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5071   -1.7714    0.0224 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0631   -1.4133    1.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2554   -0.9198   -0.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3686    0.6370   -0.5257 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6670    1.3579    0.6797 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1747    1.5863    1.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2992    1.0278    1.7183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1740    2.4112    2.8024 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3768    3.2278    2.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0036    4.7147    3.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2464    4.8632    4.2884 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9669    4.0145    4.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6535    2.5321    3.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3267    1.0662   -1.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8825    1.6006   -2.6235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6687    0.9033   -1.3989 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7047    1.2098   -2.3456 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6561   -0.0085   -2.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0081   -1.2147   -3.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9051   -2.4164   -3.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2613   -3.2693   -2.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1299   -4.3577   -2.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6498   -4.6092   -4.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3040   -3.7719   -5.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4344   -2.6842   -4.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4387    2.3740   -1.8596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6822    3.4611   -2.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5697    4.8527   -2.0277 S   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5089    5.4041   -3.2104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5288    6.0218   -1.6621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5701    4.4662   -0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0716    4.6858    0.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8571    4.3666    1.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1460    3.8290    1.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6470    3.6050    0.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8607    3.9195   -0.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 18 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 32 37  4  0  0  0  0
M  END
$$$$
COVPDB1200
  Mrv2015 05262115483D          

 29 30  0  0  1  0            999 V2000
    4.1001    4.2764   -4.8768 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9008    3.0946   -5.8759 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2001    2.8341   -6.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7387    3.4269   -6.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5424    1.8447   -5.2429 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9193    1.2625   -4.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6332    1.8527   -3.2182 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5361   -0.0011   -3.7416 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7925   -0.8894   -4.5880 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7065   -2.0492   -5.1170 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8818   -1.5076   -5.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9120   -3.1019   -5.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6415   -1.3817   -3.8034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3531   -1.2816   -4.1738 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3821   -1.8338   -3.2657 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4360   -2.2933   -2.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7196   -2.0308   -2.6230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0890   -3.0890   -0.8270 S   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6503   -3.4478   -0.9124 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418   -4.4467   -0.6209 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276   -1.9739    0.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5476   -0.7015    0.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0441    0.4443   -0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2648    0.4252   -0.5873 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6711    1.6515   -0.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9882    1.7402    0.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5948    0.6208    0.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8881   -0.5937    0.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7213   -1.8823    1.6774 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 23 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 22 28  4  0  0  0  0
 28 29  1  0  0  0  0
M  END
$$$$
COVPDB1201
  Mrv2015 05262116143D          

 20 21  0  0  0  0            999 V2000
    1.5097    0.2816   -0.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2863   -0.0458    0.1112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3341    0.6450    1.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2285    1.6603    1.5962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5885    0.1910    1.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1913    0.7741    2.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2789   -0.8665    0.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4969   -1.3471    1.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0759   -0.8131    2.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4175    0.2946    3.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2809   -1.2865    3.2275 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6984   -2.6268    3.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8902   -3.4937    2.7195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9629   -3.1057    3.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3646   -4.3854    3.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0965   -0.3413    3.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4797    1.0688    4.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0570    0.9183    4.3424 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862    1.3780    5.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8676    0.6463    6.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  6 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$
COVPDB1202
  Mrv2015 05262116123D          

 20 20  0  0  0  0            999 V2000
   -0.7674   -2.6071   -4.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3684   -2.8980   -3.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1164   -3.8658   -3.8846 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6274   -2.1202   -2.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6235   -2.3749   -1.7135 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172   -1.8154   -0.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5486   -0.7523    0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1739   -0.2838    1.2685 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3487   -0.8005    1.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8913   -0.3442    2.7240 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9282   -1.8097    1.0015 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3531   -2.3171   -0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9652   -3.2363   -0.7119 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3774   -0.1745   -0.1909 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1932    1.2353   -0.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1924    1.5381   -0.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3578    3.0225   -1.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7384    3.3181   -1.9951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9162    4.8107   -2.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2098    5.0281   -2.9110 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  2  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
  6 12  4  0  0  0  0
 12 13  2  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  STY  2   1 DAT   2 DAT
M  SAL   1  1   8
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  SAL   2  1  11
M  SDT   2 MRV_IMPLICIT_H                                        
M  SDD   2     0.0000    0.0000    DR    ALL  0       0  
M  SED   2 IMPL_H1
M  END
$$$$
COVPDB1203
  Mrv2015 05262116123D          

 14 14  0  0  0  0            999 V2000
   -0.9767   -6.1057   -0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2043   -4.8445    0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0282   -4.9204    0.2519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8253   -3.6121   -0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2472   -2.4171    0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8409   -1.1457   -0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0504    0.0209   -0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4214    0.0027   -0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6438    1.2453   -0.3579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9804    1.4049   -0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4902    2.5436   -0.3221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    0.3290    0.0038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2369   -0.9142    0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0598   -1.8080    0.4281 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  2  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
  6 13  4  0  0  0  0
 13 14  2  0  0  0  0
M  STY  2   1 DAT   2 DAT
M  SAL   1  1   9
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  SAL   2  1  12
M  SDT   2 MRV_IMPLICIT_H                                        
M  SDD   2     0.0000    0.0000    DR    ALL  0       0  
M  SED   2 IMPL_H1
M  END
$$$$
COVPDB1204
  Mrv2015 05262116123D          

 23 23  0  0  1  0            999 V2000
    0.3661    5.3436   -2.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1054    4.0330   -2.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0697    3.7897   -1.7153 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1360    3.1123   -1.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9849    1.9361   -1.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9536    0.9633   -0.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5653   -0.3263   -0.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -1.2445   -0.0656 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8374   -0.9867   -0.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6784   -1.8520    0.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2464    0.2188   -0.6128 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3613    1.1814   -0.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9018    2.2505   -1.3256 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1602   -0.7738   -0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4081   -0.1672    1.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -0.6134    1.5032 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7573   -0.2734    0.4468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3919   -0.0674    2.8647 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7300   -0.5395    3.0268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3376    1.4763    3.1035 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8621    1.7661    4.3994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1025    2.3416    2.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0454    3.7191    2.4328 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  2  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
  6 12  4  0  0  0  0
 12 13  2  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  2   1 DAT   2 DAT
M  SAL   1  1   8
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  SAL   2  1  11
M  SDT   2 MRV_IMPLICIT_H                                        
M  SDD   2     0.0000    0.0000    DR    ALL  0       0  
M  SED   2 IMPL_H1
M  END
$$$$
COVPDB1205
  Mrv2015 05262116123D          

 17 17  0  0  0  0            999 V2000
   -1.4570   -0.2651    5.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1921    0.4320    4.9847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4961    0.8711    5.9383 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2311    0.5959    3.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2933    1.2706    3.4169 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9534    1.5990    2.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4803    1.5550    0.9617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3438    1.8623   -0.0500 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6176    2.2651    0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3697    2.5394   -0.7853 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0714    2.3767    1.4461 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2835    2.0461    2.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7929    2.1512    3.6386 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794    1.2657    0.6522 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3298    1.0416   -0.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8309    0.6846   -0.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2885    0.4102   -1.9586 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  2  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
  6 12  4  0  0  0  0
 12 13  2  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  STY  2   1 DAT   2 DAT
M  SAL   1  1   8
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  SAL   2  1  11
M  SDT   2 MRV_IMPLICIT_H                                        
M  SDD   2     0.0000    0.0000    DR    ALL  0       0  
M  SED   2 IMPL_H1
M  END
$$$$
COVPDB1206
  Mrv2015 05262115563D          

 21 23  0  0  0  0            999 V2000
    1.1963   -0.7202    0.0043 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1584   -0.0190    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1891    1.3981   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0200    2.1314   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0114    3.5374   -0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2096    4.2351   -0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4319    3.5318   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4088    2.1173   -0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6698    4.2157    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892    5.1076   -0.9017 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6779    4.0612    0.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6221    3.3318    2.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5602    2.6918    3.0133 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7387    4.8636    0.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3391    5.4955   -0.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0280    5.1265    1.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4932    4.5639    2.2003 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8288    5.9754    0.3696 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167    6.5754   -0.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1678    6.3379   -1.2732 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2469    7.4040   -1.4350 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
  9 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  3  0  0  0  0
 11 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 14 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 19 21  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  10
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1207
  Mrv2015 05262116133D          

 23 23  0  0  0  0            999 V2000
    4.9263    1.7713    3.7020 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4676    3.1383    3.1863 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.9163    3.3197    2.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2670    2.0722    2.3732 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458    1.2662    3.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1369    0.2037    2.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3576   -0.9415    3.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0465   -0.5366    3.2208 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0669   -1.8542    3.8025 S   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9711   -3.0913    2.7882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5682   -2.3008    5.2585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7925   -1.2389    3.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8216   -2.2726    4.3964 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8749   -3.3841    3.5909 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5360   -2.6744    5.6787 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0714   -1.7021    4.4049 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4948    0.4236    1.2441 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1599    1.5365    1.1949 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3939    4.3376    3.4832 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6346    5.2746    2.2195 P   0  0  2  0  0  0  0  0  0  0  0  0
    6.0218    4.4033    0.9544 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8699    6.2119    2.5466 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4522    6.0969    1.9423 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  6 17  4  0  0  0  0
 17 18  4  0  0  0  0
  4 18  4  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
$$$$
COVPDB1208
  Mrv2015 05262116003D          

  7  6  0  0  0  0            999 V2000
    2.1062   -1.1767   -1.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0642   -0.1286   -1.7443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7841    0.4301   -2.8305 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2943    0.2238   -0.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    1.2451    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1037    2.4070   -0.1569 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5118    0.9439    1.6393 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
M  END
$$$$
COVPDB1209
  Mrv2015 05262116063D          

  8  7  0  0  0  0            999 V2000
    4.5687    3.0861    2.2695 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460    3.0358    1.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5940    4.1033    1.9768 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5873    1.7446    1.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9091    1.2779    0.3542 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251   -0.0796    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0632   -0.1468   -0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1253   -0.2122   -0.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
$$$$
COVPDB120
  Mrv2015 05262115543D          

 26 27  0  0  1  0            999 V2000
    3.2606    7.7163   -2.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9054    6.6593   -1.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    5.3516   -1.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3795    4.3027   -0.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2080    3.1379   -0.5107 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9895    1.9873    0.5788 P   0  0  2  0  0  0  0  0  0  0  0  0
    4.3520    2.5656    2.0099 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8551    0.8484    0.2581 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4532    1.5508    0.5607 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0853    0.5721    1.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5681    0.2802    1.4199 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1789    1.4967    1.6131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1813    1.3052    2.6300 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7095    0.0924    3.4667 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1357    0.4810    4.4837 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0388   -0.7652    2.4357 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8710   -1.6803    1.8198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5416    1.1382    2.1281 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.5957    1.4913    2.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9241    1.3104    2.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1724    0.7373    1.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1059    0.3632    0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7934    0.6080    0.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3532   -0.2439   -0.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3674   -0.6547   -1.6806 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5180   -0.4469   -1.2738 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  CHG  1  18   1
M  END
$$$$
COVPDB1210
  Mrv2015 05262116143D          

 12 13  0  0  0  0            999 V2000
    1.5898    2.3121    0.1765 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1699    1.2147   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4232    0.0196   -0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0758    0.0130   -0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1415   -1.2588    0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4676   -1.2393   -0.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2523    0.0030   -0.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5883    1.2132   -0.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6549   -0.0128   -0.7512 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4056    1.1638   -0.5977 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7600    2.3684   -0.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3651    2.3934   -0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  2  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
M  END
$$$$
COVPDB1211
  Mrv2015 05262116143D          

 35 37  0  0  1  0            999 V2000
    0.3470   -8.7781   -6.5211 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6096   -7.9107   -7.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0067   -8.2305   -8.6208 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2811   -7.1102   -9.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7018   -5.9333   -8.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5895   -6.4569   -7.1554 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6418   -5.9483   -6.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5529   -4.4529   -5.8808 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6959   -3.4624   -6.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3079   -2.7520   -7.2435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552   -3.2615   -7.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7587   -2.4991   -8.7805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0476   -3.8677   -7.5270 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2019   -3.7465   -8.3635 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.4920   -3.2184   -7.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3632   -4.7057   -8.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3525   -4.0243   -4.7673 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4050   -4.6358   -4.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8929   -5.7126   -4.5578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0567   -4.0184   -2.9519 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4384   -3.4391   -3.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2829   -2.7446   -2.2710 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5204   -2.0451   -2.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7300   -3.7148   -1.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2444   -2.9683   -2.3995 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7267   -2.8926   -1.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8988   -3.7844   -0.2799 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9991   -1.7752   -0.8648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3329   -1.4371    0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2929   -0.1014    0.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5224    1.0430    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0511    2.3154   -0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4496    2.4592   -0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2738    1.3337   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6990    0.0620    0.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 30 35  4  0  0  0  0
M  END
$$$$
COVPDB1212
  Mrv2015 05262116023D          

 20 19  0  0  1  0            999 V2000
    2.9940    2.8363    0.8883 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6278    2.8584    0.4712 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0739    1.4113    0.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3102    1.3896    0.1342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9848   -0.0565    0.0772 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2222   -0.9543   -0.9832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9055   -0.7418    1.5042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3898    0.0840   -0.3222 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966    3.5116   -0.9410 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2213    2.7391   -1.9001 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9832    4.9903   -1.0298 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2618    5.8232   -0.1232 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8504    5.5672   -2.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8835    5.9812   -2.9769 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5540    5.6781   -3.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3502    6.4521   -2.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8296    6.6106   -2.8735 P   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7697    7.2966   -4.2999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6236    7.5701   -1.8907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    5.3132   -2.9540 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
$$$$
COVPDB1213
  Mrv2015 05262116123D          

 35 37  0  0  1  0            999 V2000
    4.9149   -1.8021   -0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8973   -0.8252   -1.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3707   -0.3678   -2.7032 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125    0.5965   -3.3751 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2891    1.8502   -2.5456 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    3.0523   -2.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5944    4.1477   -2.3228 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0480    2.6026   -4.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6026    1.1525   -4.7171 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7165    0.2156   -5.3440 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9813    0.2796   -6.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5732   -0.8492   -6.8520 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6140    1.4270   -7.3954 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8296    2.1340   -8.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3900    3.5976   -8.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2795    3.7895   -7.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8226    2.4733   -6.8015 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6650    2.3146   -6.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4344    3.1739   -5.1716 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6420    1.2436   -6.2758 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8714    1.7346   -6.2997 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7912    0.5867   -6.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0377    2.9496   -7.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4209    2.1362   -4.8857 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8762    0.1888   -5.3256 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9224   -1.1497   -5.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6115   -1.5395   -6.7693 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3736   -2.1119   -4.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2767   -1.8969   -3.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7628   -2.8535   -2.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783   -4.0342   -2.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8643   -4.9209   -1.9316 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4800   -4.2687   -4.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2218   -5.6638   -4.8330 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9679   -3.3197   -5.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  1  0  0  0  0
 31 33  4  0  0  0  0
 33 34  1  0  0  0  0
 33 35  4  0  0  0  0
 28 35  4  0  0  0  0
M  END
$$$$
COVPDB1214
  Mrv2015 05262116023D          

  8  8  0  0  0  0            999 V2000
    1.4511    0.3660    0.5746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0360   -0.0970   -0.2535 As  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9442    1.5851   -0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1626    1.6743    0.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8339    2.9082    0.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2889    4.0538    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0738    3.9662   -0.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4004    2.7322   -0.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
M  END
$$$$
COVPDB1215
  Mrv2015 05262115443D          

 17 16  0  0  0  0            999 V2000
   -0.7048   -0.1321    3.2443 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9615   -0.3826    2.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8818   -1.4459    1.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9085   -1.6704    0.8126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7600   -2.2582    1.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448   -3.5502    2.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6918   -4.5569    1.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8115   -4.6056   -0.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2901   -5.4269    1.9995 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2818   -1.8761    0.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3390   -0.5621   -0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4321    0.2642    0.3448 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4309   -2.7668    0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5627   -2.7414    1.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233   -3.7234    0.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3222   -5.0398    0.8923 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8088   -3.3678    0.7756 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  5 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
$$$$
COVPDB1216
  Mrv2015 05262116143D          

  9  9  0  0  0  0            999 V2000
   -1.3560   -1.7790    1.3873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5816   -1.4201    0.1172 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2338   -2.5104   -0.9028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0491    0.0541   -0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3355    0.3092   -0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8031    1.6296   -0.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8903    2.6979   -0.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4912    2.4475   -0.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9610    1.1282   -0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
M  END
$$$$
COVPDB1217
  Mrv2015 05262115523D          

 11 11  0  0  0  0            999 V2000
    3.1688   -0.4703   -4.9031 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1160   -0.0518   -3.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8627   -1.0278   -2.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0681   -0.7173   -1.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5032    0.5743   -1.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7758    1.5419   -2.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5707    1.2350   -3.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3087    0.8975   -0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    2.0515    0.1016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6199   -0.0807    1.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7332    0.5839    2.4931 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$
COVPDB1218
  Mrv2015 05262115403D          

 43 45  0  0  1  0            999 V2000
   -0.6800    1.1369    0.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0220    2.3658    0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3616    2.3932   -0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884    1.1905   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4313   -0.0379    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0388   -0.0812    0.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6346   -1.3892    0.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5054   -2.1254   -0.7865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9798   -3.3744   -1.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6078   -4.0342   -0.2038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917   -3.9259   -2.2896 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0857   -3.2949   -3.3720 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1236   -4.2759   -4.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8856   -5.6024   -4.2298 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9643   -6.5045   -5.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3081   -5.3691   -3.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069   -2.0688   -3.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2290   -0.9593   -3.6960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1070   -2.1443   -4.2139 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9882   -1.0160   -4.2739 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3941   -0.5863   -2.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5644   -1.3654   -2.5668 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3149   -1.5854   -3.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3009   -1.3889   -4.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5197   -1.5750   -6.0246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8703   -1.8192   -1.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9386   -1.9091   -0.4626 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2325   -2.1001   -0.7497 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.0796   -3.2157   -1.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3644   -4.5933   -1.6620 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2912   -5.5669   -2.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8766   -5.2571   -0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9359   -0.8458   -0.6858 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6103    0.1801    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6770    0.0592    0.9882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3175    1.3478    0.0799 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1611    2.5423    0.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9016    3.7576   -0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9430    3.7403   -1.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7520    4.9110   -2.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4970    6.1523   -1.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4103    6.2852   -0.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6115    5.1093    0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 38 43  4  0  0  0  0
M  END
$$$$
COVPDB1219
  Mrv2015 05262115433D          

 26 28  0  0  1  0            999 V2000
    1.6396    0.1360    0.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2411   -0.0773    0.0387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4317    0.4877    0.9682 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7045    0.4955    1.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5890   -0.1874    0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1370   -0.8293   -0.6628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9484   -0.1641    0.4555 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9135   -0.5206   -0.5430 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1730    0.4102   -0.4786 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.2686    1.9567    0.4857 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8273    3.1359   -0.8560 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3557    3.5893   -0.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7517    4.3876   -0.8148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9391    2.2756   -2.1706 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6884    0.9657   -1.6811 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7058    0.0996   -1.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8276   -0.0123   -2.7445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2247    2.3123   -2.9052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2673    2.8374   -4.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2876    1.8824   -2.4011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1028    1.2637    2.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2102    1.8088    3.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1729    2.6728    4.4272 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7008    2.3094    3.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9215    2.6815    4.0597 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4087    1.5698    2.5597 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  2  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  4 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  1  0  0  0  0
 24 26  4  0  0  0  0
 21 26  4  0  0  0  0
M  END
$$$$
COVPDB121
  Mrv2015 05262115443D          

 16 16  0  0  0  0            999 V2000
   -0.3659    3.2844    4.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3136    2.3584    3.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7506    1.4457    3.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8287    0.5633    1.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9099   -0.3621    1.9354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9821   -1.3137    1.1252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1752    0.6372    0.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0725   -0.1454   -0.1730 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7031    0.5416   -1.3951 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0347    1.8731   -1.8326 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1809    0.9152   -0.9648 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7406   -0.3950   -2.5246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3074    1.4869    1.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4203    1.5100    0.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5962    0.6657   -0.6680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3439    2.3512    2.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
  7 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 13 16  4  0  0  0  0
  2 16  4  0  0  0  0
M  END
$$$$
COVPDB1221
  Mrv2015 05262115583D          

 42 44  0  0  1  0            999 V2000
   -0.2465    0.0527   -0.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2821    0.0093   -0.4225 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9546    1.2990   -0.9857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5015    0.0439    1.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9770   -0.9522    1.6314 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3033   -1.4790    2.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3922   -0.9970    3.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3881   -0.5307    2.8979 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078   -1.0561    4.8654 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5079   -0.7383    5.7272 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4596   -1.3405    7.1802 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1977   -2.1624    7.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2313   -2.6445    8.8881 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1677   -3.2059    9.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0791   -3.3518    8.9057 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2974   -3.5581   10.8186 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2081   -3.9842   11.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6468   -4.8071   12.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8835   -4.1782   14.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026   -4.9195   15.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3784   -4.2134   16.2546 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2766   -6.3552   15.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5339   -7.1509   16.1149 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0787   -6.9729   13.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7877   -6.1667   12.7006 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6327   -6.7518   11.5381 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6014   -2.0997    6.8016 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6708   -1.6110    5.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4720   -1.8033    4.6282 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -3.1885    7.6226 S   0  0  2  0  0  0  0  0  0  0  0  0
    7.1955   -2.5014    7.6566 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7023   -4.5827    6.8386 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1498   -3.4227    9.1325 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5351   -2.5819    3.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4696   -3.1936    2.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1016   -4.5331    3.3326 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0553   -4.2558    4.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0238   -4.9575    5.8493 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7108   -3.1931    4.3895 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9654   -1.1832   -1.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2968   -2.1434   -1.6977 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1977   -1.3504   -0.8611 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  2  0  0  0  0
 20 22  4  0  0  0  0
 22 23  1  0  0  0  0
 22 24  4  0  0  0  0
 24 25  4  0  0  0  0
 18 25  4  0  0  0  0
 25 26  1  0  0  0  0
 11 27  1  0  0  0  0
 27 28  1  0  0  0  0
 10 28  1  0  0  0  0
 28 29  2  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  2  0  0  0  0
  6 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  1  0  0  0  0
 37 39  4  0  0  0  0
 34 39  4  0  0  0  0
  2 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
M  CHG  1  26  -1
M  END
$$$$
COVPDB1222
  Mrv2015 05262115463D          

 13 13  0  0  1  0            999 V2000
    4.5827    6.1686    0.7701 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5100    5.6278   -0.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    5.4363   -1.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    6.4527   -1.6147 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4490    4.1040   -1.3823 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2888    3.1728   -2.1584 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1658    3.5521    0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3665    2.2979    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0128    1.0408    0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2637   -0.1489    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1409   -0.0972   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7970    1.1462   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0484    2.3383   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
M  END
$$$$
COVPDB1223
  Mrv2015 05262115423D          

 57 62  0  0  1  0            999 V2000
    1.0183   -1.3793    1.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9777   -1.2658    2.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0237   -0.4343    3.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659    0.3081    2.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8188    0.1981    1.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0923   -0.6868    0.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2021   -0.8762   -0.7730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0671   -1.2779   -1.6819 P   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1621   -0.3128   -1.5081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5834   -2.7610   -1.3514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9810   -2.9661   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1290   -3.6754    0.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4920   -3.8777    2.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7304   -3.4062    2.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6043   -2.7344    1.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2368   -2.5248    0.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5275   -1.2219   -3.3309 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3097    0.0846   -3.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7982    0.3740   -4.9808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5239    1.7346   -5.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9921    1.8765   -6.4597 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043    3.0967   -6.7194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2329   -2.4048   -3.6054 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0704   -3.3773   -4.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9041   -4.3052   -4.4421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8770   -3.4725   -5.7286 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5559   -2.4851   -6.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8425   -1.6815   -7.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8663   -2.1746   -6.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2802   -3.3076   -5.4414 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0744   -4.1624   -4.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1050   -3.6863   -4.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8752   -5.6422   -4.6061 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3778   -6.1750   -3.2121 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2039   -6.1099   -1.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6246   -5.7917   -1.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3935   -5.7633   -0.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5819   -6.1060    0.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1743   -6.4262    0.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5453   -6.4092   -0.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8540   -7.5715   -3.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4590   -7.8011   -3.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0498   -9.0976   -3.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8291  -10.1888   -3.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2185   -9.9799   -3.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7273   -8.6817   -3.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0637   -6.2708   -5.1203 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1688   -7.0299   -6.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3248   -7.3915   -6.5602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0925   -7.3971   -7.0061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1593   -8.1277   -8.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8116   -8.4375   -8.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8830   -7.3962   -9.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3942   -7.6770   -9.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7584   -9.0021   -9.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1590  -10.0452   -9.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4352   -9.7656   -9.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 35 40  4  0  0  0  0
 34 41  1  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 41 46  4  0  0  0  0
 33 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  4  0  0  0  0
 53 54  4  0  0  0  0
 54 55  4  0  0  0  0
 55 56  4  0  0  0  0
 56 57  4  0  0  0  0
 52 57  4  0  0  0  0
M  END
$$$$
COVPDB1224
  Mrv2015 05262115523D          

 33 36  0  0  0  0            999 V2000
   -0.0545   -9.1360    2.5105 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3529   -9.5382    3.7612 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1763  -10.6201    3.5525 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7510   -9.9678    4.4561 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0211   -8.4477    4.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6648   -7.0878    4.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2924   -6.0714    5.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2923   -6.4187    6.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6081   -7.7289    6.1945 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0163   -8.7301    5.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9261   -5.4700    6.7845 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0634   -5.0292    6.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2885   -5.7053    6.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4355   -5.2711    5.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3579   -4.1782    4.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1382   -3.4875    4.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0127   -3.8897    5.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0154   -2.4070    3.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6733   -2.9512    2.1224 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5881   -1.7733    1.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9691   -2.1962   -0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7277   -2.8862    0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8898   -4.1600    0.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3784   -3.8393    2.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4796   -2.3256   -0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4602   -3.0461   -0.0826 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3260   -1.0000   -0.5246 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.2932   -0.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1451    0.7770   -1.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0266    1.5277   -1.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1661    1.2197   -1.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1162    0.2190   -0.0892 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0026   -0.5309    0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
M  END
$$$$
COVPDB1225
  Mrv2015 05262115503D          

 24 24  0  0  1  0            999 V2000
   -3.2059    7.4717   -3.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1939    6.3466   -2.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7896    5.2263   -1.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7805    4.0789   -1.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4008    2.9488   -0.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222    1.7774   -0.4735 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0264    1.1122   -1.6726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0478    0.7041    0.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3543    1.2209    1.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5374    1.2969    2.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9612    1.8507    4.1415 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0902    1.0488    4.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4113    1.2149    4.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2666    2.2330    4.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0381    3.3360    5.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1766    4.3957    5.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9217    5.4610    6.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9880    6.4748    6.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7297    7.7768    6.4014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1398    6.1545    7.0415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172    1.8196    4.8733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2668    1.2848    4.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2117    0.9311    2.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4927    0.3770    2.0717 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 11 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 10 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
$$$$
COVPDB1226
  Mrv2015 05262115533D          

  9  9  0  0  1  0            999 V2000
   -1.7263   -3.9191   -0.8365 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8714   -2.9025    0.2147 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8046   -1.7414   -0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0012   -0.5533   -0.2678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7675   -0.9025    0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -2.1986    0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2603    0.0171    0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5204   -0.3336    0.5114 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586    1.2145   -0.1541 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
$$$$
COVPDB1227
  Mrv2015 05262115563D          

 26 28  0  0  0  0            999 V2000
    1.5005    0.1228   -0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0617    0.0564   -0.0506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4558    0.6080    1.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8352    1.9603    1.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3060    2.6280    2.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6209    4.0119    2.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1252    4.7814    1.1163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3805    4.5856    2.9293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4214    1.8957    3.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6358    2.6015    4.6011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3860    2.2669    5.7251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6801    3.3743    6.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2741    4.6990    6.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7789    5.7332    6.7275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3812    3.1470    7.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6624    4.1235    8.6976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8093    1.8597    8.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5419    0.7517    7.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9973   -0.5874    7.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8350    0.9571    6.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5633   -0.1275    5.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3814   -1.0536    5.0146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3954   -0.2314    4.5401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1542    0.5058    3.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6481   -0.1482    2.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3484   -1.6052    2.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  5  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 12 15  4  0  0  0  0
 15 16  1  0  0  0  0
 15 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  1  0  0  0  0
 18 20  4  0  0  0  0
 11 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  9 24  4  0  0  0  0
 24 25  4  0  0  0  0
  3 25  4  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$
COVPDB1228
  Mrv2015 05262116153D          

 49 51  0  0  1  0            999 V2000
   -5.4422  -10.5884   -8.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8588  -10.9270   -6.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5244  -12.0536   -6.3185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0099  -11.9964   -5.1062 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6834  -10.8442   -4.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6251  -10.1473   -6.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2506  -10.3904   -3.7417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9713   -9.3632   -3.7503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8919  -10.9888   -2.5703 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0141  -10.3569   -1.2900 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.8113  -11.3944   -0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0958   -9.1815   -1.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3338   -8.3810   -0.2535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1161   -8.9612   -2.1324 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3998   -7.7670   -2.5095 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5615   -6.4651   -1.6399 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2068   -5.1739   -2.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8163   -6.4991   -0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9884   -8.0973   -2.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6029   -7.8464   -4.0434 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1198   -8.6493   -1.9744 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7160   -8.9310   -2.1851 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4719  -10.0874   -3.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0602  -11.4890   -2.8333 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9669  -12.4682   -4.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3865  -12.1093   -1.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1214   -7.7109   -2.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3023   -7.8487   -2.8070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3723   -6.4782   -2.0975 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2909   -5.2096   -1.9656 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8405   -5.1881   -1.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4315   -3.8399   -1.2074 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9611   -3.6874   -1.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6182   -3.4742   -0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5368   -3.4791    0.8310 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3480   -3.6735    0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828   -3.6760    0.9081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172   -4.3221   -3.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8036   -3.0932   -3.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621   -2.5150   -1.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0200   -3.1626   -1.1647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659   -1.2510   -1.5986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2010   -0.5763   -0.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3353    0.6119   -0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8755    1.9061   -0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0272    3.0157    0.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3695    2.8445    0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9186    1.5618   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0709    0.4532   -0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 32 36  1  0  0  0  0
 36 37  2  0  0  0  0
 30 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 46 47  4  0  0  0  0
 47 48  4  0  0  0  0
 48 49  4  0  0  0  0
 44 49  4  0  0  0  0
M  END
$$$$
COVPDB1229
  Mrv2015 05262116133D          

 25 26  0  0  0  0            999 V2000
   -3.8354    2.5914   -2.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4667    2.0255   -2.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9956    1.4101   -1.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6878    0.8958   -1.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1784    0.9890   -2.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2921    1.5823   -3.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6027    2.0897   -3.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8273    0.3443   -2.5129 S   0  0  1  0  0  0  0  0  0  0  0  0
    1.8479   -1.1144   -3.1834 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8416    1.2865   -3.3223 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.1705   -0.8540 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7065    1.4392   -0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9568    1.1220    1.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1665    1.1117    1.9252 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8934    0.6833    3.1676 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8257    0.4256    4.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5124    1.7891    4.8463 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.1969    3.1609    4.2484 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6205    1.7288    5.9158 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    0.9588    7.2286 P   0  0  2  0  0  0  0  0  0  0  0  0
    4.7189    1.4475    7.6773 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771    1.3313    8.3816 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1690   -0.4911    7.0082 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6134    0.4817    3.2572 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0258    0.7322    2.1300 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 15 24  4  0  0  0  0
 24 25  4  0  0  0  0
 13 25  4  0  0  0  0
M  END
$$$$
COVPDB122
  Mrv2015 05262116003D          

 25 25  0  0  1  0            999 V2000
    0.9238    2.7975   -0.1274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1930    3.1976    0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517    4.4829    0.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3340    2.4848    0.0551 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4299    1.2415   -0.6540 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8798    0.0515    0.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0316   -1.3818   -0.4155 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4515   -2.4454    0.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3890   -1.5350   -1.8223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8527    1.0639   -1.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1523    1.0845   -2.2524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8091    0.8682   -0.0764 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2017    0.6633   -0.3333 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8838   -0.1192    0.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8803    1.9508   -0.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3532    2.0952   -1.7964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0599    3.0277    0.1687 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6340    3.2444    1.5185 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8785    4.5935    1.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8107    3.1966    2.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8631    2.2919    3.2990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9377    4.1641    2.3791 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.8497    4.2226    1.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6765    4.2831    3.6086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8438    5.3951    3.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
$$$$
COVPDB1230
  Mrv2015 05262116133D          

 22 23  0  0  0  0            999 V2000
   15.4516   -0.2760   -2.6284 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2179    0.2317   -2.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1881    1.4575   -2.1869 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0239   -0.5491   -2.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7617    0.0737   -2.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5740   -0.6732   -2.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6201   -2.0606   -2.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8523   -2.7168   -2.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0444   -1.9516   -2.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8403   -4.1130   -2.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5738   -4.8542   -3.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1214   -6.1175   -3.8195 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4680   -7.2336   -4.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0544   -7.6806   -4.5381 B   0  0  0  0  0  0  0  0  0  0  0  0
   15.0425   -6.8055   -3.7640 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6382   -8.8327   -5.3810 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9521  -10.2337   -5.0656 P   0  0  2  0  0  0  0  0  0  0  0  0
   13.8240  -10.4559   -3.5034 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9050  -11.3668   -5.6298 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6385  -10.3276   -5.7106 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2258   -6.1651   -2.8812 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0314   -4.9877   -2.3783 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 12 21  4  0  0  0  0
 21 22  4  0  0  0  0
 10 22  4  0  0  0  0
M  END
$$$$
COVPDB1231
  Mrv2015 05262115483D          

 26 28  0  0  1  0            999 V2000
   -2.8395   -1.4706   -6.8245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7062   -0.7117   -5.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6433   -0.0652   -5.5687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7954   -0.6703   -4.6977 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0919   -0.0258   -5.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3643    1.2597   -4.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2878    1.2660   -3.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1610    2.1323   -2.6067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4323    0.2403   -3.6517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0265   -1.9169   -3.9920 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1085   -2.0665   -3.2420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9731   -3.3267   -2.5707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4643   -3.5920   -2.5358 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7920   -2.7977   -1.5501 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4592   -2.8807   -1.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8343   -3.9620   -1.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -1.6169   -1.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5807   -1.1675    0.1798 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0820    0.0342    0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6467    1.2413    0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0286    2.4733    0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4355    2.5042    0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675    1.3035    0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4925    0.0719    0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1328   -2.9213   -3.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0681   -3.1528   -4.4073 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 13 25  1  0  0  0  0
 10 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
$$$$
COVPDB1232
  Mrv2015 05262116073D          

 23 25  0  0  1  0            999 V2000
   -4.6538    2.7119    2.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    2.5799    2.0524 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4149    3.6591    2.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5661    0.9361    2.6838 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6874    0.3518    1.1984 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1312    0.2866    1.0552 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5934    0.4170    2.2770 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8100   -0.1260    2.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217   -0.8136    1.6947 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4373    0.1164    3.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8231   -0.7083    4.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5289   -1.7895    5.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9474   -2.5594    6.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520   -2.2603    6.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0641   -1.1963    6.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5165   -0.4241    5.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700    1.5655    0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5564    2.3794   -0.1033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5831    1.6063    0.5641 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5655    2.6331    0.5688 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5285    2.4124   -0.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7215    3.3771   -1.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1732    1.3452   -0.6575 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
  6 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
$$$$
COVPDB1233
  Mrv2015 05262115573D          

  7  6  0  0  0  0            999 V2000
   -1.7915    0.5261    2.0034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1353    1.9569    2.2206 P   0  0  1  0  0  0  0  0  0  0  0  0
    0.4306    1.7985    2.0065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6677    2.8888    1.2173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4416    2.4956    3.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8848    1.5423    4.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2904    1.6566    5.2079 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
$$$$
COVPDB1234
  Mrv2015 05262115483D          

 16 16  0  0  1  0            999 V2000
   -3.3954   -0.1738   -1.4459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0539   -1.4859   -1.4278 P   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7041   -1.9024   -3.1962 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.3965   -1.4336   -0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0564   -2.6267   -0.8884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7446   -2.8702   -1.4635 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7534   -3.5682   -2.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6001   -4.8616   -2.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7661   -1.6582   -1.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7256   -1.0685   -0.1121 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0097    0.0899   -0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6611    1.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0660    2.5336    0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4718    2.5059    0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    1.2733    0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4218    0.0701   -0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
M  END
$$$$
COVPDB1235
  Mrv2015 05262115403D          

 32 34  0  0  1  0            999 V2000
    1.9009   -0.8140   -0.9432 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7020   -0.5178    0.4906 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6392   -1.9315    1.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4535   -2.0045    2.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4906   -1.6119    3.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3568   -1.7799    4.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1752   -2.3245    5.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -2.6989    4.5896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2648   -2.5368    3.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5017    0.3613    0.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3968   -0.0421    1.4329 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2953    1.5735    0.0030 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3200    2.3603   -0.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6370    2.9294   -1.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8321    3.0944   -1.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9860    2.2377   -0.1526 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1814    1.3543   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2059    1.6425    0.4412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1121    0.2159   -0.9611 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0891   -0.8255   -1.0031 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9478   -1.5924   -2.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2819   -0.7320   -3.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2636   -0.0785   -4.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5872    0.7506   -5.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9295    0.9335   -5.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9609    0.2882   -4.9938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6310   -0.5374   -3.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2065    0.4562   -5.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3041    0.6041   -5.6463 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8636   -1.8271    0.2922 B   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2988   -1.3717    1.6871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2636   -3.2276    0.1304 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 26 28  1  0  0  0  0
 28 29  3  0  0  0  0
 20 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
$$$$
COVPDB1236
  Mrv2015 05262116033D          

 12 12  0  0  0  0            999 V2000
    1.0045    0.0175    0.9355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0262    0.0829    0.3881 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4499    1.0180   -0.3864 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567    2.1719   -0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    0.8726   -0.9003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1685   -0.3775   -1.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4674   -0.5337   -1.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3575    0.5554   -1.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6092    0.4016   -2.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9452    1.8016   -1.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6399    1.9555   -0.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8007    2.8529   -1.4064 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
  5 11  4  0  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$
COVPDB1237
  Mrv2015 05262115483D          

 25 26  0  0  1  0            999 V2000
   -2.0991   -0.8498    0.9143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7451   -1.5947    1.9185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5622   -2.9871    1.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7160   -3.6303    1.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0733   -2.8825    0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2974   -1.4959   -0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7121   -0.8005   -1.0844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7069   -0.4959   -2.3064 P   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9421    0.1400   -1.8189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0985   -1.9181   -3.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9677   -2.6760   -3.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3578   -3.4757   -3.0669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4780   -2.5712   -5.2334 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0716   -1.1540   -5.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744   -3.1139   -6.3208 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7069   -2.3967   -6.3328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9711   -3.0816   -7.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3216   -3.8762   -8.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862    0.5294   -3.3030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6139    1.7391   -2.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6825    1.9038   -2.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1319    3.1773   -1.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2901    4.2961   -1.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0107    4.1375   -2.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4622    2.8628   -2.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
M  END
$$$$
COVPDB1238
  Mrv2015 05262115443D          

 20 21  0  0  0  0            999 V2000
   -0.7706    1.6603   -0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0781    2.7824   -0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4724    2.6099   -0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0162    1.3134   -0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683    0.1900   -0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2390    0.3478   -0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1339   -0.8366   -0.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172   -1.7356   -1.2302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5230   -3.1132   -1.3744 P   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0274   -2.9388   -0.9111 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.5127   -3.4995   -2.7923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8389   -4.2973   -0.5395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6093   -4.0052    0.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6506   -3.4573    1.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9407   -3.0763    2.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0292   -3.2402    3.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2658   -3.8364    3.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5668   -4.2531    1.8012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7885   -4.9157    1.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7147   -5.0361    2.3432 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  CHG  1  10  -1
M  END
$$$$
COVPDB1239
  Mrv2015 05262115483D          

 28 30  0  0  1  0            999 V2000
    1.9264   -3.3471   -3.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7234   -3.0975   -2.4698 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0894   -2.6567   -1.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2938   -4.3833   -1.9622 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4541   -4.4406   -0.7885 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2594   -4.5853    0.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3785   -5.6508    0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6820   -3.3615   -0.8555 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6421   -3.3733    0.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1471   -1.9466   -1.2639 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7094   -2.0601   -2.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4751   -1.0716   -0.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9729    0.5150   -0.5846 P   0  0  1  0  0  0  0  0  0  0  0  0
    1.7198    0.4999   -1.8511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2873    1.4882   -0.7871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0529    1.6803    0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6882    2.6014    1.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5263    2.8018    2.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7319    2.0839    2.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0965    1.1627    1.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2697    0.9762    0.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8945    1.1824    0.5530 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0090    0.4531    0.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1672    0.5131    0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2606   -0.3294    0.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2122   -1.2189    1.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0920   -1.2263    2.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9992   -0.3822    1.9985 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
M  END
$$$$
COVPDB123
  Mrv2015 05262115543D          

 25 25  0  0  1  0            999 V2000
    1.4952   -2.7755    0.0714 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5494   -2.0741   -0.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3578   -2.7055   -2.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7762   -0.7315   -0.9202 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9697    0.0337    0.2743 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6642    1.3800   -0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6934    0.1811    1.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6244   -0.3542    2.1630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4531    0.8229    0.6649 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7663    1.5532   -0.5255 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0807    0.9637   -1.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8971    3.0385   -0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9107    3.6767   -1.4309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0377    3.7712    0.8317 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2955    5.1917    0.8380 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7771    5.5161    2.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1503    4.4162    3.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9960    3.2344    2.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1119    5.9910    0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2188    6.7428   -0.5756 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0576    5.9180    1.1197 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2225    6.7128    0.8670 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4080    5.9949    1.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3458    5.6648    0.6181 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0851    8.1052    1.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 22 25  1  0  0  0  0
M  END
$$$$
COVPDB1240
  Mrv2015 05262115513D          

 12 12  0  0  0  0            999 V2000
   -1.2375   -4.0397   -2.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0341   -3.3968   -1.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9677   -1.6606   -1.6292 S   0  0  1  0  0  0  0  0  0  0  0  0
    0.1900   -1.1198   -2.6024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3694   -1.0184   -2.0691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6619   -1.1853    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    0.0051    0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7019    1.2287    0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0028    2.4486    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    2.4493    0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1131    1.2304    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    0.0122    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
M  END
$$$$
COVPDB1241
  Mrv2015 05262115503D          

 23 23  0  0  1  0            999 V2000
   -2.5900   -4.3371    0.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1397   -3.8430    0.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0318   -2.5616   -0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4156   -1.9985   -0.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5318   -0.5785   -0.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8680   -0.0443   -0.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443    0.9578    0.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4034    1.4137    0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8324    2.0827    1.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0997    2.4160    2.7772 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7882    1.2148    3.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6559    0.4048    3.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3748    0.7736    3.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7099   -0.0683    3.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1366    0.5109    3.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1789   -0.2606    2.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5776    0.0740    2.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4528   -0.8938    3.0580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9881    1.2534    2.6057 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0570    3.2901    3.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2029    3.3600    2.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1004    2.6184    1.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0271    2.5008    0.7967 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 10 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
$$$$
COVPDB1242
  Mrv2015 05262115443D          

 49 50  0  0  1  0            999 V2000
   -6.1683    2.3428   10.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2604    2.6214    9.1837 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7992    2.8688    9.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4450    1.5182    8.0759 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0386    0.1983    8.4933 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7821   -0.3376    8.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7601    0.3031    8.2557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6254   -1.7082    9.1587 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1312   -1.7811   10.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0030   -2.4836   11.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7607   -2.1558   10.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2521   -2.1619    9.2121 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4585   -2.5548    8.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417   -2.7725    8.3619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9187   -2.7841    6.7375 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4900   -4.1774    6.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5539   -1.7338    5.8349 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2997   -1.3030    5.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7320   -1.8286    5.9866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1293   -0.1922    4.5378 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0938    0.9912    4.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.7094    3.2106 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1756   -0.1200    2.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7996    0.9660    2.1257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0432   -0.7582    0.8927 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3737   -0.4081   -0.4459 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9270   -0.3446   -0.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2702    0.9369   -0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1499   -1.5593   -1.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9274    1.9205    6.4848 P   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4806    2.1565    6.4312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2865    0.7604    5.4359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6733    0.5336    5.0740 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6651   -0.2569    3.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4370   -0.2294    6.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9398   -1.2792    6.5659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6569    0.2243    6.5019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4809   -0.3579    7.5224 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.7188    0.5484    7.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9075   -1.7475    7.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9913   -2.2108    5.9560 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2151   -2.5269    8.1559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6307    3.3274    5.9442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1725    4.1308    4.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7296    3.9442    3.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1593    4.6735    2.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0972    5.5697    2.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5879    5.7728    3.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1027    5.0713    5.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  4 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
 30 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 46 47  4  0  0  0  0
 47 48  4  0  0  0  0
 48 49  4  0  0  0  0
 44 49  4  0  0  0  0
M  END
$$$$
COVPDB1243
  Mrv2015 05262115513D          

 11 11  0  0  0  0            999 V2000
    0.1243    0.0045    0.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922   -0.0475    0.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9674   -1.3374   -0.7250 S   0  0  1  0  0  0  0  0  0  0  0  0
    3.5716   -1.3972   -0.6573 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4006   -2.7465   -0.1988 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4597   -1.0429   -2.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6122   -1.9472   -3.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052   -1.6853   -4.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.5195   -5.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4814    0.3879   -4.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8903    0.1260   -3.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
M  END
$$$$
COVPDB1244
  Mrv2015 05262115533D          

 17 19  0  0  0  0            999 V2000
   -1.1451   -0.9471   -0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4643   -0.5124   -0.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7553    0.8658   -0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7322    1.8263   -0.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4334    1.3652   -0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1150    0.0035   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0734    2.2231    0.0834 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0407    0.7688    0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1922   -0.2875    0.2191 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4981    0.7253    0.5630 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1135    1.8411   -0.0800 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0965   -0.4820   -0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7322   -1.3989    0.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8643   -1.2258    2.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4517   -2.0976    2.7796 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3653   -0.0860    2.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7204    0.8570    2.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  6  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 10 17  1  0  0  0  0
M  END
$$$$
COVPDB1245
  Mrv2015 05262116073D          

 22 24  0  0  1  0            999 V2000
    6.7889   -5.7293    0.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3104   -4.3465   -0.0559 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9950   -4.4764   -1.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7531   -3.8234    0.7754 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1487   -2.0548    0.9813 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7087   -0.9674   -0.0503 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2289    0.4009    0.5079 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0098    0.1862    1.2183 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9936    1.4055   -0.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3385    2.7443   -0.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1642    3.6167   -1.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0844    4.5341   -1.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6954    5.1744   -3.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4426    4.8031   -3.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7851    3.6238   -2.4923 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0988   -1.0422   -0.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7151   -0.5141   -1.4674 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3793   -2.0573    0.2940 N   0  0  2  0  0  0  0  0  0  0  0  0
    7.2940   -3.1471    0.2263 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1105   -3.2420    1.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4589   -3.3256    1.3932 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5758   -3.2823    2.5915 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
  6 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  5 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
$$$$
COVPDB1246
  Mrv2015 05262115533D          

 19 21  0  0  0  0            999 V2000
    4.1444    1.1685    1.2413 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.7460    0.4461   -0.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3523    0.7514   -1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1326    1.6827   -1.8766 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3677    0.0388   -0.4475 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0041    0.1685   -0.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6437    0.6692   -1.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0393    0.8527   -1.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6846    1.3782   -2.8648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0744    1.5877   -2.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8055    1.2629   -1.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1677    0.7310   -0.6273 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8244    0.5076   -0.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2061   -0.0569    0.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7913   -0.2326    0.5813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9701   -0.4373    1.5997 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4558   -0.9855    2.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0709   -1.1759    2.8362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2466   -0.7993    1.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 13  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
  6 15  4  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 15 19  4  0  0  0  0
M  END
$$$$
COVPDB1247
  Mrv2015 05262115483D          

 14 15  0  0  0  0            999 V2000
   -2.2303   -0.6635    2.3817 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9359   -1.8440    2.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5921   -3.0210    2.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5260   -2.9531    1.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7990   -1.7177    0.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1381   -0.5613    1.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4589    1.0167    0.6930 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2992    0.9981   -1.0640 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6668    1.0954   -0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0650   -0.0454   -0.3528 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3473   -0.0602    0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9691    1.1429    0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333    2.3408    0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0989    2.3224   -0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
M  END
$$$$
COVPDB1248
  Mrv2015 05262116133D          

 39 44  0  0  1  0            999 V2000
    3.7915    4.7507   -2.8830 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4836    5.0529   -2.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0194    6.0271   -3.7275 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7010    6.3719   -3.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2027    5.7324   -2.9819 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2192    4.7528   -2.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4581    3.9831   -1.2701 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8825    4.0369   -1.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3446    5.1279   -0.0711 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8686    5.4099   -0.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3794    6.3383    0.9152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0327    5.7596    2.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5568    5.5698    2.4720 N   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2138    5.0697    3.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7472    4.9775    4.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0306    6.1448    4.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4230    6.0568    4.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0554    4.8005    4.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3005    3.6249    4.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0964    3.7209    4.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1060    2.0486    4.2305 S   0  0  1  0  0  0  0  0  0  0  0  0
    2.9173    1.7914    5.6629 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0573    0.8522    4.0223 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1774    2.0141    3.0369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9747    4.7167    1.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4658    3.1984   -0.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382    2.0721    0.6814 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6511    0.6873    0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0023    0.5350    0.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7260   -0.5759   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0082   -0.8787    0.2606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2104   -2.0640   -0.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9928   -2.5026   -1.1666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1350   -1.5214   -0.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7887   -1.4031   -1.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0384   -0.2979   -0.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9462   -0.2112   -1.2897 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.6991    3.4355   -1.1434 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5578    4.3936   -2.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  2  0  0  0  0
 13 25  1  0  0  0  0
  9 25  1  0  0  0  0
  7 26  4  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 30 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 28 36  4  0  0  0  0
 36 37  1  0  0  0  0
 26 38  4  0  0  0  0
 38 39  4  0  0  0  0
  2 39  4  0  0  0  0
  6 39  4  0  0  0  0
M  END
$$$$
COVPDB1249
  Mrv2015 05262116133D          

 36 40  0  0  0  0            999 V2000
    1.2885    2.6776   -9.0547 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3934    2.3528   -8.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8167    2.9752   -8.0488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7450    2.6717   -7.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4798    1.7215   -6.1568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2846    1.0755   -6.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.1273   -5.3695 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4278   -0.4500   -4.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1530    0.0810   -2.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4736   -0.5850   -1.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0017    0.0984   -0.4110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5109   -0.4785    0.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0319    0.3378    1.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7973    1.4298    2.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3603    2.1921    3.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8510    1.8752    4.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6374    0.8004    3.7431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1972    0.0435    2.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1641    0.4196    4.5548 S   0  0  2  0  0  0  0  0  0  0  0  0
    3.0518    0.7793    6.1780 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3549    1.2996    3.9384 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5308   -1.1356    4.4156 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4763   -0.1320   -5.8487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900   -1.2376   -5.2237 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0070   -2.8525   -5.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5797   -3.4826   -4.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0333   -4.7737   -4.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5428   -5.5103   -3.2111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0789   -6.5949   -3.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4091   -6.6743   -5.2801 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414   -5.4471   -5.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3716   -4.8472   -6.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8961   -3.5376   -6.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4851   -2.7130   -8.3786 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.7557    0.6223   -6.9289 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6715    1.3751   -7.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  2  0  0  0  0
  7 23  4  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 25 33  4  0  0  0  0
 33 34  1  0  0  0  0
 23 35  4  0  0  0  0
 35 36  4  0  0  0  0
  2 36  4  0  0  0  0
  6 36  4  0  0  0  0
M  END
$$$$
COVPDB124
  Mrv2015 05262115533D          

 25 26  0  0  0  0            999 V2000
   -1.8991    0.9994    1.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8405    1.2215    0.4725 N   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2347    2.2702   -0.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3693   -0.0612   -0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9561    0.0801   -0.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7075   -1.5437   -1.2617 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4859   -1.0439   -2.2616 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5710   -0.5267   -0.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0206   -0.3021   -1.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9296    0.3735   -0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3477    0.4305   -0.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7204    1.5647   -1.1690 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2282   -0.6480   -0.8225 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9607   -1.9398   -0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0714   -2.2307    0.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3709   -2.1751    0.1989 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6796   -0.9490   -0.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5260   -0.5518   -1.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2596   -3.2351    0.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8308   -4.5677    0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7319   -5.6447    0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0827   -5.4085    0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5387   -4.0942    0.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1720   -3.8117    0.9811 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.6285   -3.0207    0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 23 25  4  0  0  0  0
 19 25  4  0  0  0  0
M  END
$$$$
COVPDB1250
  Mrv2015 05262116123D          

 22 22  0  0  1  0            999 V2000
   -0.8256   -3.0276   -4.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3991   -3.1772   -3.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859   -3.9790   -4.0736 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5728   -2.4306   -2.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6283   -2.5406   -1.8154 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0666   -1.9372   -0.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4284   -0.9032    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0600   -0.3669    1.1246 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2823   -0.7852    1.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264   -0.2661    2.5240 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9135   -1.7674    0.8423 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3425   -2.3465   -0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0003   -3.2480   -0.8149 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1937   -0.4248   -0.2571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2023    0.9484   -0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6809    1.1311   -0.6355 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9119    0.4706   -1.8811 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1407    2.6151   -0.7986 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3895    3.2504   -1.8326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0515    3.5097    0.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8502    2.9875    1.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8978    3.9815    2.7086 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  2  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
  6 12  4  0  0  0  0
 12 13  2  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  2   1 DAT   2 DAT
M  SAL   1  1   8
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  SAL   2  1  11
M  SDT   2 MRV_IMPLICIT_H                                        
M  SDD   2     0.0000    0.0000    DR    ALL  0       0  
M  SED   2 IMPL_H1
M  END
$$$$
COVPDB1251
  Mrv2015 05262116123D          

 19 19  0  0  0  0            999 V2000
   -0.7341   -2.6278   -4.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3865   -2.9238   -3.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1279   -3.9032   -3.8674 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6188   -2.1360   -2.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6017   -2.3749   -1.7049 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0849   -1.8041   -0.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -0.7000    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1999   -0.2113    1.2125 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3630   -0.7522    1.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9359   -0.2870    2.6557 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9029   -1.8052    0.9921 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2999   -2.3367   -0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8757   -3.3023   -0.6512 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3772   -0.1099   -0.2384 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1532    1.2984   -0.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2353    1.5868   -0.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4285    3.0638   -1.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8065    3.2870   -2.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9647    4.6433   -2.4133 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  2  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
  6 12  4  0  0  0  0
 12 13  2  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  STY  2   1 DAT   2 DAT
M  SAL   1  1   8
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  SAL   2  1  11
M  SDT   2 MRV_IMPLICIT_H                                        
M  SDD   2     0.0000    0.0000    DR    ALL  0       0  
M  SED   2 IMPL_H1
M  END
$$$$
COVPDB1252
  Mrv2015 05262116123D          

 18 18  0  0  0  0            999 V2000
   -0.8003   -2.5717   -4.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3643   -2.8569   -3.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1163   -3.8138   -3.9090 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6293   -2.0856   -2.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6323   -2.3256   -1.7202 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1114   -1.7573   -0.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5261   -0.6973    0.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1479   -0.2238    1.2581 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193   -0.7427    1.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8532   -0.2978    2.7323 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9099   -1.7467    1.0038 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3458   -2.2537   -0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9721   -3.1655   -0.7096 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3446   -0.1355   -0.2009 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436    1.2643   -0.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2484    1.5206   -0.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4451    2.9869   -1.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7352    3.1340   -2.0105 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  2  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
  6 12  4  0  0  0  0
 12 13  2  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  STY  2   1 DAT   2 DAT
M  SAL   1  1   8
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  SAL   2  1  11
M  SDT   2 MRV_IMPLICIT_H                                        
M  SDD   2     0.0000    0.0000    DR    ALL  0       0  
M  SED   2 IMPL_H1
M  END
$$$$
COVPDB1253
  Mrv2015 05262116123D          

 22 22  0  0  1  0            999 V2000
   -0.6365   -2.7263   -4.5464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4883   -2.9718   -3.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3105   -3.8717   -3.9145 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6487   -2.2342   -2.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6860   -2.3942   -1.7205 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1367   -1.8332   -0.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5378   -0.7750    0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1388   -0.3127    1.2756 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3047   -0.8323    1.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8180   -0.3934    2.7782 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -1.8253    1.0364 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690   -2.3263   -0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0100   -3.2283   -0.6898 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3661   -0.1944   -0.2169 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1960    1.2121   -0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1835    1.5405   -1.0463 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4036    0.7114   -2.1871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2925    3.0328   -1.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6744    3.4450   -2.0671 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9136    2.7950   -3.3166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7725    4.9729   -2.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0540    5.3280   -2.8098 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  2  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
  6 12  4  0  0  0  0
 12 13  2  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  2   1 DAT   2 DAT
M  SAL   1  1   8
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  SAL   2  1  11
M  SDT   2 MRV_IMPLICIT_H                                        
M  SDD   2     0.0000    0.0000    DR    ALL  0       0  
M  SED   2 IMPL_H1
M  END
$$$$
COVPDB1254
  Mrv2015 05262116123D          

 22 22  0  0  1  0            999 V2000
   -0.7204   -2.4917   -4.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3715   -2.8829   -3.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0614   -3.8934   -3.8522 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6280   -2.1421   -2.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131   -2.4162   -1.6553 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0901   -1.8842   -0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5401   -0.8075    0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1770   -0.3614    1.3437 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3241   -0.9278    1.7862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8659   -0.5022    2.8299 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8716   -1.9587    1.0997 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2959   -2.4391   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8801   -3.3838   -0.6122 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3853   -0.1924   -0.1226 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2640    1.2191   -0.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0914    1.5453   -0.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2651    3.0062   -1.4911 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6085    3.1371   -1.9612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2873    3.4775   -2.6157 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5737    4.8385   -2.9419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3378    2.6402   -3.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5622    3.1707   -4.8857 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  2  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
  6 12  4  0  0  0  0
 12 13  2  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  2   1 DAT   2 DAT
M  SAL   1  1   8
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  SAL   2  1  11
M  SDT   2 MRV_IMPLICIT_H                                        
M  SDD   2     0.0000    0.0000    DR    ALL  0       0  
M  SED   2 IMPL_H1
M  END
$$$$
COVPDB1255
  Mrv2015 05262116133D          

 13 13  0  0  0  0            999 V2000
    3.6314   -1.6279    0.5590 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3060   -1.9118    0.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0001   -3.0689    0.9758 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3060   -1.0077    0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5161    0.2582   -0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    1.2300   -0.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9383    2.4470   -1.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0169    3.4826   -1.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3367    3.3265   -0.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2023    4.3449   -1.1625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7621    2.1211   -0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5467    1.8660    0.1320 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8351    1.0916   -0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  1  0  0  0  0
 11 13  4  0  0  0  0
  6 13  4  0  0  0  0
M  END
$$$$
COVPDB1256
  Mrv2015 05262116133D          

 12 12  0  0  0  0            999 V2000
    2.0003   -0.0001   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0496    0.0009    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0987    0.0007    0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.3517    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0631    1.2110    0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4709    1.2064    0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2096   -0.0030   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5576    0.0029    0.0002 N   0  3  0  0  0  0  0  0  0  0  0  0
   -7.2410    1.0729    0.0747 O   0  5  0  0  0  0  0  0  0  0  0  0
   -7.1967   -0.9744   -0.0678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4680   -1.2119   -0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0607   -1.2130   -0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  3  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  4  0  0  0  0
 11 12  4  0  0  0  0
  4 12  4  0  0  0  0
M  CHG  3   3   1   8   1   9  -1
M  END
$$$$
COVPDB1257
  Mrv2015 05262116133D          

 11 11  0  0  0  0            999 V2000
    1.4537    0.0139   -0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0176    0.1037   -0.0173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4424    0.6635    1.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6717   -0.1478    2.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1631    0.4157    3.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4306    1.7963    3.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025    2.6168    2.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7104    2.0469    1.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5041    4.1629    2.4891 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4211    5.1241    2.9860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9219    4.6757    2.2269 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
$$$$
COVPDB1258
  Mrv2015 05262116133D          

 41 46  0  0  1  0            999 V2000
    1.7312   -0.1807    0.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2805   -0.1199    0.6648 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2857    1.2270    0.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3328    1.0698   -0.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6736   -0.4243   -0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3378   -1.1060   -0.2683 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5199   -1.4998   -1.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5411   -2.4248   -1.0949 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1762   -3.0495   -2.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6706   -4.1657   -2.6832 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3140   -4.8334   -3.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6382   -6.0653   -4.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1403   -6.8751   -5.2122 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4506   -6.4862   -5.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1654   -5.1815   -5.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5598   -4.3696   -4.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1223   -3.1750   -3.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3628   -2.6067   -2.5858 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3530   -2.5056   -3.8176 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7461   -1.3624   -2.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5879   -0.2846   -3.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7365   -0.9164   -4.3160 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3816   -1.9263   -5.3084 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4976   -2.6364   -6.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2591   -1.7681   -6.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8928   -1.0354   -7.5092 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3865   -2.9837   -4.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0334   -0.5564   -3.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9257   -1.4375   -3.9678 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4114    0.7509   -3.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6704    1.1740   -3.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4272   -8.0136   -5.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9847   -8.6457   -6.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3684   -9.6686   -7.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1521  -10.1768   -7.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4304   -9.6887   -6.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6315  -10.3161   -5.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2711   -9.9200   -4.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7149   -8.8924   -3.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5254   -8.2729   -4.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1869   -8.6177   -5.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
  9 18  4  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  3  0  0  0  0
 23 27  1  0  0  0  0
 19 27  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 13 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 32 41  4  0  0  0  0
 36 41  4  0  0  0  0
M  END
$$$$
COVPDB1259
  Mrv2015 05262115523D          

 22 24  0  0  0  0            999 V2000
    2.6809   -0.7927   -1.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2133   -0.0549    0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3927    1.3593   -0.0236 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4097    2.0970    0.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2958    3.3913    0.1225 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1762    3.4727   -0.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5961    2.2121   -0.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5775    4.5587   -1.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4140    4.3059   -1.9415 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1642    3.0721   -1.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4343    2.0169   -1.3665 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2807    2.9065   -2.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2738    2.7675   -3.1781 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    5.7561   -1.2501 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0772    6.8170   -2.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    7.2240   -2.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8387    8.3030   -3.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2784    8.6521   -4.1726 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0224    9.0051   -3.8877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    8.6351   -3.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3267    9.2922   -3.5285 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2521    7.5456   -2.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  3  7  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  3  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 20 22  4  0  0  0  0
 15 22  4  0  0  0  0
M  END
$$$$
COVPDB125
  Mrv2015 05262115513D          

  8  7  0  0  1  0            999 V2000
    2.6281    2.3689   -0.7423 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0925    0.9973   -1.0138 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4889   -0.0091    0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1159   -0.0244    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0788   -0.0314    0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5736    1.0011   -1.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3186    0.2251   -0.2210 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1833    1.7339   -1.8555 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  3  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
M  END
$$$$
COVPDB1261
  Mrv2015 05262116133D          

 37 40  0  0  0  0            999 V2000
    1.2425   -0.0685   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1670    0.0729    0.1447 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5039    0.8094    1.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0385    0.8589    1.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5799    1.7897    2.9109 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3249    1.6908    2.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1315    2.6748    2.4061 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3940    2.2144    2.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5171    2.9557    2.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5331    2.3316    1.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6298    3.0683    0.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7345    4.4436    1.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7566    5.1250    0.5955 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7299    5.0804    1.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6285    4.3431    2.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3424    0.9131    3.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0473    0.6190    3.1742 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4126    0.0550    3.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3952   -1.3179    3.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5220   -2.1081    3.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5938   -1.5510    3.9147 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6488   -0.2510    4.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5338    0.5692    4.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7169    0.3275    4.9295 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0132   -0.0996    5.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4655   -1.4343    4.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8393   -1.7574    4.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1957   -3.0638    4.7786 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2961   -3.5465    4.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0611   -2.7781    3.4978 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5906   -4.8952    4.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9973   -5.8599    4.9218 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7738   -0.7279    5.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3424    0.5931    5.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9692    0.9032    5.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5744    2.1979    5.5818 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4515    2.5024    6.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 12 14  4  0  0  0  0
 14 15  4  0  0  0  0
  9 15  4  0  0  0  0
  8 16  4  0  0  0  0
 16 17  4  0  0  0  0
  6 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 27 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 25 35  4  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  17
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1262
  Mrv2015 05262116133D          

 34 37  0  0  0  0            999 V2000
    1.2311   -0.5751   -0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1572   -0.4554    0.3530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3802    0.4458    1.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793    1.7760    1.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8891    2.7446    2.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8286    2.4023    3.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0091    3.2601    4.4407 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3115    4.5972    4.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5219    5.2684    3.4444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4081    5.2924    5.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1004    4.8144    6.8932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5538    1.0530    3.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3305    0.0566    2.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0519   -1.2717    2.9534 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2566   -1.9532    4.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8190   -3.2416    3.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2403   -3.9652    5.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0419   -3.3990    6.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4400   -2.1341    6.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0837   -1.4642    5.3505 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9094   -5.2021    4.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0929   -5.4455    5.5366 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5116   -6.6566    5.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0364   -7.3758    5.6251 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2030   -6.7267    4.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5962   -7.2221    4.3645 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5771   -6.3529    4.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4028   -6.6642    3.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8818   -6.2844    3.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0386   -6.6720    3.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9301   -7.4391    2.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0036   -7.8129    1.4402 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6600   -7.8081    1.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4958   -7.4241    2.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 12  4  0  0  0  0
 12 13  4  0  0  0  0
  3 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 17 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  4  0  0  0  0
 26 27  4  0  0  0  0
 21 27  4  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  1  0  0  0  0
 31 33  4  0  0  0  0
 33 34  4  0  0  0  0
 28 34  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  22
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1263
  Mrv2015 05262116133D          

 36 39  0  0  0  0            999 V2000
    1.2224   -0.5728    0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -0.4250    0.3673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3920    0.4815    1.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6588    1.8163    1.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8914    2.7842    2.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8834    2.4360    3.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0792    3.2951    4.4336 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3519    4.6402    4.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5368    5.2995    3.4235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4653    5.3424    5.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0039    4.8061    6.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6461    1.0820    3.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3908    0.0885    2.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1240   -1.2394    2.9735 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1687   -1.9169    4.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7673   -3.1894    3.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1600   -3.9153    5.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8997   -3.3676    6.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2693   -2.1167    6.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0598   -1.4420    5.3744 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8740   -5.1277    5.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0526   -5.3176    5.6337 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5270   -6.5119    5.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8087   -7.0878    5.6956 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9278   -6.9175    4.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3135   -7.3616    5.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3054   -7.1552    4.1590 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6495   -7.0787    4.4074 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5873   -6.2710    4.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4279   -6.6163    3.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8678   -6.2460    3.9517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0147   -6.6728    3.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8874   -7.4726    2.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9514   -7.8891    1.4748 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6071   -7.8303    1.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5391   -7.4053    2.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 12  4  0  0  0  0
 12 13  4  0  0  0  0
  3 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 17 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  4  0  0  0  0
 28 29  4  0  0  0  0
 21 29  4  0  0  0  0
 29 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  1  0  0  0  0
 33 35  4  0  0  0  0
 35 36  4  0  0  0  0
 30 36  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  28
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1264
  Mrv2015 05262115563D          

 28 30  0  0  1  0            999 V2000
    1.2691   -0.2625    0.0332 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1342   -0.0882    0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2151    0.1171   -0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8567   -1.0073   -0.5999 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1909   -1.0890   -0.8594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9437   -0.1091   -0.6428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7731   -2.3541   -1.3854 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5585   -3.5693   -0.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379   -4.7542   -1.2965 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9083   -6.3343   -0.9175 S   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2980   -7.5021   -1.8331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4594   -6.1618   -1.2965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7474   -6.7811    0.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5304   -6.5916    1.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4186   -6.9591    2.8355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5204   -7.5199    3.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7365   -7.7071    2.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8488   -7.3415    1.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1756   -4.3388   -2.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2028   -2.7894   -2.7670 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8447   -2.1275   -3.9541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0881   -1.3088   -4.5344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1313   -2.3307   -4.4711 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1308   -3.2146   -3.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5161   -2.5290   -3.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9095   -1.9745   -5.0653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9502   -1.0299   -5.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5507   -1.6839   -5.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 28  1  0  0  0  0
M  END
$$$$
COVPDB1265
  Mrv2015 05262116073D          

 23 24  0  0  0  0            999 V2000
    8.0317    3.0260    1.1931 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6420    2.8761    0.5633 B   0  0  0  0  0  0  0  0  0  0  0  0
    6.1897    3.9703   -0.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1097    3.3868   -1.3898 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3610    4.5453   -2.4938 S   0  0  2  0  0  0  0  0  0  0  0  0
    3.3907    3.7280   -3.4768 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4992    5.2674   -3.3626 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4153    5.7162   -1.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6214    7.1049   -1.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8996    8.0041   -0.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9665    7.5013    0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7700    6.1569    0.1220 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4458    5.2638   -0.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    8.3397    0.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3528    9.6689    1.0566 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5159   10.0282    1.9771 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1158    8.9960    2.4389 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3166    7.9564    1.8102 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5469    2.0073    1.2176 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1087    0.6260    1.7722 P   0  0  2  0  0  0  0  0  0  0  0  0
    6.9160   -0.1270    0.6362 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8632   -0.2770    2.1576 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541    0.8320    2.9534 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 14 18  4  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  18
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1266
  Mrv2015 05262116133D          

 35 38  0  0  1  0            999 V2000
    2.6238    3.0817    3.6153 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9946    1.9738    2.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8100    2.3358    1.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2252    3.5664    1.9652 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6420    4.5134    0.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    1.4139    0.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7747    0.1620    0.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1357   -0.7066   -0.1578 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4938   -0.5203   -1.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9896   -0.1870    1.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6720   -1.6987    0.9308 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6114    0.7140    2.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8450    0.3547    2.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8818   -0.7459    3.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0634    1.0308    2.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352    2.0013    1.8058 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2550    0.6326    3.1761 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4567    1.3870    2.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2926   -0.4831    3.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1030   -1.2023    4.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4567   -0.9702    4.5029 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5386   -2.1229    5.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4021   -2.8178    5.4713 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1938   -2.3798    5.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7655   -2.5533    5.5904 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1678   -3.9300    5.6355 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5134   -4.0724    6.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2099   -5.1500    5.7520 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9341   -5.0155    4.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4563   -4.5790    4.2482 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2288   -3.7128    3.1250 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2974   -4.0582    1.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6207   -5.2249    1.4767 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0055   -3.1569    0.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6906   -1.8643    0.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
  2 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 13 15  4  0  0  0  0
 15 16  2  0  0  0  0
 15 17  4  0  0  0  0
 17 18  1  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 14 20  4  0  0  0  0
 19 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 20 24  4  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
$$$$
COVPDB1267
  Mrv2015 05262116143D          

 35 36  0  0  1  0            999 V2000
    3.1183   -2.0027   -1.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289   -0.9372   -0.5530 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5141   -1.6327    0.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875    0.0422   -0.9471 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7628    1.2930   -0.0483 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1470    1.0421    1.3105 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1293    0.2326    1.7751 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9115   -0.4084    1.0362 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1788    0.1284    3.1301 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6523   -0.9731    3.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9106   -0.6173    4.7664 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2278   -0.8914    3.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5194   -0.6180    4.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4665   -1.4686    6.1657 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5121   -2.8165    5.8983 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5707   -1.1637    6.9231 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1376   -1.1058    7.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8898   -1.3816    6.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5990    2.2212   -0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5941    3.1813   -0.8578 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5706    2.0436    0.8310 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4597    2.9307    1.0482 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1024    2.1684    0.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2302    1.5882   -0.5073 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4043    2.6300   -1.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917    2.3529   -2.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3470    1.3345   -1.4808 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5307    0.9010   -0.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8542   -0.0136    0.2710 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6153    3.5500    2.4748 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5203    4.4033    2.8058 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1206    4.5747    2.6880 S   0  0  2  0  0  0  0  0  0  0  0  0
    3.2725    5.6892    1.4010 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4367    3.6626    2.7302 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0200    5.4015    4.0563 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 11 18  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  2  0  0  0  0
 22 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 32 35  2  0  0  0  0
M  END
$$$$
COVPDB1268
  Mrv2015 05262116143D          

 37 39  0  0  1  0            999 V2000
    0.5499    4.8319    0.0189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7911    4.4903   -0.3271 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2985    3.2752    0.5176 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3833    2.0044    0.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6643    0.9174    1.5469 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3612    1.3534    3.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7068    0.3782    3.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9260   -0.5241    2.5033 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1963   -0.2682    1.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2436   -0.9936    0.3959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6612    2.8676    0.3140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4446    2.8519   -0.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0456    3.2895   -1.9138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7931    2.2224   -0.7395 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8007    2.9926    0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4785    3.1766    1.7100 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5656    4.0669    2.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2861    4.2842    3.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1563    2.9352    4.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0765    2.0308    4.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3277    1.8327    2.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5419    0.8465   -0.4371 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4150   -0.1339   -0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6589    0.0075   -0.0687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8046   -1.3024    0.2062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2662   -2.3539    1.0617 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5867   -3.6284    0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7157   -4.9204    1.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5168   -5.0914    2.1610 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7580   -6.1522    3.0053 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3652   -5.3864    1.4637 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3046   -3.7927    2.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0909   -2.5344    2.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7685    6.0169   -0.0421 S   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8568    6.3330    1.6365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2635    5.8807   -0.6002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0515    7.2642   -0.7495 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 26 33  1  0  0  0  0
  2 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 34 37  2  0  0  0  0
M  END
$$$$
COVPDB1269
  Mrv2015 05262116143D          

 30 31  0  0  1  0            999 V2000
   -0.8007    9.1317    3.3952 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0596    8.1276    2.4890 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9298    8.6524    1.5564 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7245    6.9299    3.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9502    5.7242    2.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6612    5.2913    1.5132 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0597    6.4903    0.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2645    7.6936    1.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    4.3953    0.4641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7799    3.0775    0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0293    2.4638    1.0785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4079    2.5149   -0.7815 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5272    1.1441   -1.1979 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7910    0.0558   -0.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0963   -1.4398   -0.6989 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5691   -2.3687    0.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5356   -1.8809   -2.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9927    0.9138   -1.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5396    0.8362   -2.3905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7093    0.7878   -0.1061 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1189    0.5758    0.0435 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6239   -0.5414   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9144   -1.6498   -0.2860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9249    1.8958   -0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6943    2.9240    1.0011 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3641    2.5359    2.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3960    3.6457    2.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2202    4.5852    1.6255 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3048    4.2286    0.7208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9986    4.9528   -0.2539 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
$$$$
COVPDB126
  Mrv2015 05262115583D          

 25 26  0  0  1  0            999 V2000
   -2.7355   -2.5628   -3.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310   -1.4524   -2.3574 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1786   -0.5540   -3.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0674    0.1346   -4.2816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6280    0.9810   -5.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241    0.5349   -6.4001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4716    2.4201   -4.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7145    3.2433   -5.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5727    4.7483   -5.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8130    5.5690   -5.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6601    7.0066   -5.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5872    7.9015   -6.1950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5950    7.4222   -4.0029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9042   -1.9911   -1.2815 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9093   -0.9383   -0.3126 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0515   -0.3142    0.2409 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0869    0.8531    0.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0390    0.0029    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1824    0.1778   -0.1668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0282   -0.3954   -1.3050 S   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4270   -1.1165   -1.0040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2642    1.0727   -1.8999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2229   -3.2936   -0.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5123   -4.3999   -0.9667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -3.4237    0.1763 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 16 20  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
$$$$
COVPDB1270
  Mrv2015 05262116143D          

 30 31  0  0  1  0            999 V2000
    0.6736    4.9647    2.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8397    6.0889    3.4781 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5027    7.2006    2.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7587    7.6560    1.6973 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5844    6.6197    0.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1171    5.3518    1.2964 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6334    5.5853    1.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5371    5.8775    0.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    4.3511    0.2704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1502    2.9997    0.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987    2.3311    0.4416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3615    2.4651   -0.0098 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6082    1.1785   -0.6013 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0350   -0.0863    0.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1068   -1.4323   -0.6744 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4504   -2.5883    0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4563   -1.3465   -2.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0718    1.0880   -0.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4967    1.3684   -2.0021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9273    0.7090    0.1403 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3559    0.5675    0.0809 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7702   -0.4212   -0.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3071   -1.5042   -0.6184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1189    1.9179   -0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9021    2.9413    1.0662 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5448    2.5385    2.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5780    3.6372    2.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4361    4.5818    1.7323 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5531    4.2312    0.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3012    4.9564   -0.1941 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
$$$$
COVPDB1271
  Mrv2015 05262116133D          

 30 31  0  0  1  0            999 V2000
   -7.2041    9.5745   -2.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3833    8.4997   -1.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1004    8.1877   -0.8340 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4348    7.2792    0.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1922    7.0439    1.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9640    6.4730    0.5050 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6867    7.3121   -0.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9529    7.5160   -1.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0035    5.0763    0.1409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2199    3.9733    0.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6331    4.0879    2.0996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0441    2.6875    0.5165 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4254    2.1493   -0.6669 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8505    3.1625   -1.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1091    2.5689   -2.9533 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4422    3.7096   -3.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379    1.7104   -3.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3902    1.2034   -0.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6141   -0.0278   -0.2456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2273    1.6863    0.3643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1506    0.9439    0.9598 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3855   -0.1248    0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5367   -0.0479   -0.4082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5295    0.4030    2.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8499    1.5180    3.4225 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3896    2.3158    3.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4998    2.0424    5.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187    1.2410    5.7350 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3736    0.9574    4.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4286    0.2864    4.7536 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
$$$$
COVPDB1272
  Mrv2015 05262116143D          

 32 34  0  0  1  0            999 V2000
   -1.9321    1.2356    1.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6865    1.2733    0.6123 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8939    2.0924   -0.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241   -0.0988    0.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2640   -0.1137   -0.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1117   -1.7122   -0.1043 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5785   -1.6516   -1.6069 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8393   -0.5307   -0.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0630   -0.3797   -1.8655 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0359    0.5079   -1.2996 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3448    0.5748   -1.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9063   -0.3632   -2.2920 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0531    1.8579   -1.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8630    1.9597   -0.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3166    2.5368    0.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1155    2.7381    2.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4609    2.3376    2.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3779    2.4445    3.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5851    2.0795    2.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2945    1.4394    1.0445 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9970    1.7508    0.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2178    1.5480   -0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6891    0.2208   -3.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8351   -0.4414   -4.2273 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2607    1.5128   -3.1959 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9859    2.2897   -4.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8846    3.7012   -3.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6847    4.1809   -3.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6343    5.4922   -2.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7306    6.2890   -2.9058 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8985    5.8715   -3.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0009    4.5693   -3.9804 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 21  4  0  0  0  0
 21 22  4  0  0  0  0
 14 22  4  0  0  0  0
  9 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
M  END
$$$$
COVPDB1273
  Mrv2015 05262116143D          

 34 35  0  0  1  0            999 V2000
   -1.9832    1.2419    1.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7365    1.2527    0.6309 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8991    2.1099   -0.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2148   -0.1264    0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1921   -0.1425   -0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -1.7375   -0.1142 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5037   -1.6799   -1.6310 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8104   -0.6329   -0.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0024   -0.4587   -1.8948 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9942    0.3824   -1.2874 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2606    0.5630   -1.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7700   -0.2524   -2.5676 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9688    1.8206   -1.4417 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1308    2.5244   -2.6739 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2850    1.6626   -0.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4198    1.1853   -1.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6876    1.1685   -0.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8658    1.6307    0.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7164    2.0464    1.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4494    2.0600    0.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2215    1.7571    1.0960 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2143    1.5520    2.4563 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.1361    0.8709    0.5781 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.6817    3.0301    0.8604 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6083    0.1926   -3.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6506   -0.4633   -4.2448 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2793    1.5151   -3.1734 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0399    2.3105   -4.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9505    3.7185   -3.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    4.5889   -3.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9171    5.9027   -3.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6704    6.3367   -2.9393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    5.4400   -2.9448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7624    4.1771   -3.4103 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  9 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
M  END
$$$$
COVPDB1274
  Mrv2015 05262115413D          

 26 27  0  0  1  0            999 V2000
   -7.0538    2.6056   -4.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2686    1.5661   -3.9728 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2379    0.8133   -4.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6046    2.2448   -2.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2267    1.2704   -1.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0705    1.7199   -0.8637 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6052    1.1875    0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2527    0.2992    0.9057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2807    1.6068    0.8186 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2873    2.0058    2.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9068    2.5369    2.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8129    2.7240    4.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6462    1.6073    5.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4717    1.7785    6.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4739    3.0712    7.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6643    4.1889    6.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8356    4.0164    4.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4099    0.4872    0.6351 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898    0.4447   -0.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0915    1.4070   -0.8344 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5098   -0.7833   -0.1101 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8252   -0.5934    0.4330 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9206   -1.3748    1.2238 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1375   -2.8236    1.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3551   -3.3542    1.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759   -3.5802    1.5124 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
$$$$
COVPDB1275
  Mrv2015 05262116143D          

 36 40  0  0  1  0            999 V2000
   -4.6770    1.6013   -0.7619 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4687    1.1642   -1.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3436    1.2096   -0.4186 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2235    0.7197   -1.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4016    0.2234   -2.2727 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0410    0.4363   -2.6784 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0226    0.7542   -0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9082   -0.0808   -0.8182 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1054   -0.2090   -0.4057 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2781    1.6667    0.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9902    1.3426    1.6066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2717    2.9097    0.5557 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2648    3.8935    1.5871 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9938    5.2288    1.2381 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9188    5.3961   -0.3201 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2776    6.4821    0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7421    6.2797    1.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8370    7.0185    1.9558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1116    6.5829    1.8809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5535    5.2892    1.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0462    5.2527    1.8031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3200    6.5508    2.3299 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6402    6.9518    2.7808 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.3746    7.8478    1.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6350    9.1843    2.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8159    9.1899    3.6980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6716    7.7794    4.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1947    7.3087    2.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1332    8.5141    2.6414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1176    5.4923    2.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9682    4.8803    2.2094 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3613    3.7324    2.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6532    2.8148    3.3438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5753    5.2748    3.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7086    5.1124    4.8900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7880    5.1916    4.1610 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 27  1  0  0  0  0
 22 28  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  2  0  0  0  0
 17 30  2  0  0  0  0
 30 31  1  0  0  0  0
 14 31  1  0  0  0  0
 31 32  1  0  0  0  0
 13 32  1  0  0  0  0
 32 33  2  0  0  0  0
 30 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
M  END
$$$$
COVPDB1276
  Mrv2015 05262115483D          

 22 24  0  0  0  0            999 V2000
    1.3940   -9.2163    2.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0978   -7.9652    1.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1887   -7.4518    1.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1684   -8.1212    2.2640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3387   -6.1975    1.3427 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4729   -5.4648    1.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2812   -4.0843    0.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7914   -5.9756    1.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8887   -5.1208    0.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857   -3.7414    0.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3681   -3.2080    0.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7527   -2.9202    0.4624 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5971   -1.5952    0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3504   -1.0754    0.1669 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2262   -1.8221    0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9775   -1.2822    0.1973 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5986   -0.0829   -0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3221    1.1289   -0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8520    2.3005   -0.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3612    2.2850   -1.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103    1.0991   -1.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6324   -0.0742   -1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
M  END
$$$$
COVPDB1277
  Mrv2015 05262115443D          

 28 28  0  0  1  0            999 V2000
   -1.4092   -4.4262   -1.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5065   -3.1652   -1.4559 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8193   -3.5975   -1.8150 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0271   -2.9582   -1.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0009   -3.7134   -2.0454 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -1.5103   -1.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9847   -0.8559   -0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9637    0.6996   -0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1504    1.4052    0.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8482    2.8997    0.4010 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0704    3.6421    0.3087 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2163    4.8852   -0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2431    5.5098   -0.7118 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5558    5.4978   -0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0600    5.6706    1.1167 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0644    3.4908    1.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3180    3.6345    2.7004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2170    3.8646    1.0907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1781   -1.8563   -2.3588 P   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7658   -1.8922   -2.2374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7268   -0.5583   -1.8375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8606   -2.0412   -3.9200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4880   -0.9047   -4.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8174   -0.8618   -5.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2771    0.2862   -5.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4280    1.3967   -5.9522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8867    1.3518   -5.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3490    0.2021   -4.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
M  END
$$$$
COVPDB1278
  Mrv2015 05262115593D          

 21 22  0  0  1  0            999 V2000
    1.6137   -0.2144   -0.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1766   -0.1763   -0.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2851    0.5026    1.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6659   -0.1611    2.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5235   -1.4984    2.2030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6983   -2.2303    1.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1674    0.5482    3.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207   -0.1172    4.2570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2769    1.9645    3.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8870    2.5875    2.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4180    1.8902    0.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1189    2.5189   -0.0604 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7811    2.7344    4.4061 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8084    3.7252    4.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1831    3.6690    6.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1481    3.3305    4.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3572    4.4454    3.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6443    4.9598    3.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7595    4.3872    3.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5827    3.3065    4.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2955    2.7819    4.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
M  END
$$$$
COVPDB1279
  Mrv2015 05262115513D          

 14 14  0  0  1  0            999 V2000
    1.4098    1.9249   -3.3381 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9294    0.7511   -2.6016 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5541    0.4091   -3.0395 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8510   -0.4988   -2.9142 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9547    1.0568   -1.0344 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5790   -0.0499   -0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5507    0.4329    1.2839 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1159   -0.6652    2.2861 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7976   -0.5125    3.5302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3837   -0.3927    2.4595 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1241   -1.0448    1.4971 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4551    1.1328    2.2688 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3833    1.5214    1.3982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005    1.8119    3.5123 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  2   3  -1   4  -1
M  END
$$$$
COVPDB127
  Mrv2015 05262115413D          

 20 21  0  0  1  0            999 V2000
    1.7110   -0.5491    1.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3220   -0.1591   -0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2112   -0.8650   -1.1077 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8154   -2.3213   -1.5421 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5959   -1.7683   -2.8322 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8853   -0.5193   -2.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    0.5549   -3.1333 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2401   -2.4575   -4.3608 S   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0213   -1.6926   -4.9899 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8844   -4.0103   -4.1804 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6841   -2.2365   -5.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6767   -3.2335   -5.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8710   -2.9922   -6.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0907   -1.7512   -6.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3558   -1.4524   -7.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0759   -0.7695   -6.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8818   -1.0106   -6.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8793   -3.3464   -1.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966   -4.4503   -0.7077 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9503   -3.2314   -2.1034 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 11 17  4  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
$$$$
COVPDB1280
  Mrv2015 05262115453D          

 27 28  0  0  1  0            999 V2000
   -2.4130    2.7244   -1.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0526    2.7460   -0.4235 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7668    4.1935    0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1534    2.2384    0.3503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6800    1.0359    0.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1525    1.2063    1.0038 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9000    1.9070   -0.2144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3510   -0.1181    1.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9019   -0.0147    0.4122 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8811   -1.2871    0.4463 P   0  0  2  0  0  0  0  0  0  0  0  0
    1.8031   -1.9817    1.7401 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4889   -0.7193    0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7447    0.0032   -1.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2409    0.3993   -1.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5694    1.1637   -2.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9850    1.4910   -2.7054 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9080    0.6535   -3.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5427   -2.3085   -0.7462 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -2.7549   -0.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6600   -2.1698   -1.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0063   -2.5731   -1.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4956   -3.5716   -0.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7960   -3.9272   -0.7943 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.2638   -4.7976    0.0057 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.5946   -3.4538   -1.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5520   -4.1825    0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1998   -3.7947    0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 22 26  4  0  0  0  0
 26 27  4  0  0  0  0
 19 27  4  0  0  0  0
M  CHG  2  23   1  24  -1
M  END
$$$$
COVPDB1281
  Mrv2015 05262115573D          

 33 34  0  0  1  0            999 V2000
   -1.3098    1.0280   -0.8509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1961    0.1832   -0.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3282   -1.0835   -0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8088   -1.9079    0.3601 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5714   -1.3645    1.6225 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6220   -1.0909    2.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7307   -2.3533    1.9678 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4456   -1.9663    3.1401 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -3.8060    2.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3895   -4.2358    0.8803 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3501   -3.2633    0.5963 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7476   -5.6458    1.0576 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2761   -5.6084    2.0525 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1713   -6.1394   -0.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8433   -6.9051   -1.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862   -7.3600   -2.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9008   -7.9012   -3.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420   -8.1598   -3.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0791   -8.2124   -4.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4467   -6.9413   -5.2571 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1741   -7.3124   -6.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6217   -5.9669   -5.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6954   -4.6781   -5.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3481   -4.0596   -4.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7756   -3.8910   -5.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3191   -3.7644   -6.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3955   -2.8171   -6.9473 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0525   -3.0335   -8.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1927   -2.5459   -9.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3273   -1.5326   -9.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1889   -0.9412   -7.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4952    0.0888   -7.8433 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8427   -1.4829   -6.9160 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 27 33  1  0  0  0  0
M  END
$$$$
COVPDB1282
  Mrv2015 05262116123D          

 31 36  0  0  1  0            999 V2000
    4.2250   -7.4297   -3.5333 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1410   -8.6156   -3.7362 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7087   -8.7486   -3.7452 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8071   -8.8657   -5.1089 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1206   -9.3698   -4.8778 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8833   -7.5860   -5.9859 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3308   -7.9491   -7.2938 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -6.8595   -6.0765 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6618   -5.7174   -6.9248 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9903   -6.4010   -4.6774 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4923   -5.9724   -4.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611   -5.4405   -3.4770 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1997   -4.1733   -3.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7142   -4.1357   -1.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2904   -5.3757   -1.4857 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5110   -6.1267   -2.5207 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6427   -2.9604   -0.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2681   -2.2636   -1.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1363   -0.9938   -0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1804   -0.4474   -0.3823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4410    0.7450    0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8791    1.2894    0.1277 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0968    2.5859    0.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5308    3.1567    0.7616 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7072    3.5207   -0.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5189    2.2327   -1.6128 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0845    1.6528   -1.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5874    1.1686   -1.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3973    0.8044    0.3061 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5896    2.0857    1.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9634    0.2240    0.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 12 16  4  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 24 30  1  0  0  0  0
 29 31  1  0  0  0  0
 22 31  1  0  0  0  0
M  END
$$$$
COVPDB1283
  Mrv2015 05262115413D          

 26 27  0  0  1  0            999 V2000
   -7.2641    5.6787    4.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9999    4.7385    3.1610 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.1264    5.5364    1.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6107    4.0279    3.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4473    2.7267    2.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1310    2.6237    1.8938 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5996    1.5182    1.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2152    0.4248    1.3158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3408    1.6441    0.5185 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7055    1.7659   -0.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5266    2.1689   -1.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9904    2.2948   -3.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2813    3.5591   -3.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7840    3.6598   -5.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9947    2.4986   -5.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6934    1.2365   -5.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1948    1.1367   -4.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4858    0.5034    0.7081 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1263    0.5226    0.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5123    1.6002    0.8520 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954   -0.7631    0.6999 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0203   -0.6040    0.5876 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5459   -1.2146    1.7916 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8219   -2.6509    1.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9921   -3.1603    1.4508 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9704   -3.4136    2.4082 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
$$$$
COVPDB1284
  Mrv2015 05262116133D          

 16 18  0  0  1  0            999 V2000
   -4.8007   -1.0188   -1.0607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6364   -1.9506   -0.7320 B   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3455   -1.3860   -0.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1933   -2.1089   -0.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2151   -3.5108   -0.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0011   -4.1961   -0.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2206   -3.5183   -0.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2509   -2.1431   -0.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4392   -1.5995   -0.4452 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0510   -1.4092   -0.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1113   -0.0084    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2778    0.6749    0.1064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8977    0.6966    0.2661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4699   -4.3099   -0.7412 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4314   -4.3717    0.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8142   -3.5746   -0.7941 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
  4 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 16  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
$$$$
COVPDB1285
  Mrv2015 05262115553D          

 23 32  0  0  0  0            999 V2000
    0.9056    5.7616    0.0389 Rh  0  0  0  0  0  0  0  0  0  0  0  0
    1.1816    7.7426   -0.7663 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6433    7.3022   -0.7354 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5147    6.0318   -0.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    5.5767    0.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2747    5.6144    1.7033 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6615    6.9607    2.0505 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4243    7.8267    1.7228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5789    8.6093    0.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0096   -0.9221    1.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7225   -1.5060    0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6713   -0.8420   -0.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138    0.1835    0.3838 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1434    0.1161    1.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1302    0.8593    2.4661 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2402    1.1248    0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7149    2.5930    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5325    3.5254   -0.3587 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5241    4.0300    0.6092 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3091    5.1194   -0.0914 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7583    5.2654   -1.4922 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3796    4.2801   -1.6643 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1379   -1.1576   -1.5212 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 22  1  0  0  0  0
 18 22  1  0  0  0  0
 12 23  2  0  0  0  0
M  END
$$$$
COVPDB1286
  Mrv2015 05262116143D          

 44 48  0  0  1  0            999 V2000
  -14.2269    0.7437   -6.7596 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9394    0.3467   -5.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9014   -0.1305   -4.8585 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6462    0.4814   -4.9206 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4196    0.1225   -3.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1587    0.3306   -2.9847 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1253    0.8866   -3.6925 N   0  3  0  0  0  0  0  0  0  0  0  0
  -10.3039    1.1873   -5.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5445    0.9903   -5.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8848    1.2050   -3.0114 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.7244    1.2496   -3.8666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8406    2.2904   -3.4083 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.4256    1.7243   -3.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6755    1.6102   -4.3532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4008    0.6396   -4.4105 P   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5779   -0.6376   -3.4887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3421    0.1383   -5.7963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9829    1.3424   -4.1538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6284    2.3135   -2.9347 P   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7176    3.4450   -2.7517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690    2.9877   -3.2945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3484    1.5677   -1.5436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4308    0.8844   -0.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3986    1.1180    0.6393 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5807    2.5101    0.9497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4877    2.6616    2.0638 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7723    1.2322    2.5979 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8767    0.9002    3.6622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5177    0.3494    1.3748 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1461   -0.9858    1.7174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6539    3.4349    1.6947 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8491    4.1177    0.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0166    4.7885    0.5331 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5863    4.5226    1.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8100    4.9314    2.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6540    5.7480    1.6151 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1264    4.4786    3.5152 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2957    3.6594    4.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1018    3.2724    3.6882 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7459    3.6885    2.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4914    2.9514   -2.1704 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2894    4.3637   -2.1364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9685    2.5955   -2.3392 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.8361    2.6216   -0.8016 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  1  0  0  0  0
 35 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 31 40  4  0  0  0  0
 34 40  4  0  0  0  0
 12 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 10 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  CHG  1   7   1
M  END
$$$$
COVPDB1287
  Mrv2015 05262116073D          

 24 24  0  0  1  0            999 V2000
    2.3030   -4.1871   -1.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2509   -3.1027   -2.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9659   -2.1464   -1.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0662   -1.0382   -1.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3144   -0.0631   -0.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3999    1.0179   -0.5015 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9979    1.8490   -1.5907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6515    1.8550    0.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2735    1.3973    1.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4969    2.1972    2.9673 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8759    2.6199    3.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5032    2.1637    4.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6578    1.4236    4.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0252    0.8106    5.9002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2915    1.4089    4.3127 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2222    2.0590    5.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9790    1.3151    6.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0969    2.0039    7.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2556    1.3291    8.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    2.0443    9.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4069    1.3677   11.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4049    2.0238   12.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5305    1.3709   12.4268 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2245    3.1893   12.4694 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
$$$$
COVPDB1288
  Mrv2015 05262115563D          

 21 21  0  0  1  0            999 V2000
    1.5812   -1.6253    0.8624 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1059   -0.3151    1.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4297    0.7615    0.1459 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1319    2.1419    0.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667    0.8988    0.6004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4672    0.3564   -1.3842 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8488    1.3650   -2.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7739    0.0647   -2.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8650    0.1649   -1.4230 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7636   -0.3252   -3.3409 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9218   -0.6877   -4.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5832   -0.8929   -5.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7333   -1.3226   -6.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8371   -1.6159   -5.9120 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124   -1.3970   -7.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6999   -2.4928   -8.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4113   -2.2072   -8.8459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5514   -3.2463   -9.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9686   -4.5851   -9.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2445   -4.8851   -8.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1030   -3.8475   -8.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
M  END
$$$$
COVPDB1289
  Mrv2015 05262115533D          

 12 11  0  0  1  0            999 V2000
   -1.7953    4.0081   -4.2607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9877    3.0277   -3.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4797    2.7996   -2.1620 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8316    2.3416   -2.1972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5995    1.7984   -1.3512 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6170    0.5110   -1.9706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0515    1.6115    0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9735    2.8484    0.9465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0216    3.5161    1.1145 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2144    3.3065    1.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    4.4959    2.2062 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2701    2.6338    1.5283 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
$$$$
COVPDB128
  Mrv2015 05262115443D          

 37 40  0  0  1  0            999 V2000
   -3.6388   -0.3043    0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7770   -1.1333    0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6425   -2.5402    0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3716   -3.1357    0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2456   -2.2939    0.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3804   -0.9097    0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8876   -2.5590    0.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2363   -1.3211    0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1622   -0.3294    0.3179 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1476   -1.0756    0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9572   -2.0287    0.3080 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5530    0.2239    0.3760 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8590    0.7402    0.0733 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0061    0.2756    1.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7888    0.5806    2.5514 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9333    2.1425    2.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9518   -0.1315    3.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1831    0.6186   -1.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1673    1.2568   -1.8224 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3551   -0.0547   -2.2335 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2171    0.1874   -3.6363 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5806   -1.0419   -4.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7748   -0.7210   -5.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6775   -0.2064   -5.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8303    1.1318   -4.7685 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0905    1.3379   -3.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3725    1.4049   -3.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9041    2.5058   -3.9867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8639    2.5225   -5.8759 S   0  0  1  0  0  0  0  0  0  0  0  0
    0.4581    2.5183   -6.7837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1452    2.3610   -6.8280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0041    4.0238   -4.9506 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0045    5.0089   -4.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1265    6.1285   -4.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2603    6.2615   -3.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2557    5.2691   -3.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0956    4.1944   -4.1584 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  6  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 27  1  0  0  0  0
 27 28  2  0  0  0  0
 25 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 32 37  4  0  0  0  0
M  END
$$$$
COVPDB1290
  Mrv2015 05282120123D          

 44 47  0  0  0  0            999 V2000
   -5.8255   -5.8255    0.0000 Ru  0  2  0  0  0  0  0  0  0  0  0  0
    4.4438   -8.9563    0.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6420   -7.8167    0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2243   -6.6248    0.2458 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5718   -6.4651    0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4165   -7.5814    0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8415   -8.8347    0.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0888   -5.1946   -0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7182   -4.5059   -1.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2823   -3.2429   -1.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1853   -2.6749   -0.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5190   -3.3923    0.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9724   -4.6164    0.6970 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4926    6.1780    1.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0321    4.9289    0.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3279    4.8454    0.2556 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1586    5.9232    0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6582    7.1961    0.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3129    7.3197    0.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4887    5.7420   -0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5017    6.1165    0.6117 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8125    5.9754    0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1674    5.4381   -0.9597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1515    5.0510   -1.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8018    5.1916   -1.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9010    6.6585    1.5066 I   0  0  0  0  0  0  0  0  0  0  0  0
   10.4911    5.8951   -0.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0891    6.1819   -0.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8616    7.0946   -1.6057 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1087    5.4720   -0.1497 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7413    5.5821   -0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0935    6.0721   -1.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6959    6.2612   -1.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0410    6.7937   -2.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6541    7.0272   -2.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288    6.7133   -1.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5708    6.1705   -0.3318 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9106    5.9285   -0.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5239    5.3593    0.8179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7531    4.9831    1.8741 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2593    4.4403    3.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6440    4.2491    3.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4773    4.6185    2.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9391    5.1833    0.8649 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 33 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 31 44  4  0  0  0  0
 39 44  4  0  0  0  0
M  CHG  1   1   2
M  END
$$$$
COVPDB1291
  Mrv2015 05262115523D          

 13 14  0  0  0  0            999 V2000
   -1.1115   -4.7650   -2.4586 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2871   -3.3617   -0.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5513   -2.1668   -1.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7153   -1.2328    0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5709   -1.5142    1.0240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2642   -2.6796    1.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1193   -3.5900    0.0723 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0112   -0.0178    0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143    1.2081    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0085    2.4249    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3994    2.4246    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1040    1.2066   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4028   -0.0122   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  4  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
M  END
$$$$
COVPDB1292
  Mrv2015 05262115443D          

 27 29  0  0  1  0            999 V2000
    6.3287    2.0626    4.6939 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1679    2.5696    4.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8462    3.7130    4.8187 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3914    1.8729    3.5216 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0140    2.1445    3.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5170    1.3167    2.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9715    1.3416    1.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4387    0.5048    0.6689 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7556    1.1385   -0.5828 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6223    0.5616   -1.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2574   -0.6334   -1.9247 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8970    1.3252   -3.0596 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3405    1.8556   -3.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2621    2.9282   -4.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8288    3.5056   -4.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0258    2.5883   -3.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0394    0.3349    0.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7482    1.3685    0.7992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7136   -0.9042    0.8152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0635   -1.0423    0.8407 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5589   -2.3082    0.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9268   -2.6431    0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3048   -4.0038    0.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3228   -5.0204    0.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9513   -4.6915    0.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6012   -3.3338    0.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0427   -2.5335    0.8177 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 26 27  4  0  0  0  0
 19 27  4  0  0  0  0
M  END
$$$$
COVPDB1293
  Mrv2015 05262116063D          

 14 14  0  0  0  0            999 V2000
   -1.5806   -4.7151    3.4064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3114   -3.8786    2.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2971   -2.5009    2.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276   -1.5666    1.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7693   -2.0062    0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7896   -3.3828    0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0598   -4.3561    1.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0700   -5.6682    0.7365 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.8382   -6.0910   -0.4419 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2854   -6.5210    1.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -0.7334   -1.0237 As  0  0  1  0  0  0  0  0  0  0  0  0
    0.4551    0.7569   -0.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7558   -1.5028   -2.2822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8720   -0.2264   -1.8188 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  CHG  2   8   1   9  -1
M  END
$$$$
COVPDB1294
  Mrv2015 05262115543D          

 25 27  0  0  1  0            999 V2000
   -3.3978    5.6307    1.4085 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7531    4.3195    1.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2146    3.8163    0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3773    2.5780    0.3680 N   0  0  2  0  0  0  0  0  0  0  0  0
    0.0631    2.8841    0.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7101    1.9721    1.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4402    0.4436    1.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2420   -0.1621    0.2417 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2003    0.0989   -0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5515    1.5507   -0.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2653    0.2909   -0.6568 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4949   -0.1721   -1.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8885   -1.1942   -2.3226 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3541    0.4896   -2.7637 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1076    1.6501   -2.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7345    2.2107   -3.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5722    1.1002   -4.7398 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5964    0.0741   -4.1099 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6925   -0.8778   -4.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8097   -2.0972   -4.0168 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5137    0.0337   -4.7719 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1109   -0.0737   -5.3511 S   0  0  1  0  0  0  0  0  0  0  0  0
    6.8039    1.4855   -5.3734 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834   -1.0151   -4.3935 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1074   -0.6602   -6.8415 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  2  0  0  0  0
M  END
$$$$
COVPDB1295
  Mrv2015 05262115493D          

 14 14  0  0  1  0            999 V2000
   -0.0301    0.1156   -3.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5340   -0.2882   -1.8784 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0881    0.4853   -0.8402 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3390    1.6926   -0.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3952    2.1774   -0.8357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    2.4141    0.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5427    1.8828    1.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2472    2.6144    2.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8085    3.8951    2.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6658    4.4429    2.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0385    3.7105    1.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3050   -1.7246   -1.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3464   -2.5853   -1.5179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8553   -2.1756   -1.4659 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
$$$$
COVPDB1296
  Mrv2015 05262115543D          

 32 34  0  0  1  0            999 V2000
    3.2916   -5.7837    2.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4965   -6.1988    2.9933 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1849   -7.3137    2.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6669   -8.0135    1.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4585   -7.6002    0.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7560   -6.4740    1.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4987   -5.9892    0.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7856   -4.7730   -0.3179 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4783   -5.2361   -1.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378   -4.8553   -1.8200 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7306   -3.9132   -0.7834 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3622   -3.4532   -0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8461   -4.0645    0.8706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8964   -2.1032   -0.4302 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5934   -1.9190   -1.8178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0098   -0.4927   -1.9971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1733   -0.0018   -1.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4674    1.3745   -1.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6084    2.2778   -2.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4713    1.8008   -2.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1850    0.4229   -2.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2348   -1.2214   -0.3525 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2810   -0.0081    0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6955    0.4228    0.9142 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    0.7694    0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4003    2.1142    0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4698    2.9818   -0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2441    4.3771   -0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2543    5.3138   -0.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5212    4.8787   -0.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7752    3.5036   -0.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7632    2.5641   -0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
M  END
$$$$
COVPDB1297
  Mrv2015 05262115493D          

 25 27  0  0  0  0            999 V2000
    1.2464    1.5015   -0.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    1.1632   -0.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4890    0.1562    0.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5065   -0.4981    1.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8041   -0.1337    1.1763 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.8356    0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5893    1.1354    0.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6065    0.7504    1.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7760    1.2207    0.6007 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4832    1.8815   -0.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1590    1.8440   -0.7816 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4369    2.4882   -1.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0484    2.9597   -2.4808 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    2.5560   -0.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8484    2.9970   -2.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3006    3.2078   -1.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2800    3.6197   -2.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7079    3.9065   -2.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7220    4.3336   -3.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0851    4.6122   -2.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0567    3.5848   -2.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3608    3.8600   -2.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7116    5.1646   -1.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7524    6.1906   -1.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4481    5.9159   -2.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
M  END
$$$$
COVPDB1298
  Mrv2015 05262115553D          

 24 25  0  0  1  0            999 V2000
   -2.7633   -2.6470   -3.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9517   -1.5011   -2.4488 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2083   -0.6688   -3.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0896   -0.0893   -4.5214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6842    0.6583   -5.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4648    0.8490   -5.8169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6766    1.2523   -6.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6211    2.8031   -6.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6190    3.4309   -7.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5328    4.9014   -7.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0937    5.5404   -8.6320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8637    5.5790   -6.5248 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9166   -1.9763   -1.3486 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9007   -0.8636   -0.4509 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0337   -0.1938    0.0718 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0564    0.9905    0.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0199    0.0930   -0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1983    0.2424   -0.4118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -0.3847   -1.4471 S   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4241   -1.0996   -1.0779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2941    1.0337   -2.1429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2374   -3.2342   -0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5130   -4.3539   -0.8536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1882   -3.3118    0.1867 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 15 19  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
$$$$
COVPDB1299
  Mrv2015 05262115463D          

 16 15  0  0  1  0            999 V2000
    2.0968    3.6827    0.5759 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8100    3.5575   -0.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3272    2.0987   -1.1513 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5188    1.2127   -1.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1673    1.5507    0.0726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8312    2.1084   -2.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6256    0.7847   -2.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3326    0.8332   -3.6409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3920   -0.3251   -3.9547 P   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5268    0.2914   -4.6586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9399   -0.9913   -2.6253 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8020   -1.4558   -4.9178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5152   -2.2581   -4.4249 P   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3127   -3.4181   -5.3022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2496   -1.3087   -4.5090 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6887   -2.7625   -2.9327 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  CHG  3  11  -1  15  -1  16  -1
M  END
$$$$
COVPDB129
  Mrv2015 05262115483D          

  9  8  0  0  1  0            999 V2000
   -4.5432    0.2453   -2.3750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3062   -0.4584   -2.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2785    0.2161   -1.4596 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0728    1.5692   -1.8672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9249   -0.5363   -1.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0057    0.1631   -0.6001 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3527   -0.5787   -0.4662 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.1080   -0.5477    0.8660 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9773   -1.3180   -1.6536 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
$$$$
COVPDB12
  Mrv2015 05262116003D          

  5  4  0  0  0  0            999 V2000
   -1.6880    2.8158   -1.7811 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1189    2.0320   -0.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5145    0.7125   -1.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0504   -0.0965   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2456    0.0361    0.2352 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
$$$$
COVPDB1300
  Mrv2015 05262115463D          

 10  9  0  0  1  0            999 V2000
    3.5459   -4.8882    2.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6155   -3.8659    1.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4778   -2.8263    2.2773 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9512   -4.0897    0.4214 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0233   -3.2594   -0.3018 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8319   -1.7818    0.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3887   -0.8806   -0.8346 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253   -3.3435   -1.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6073   -3.9342   -2.6263 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5180   -2.8760   -2.1190 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
$$$$
COVPDB1301
  Mrv2015 05262116013D          

 32 35  0  0  1  0            999 V2000
    0.8105   -0.1468   -0.5817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2492   -0.0103    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4480    1.1432    0.9819 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6389    2.0080    0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8917    3.2895    1.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0816    4.4216    1.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7012    5.3551    1.9675 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8759    4.8259    2.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9960    3.5875    1.8479 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6364    0.5973    2.3633 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3080    1.5369    3.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5350    0.9558    4.9018 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6804    2.0931    5.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6693    2.8273    6.2191 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5437    3.9405    7.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8632    4.7408    7.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0697    3.7135    7.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1744    2.5242    6.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7924    1.8034    6.5997 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8197    0.5958    5.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4896    0.0317    5.4086 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690   -1.2868    5.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8418   -1.8157    5.2317 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9330   -2.1690    6.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0587   -3.0181    7.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580   -3.9459    8.4209 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4046   -4.9106    9.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8524   -4.8685    9.9366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2518   -5.9084   10.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4096   -7.0146   11.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8459   -7.0644   10.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2508   -6.0174    9.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  5  9  4  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   9
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1302
  Mrv2015 05262116013D          

 11 10  0  0  1  0            999 V2000
   -0.8150    2.1909   -4.4228 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5269    1.0002   -3.9337 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5433    0.9562   -2.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2064    0.9374   -1.8495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1649    0.9105   -0.3012 B   0  5  1  0  0  0  0  0  0  0  0  0
    1.2995    0.9189    0.1493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8577    2.1441    0.2867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8406   -0.3476    0.2564 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9012    0.9846   -4.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3300   -0.0510   -5.2403 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7009    1.9197   -4.2463 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  CHG  1   5  -1
M  END
$$$$
COVPDB1303
  Mrv2015 05262115583D          

 27 26  0  0  1  0            999 V2000
    4.3653   -7.7837    2.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6707   -6.4526    3.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2569   -6.5352    2.9021 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3843   -5.2352    3.2792 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0269   -5.5459    3.0040 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5558   -4.9593    4.7918 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030   -3.8784    2.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034   -2.5706    2.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6713   -1.3668    1.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9499   -0.0315    2.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5025    1.1970    1.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7617    2.5159    1.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2730    3.7401    0.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5002    5.0541    1.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9666    6.2458    0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1853    7.5553    0.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7300    8.5837   -0.2307 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3072    9.8738   -0.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5896   10.2071   -1.0729 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9678   10.7598    0.5220 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8392   12.1891    0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5768   12.8807    1.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8827   14.3696    1.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4366   15.1656    2.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8150   16.6112    2.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2689   17.3907    3.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6682   18.0986    3.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  3  0  0  0  0
M  END
$$$$
COVPDB1304
  Mrv2015 05262115403D          

 44 46  0  0  1  0            999 V2000
    2.4710    1.0606    1.1499 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6825    1.9961    0.1719 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0254    2.2967    0.2128 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9922    3.1435    0.4853 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2615    1.4429   -1.2179 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7536    2.2998   -2.1822 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9106    0.2502   -1.4405 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7834    1.2629   -1.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1821    2.0191   -2.1932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0277    0.1913   -0.7284 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5117   -0.8910   -1.7699 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6611   -1.5538   -2.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3780   -2.0149   -1.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1283    0.8511   -0.0693 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207    0.4302    1.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5027   -0.6275    1.6249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9926    1.2017    1.5306 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0188    1.4716    0.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6540    2.8025    0.8032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5038    3.5232    1.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7005    2.4897    2.1205 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8480    2.7750    3.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6878    3.9844    3.4975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1103    1.8158    4.0825 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3348    1.4812    3.5471 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9595    0.1526    4.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3351    2.6574    3.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9654    0.6941    4.3843 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4954    0.3382    5.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3822   -0.5450    5.5836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1144    0.8886    6.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0407    1.5064    7.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6012    2.1248    8.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2258    2.1835    9.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3365    1.4757    8.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7715    0.8337    7.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8402    2.9507   10.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7542    3.7106   10.8718 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3662    3.0279   11.1977 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3713    3.8123   12.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517    3.5947   13.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7993    3.7949   12.6304 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8911    2.6474   11.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6161    2.4538   10.7366 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 31 36  4  0  0  0  0
 34 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 39 44  1  0  0  0  0
M  END
$$$$
COVPDB1305
  Mrv2015 05262115443D          

  7  6  0  0  0  0            999 V2000
   -2.4984    1.9476    2.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0947    2.1776    2.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6171    2.4277    0.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0393    3.5117    0.3752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7971    1.4511   -0.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0640   -0.1174   -0.1456 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6531    0.4372    0.1284 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
$$$$
COVPDB1306
  Mrv2015 05262115463D          

 33 33  0  0  1  0            999 V2000
   -2.9364    3.8415   -1.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0926    2.7210   -1.7442 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6621    1.4386   -1.4621 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9615    0.4491   -2.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8942    0.6484   -3.5795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2946   -0.9102   -1.8410 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1405   -1.5150   -0.9949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4350   -2.8558   -0.6149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6246   -1.0246   -1.1911 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0387    0.0177    0.1724 S   0  0  2  0  0  0  0  0  0  0  0  0
   -5.4023    1.4802   -0.3743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8463    0.1118    1.2385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5142   -0.6978    0.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9980    0.1991    2.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2438   -0.3170    2.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1962   -1.1106    3.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3826   -1.5544    4.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6304   -1.2156    4.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6916   -0.4540    2.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5055   -0.0128    2.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6971    2.6434   -1.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2505    2.8915   -2.0244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4634    2.2005    0.0323 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7961    1.7916    0.5759 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6770    1.6001    2.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5046    2.9376    2.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2524    2.7437    4.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6024    3.9347    5.1161 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172    4.1642    6.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9581    5.2487    6.9190 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2530    3.3922    7.1801 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1939    0.5150   -0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1346    0.4704   -0.8823 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
  2 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 24 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
$$$$
COVPDB1307
  Mrv2015 05262116133D          

 23 25  0  0  0  0            999 V2000
    8.7229   -3.6532   -1.7943 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5508   -4.7249   -1.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -4.4907   -1.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3294   -3.5281   -1.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7780   -5.2222   -2.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5093   -5.0045   -3.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6487   -4.0492   -2.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0496   -3.3008   -1.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172   -3.8353   -3.2775 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5315   -2.9263   -2.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4419   -2.8493   -3.3938 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8616   -2.1374   -1.6493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1429   -2.3527   -1.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9658   -1.1735   -1.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1671   -0.9898   -1.6069 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3139   -0.4271    0.0039 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4989    0.5063    0.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207    0.1256    1.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3709    1.0505    2.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3888    2.3611    1.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4360    2.7604    0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4564    4.4974   -0.0986 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5205    1.8361    0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  2  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 21 23  4  0  0  0  0
 17 23  4  0  0  0  0
M  END
$$$$
COVPDB1308
  Mrv2015 05262116093D          

  9  8  0  0  0  0            999 V2000
   -2.5741   -3.0724    1.1451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5759   -2.6461   -0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3603   -3.2239   -0.9283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7723   -1.6184   -0.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7739   -1.0508    0.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0245   -0.0070   -0.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1923    0.5184   -1.4769 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1420    0.5049    0.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1188    1.9628   -0.3422 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
$$$$
COVPDB1309
  Mrv2015 05262115573D          

 13 13  0  0  0  0            999 V2000
   -0.5380    3.2597   -3.8375 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2716    2.6821   -2.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4774    3.0186   -2.8947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2152    1.7072   -2.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5468    1.2448   -2.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9588    0.2426   -1.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1420   -0.1673   -1.2125 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0528   -0.3036   -0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4563   -1.2872    0.6103 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2716    0.1845   -0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2892   -0.3245    0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8832   -2.0701    0.1718 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.6282    1.1636   -1.0895 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  2  0  0  0  0
  6  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  4  0  0  0  0
  4 13  4  0  0  0  0
M  END
$$$$
COVPDB130
  Mrv2015 05262116123D          

 11 11  0  0  1  0            999 V2000
    4.8094   -1.8007    3.7525 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0430   -2.4141    2.7140 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9863   -2.8140    1.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1861   -3.2753    0.2994 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6250   -4.5749    0.4917 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1569   -2.3237   -0.0553 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910   -2.0471    0.9892 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9154   -1.4541    2.2381 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4766   -0.1724    1.9412 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0845   -1.1146    0.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4350   -1.6996   -0.7004 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$
COVPDB1310
  Mrv2015 05262115463D          

  9  8  0  0  0  0            999 V2000
    0.6566   -3.1089    2.0939 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8109   -1.9966    1.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0098   -0.8497    1.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5864    0.2430    1.9142 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4453   -0.9613    1.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2787   -1.2473    0.6834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7063   -1.4220    1.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2185   -2.6698    1.1023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4486   -0.4335    1.2008 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
$$$$
COVPDB1311
  Mrv2015 05262115423D          

 11 10  0  0  0  0            999 V2000
   -0.4234   -1.8573   -4.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0889   -0.8592   -3.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1128   -0.7231   -2.8459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1057    0.0537   -2.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9295   -0.6001   -1.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1560   -0.7648   -1.7612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3619   -1.0460   -0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2610    0.1017    0.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6129   -0.3378    2.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3039   -0.3701    3.2002 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5928   -0.6739    2.0457 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
$$$$
COVPDB1312
  Mrv2015 05262115593D          

 32 31  0  0  1  0            999 V2000
   -4.2964   -3.0958   -8.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8103   -3.2715   -8.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6321   -3.6821   -6.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1470   -3.8801   -6.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9778   -4.0857   -4.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4979   -4.3203   -4.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6778   -4.2694   -2.7708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1380   -5.1342   -2.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4608   -3.2851   -2.2389 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7966   -3.0824   -0.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0080   -2.1182   -0.7491 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6503   -0.6470   -1.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7912   -0.1425   -0.0413 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0436    1.2573   -0.2454 P   0  0  1  0  0  0  0  0  0  0  0  0
    0.6080    1.4546   -1.7557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1745    1.2248    0.5802 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9198    2.4948    0.2686 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9820    2.9725   -0.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4413    4.3611   -0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6138    5.0485   -0.7295 N   0  3  2  0  0  0  0  0  0  0  0  0
    5.9085    4.3219   -0.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7349    6.4567   -0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4061    5.1446   -2.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9865   -2.6505   -1.6600 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2123   -3.1781   -1.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8084   -2.9219   -0.3053 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7911   -4.1272   -2.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2173   -3.4687   -3.6858 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5163   -4.5254   -4.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1258   -3.8988   -6.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2648   -4.9472   -7.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0894   -4.4193   -8.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 11 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  CHG  1  20   1
M  END
$$$$
COVPDB1313
  Mrv2015 05262115453D          

 27 28  0  0  1  0            999 V2000
   -1.7340    1.7176    3.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1915    2.0386    2.4960 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9418    3.3959    2.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0683    0.9855    2.0631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7055    0.7297    0.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1981    1.0406    0.6657 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0513    2.0994    1.6158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2699   -0.1536    1.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9440   -0.1178    0.2511 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9459   -1.3651    0.4111 P   0  0  2  0  0  0  0  0  0  0  0  0
    1.8127   -1.9894    1.7360 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5553   -0.7895    0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8304   -0.0648   -1.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3258    0.3373   -1.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6404    1.0890   -2.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0534    1.4150   -2.7046 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9718    0.5561   -3.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514   -2.4603   -0.7284 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3455   -2.8716   -0.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5468   -2.2734   -1.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9135   -2.6050   -1.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4315   -3.5530   -0.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7509   -3.8196   -0.6547 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.2388   -4.6761    0.1493 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.5465   -3.2696   -1.3109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5029   -4.2035    0.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1338   -3.8746    0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 22 26  4  0  0  0  0
 26 27  4  0  0  0  0
 19 27  4  0  0  0  0
M  CHG  2  23   1  24  -1
M  END
$$$$
COVPDB1314
  Mrv2015 05262115463D          

 29 28  0  0  1  0            999 V2000
    3.2688   -2.5865   -0.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7229   -2.4549   -0.8218 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0311   -3.7052   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143   -1.1258   -0.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2203   -1.0549   -0.1240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9546    0.0291    0.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3961    1.1309    0.4851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3016   -0.1234    0.3819 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2301    0.8884    0.8070 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1993    1.1190    2.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9587    1.6863    2.7537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6065    0.5005    0.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2969    1.2893   -0.2785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1236   -0.6726    0.8750 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5050   -1.0460    0.8727 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.9291   -1.8170   -0.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7796   -1.7351    2.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5425   -1.1652    2.9847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2822   -2.9224    2.6327 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4901   -3.9062    1.9591 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3681   -4.4930    2.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0636   -3.6451    2.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8831   -4.3792    3.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6790   -3.6068    3.5170 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3111   -3.5640    4.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3149   -2.7459    4.1955 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3614   -4.2743    5.4705 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4346   -4.9757    1.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5725   -5.3080    0.3638 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 20 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
$$$$
COVPDB1315
  Mrv2015 05262115463D          

 43 46  0  0  1  0            999 V2000
    1.7076   -6.7769    5.2539 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5785   -6.4266    4.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3187   -7.3409    3.8319 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6455   -5.1469    3.9732 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5885   -4.5971    3.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4332   -3.0600    2.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4334   -2.4685    1.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3674   -0.8813    1.7320 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0804   -0.4885    1.2223 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6032    0.7903    1.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2922    1.7542    1.5587 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2530    1.0294    0.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9109    2.4444    0.4097 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0055    3.0493    1.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1059    2.7450    2.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7783    3.2802    3.6269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7888    4.1538    3.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8944    4.5053    1.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    3.9801    0.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1383    4.4548   -0.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1049    4.7266   -1.1666 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2469    4.5986   -0.8578 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0555    5.1554   -1.9651 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1261    6.9170   -2.0177 S   0  0  1  0  0  0  0  0  0  0  0  0
    0.6482    7.5184   -2.1627 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7998    7.4588   -0.6680 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1488    7.4298   -3.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0817    6.4508   -4.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8614    6.2166   -5.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7987    5.3047   -6.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9537    4.6147   -6.7228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1690    4.8239   -6.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2325    5.7325   -4.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5177    3.1582   -0.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154    2.5868   -1.4114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3837    4.6947   -1.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4117    3.7215   -0.9681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6810    3.9697   -1.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9442    5.1880   -2.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9325    6.1594   -2.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6656    5.9184   -1.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3979   -0.4624    0.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3222    0.3217    1.0643 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
 22 34  1  0  0  0  0
 13 34  1  0  0  0  0
 34 35  2  0  0  0  0
 20 36  1  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 36 41  4  0  0  0  0
  8 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  END
$$$$
COVPDB1316
  Mrv2015 05262115573D          

 15 16  0  0  1  0            999 V2000
   -3.5678    2.0140   -0.8067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1919    0.9328   -0.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5179   -0.3394   -0.5864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6280   -0.8530    0.4191 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3446   -1.5767   -0.0689 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4986   -2.2633   -1.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3635   -0.4839   -0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8321   -0.6105   -0.4186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8736    0.6818    0.3504 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2321    0.6152    0.7533 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5657    1.1048    2.1991 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6343    0.5189    3.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6183    2.6608    2.3965 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1266    3.0266    3.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2787    3.3933    2.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
  2 10  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
$$$$
COVPDB1317
  Mrv2015 05262116073D          

 22 23  0  0  1  0            999 V2000
    3.2193   -2.4480    2.5805 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9532   -2.2136    1.7520 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -2.3780    2.4444 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0153   -1.8364    0.1419 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9326   -0.4131   -0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7902    0.3296    0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3284   -0.2097    0.2812 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590    1.8019    0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2824    2.2508   -1.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826    2.5481   -1.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    2.9554   -3.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4998    3.0028   -3.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2291    2.5043   -2.6815 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2501   -2.3890   -0.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1735   -3.3936   -1.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3393   -3.9722   -2.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6023   -3.5560   -1.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7225   -2.5384   -0.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5337   -1.9487   -0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9968   -2.1295   -0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1482   -2.6654   -0.5777 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1247   -1.2602    0.7853 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  9 13  4  0  0  0  0
  4 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
$$$$
COVPDB1318
  Mrv2015 05262115473D          

 19 20  0  0  1  0            999 V2000
    4.5557   -1.9485   -0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7217   -2.5488   -0.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6255   -3.5613   -1.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3618   -3.9722   -2.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1955   -3.3887   -1.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2707   -2.3829   -0.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0333   -1.8286    0.1383 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9737   -2.2205    1.7464 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.6188   -2.3647    2.4413 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2419   -2.4320    2.5828 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9497   -0.4050   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8019    0.3299    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3123   -0.2250    0.2667 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    1.8038    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2817    2.2485   -1.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5842    2.5413   -1.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6956    2.9529   -3.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4953    3.0055   -3.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2272    2.5032   -2.6801 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 15 19  4  0  0  0  0
M  END
$$$$
COVPDB1319
  Mrv2015 05262115493D          

 24 25  0  0  1  0            999 V2000
    3.0370   -2.5530    2.5776 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7911   -2.2997    1.7220 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.4147   -2.5095    2.3555 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9106   -1.8801    0.1266 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8529   -0.4576   -0.0235 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7396    0.3181    0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3901   -0.1851    0.3112 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8666    1.7877    0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2896    2.2172   -1.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5849    2.5565   -1.7345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020    2.9680   -3.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5072    2.9732   -3.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2452    2.4236   -2.7143 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1757   -2.4098   -0.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1490   -3.4238   -1.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3429   -3.9426   -1.9678 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5808   -3.4576   -1.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6606   -2.4390   -0.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9309   -2.0198   -0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2113   -1.1407    0.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4952   -0.8053    1.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6010   -1.3708    0.7422 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    0.0414    2.1885 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4355   -1.9181   -0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  9 13  4  0  0  0  0
  4 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 18 24  4  0  0  0  0
 14 24  4  0  0  0  0
M  END
$$$$
COVPDB131
  Mrv2015 05262115583D          

 29 31  0  0  1  0            999 V2000
   -0.9460    1.0386   -5.3827 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5123   -0.3862   -6.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1989   -0.5776   -7.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6358   -1.7293   -8.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3871   -2.7016   -7.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6972   -2.5218   -6.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2636   -1.3681   -5.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6360   -1.1865   -3.6855 S   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2382   -1.0421   -2.9080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4425    0.1818   -3.4572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5552   -2.5804   -3.0604 N   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0157   -3.2003   -1.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8168   -2.5635   -0.6687 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2678   -1.2284   -0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9879   -0.2010   -0.2451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9502   -1.1389    0.0541 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2549    0.0617    0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0864   -0.1787    0.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113   -0.3924    0.2053 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2595   -2.5602   -1.2745 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0058   -2.3537   -2.8008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0970   -3.7813   -1.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4792   -4.8189   -0.6665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4888   -3.8244   -1.1274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2970   -2.6829   -1.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3696   -3.0784   -2.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1360   -4.2101   -2.1303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3174   -5.3608   -1.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2342   -5.0292   -0.7876 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  3  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 11 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
$$$$
COVPDB1320
  Mrv2015 05262115433D          

 12 13  0  0  0  0            999 V2000
    1.2854   -0.3847   -0.0358 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4158   -0.1636    0.9811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9035   -0.6561    0.9084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8383    0.5504    2.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0491    0.7695    3.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3700    0.2768    3.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7988   -0.4401    1.9764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2904    0.4755    4.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6007   -0.0243    4.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9854   -0.7297    2.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0821   -0.9147    1.9256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1445   -1.1885    2.8237 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  2  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  3  7  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
 10 12  2  0  0  0  0
M  END
$$$$
COVPDB1321
  Mrv2015 05262115403D          

 12 13  0  0  0  0            999 V2000
   -2.6315   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0844   -1.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7215   -1.1730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0356    0.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143   -0.0011   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7164    1.1757   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0763    1.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8194   -0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7579    2.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1652    2.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8994    1.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2315    0.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  2  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   6
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1322
  Mrv2015 05262116003D          

  9  9  0  0  1  0            999 V2000
   -3.7117   -0.0240   -1.1706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4798   -0.9310   -0.4119 S   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9000   -0.9458    1.1316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0430    0.0930   -0.5135 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7005    0.4002   -1.9334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6046    1.2306   -2.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6790    0.5656   -1.3137 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3814    0.3217    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0906   -0.5203    0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
$$$$
COVPDB1323
  Mrv2015 05262115493D          

 27 29  0  0  0  0            999 V2000
   -3.4925   -4.7320   -5.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8414   -3.8297   -6.3067 N   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6447   -3.7236   -7.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3879   -4.1171   -6.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5732   -3.9587   -5.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3709   -2.7592   -4.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2741   -2.5312   -3.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983   -1.3427   -3.3407 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5066   -3.5220   -2.6547 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8092   -3.3682   -1.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5425   -4.3745   -0.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7973   -4.2850    0.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3209   -3.1844    1.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5509   -3.1194    2.7934 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1081   -2.0781    3.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4339   -1.0674    2.9341 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1564   -1.0442    1.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5078   -0.0052    0.9940 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9325    1.2176    1.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4093    2.0988    0.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8541    3.3944    0.7565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8332    3.8284    2.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3812    2.9627    3.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3684    3.5162    4.8791 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9353    1.6690    2.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5924   -2.1469    0.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3319   -2.2734   -0.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 23 25  4  0  0  0  0
 19 25  4  0  0  0  0
 17 26  4  0  0  0  0
 13 26  4  0  0  0  0
 26 27  4  0  0  0  0
 10 27  4  0  0  0  0
M  END
$$$$
COVPDB1324
  Mrv2015 05262115543D          

 21 22  0  0  1  0            999 V2000
   -2.7592   -2.5615   -3.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9561   -1.4216   -2.4598 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9085   -1.9196   -1.3861 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9039   -0.8418   -0.4415 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0429   -0.1995    0.1029 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0776    0.9852    0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0304    0.1106   -0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1902    0.2776   -0.3336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0567   -0.3594   -1.4151 S   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4257   -1.1108   -1.0555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3469    1.0712   -2.0733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2200   -3.2024   -0.7046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4525   -4.2937   -0.9249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2014   -3.3261    0.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2854   -0.5419   -3.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6570    0.4789   -3.0999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3225   -0.8194   -4.8162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7543   -0.0023   -5.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9795   -0.6237   -7.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3199   -1.7415   -7.5095 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7839   -0.1194   -7.9765 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  5  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  2 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
$$$$
COVPDB1325
  Mrv2015 05262115553D          

 19 20  0  0  1  0            999 V2000
    2.2337    1.3502   -0.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1774    0.4217   -1.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3105   -0.1512   -2.4192 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0839    0.2184   -0.5317 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0687   -0.5618   -0.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9061   -0.8911    0.3994 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1959   -2.0695    1.3173 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594   -3.0303    0.7221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5956   -2.2253    2.7870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3423   -1.2345    0.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5745   -2.3746   -0.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8640   -2.7342   -1.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9636   -1.9602   -0.7478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4768   -0.4808    0.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7853   -0.8403    0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3970    0.6242    1.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5283    1.3687    1.8223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7884    1.0217    1.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9190   -0.0828    0.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 10 14  4  0  0  0  0
 14 15  4  0  0  0  0
 13 15  4  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 15 19  4  0  0  0  0
M  END
$$$$
COVPDB1326
  Mrv2015 05262115463D          

 12 11  0  0  1  0            999 V2000
   -3.0690   -1.2342    4.9935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5861   -1.3176    3.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3493   -0.4047    3.4516 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3588   -0.7754    4.4097 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7530   -0.4827    2.0112 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7674   -0.2025    1.0421 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4055    0.5235    1.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6565    0.2695    2.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9947    1.0984    3.3776 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4967   -0.8433    2.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5548   -1.0880    3.0877 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3055   -1.6351    1.3259 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
$$$$
COVPDB1327
  Mrv2015 05262115573D          

  7  6  0  0  0  0            999 V2000
   -2.8557   -0.1388   -1.8171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5244   -0.1668   -1.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7579   -0.6094   -2.4588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9927    0.2835   -0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5895   -0.9237    0.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1455   -0.5057    1.9537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0187   -0.7310    2.3530 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
$$$$
COVPDB1328
  Mrv2015 05262115553D          

 22 24  0  0  0  0            999 V2000
   -6.4818   -1.8579   -1.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7387   -1.6907   -0.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9167   -0.7275    0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1137   -0.5962    0.6813 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8343    0.0834    0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5591   -0.0922   -0.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3623   -1.0859   -1.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4566    0.6965    0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5446    1.6104    1.1161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2306    0.4557   -0.2746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9984   -0.5087   -1.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0690   -1.2852   -1.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7420   -2.4285   -2.9123 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7147   -0.6750   -1.6341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9893   -1.6420   -0.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4101   -1.8549   -1.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3189   -2.3507   -2.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2678   -1.4424   -3.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1506   -1.9109   -5.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0887   -3.2930   -5.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1370   -4.2064   -4.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2493   -3.7383   -3.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  1  7  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  2  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
M  END
$$$$
COVPDB1329
  Mrv2015 05262115513D          

 32 35  0  0  1  0            999 V2000
   -5.5759    4.4874    2.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2012    4.0218    2.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2897    5.1380    2.0852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7247    4.8204    1.9165 P   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0144    6.1068    1.8293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3976    3.8782    0.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1263    3.6516    0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4149    2.8084   -0.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8558    2.4643   -1.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7495    3.3288   -1.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1110    2.9916   -1.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5597    1.7519   -1.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7216    0.9213   -0.6426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3606    1.2738   -0.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2491   -0.3201   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705   -0.4530    0.0175 S   0  3  2  0  0  0  0  0  0  0  0  0
    6.5402    1.0141   -1.9819 Pd  0  0  2  0  0  0  0  0  0  0  0  0
    6.8052    3.4585   -2.5280 S   0  3  1  0  0  0  0  0  0  0  0  0
    5.0415    3.9217   -2.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4920    4.1691   -1.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7172   -0.4106   -3.8902 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.5493   -2.1247   -0.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2167    3.9940    3.1934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2390    4.7085    4.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3431    4.6126    5.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3653    5.3432    6.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2798    6.1755    6.8075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661    6.2413    5.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1413    5.5132    4.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2986    6.8717    7.9608 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.2057    6.8558    8.6988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3280    7.6026    8.3388 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 11 19  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 16 22  1  0  0  0  0
  4 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
 27 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  CHG  4  16   1  18   1  30   1  32  -1
M  END
$$$$
COVPDB132
  Mrv2015 05262115583D          

 28 30  0  0  1  0            999 V2000
    0.8009   -0.7088   -0.3412 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3120   -0.4383   -0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320   -0.1077   -0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3033   -0.4998   -1.3608 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5838   -0.1605   -1.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2938    0.4675   -0.8496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1435   -0.4858   -3.0156 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2442   -1.9972   -3.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4025   -2.2594   -4.5390 N   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9864   -3.5539   -5.6042 S   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2208   -3.0118   -6.4743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7926   -3.9560   -6.5972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4692   -4.9579   -4.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8292   -5.3140   -4.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1986   -6.4276   -3.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2107   -7.1883   -3.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8544   -6.8322   -3.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4834   -5.7222   -3.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1358   -0.9896   -5.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3222    0.1244   -4.1900 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8730    1.4200   -4.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1265    2.4052   -4.4752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0960    1.6285   -5.3386 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0923    0.6002   -5.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4349    0.9881   -4.9354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8369    2.3202   -5.3189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8302    3.3241   -5.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5025    2.9576   -5.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 28  1  0  0  0  0
M  END
$$$$
COVPDB1330
  Mrv2015 05262115403D          

 35 36  0  0  1  0            999 V2000
   -3.8939   -2.2559   -1.1681 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5126   -0.3690   -1.0138 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0601    0.4640   -0.2178 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2600   -0.1013   -0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9352   -0.5931   -0.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3211   -0.3646    0.0997 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5996   -1.2343   -0.4830 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.5495   -1.9348    0.4933 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7521   -1.4994   -1.9846 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6560    1.0314    0.1761 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727    1.6448    1.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6729    0.9732    2.2126 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    3.1218    1.2821 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0515    3.8043    1.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2664    5.1434    0.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2903    4.7806   -0.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1192    3.7588    0.1726 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4283    3.5557   -0.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8161    4.2200   -1.2671 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4775    2.6515    0.3015 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4570    2.7166    1.7363 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2666    3.3698    2.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7945    3.2521    3.8040 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5348    4.1488    2.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7032    3.8224    3.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0852    4.2913    2.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1786    3.9219    3.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8577    2.8886    3.4216 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3929    1.1584   -0.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3840    0.8716   -1.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4560    0.1760   -2.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4116   -0.1740   -3.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3026    0.1863   -4.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2335    0.8859   -3.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2740    1.2204   -2.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 20 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 30 35  4  0  0  0  0
M  END
$$$$
COVPDB1331
  Mrv2015 05262116043D          

 18 19  0  0  0  0            999 V2000
    1.7323    0.3398   -0.2157 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0247   -0.0833   -0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9363    1.0289   -0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4495    2.1161   -0.7078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3135    0.9245   -0.0999 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9109   -0.3026    0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3887   -0.5330   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1839    0.7094    0.1629 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6176    1.8050   -0.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1613    2.1024   -0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9072    0.4356   -0.1628 S   0  0  2  0  0  0  0  0  0  0  0  0
   -7.4414   -0.7365    0.7945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1012   -0.0193   -1.6894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8221    1.9082    0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9568    2.3608   -0.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4639    3.5981   -0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7611    4.1920    0.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4589    3.0987    1.3997 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 14 18  4  0  0  0  0
M  END
$$$$
COVPDB1332
  Mrv2015 05262116043D          

 20 21  0  0  0  0            999 V2000
   -7.6826   -0.6193    1.4720 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9750    0.3742    0.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3175    0.6796    0.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6228    1.7517   -0.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5870    2.5203   -1.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2378    2.2222   -0.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9418    1.1430    0.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9286    3.1908   -1.4551 S   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0946    4.7222   -1.0074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0162    3.1242   -3.0562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3757    2.5394   -0.8948 N   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5743    1.8155   -1.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4916    0.9574   -1.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7547    1.6346   -0.1492 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4846    2.5723    0.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5531    3.4201   -0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4352    1.2912    0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1450    1.8625    1.1170 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.2506   -0.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9301   -0.1362    0.1243 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$
COVPDB1333
  Mrv2015 05262118523D          

 34 35  0  0  1  0            999 V2000
   -5.4384   -7.7991   -4.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0195   -8.1193   -2.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7093   -6.9015   -1.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4294   -6.6077   -0.8662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6565   -6.1215   -2.2316 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2524   -4.8967   -1.6058 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9400   -3.6674   -2.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4172   -3.6576   -2.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9717   -3.2577   -0.8411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3636   -3.2841   -0.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2203   -3.7141   -1.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6841   -4.1058   -2.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2927   -4.0708   -3.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7643   -4.8063   -1.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2948   -4.7000   -2.8434 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8814   -4.8669   -0.6042 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5380   -4.9497   -0.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069   -5.0442    0.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007   -5.2633    1.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2673   -4.9711    0.7864 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0993   -3.8456    1.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2252   -4.1298    1.8030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7995   -2.5212    1.4481 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5883   -1.8379    1.1280 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8765   -0.4020    0.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6661   -0.3380   -0.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7924    1.1129   -1.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7941    1.2080   -2.7847 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7674    2.8793   -3.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5639    3.7285   -2.6045 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9698    3.2966   -4.1139 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2992   -1.7379    2.5189 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.7684   -2.1663    2.5370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3819   -1.3462    3.8347 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  6 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
$$$$
COVPDB1334
  Mrv2015 05262116043D          

 18 19  0  0  0  0            999 V2000
   -7.2475    1.0451   -5.9762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2290    1.1975   -4.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1620    0.4893   -3.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1527    0.6170   -2.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2201    1.4633   -1.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2895    2.2016   -2.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3259    3.1218   -1.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3030    2.3866   -0.9772 N   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3262    1.6063   -1.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4410    0.7282   -0.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7808    1.5251    0.1418 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6655    2.3803    0.9218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5849    3.2433    0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4065    1.4723    0.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1048    2.2196    1.2466 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5186    0.5514   -0.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2070    0.5873    0.1763 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.2980    2.0469   -3.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6 18  4  0  0  0  0
  2 18  4  0  0  0  0
M  END
$$$$
COVPDB1335
  Mrv2015 05262116043D          

 19 20  0  0  0  0            999 V2000
   -6.9714    5.4799    0.1840 O   0  5  0  0  0  0  0  0  0  0  0  0
   -6.3625    4.5904   -0.4927 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.5242    4.9745   -1.2109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6835    3.2918   -0.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0512    2.9411   -0.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4557    1.5973   -0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4982    0.5737   -0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1382    0.8947   -0.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7144    2.2422   -0.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3642    2.4833   -0.5835 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6209    2.0514   -1.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4637    1.1107   -1.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7267    1.5360   -0.1272 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4476    2.2455    0.9252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6128    3.1469    0.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4054    1.1343    0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1822    1.4890    1.1408 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3748    0.2848   -0.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9812   -0.1904   -0.3015 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
$$$$
COVPDB1336
  Mrv2015 05262116043D          

 19 21  0  0  1  0            999 V2000
    1.7317    0.3415   -0.2250 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0263   -0.0938   -0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9430    1.0092   -0.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4589    2.0974   -0.7219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3197    0.9042   -0.1012 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9268   -0.3215    0.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3494   -0.6163   -0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2718    0.6184   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6179    1.8404   -0.7272 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1698    2.0848   -0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4791    3.0351   -0.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8266    3.5160   -1.5849 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4011    3.9447    0.4412 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3109    4.9522    0.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2368    4.9289   -0.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3788    5.9888    1.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3765    6.9780    1.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3022    6.9335    0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2398    5.9004   -0.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 12 15  4  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 15 19  4  0  0  0  0
M  END
$$$$
COVPDB1337
  Mrv2015 05262116053D          

 15 16  0  0  0  0            999 V2000
   -2.1793   -3.6143    1.6407 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -1.9687    1.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9636   -1.0032    1.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3420   -0.0920    1.7040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9323   -1.0932   -0.2576 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1489   -0.2455   -1.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5956   -0.3246   -2.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0887   -1.3298   -3.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5195    0.6195   -3.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9048    0.5883   -4.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3678   -0.4049   -5.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4804   -1.3454   -4.7299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6044   -0.5837   -6.5439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7914   -1.7384   -6.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0715   -2.2075   -5.6783 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
$$$$
COVPDB1338
  Mrv2015 05262116053D          

 21 22  0  0  0  0            999 V2000
   -5.7592    0.7511    0.4749 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9685    1.1088    0.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0252    0.3581    0.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3562    0.6807    0.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6345    1.7552   -0.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5827    2.5108   -1.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8930    3.4999   -1.8273 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2341    2.1981   -0.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9257    3.1758   -1.4414 S   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0973    4.7077   -0.9945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0234    3.1168   -3.0423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3474    2.5623   -0.9170 N   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5450    1.8384   -1.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4792    0.9677   -1.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7407    1.6419   -0.1565 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4725    2.5810    0.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5264    3.4423   -0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4224    1.2979    0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1548    1.8620    1.1192 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3602    0.2545   -0.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9399   -0.1375    0.1226 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$
COVPDB1339
  Mrv2015 05262116053D          

 17 18  0  0  1  0            999 V2000
   -6.7108   -2.9792   -3.8542 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9619   -2.2826   -3.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4263   -1.0581   -2.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6228   -0.3097   -1.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3414   -0.7727   -1.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8834   -2.0012   -1.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6868   -2.7511   -2.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4782   -0.0039   -0.3115 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4426    0.8852   -1.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6396    1.5993   -0.0822 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4036    2.4518    0.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4910    1.5978    1.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2683    0.8378    0.5674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2608    1.4407    0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3802    2.2096    0.8048 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5141    0.3800   -0.6517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1383    0.0957   -0.0207 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
$$$$
COVPDB133
  Mrv2015 05262115583D          

 33 37  0  0  0  0            999 V2000
    0.7731   -1.3690    6.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6818   -0.7978    5.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6543    0.1189    4.7452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5298    0.6494    3.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2829    1.6040    2.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7294    1.7451    1.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1942    2.7052    0.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1216    3.6353    0.8516 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7780    2.7888   -0.6468 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798    0.8646    1.3701 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690    0.5908    0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0123   -0.8039   -0.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9971   -1.7796   -0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7996   -3.1284   -0.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7612   -4.1343   -0.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5177   -5.4633   -0.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3110   -5.7986   -1.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6549   -4.8057   -1.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4178   -3.4753   -1.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3470   -2.5163   -1.3334 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1887   -1.2223   -0.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4636   -0.1971   -1.3847 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5158    0.2543    2.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4768   -0.6313    3.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3974   -1.1475    4.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3447   -1.9562    4.7653 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3554    2.3114    3.3677 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6837    2.1495    2.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7370    2.8400    3.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4455    3.6902    4.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1638    3.8475    5.0340 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1266    3.1956    4.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9800    3.4141    4.9079 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  6 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 12 21  4  0  0  0  0
 21 22  1  0  0  0  0
 10 23  4  0  0  0  0
  4 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
  2 25  4  0  0  0  0
 25 26  1  0  0  0  0
  5 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
 32 33  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  31
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1340
  Mrv2015 05262116053D          

 20 21  0  0  0  0            999 V2000
   -8.9346    3.5112   -1.8388 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6013    2.5265   -1.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6289    1.7492   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3121    0.6801    0.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9684    0.3839    0.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9435    1.1567    0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2456    2.2359   -0.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9223    3.1949   -1.4594 S   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0803    4.7276   -1.0124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0011    3.1277   -3.0600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3756    2.5353   -0.8906 N   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5753    1.8113   -1.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4889    0.9557   -1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7520    1.6347   -0.1472 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4824    2.5699    0.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5541    3.4153   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4341    1.2895    0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1471    1.8605    1.1184 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3501    0.2491   -0.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9295   -0.1399    0.1241 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$
COVPDB1341
  Mrv2015 05262115403D          

 42 45  0  0  1  0            999 V2000
    0.7524   -0.6871   -1.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5807   -0.6240   -0.6483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7296    0.3100    0.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1376    0.2033    1.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2869    1.1583    2.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    1.2225    3.0015 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8528    2.0503    4.1719 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2358    3.1996    4.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7037    3.7788    5.5782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1110    3.7790    3.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1991    4.7838    3.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9256    4.9553    2.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1058    4.0589    3.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8139    3.3905    4.1179 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3220    2.4813    5.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0206    2.2279    6.0547 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9882    1.7663    4.9292 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8154    0.4241    5.4438 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238   -0.7597    4.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6955   -0.7356    3.7301 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -1.9525    5.6059 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9188   -3.1289    5.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8851   -3.5904    6.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1802   -3.7697    7.5380 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4646   -2.5933    7.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4823   -2.1121    6.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1474    2.4314    5.7605 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3703    3.9007    5.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1404    4.3888    4.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3339    5.7681    4.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7533    6.6983    5.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9704    6.2481    6.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7820    4.8689    6.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4212    1.6209    5.7128 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0507    1.2001    6.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2010    0.3907    6.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7505   -0.0127    5.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1474    0.3880    4.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9970    1.1959    4.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1400   -0.2794    3.5026 B   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4480   -0.9098    4.7131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1702   -1.0952    2.7165 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 17 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
 27 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 34 39  4  0  0  0  0
  6 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
$$$$
COVPDB1342
  Mrv2015 05262116053D          

 18 19  0  0  0  0            999 V2000
    0.7129   -0.7362   -1.1625 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4507    0.3282    0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4549    1.4830   -0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    1.5662   -1.1543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7013    2.4734    0.9301 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1391    2.4505    2.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172    2.7018    3.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9484    3.9746    3.0670 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9102    4.3806    4.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2430    4.8462    5.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4174    5.9945    5.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8429    6.4855    6.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655    5.8236    7.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8675    4.6662    7.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1541    3.8626    9.2711 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4485    4.1839    6.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5760    3.9240    1.7105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5102    3.6423    0.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 14 16  4  0  0  0  0
 10 16  4  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
  5 18  1  0  0  0  0
M  END
$$$$
COVPDB1343
  Mrv2015 05262116053D          

 21 22  0  0  0  0            999 V2000
    1.7775    0.3488   -0.2344 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0708   -0.0801   -0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8983    1.0280   -0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4191    2.1175   -0.7063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2733    0.9184   -0.0864 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8644   -0.3049    0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3354   -0.5500    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1490    0.6847    0.1704 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5802    1.7733   -0.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1308    2.0873   -0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8650    0.3790   -0.1800 S   0  0  2  0  0  0  0  0  0  0  0  0
   -7.3890   -0.7652    0.8166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9740   -0.1702   -1.6835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8544    1.8398    0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4566    2.7335    1.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1517    3.9324    1.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2800    4.2418    0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7180    3.3477   -0.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0167    2.1419   -0.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4802    1.3478   -1.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8907    0.6533   -2.4435 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  3  0  0  0  0
M  END
$$$$
COVPDB1344
  Mrv2015 05262116053D          

 19 20  0  0  0  0            999 V2000
   -1.7980   -6.1285    2.1655 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4734   -6.5149    0.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1470   -5.5533   -0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0699   -5.9794   -1.1452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7365   -4.2508   -0.3920 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034   -3.1436   -1.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2046   -3.1474   -2.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6405   -1.9433   -2.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1118   -0.7231   -2.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1008   -0.6400   -1.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6331   -1.8986   -0.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6510    0.6846   -0.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4364    1.6137   -1.0674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5022    1.1324   -0.0618 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3705    0.3287    0.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6367   -0.0576   -0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5501    1.4615   -0.4644 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2300    2.5381   -1.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0233    2.5132   -0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
$$$$
COVPDB1345
  Mrv2015 05262116053D          

 17 18  0  0  1  0            999 V2000
   -2.5356    1.1468    3.5097 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4879   -0.4225    2.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8394   -0.3522    1.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5212   -0.6555    0.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192   -0.0133    1.2723 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2220   -0.0884    0.0433 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5455    0.7180    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4331   -1.5393   -0.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145   -2.3170    0.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4432   -3.6825    0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8920   -4.3190   -0.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1022   -3.5943   -1.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1368   -2.1947   -1.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4571   -4.2801   -2.7649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2683   -3.6041   -3.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5194   -2.2366   -3.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9575   -1.5454   -2.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 12 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
M  END
$$$$
COVPDB1346
  Mrv2015 05262116053D          

 21 23  0  0  0  0            999 V2000
    1.5965    0.5568   -0.9045 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0038    0.1447   -0.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0394    1.2071   -0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7078    2.2617   -0.9896 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3211    1.0899    0.1412 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8090   -0.1150    0.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1335   -0.5907    0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1395    0.5186    0.1172 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6065    1.7393   -0.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2755    2.1871    0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4929    0.1197   -0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1899   -0.7927    0.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4196   -2.1309    0.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0684   -3.0440    1.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5203   -2.6319    2.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3212   -1.3017    2.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6304   -0.3718    1.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8072   -0.8973    3.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5769    0.4046    4.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8716    1.3190    3.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4161    0.9413    2.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 17 21  4  0  0  0  0
M  END
$$$$
COVPDB1347
  Mrv2015 05262116053D          

 19 20  0  0  0  0            999 V2000
   -0.9949   -2.4005    1.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6185   -3.2155    0.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8598   -4.2490    0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3861   -5.0237   -0.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6892   -4.7856   -1.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4653   -3.7781   -0.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9528   -2.9838    0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8258   -1.9213    0.8876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2982   -0.5293    0.6925 N   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9433    0.5114    1.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8951    1.4899    2.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2129    2.4180    1.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5888    1.6426    0.0668 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4587    1.2302   -1.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1384   -0.1420   -0.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2568    1.2383    0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4191    1.5890    1.1617 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4251    0.3872   -0.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0736   -0.0988   -0.4488 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
$$$$
COVPDB1348
  Mrv2015 05262116023D          

 45 49  0  0  0  0            999 V2000
    9.9474   -4.4666   -5.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8964   -3.2739   -4.1719 N   0  0  1  0  0  0  0  0  0  0  0  0
    8.8988   -2.2635   -4.6245 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9956   -0.9865   -3.7583 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8640   -1.2866   -2.2943 N   0  0  2  0  0  0  0  0  0  0  0  0
    8.9517   -0.0686   -1.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9220    0.9615   -1.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5983    0.8322   -1.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6206    1.7916   -1.5821 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9296    2.9030   -2.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.0286   -2.8672 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2418    2.0764   -2.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9410    3.8600   -2.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1717    4.6429   -3.7393 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7392    3.9526   -2.1398 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6934    4.8577   -2.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6158    4.8246   -1.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5978    5.7515   -0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5609    5.7289    0.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4592    4.7640    0.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4659    3.8231   -0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5588    2.8279   -0.7346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3216    1.7189    0.1577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552    0.8157    0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3162    0.9299    1.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4082    0.0471    1.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5374   -0.9650    0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5735   -1.0940   -0.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4798   -0.1999   -0.8193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5173   -0.2864   -1.7870 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6016   -0.7137   -3.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5051   -0.8066   -3.6806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7697   -1.0220   -3.8336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448   -2.2743   -4.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9681   -2.6508   -5.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0309   -1.7191   -5.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9745   -0.4715   -4.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8493   -0.1102   -3.9761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8545    1.4493   -3.3051 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0307   -3.8420   -5.9074 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.0096   -4.1786   -6.6487 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.1935   -4.6527   -5.8260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5819    3.8636   -1.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8274   -2.3435   -1.8425 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7239   -3.6137   -2.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 33 38  4  0  0  0  0
 38 39  1  0  0  0  0
 35 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
 21 43  4  0  0  0  0
 17 43  4  0  0  0  0
  5 44  1  0  0  0  0
 44 45  1  0  0  0  0
  2 45  1  0  0  0  0
M  CHG  2  40   1  41  -1
M  END
$$$$
COVPDB1349
  Mrv2015 05262116073D          

 33 33  0  0  0  0            999 V2000
   -2.8731   20.1661    6.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2911   18.7462    6.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7649   17.7709    5.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1807   16.3445    5.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6543   15.3689    4.8095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0680   13.9436    4.9896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5413   12.9652    3.8842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9646   11.5347    4.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4573   10.5789    2.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9047    9.1340    3.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3304    8.2590    1.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9457    6.9733    1.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3251    6.1517    0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8752    4.8919    0.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2762    4.0381   -0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950    4.4690   -1.2758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9960    2.5874   -0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4313    1.9522    1.0881 N   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9244    0.5573    1.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4498    0.4878    1.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1796    0.9615    2.2637 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1989   -0.0525    0.2128 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6132   -0.1191    0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1937    2.0341    1.3446 S   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6402    3.5672    1.4972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5574    1.3041    2.7262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0439    1.2718   -0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3211   -0.1095    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9067   -0.7319   -1.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2135    0.0155   -2.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7573   -0.6661   -3.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9944    1.4099   -2.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4105    2.0320   -1.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  1  0  0  0  0
 30 32  4  0  0  0  0
 32 33  4  0  0  0  0
 27 33  4  0  0  0  0
M  END
$$$$
COVPDB1350
  Mrv2015 05262116053D          

 20 21  0  0  0  0            999 V2000
    1.7535    0.3508   -0.2300 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0497   -0.0836   -0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9176    1.0242   -0.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    2.1132   -0.7077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2937    0.9152   -0.0966 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8858   -0.3112    0.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3562   -0.5561   -0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1634    0.6804    0.1453 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5958    1.7756   -0.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1472    2.0864   -0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8845    0.3971   -0.1859 S   0  0  2  0  0  0  0  0  0  0  0  0
   -7.4114   -0.7663    0.7865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0602   -0.0852   -1.7064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8335    1.8637    0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4449    2.7651    1.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1584    3.9590    1.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2891    4.2479    0.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1504    5.6837    0.7885 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.7012    3.3376   -0.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9768    2.1511   -0.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 14 20  4  0  0  0  0
M  END
$$$$
COVPDB1351
  Mrv2015 05262116053D          

 18 19  0  0  1  0            999 V2000
   -3.6226   -3.6815    1.3312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9560   -2.1551    0.9723 S   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2782   -1.6342    1.7147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5227   -1.0740    1.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1887   -0.5051   -0.0726 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1040   -1.0260   -1.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0510   -1.8925   -0.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7936   -0.7116   -0.4542 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2600   -1.9750   -0.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9692   -2.9998   -0.5580 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1179   -2.2500   -1.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0497   -3.0796    0.0457 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    0.4040   -0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0100    1.1848   -1.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7988    2.3327   -1.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6235    2.7080   -0.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6411    1.9336    0.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8337    0.7843    0.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
M  END
$$$$
COVPDB1352
  Mrv2015 05262116053D          

 17 18  0  0  0  0            999 V2000
    0.7826   -0.7414   -1.1181 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4629    0.2942    0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4357    1.4550    0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9474    1.5426   -1.1050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6962    2.4424    0.9889 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1558    2.4182    2.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400    2.7087    3.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9528    3.9871    3.0988 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9163    4.4454    4.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2378    4.9355    5.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4051    4.4891    6.6828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6362    5.1551    7.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8033    6.1608    7.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2739    7.1082    8.0475 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0669    6.2412    5.4266 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5617    3.9282    1.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4894    3.6182    0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
 13 15  4  0  0  0  0
 10 15  4  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
  5 17  1  0  0  0  0
M  END
$$$$
COVPDB1353
  Mrv2015 05262116053D          

 21 22  0  0  0  0            999 V2000
   -1.8278    6.2293   -3.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2813    5.9878   -3.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2396    6.7463   -4.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6103    6.5058   -4.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0685    5.4921   -3.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5382    5.2898   -3.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1078    4.7065   -2.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    4.9795   -2.8857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5988    3.3896   -1.6046 S   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5251    3.9807   -0.4344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4995    2.3330   -2.4123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2970    2.4661   -0.8265 N   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5068    1.5756   -1.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6629    0.5896   -0.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8849    1.3023    0.1234 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6723    2.1331    1.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5057    3.1658    0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4975    1.2031    0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1052    1.8887    1.0902 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3409    0.3107   -0.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0675    0.2892   -0.2473 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$
COVPDB1354
  Mrv2015 05262116053D          

 16 17  0  0  0  0            999 V2000
    1.3037   -0.3802    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281   -0.2630    0.1743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5550    0.4656    1.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9530   -0.1941    2.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4013    0.5431    3.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655    1.9498    3.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793    2.5809    2.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276    1.8728    1.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0237    4.2720    1.8686 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4105    3.9702    0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2837    2.6269    0.1154 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1187    4.9352   -0.6544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4223    4.7418   -1.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7097    3.6006   -2.3206 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034    5.8970   -2.7566 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4389    6.0517   -3.0035 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  8 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$
COVPDB1355
  Mrv2015 05262116053D          

 19 20  0  0  0  0            999 V2000
    1.5097   -0.8256    0.0944 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0278   -0.1810    0.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5976    0.9520    0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0461    1.4133   -0.9046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8323    1.5076    0.4035 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4354    2.5657   -0.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8104    2.1087   -0.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7400    1.5868    0.1831 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0021    0.5317    1.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6315    1.0711    1.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9324    1.0110   -0.3766 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1337    1.6453   -0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2289    2.8460   -0.1882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2662    0.9946   -1.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3150   -0.4135   -1.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4362   -1.0390   -1.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5339   -0.2695   -2.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5108    1.1251   -2.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3927    1.7482   -1.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
M  END
$$$$
COVPDB1356
  Mrv2015 05262116053D          

 20 21  0  0  0  0            999 V2000
   -8.5454    0.3268   -2.3238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8394    1.1674   -3.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4966    2.2483   -3.7501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7897    3.1155   -4.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4171    2.9082   -4.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7529    1.8426   -4.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4565    0.9603   -3.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8713   -0.1412   -2.7878 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6816   -0.2509   -2.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3201   -1.4305   -1.9145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8295    0.8626   -1.6184 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4128    0.8600   -2.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4774    1.9037   -1.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4202    1.6641   -0.1750 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6991    1.8132    0.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7192    0.7895   -0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2610    1.2801    0.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3036    1.0902    1.7385 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0488    1.0486   -0.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3830    0.5762    0.8861 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$
COVPDB1357
  Mrv2015 05262116053D          

 19 20  0  0  1  0            999 V2000
   -6.0817   -2.1490    1.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7649   -1.7471    1.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6284   -0.5775    0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3848   -0.2226   -0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2529   -1.0366    0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -2.1928    0.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -2.5438    1.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0693   -0.7270   -0.4590 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8252   -1.2409   -1.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2004   -0.8817   -2.3634 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962   -2.1937   -2.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5749   -1.3497   -3.7454 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1122    0.1831    0.1741 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1157    1.5778   -0.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1161    2.7351    0.8779 S   0  0  1  0  0  0  0  0  0  0  0  0
    1.2641    3.5499    0.9303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3916    3.7051    0.8207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2155    0.3555    1.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2348    1.5837    2.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 15 19  1  0  0  0  0
M  END
$$$$
COVPDB1358
  Mrv2015 05262116053D          

 19 20  0  0  1  0            999 V2000
   -4.4450   -3.4040    2.4761 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8309   -2.5431    1.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4784   -2.7366    1.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8225   -1.8161    0.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5162   -0.6936    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8664   -0.4925    0.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5226   -1.4167    1.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8923    0.1711   -0.8477 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2184    1.2877   -0.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6344    2.0559   -1.1548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1380    1.6328    1.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0822    2.9924    1.4917 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9132   -0.1144   -2.2869 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4764   -0.4788   -2.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8074   -1.9167   -3.8830 S   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5057   -1.5424   -5.4129 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0281   -3.1959   -3.3978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8934   -1.1124   -2.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4991   -2.0898   -3.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 15 19  1  0  0  0  0
M  END
$$$$
COVPDB1359
  Mrv2015 05262116053D          

 18 19  0  0  0  0            999 V2000
    1.6107    0.2378   -0.7733 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0144   -0.0941   -0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9606    1.0527   -0.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5359    2.1315   -0.6646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2633    0.9778    0.3039 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1296    2.1476    0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3899    1.9389   -0.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1046    0.6032   -0.1429 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1183   -0.6007   -0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8791   -0.2561    0.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3760    0.3242   -0.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3762    0.2040   -0.1417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5739    0.2121   -2.2784 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5165    0.2842   -3.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5714   -0.8715   -4.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9762   -0.9889   -4.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0476   -1.1000   -3.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9203    0.0737   -2.8322 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
$$$$
COVPDB135
  Mrv2015 05262115533D          

 20 19  0  0  1  0            999 V2000
    3.0435    2.7733    0.7832 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6616    2.8121    0.4272 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1193    1.3589    0.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2804    1.3484    0.1340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9906   -0.0825    0.0829 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2627   -1.0140   -0.9733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9178   -0.7685    1.5095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3941    0.0931   -0.3072 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4703    3.5051   -0.9622 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2415    2.8135   -1.9460 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8570    5.0167   -0.9999 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7473    5.4949   -2.3414 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0327    5.9258   -0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0242    5.5230    0.3867 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138    7.3422    0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7528    7.4168    0.5577 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3084    8.8983    0.7737 P   0  0  2  0  0  0  0  0  0  0  0  0
    3.2518    9.6941   -0.5950 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8282    8.7853    1.2044 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5461    9.5991    1.8126 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
$$$$
COVPDB1360
  Mrv2015 05262116053D          

 14 14  0  0  1  0            999 V2000
   -2.6831    1.4389    0.4815 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5878    2.2096   -0.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1869    2.0764   -0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4431    3.0999    0.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4004    0.8480   -0.2242 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    0.5570    0.1748 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0905   -0.9052   -0.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9815    0.7849    1.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1164    1.5030    2.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3572    1.6844    3.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4523    1.1729    4.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3109    0.4663    3.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2082   -0.1338    5.1181 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0859    0.2669    2.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 12 14  4  0  0  0  0
  8 14  4  0  0  0  0
M  END
$$$$
COVPDB1361
  Mrv2015 05262116053D          

 17 18  0  0  0  0            999 V2000
    6.7813    2.5834   -3.6867 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5970    2.6564   -4.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    2.7869   -4.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4627    1.8040   -4.5143 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8961    3.9538   -3.8103 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7442    4.2829   -3.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8631    5.2938   -2.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7654    5.6536   -1.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5284    5.0163   -1.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3344    4.0340   -2.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4694    3.7052   -3.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9167    3.4473   -2.7776 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1611    4.0783   -2.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2858    3.0858   -2.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5842    1.9520   -3.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1666    2.2293   -3.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3108    1.3718   -3.6660 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
$$$$
COVPDB1362
  Mrv2015 05262116053D          

 17 18  0  0  0  0            999 V2000
    1.7443    0.5958   -0.8073 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1164    0.1333   -0.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9269    1.1914   -0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5776    2.2870   -0.9056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2322    1.0272    0.0617 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7190   -0.2219    0.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0860   -0.6425    0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0797    0.4678    0.1407 N   0  0  2  0  0  0  0  0  0  0  0  0
   -6.4710    0.0955   -0.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1496   -0.8000    0.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7790   -2.0292    0.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3646   -2.6498    1.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2433   -1.9500    2.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9016   -2.4579    4.4212 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -7.3519   -0.4838    2.3989 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5619    1.6991   -0.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1913    2.1231    0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
 13 15  4  0  0  0  0
 10 15  4  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
  5 17  1  0  0  0  0
M  END
$$$$
COVPDB1363
  Mrv2015 05262116053D          

 16 17  0  0  0  0            999 V2000
    1.6950    0.5409   -0.7722 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0664    0.0726   -0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9714    1.1337   -0.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6106    2.2209   -0.8962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2802    0.9966    0.0841 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7991   -0.2300    0.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1698   -0.6335    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1354    0.5086    0.1110 N   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5187    0.1721   -0.3521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2578   -0.6709    0.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4456   -0.2973    1.9701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1697   -1.1975    2.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6183   -2.5349    1.7199 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8523   -1.8953    0.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5772    1.7221   -0.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2137    2.1127    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
  5 16  1  0  0  0  0
M  END
$$$$
COVPDB1364
  Mrv2015 05262116053D          

 20 22  0  0  1  0            999 V2000
   -1.6371    5.5965    0.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4139    6.1922    1.9218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2739    5.4038    2.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3674    4.0227    2.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6086    3.4071    1.4369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7207    4.2056    0.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7605    1.9392    1.1705 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1666    1.5286   -0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8692    2.1451   -0.4046 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8988    3.6009   -0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3177    1.4198   -0.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3939    2.0327   -0.7290 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4048   -0.0644   -0.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0325   -0.7453   -0.4351 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2124    1.0665    2.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9786    1.3506    2.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4575    0.4920    3.8832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1520   -0.6771    4.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3790   -0.9767    3.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9043   -0.1107    2.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
M  END
$$$$
COVPDB1365
  Mrv2015 05262116053D          

 19 20  0  0  0  0            999 V2000
    1.7364    0.3423   -0.2255 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0308   -0.0858   -0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9336    1.0252   -0.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4495    2.1146   -0.7034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3105    0.9217   -0.0997 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9106   -0.3022    0.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3868   -0.5350   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1854    0.7064    0.1572 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6124    1.7991   -0.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586    2.0984   -0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9102    0.4364   -0.1629 S   0  0  2  0  0  0  0  0  0  0  0  0
   -7.4365   -0.7351    0.7994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1068   -0.0156   -1.6904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8271    1.9087    0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9604    2.3668   -0.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    3.6042   -0.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7705    4.1897    0.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0907    5.6779    1.7205 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.4750    3.0878    1.4156 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 17 19  4  0  0  0  0
 14 19  4  0  0  0  0
M  END
$$$$
COVPDB1366
  Mrv2015 05262116023D          

 26 28  0  0  1  0            999 V2000
   -7.9944   -0.6156   -3.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5420   -0.5915   -2.5662 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1268   -1.9271   -2.2826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5552    0.0345   -3.5890 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0812    0.2404   -3.0749 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7386    0.1135   -3.8496 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8395   -0.6394   -5.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3009    1.5057   -3.9663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770    1.9230   -4.4064 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1841    2.2443   -2.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4587    0.9814   -2.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2647    0.1619   -2.6230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1557    0.7283   -0.9266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0694   -0.4788   -0.1500 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8515   -1.6369   -0.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8442   -2.9310    0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3599   -2.6715    1.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6236   -1.4901    2.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6237   -0.2045    1.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2922    2.3666   -3.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3034    1.5813   -3.4123 N   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5932    1.4979   -3.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4443    2.3060   -4.1482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3151    3.7498   -3.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2637    4.4828   -4.1377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3312    4.3723   -3.3178 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
  8 20  2  0  0  0  0
 20 21  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 22  1  0  0  0  0
 22 23  2  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
$$$$
COVPDB1367
  Mrv2015 05262116053D          

 17 18  0  0  0  0            999 V2000
    1.4477    0.5340   -0.8838 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1206    0.1058   -0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1845    1.1370   -0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8807    2.1827   -0.9508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4683    1.0038    0.1984 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9293   -0.1628    0.9334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2320   -0.7441    0.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2150    0.2991    0.0721 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7141    1.4415   -0.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4747    2.0394    0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5287    0.2568    0.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2293    1.2970    0.5095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2274   -0.8699    1.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1393   -2.2065    0.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0375   -3.1013    1.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9069   -2.5303    2.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5149   -0.8259    2.2265 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
M  END
$$$$
COVPDB1368
  Mrv2015 05262116053D          

 16 17  0  0  0  0            999 V2000
    1.7822    0.5484   -0.6362 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1245    0.0933   -0.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9050    1.1619   -0.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5143    2.2598   -0.8420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2419    1.0086    0.0052 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7631   -0.2360    0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1481   -0.6191   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1032    0.5158    0.1441 N   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5187    0.1796   -0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1419   -0.7620    0.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6403   -2.0486    0.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2428   -2.6995    1.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2485   -1.9727    2.7746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4473   -0.4488    2.4466 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5844    1.7249   -0.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1789    2.1232   -0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
  5 16  1  0  0  0  0
M  END
$$$$
COVPDB1369
  Mrv2015 05262116053D          

 18 19  0  0  0  0            999 V2000
    1.5192   -0.0931   -0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.0813   -0.0549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4155    0.5770    1.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5964    1.9715    1.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0647    2.6522    2.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3762    1.9657    3.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621    0.5503    3.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7803   -0.1339    2.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7363    2.6635    4.4944 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5183    3.8798    4.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6347    5.0587    4.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9031    4.7806    6.2023 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3989    3.4281    6.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2712    2.2908    5.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5451    5.7938    7.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1294    5.5100    8.1166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8837    7.2312    6.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1960    8.3435    8.0929 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$
COVPDB136
  Mrv2015 05262115583D          

 17 18  0  0  0  0            999 V2000
   -2.8456   -0.4007    2.3459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2447   -1.1927    1.0993 B   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2933   -0.6346    0.1350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6299   -2.6157    0.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6682   -4.0168    1.0030 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4181   -5.1858    0.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5309   -6.5830    0.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -7.3316    0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1659   -6.6752    0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0853   -5.2657    0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2246   -4.4778    0.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3170   -3.0473    0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1970   -2.2112    0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1575   -0.8691    0.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0026   -0.1285    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2109   -0.6982   -0.2311 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9559    1.1221    0.0585 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  4  0  0  0  0
  4 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
$$$$
COVPDB1370
  Mrv2015 05262116053D          

 17 17  0  0  0  0            999 V2000
   -6.0389    0.7288   -4.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4921    1.1077   -2.9859 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.9596    1.6287   -2.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2244    0.0198   -2.0331 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1786   -1.0865   -2.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0997   -0.0188   -1.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9176   -1.0346   -0.4684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0069    1.0059   -1.0480 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7755    0.6280   -1.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6271    1.6610   -1.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2686    1.8160   -0.3614 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3629    2.2393    0.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5501    1.2419    0.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0130    1.5749    0.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2264    1.6797    1.3689 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1768    1.2095   -0.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    0.9064    0.1399 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
$$$$
COVPDB1371
  Mrv2015 05262116053D          

 12 12  0  0  0  0            999 V2000
    4.0581   -1.3806   -1.0677 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6872    0.3304   -0.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837    0.6067   -1.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0546    1.4163   -2.1759 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3064    0.0054   -0.5047 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0553    0.1502   -0.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7696    0.6445   -1.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1645    0.8114   -1.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8503    0.4659   -0.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1616   -0.0447    0.5957 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8151   -0.2210    0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1295   -0.8907    1.9787 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$
COVPDB1372
  Mrv2015 05262116053D          

 13 13  0  0  0  0            999 V2000
   -5.6743    5.2223   -0.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1922    5.2384   -0.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7534    6.2780   -1.0715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3022    4.2570   -0.0776 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8619    4.4561   -0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1455    3.2792   -0.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5406    1.9922   -0.3046 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9757    1.7893   -0.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7043    2.9786    0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6313    0.9954    0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0533   -0.0919    0.5175 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8438    1.1238   -0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7881   -0.3276    0.2499 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
$$$$
COVPDB1373
  Mrv2015 05262116033D          

 33 36  0  0  0  0            999 V2000
    0.6123    2.0122    2.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1110    1.4256    1.0140 N   0  0  1  0  0  0  0  0  0  0  0  0
    0.4055    1.9299   -0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3823    1.3229   -1.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4418   -0.1095   -1.3480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9602   -0.6554   -0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1843   -0.0688    1.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0011   -0.9290   -2.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926   -1.3516   -3.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4474   -2.1874   -4.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9048   -2.5895   -4.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853   -3.3623   -5.4861 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0534   -3.2579   -6.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3632   -4.2623   -7.6602 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0529   -4.1974   -8.9804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3938   -3.0656   -9.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0139   -3.0046  -11.1530 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0809   -2.0118   -8.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5267   -0.8615   -9.0487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9114    0.1964   -8.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6044   -0.0233   -7.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9772    1.0465   -6.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7084    2.3647   -6.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    2.6047   -7.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759    1.5365   -8.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0881    1.9277   -9.8553 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9391    1.4074  -10.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6576    0.4852  -10.1397 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2731    1.9724  -11.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5330    2.8876  -12.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4352   -2.1575   -7.3053 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866   -2.1959   -3.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3427   -1.3659   -2.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 18 31  4  0  0  0  0
 13 31  4  0  0  0  0
 11 32  4  0  0  0  0
 32 33  4  0  0  0  0
  8 33  4  0  0  0  0
M  END
$$$$
COVPDB1374
  Mrv2015 05262116053D          

 15 14  0  0  1  0            999 V2000
    1.5369   -1.0529    0.0150 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6210    0.2777    0.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4669    1.3695   -0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9884    2.4830   -0.0184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2402    1.1466   -1.4069 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4224    2.0706   -2.4884 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9094    2.5260   -2.6026 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4108    3.2358   -1.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0660    3.4313   -3.6977 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0415    1.3914   -3.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4901    0.3089   -4.0706 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0350    1.9481   -4.4670 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5362    1.4075   -5.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5564    2.2804   -6.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144    1.8392   -6.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
$$$$
COVPDB1375
  Mrv2015 05262116053D          

 16 15  0  0  1  0            999 V2000
    1.9790   -0.4798    0.0970 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.2809    0.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1261    1.3767   -0.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0443    2.5487    0.0471 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0923    1.0952   -1.7071 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4092    2.0464   -2.7392 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1362    1.5194   -4.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5973    1.2798   -4.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0528    0.1149   -4.1265 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4719    2.3005   -4.0388 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8727    2.3084   -2.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6878    1.5025   -2.3006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3241    3.4296   -3.4525 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7026    3.7833   -3.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8509    5.1888   -3.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7494    5.6565   -4.8153 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
$$$$
COVPDB1376
  Mrv2015 05262116023D          

 48 55  0  0  1  0            999 V2000
    5.6836    0.8801   -2.8995 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7482    0.2894   -3.7619 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8342    1.2280   -4.3035 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3233    0.8141   -3.3903 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8009    0.0288   -2.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3198    2.3862   -3.1914 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9650    3.0567   -4.4400 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4978    2.7026   -4.6957 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7189    2.7848   -6.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6975    3.4368   -3.9591 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7461    2.3823   -4.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2508    1.1383   -4.2445 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9674    2.5859   -3.8227 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4994    3.8805   -2.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1574    4.5845   -4.6820 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500    4.5306   -4.4653 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5227    5.4685   -4.4499 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5030    4.6641   -3.2332 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3496    5.7404   -3.2046 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6112    5.7399   -1.7944 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2504    4.2736   -1.3134 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1971    4.1964    0.0523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517    3.2813    0.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6126    2.3988   -0.0844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3093    3.3528    2.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    3.2267   -1.4872 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9838    3.2053   -2.9593 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8740    2.6928   -3.9617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5247    3.3185   -0.5627 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8847    4.0884    0.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1380    4.9314    1.0522 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2194    3.8869    1.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5697    6.8277   -1.7275 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7237    6.4528   -2.7325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0330    8.2521   -2.0834 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8505    8.2360   -3.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7301    9.1506   -4.1873 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8594    7.1741   -3.5716 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2489    7.2057   -4.9495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0339    9.4033   -2.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0734    9.3759   -0.9554 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1840    8.1410   -0.0930 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5645    9.3531    0.3795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1934    6.9515   -0.2742 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1555    7.0496    0.7244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2926    7.0374    2.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4117    6.8727    2.6278 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8881    7.2471    2.9363 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 12  1  0  0  0  0
 11 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
  6 27  1  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 20 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 19 38  1  0  0  0  0
 38 39  1  0  0  0  0
 35 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 41 43  1  0  0  0  0
 42 44  1  0  0  0  0
 33 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
M  END
$$$$
COVPDB1377
  Mrv2015 05262115563D          

 20 22  0  0  1  0            999 V2000
   -3.1041   -1.0609   -3.8951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7893   -0.2848   -3.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8090   -0.4996   -2.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7258    1.0188   -2.9401 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7617    1.0471   -1.9773 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7270    2.0189   -3.1348 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2907    3.1928   -3.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6808    3.6723   -4.9568 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.3227    3.7789   -3.4502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2118    2.2502   -1.6594 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7628    1.9038   -0.7046 S   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5290    0.9586    0.5671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5064    3.2603   -0.2841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6713    3.6855   -1.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1428    1.1745   -1.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0903    1.2110   -1.9694 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    1.9330   -1.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1232    1.6187   -2.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5597    0.7252   -3.4510 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3533    0.5030   -3.0277 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
M  CHG  1   8  -1
M  END
$$$$
COVPDB1378
  Mrv2015 05262115493D          

  8  7  0  0  1  0            999 V2000
    0.9276   -0.7823    1.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7272    0.0553   -0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4101    1.3148   -0.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3873    2.2672   -1.4036 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0770    2.6001   -1.7632 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1196    3.5046   -1.0993 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0702    1.4888   -2.6815 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4831    1.1096   -2.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
$$$$
COVPDB1379
  Mrv2015 05262115443D          

 36 36  0  0  1  0            999 V2000
    2.6708   12.9502   -0.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4422   12.0072    0.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3584   10.5203   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2275    9.5811    0.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0701    8.2229    0.4167 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8277    7.1811    0.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7756    7.3590    1.6607 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249    5.8936    0.4612 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5897    5.3432   -0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8930    4.1343    0.3392 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7257    4.5798    1.0643 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533    5.4446    2.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7481    5.8457    2.6433 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3496    5.8085    2.4912 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0740    6.9414    3.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0342    6.6536    4.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2773    7.8234    5.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3970    7.5049    6.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    3.0827   -0.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8242    1.9357   -0.0842 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    0.6380   -1.0183 P   0  0  1  0  0  0  0  0  0  0  0  0
    0.7576   -0.3142   -0.3088 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9305    1.0729   -2.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7802   -0.0892   -3.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1786    0.4193   -4.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1137   -0.6564   -5.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0651   -0.0219   -1.2791 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6712   -0.4871   -0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5073    0.3528    0.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1286   -0.1324    1.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9555   -1.4754    2.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5444   -1.9425    3.3300 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4283   -3.1495    3.7160 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2035   -1.2775    4.0297 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388   -2.3156    1.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5062   -1.8306    0.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 31 35  4  0  0  0  0
 35 36  4  0  0  0  0
 28 36  4  0  0  0  0
M  CHG  2  32   1  33  -1
M  END
$$$$
COVPDB137
  Mrv2015 05262116003D          

  6  5  0  0  0  0            999 V2000
    1.5854    1.7372    1.9276 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4465    1.1517    2.5476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3443    0.3930    1.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5153   -0.8389    1.7195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9373    1.0590    0.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8550    2.0656    0.7911 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
$$$$
COVPDB1380
  Mrv2015 05262115493D          

 10  9  0  0  1  0            999 V2000
   -2.0639    5.7819    2.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5608    5.0179    1.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0664    3.5520    1.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5611    2.8425    0.0057 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1099    1.2615   -0.0757 P   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6595    0.5240    1.1633 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6321    0.6566   -1.3087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5082    1.1982   -0.0594 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0522   -0.1285   -0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5870   -0.0161   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$
COVPDB1381
  Mrv2015 05262115443D          

 17 17  0  0  1  0            999 V2000
   -8.1871    4.2397   -6.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0490    5.7535   -6.7416 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.0929    5.9681   -8.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1968    6.5482   -6.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7772    6.1247   -6.1670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2296    7.3631   -6.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8574    7.6347   -4.8475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0585    8.1925   -7.0727 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5990    9.5541   -7.1288 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2809    9.5620   -7.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0613   10.2649   -8.8133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6650   10.4445   -5.8277 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0676   11.9211   -6.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2518   12.7734   -4.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9915   12.7468   -3.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5417   11.2949   -3.6554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3643   10.4587   -4.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
$$$$
COVPDB1382
  Mrv2015 05262116143D          

 35 46  0  0  1  0            999 V2000
   -6.3885   -4.4207   -3.6502 Ru  0  0  0  0  0  0  0  0  0  0  0  0
   -6.4977   -2.1823   -3.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4920   -3.0039   -1.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7188   -3.8809   -1.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4801   -3.6067   -3.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7241   -2.5577   -3.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5869    1.5768    3.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1145    1.8272    2.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5102    2.8946    1.9173 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3338    0.8798    1.2143 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8460    0.9222   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0882   -0.2872   -0.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0896   -1.5571   -0.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2531   -2.6266   -1.2596 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7580   -2.7488   -2.5808 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9839   -1.4085   -3.5341 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2870   -0.0147   -2.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1579   -4.1910   -2.6063 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9638   -4.3454   -3.3731 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2343   -5.4840   -3.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6487   -6.5821   -3.0564 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0962   -5.3878   -4.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0841   -4.5505   -3.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3286   -4.1940   -3.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5377   -2.9926   -4.2852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3267   -5.2151   -4.3635 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9162   -6.1544   -3.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1842   -6.6833   -3.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3850   -6.0029   -5.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2420   -5.0451   -5.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8293   -3.8998   -1.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2396   -4.5808   -0.3466 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8727   -1.8582    0.8932 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7200   -2.6915    1.5434 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8844   -1.4201    1.5247 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  2  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  1  0  0  0  0
  1 27  1  0  0  0  0
 27 28  1  0  0  0  0
  1 28  1  0  0  0  0
 28 29  1  0  0  0  0
  1 29  1  0  0  0  0
 29 30  1  0  0  0  0
  1 30  1  0  0  0  0
 26 30  1  0  0  0  0
 18 31  1  0  0  0  0
 14 31  1  0  0  0  0
 31 32  2  0  0  0  0
 13 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
M  RAD  8   2   2   3   2   4   2   5   2   6   2  27   2  28   2  29   2
M  RAD  1  30   2
M  END
$$$$
COVPDB1383
  Mrv2015 05262115593D          

 33 36  0  0  1  0            999 V2000
    4.7995    0.2843    3.8319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7545    1.3345    4.3349 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8275    2.5965    3.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1093    1.7729    5.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    0.7279    4.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1463   -0.2509    5.0777 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3851    1.1969    3.5074 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0198    0.7549    3.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7178    1.3013    2.4144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0539    1.0913    2.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7222    0.4224    2.9917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6957    1.5537    1.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2549    2.3000   -0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2818    2.4705   -1.0401 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8146    3.9171   -1.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3587    1.4243   -0.6342 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9487    1.3368    0.7017 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7929    1.6501   -0.0197 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1450    1.4134    1.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5464    1.4911    2.4590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8772    0.6205   -0.4485 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.1929    0.7530    0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1612    0.8381   -1.8295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6623    2.9655   -0.1885 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3601    1.5505   -0.7228 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8301    1.8574   -1.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    1.2113   -2.3187 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1365    1.0614   -2.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483    0.7809   -3.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    0.8303   -3.2604 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3799    0.2866   -4.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4779   -0.4792   -5.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8219    0.0228   -4.7404 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 29 33  1  0  0  0  0
M  END
$$$$
COVPDB1384
  Mrv2015 05262115483D          

 19 20  0  0  0  0            999 V2000
   -2.9846   -4.0046   -1.0879 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9170   -2.7244   -0.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5618   -1.8280   -1.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4904   -0.4474   -1.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7689    0.0604   -0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172   -0.8520    0.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3460   -0.4311    1.9473 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1943   -2.2361    0.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5123   -3.0725    1.4157 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6692    1.4589   -0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7944    2.1843    0.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6998    3.5608    0.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4840    4.2358    0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3614    3.5328    0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4385    2.1462   -0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    1.4860   -0.6154 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4282    0.9314    0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5838    0.1885   -0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7354   -1.0293    0.2242 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
$$$$
COVPDB1385
  Mrv2015 05262115413D          

 33 34  0  0  1  0            999 V2000
    1.4304    7.3932    4.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3923    7.3247    3.5610 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0467    7.4687    4.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5689    6.0271    2.6946 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8747    5.9706    2.0951 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6806    4.8746    1.9851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3586    3.7782    2.5017 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9461    4.9817    1.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3662    3.7420    0.5687 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0660    3.4760   -0.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5401    2.3455   -1.3386 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3145    1.4507   -0.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667    1.6679    0.6517 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4938    0.8464    1.3670 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4116   -0.4881    0.7989 S   0  0  2  0  0  0  0  0  0  0  0  0
    8.7267   -0.8318    2.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0940   -0.1526   -0.6125 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4598   -1.7711    0.6622 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1267    2.8234    1.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3760    2.9935    2.4859 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2980    4.2959   -1.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9438    4.6086   -1.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2055    5.4095   -2.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8081    5.9030   -3.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1087    6.6644   -4.2897 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1529    5.5956   -3.6991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8916    4.8011   -2.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3910    5.9375    1.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4061    6.8651    0.7106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2967    4.7761    1.3803 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2282    4.7460    2.3876 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5876    3.6008    1.3997 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9792    4.8192    0.1882 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  2  0  0  0  0
 13 19  4  0  0  0  0
  9 19  4  0  0  0  0
 19 20  2  0  0  0  0
 10 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  1  0  0  0  0
 24 26  4  0  0  0  0
 26 27  4  0  0  0  0
 21 27  4  0  0  0  0
  4 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
$$$$
COVPDB1386
  Mrv2015 05262115413D          

 33 34  0  0  1  0            999 V2000
    0.7266   -3.7407   -2.1516 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9651   -2.9335   -1.0652 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1232   -2.1133   -0.9685 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0673   -2.1653   -1.3474 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2282   -3.7480    0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9950   -4.7290   -0.0219 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7611   -3.4753    1.5451 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7676   -3.2230    1.7992 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6813   -4.2838    1.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1011   -3.1570    3.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6939   -2.6228    2.2299 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486   -1.2783    2.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9695   -0.9750    2.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2413   -0.1612    1.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0481    0.2504    2.0781 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1758    0.5831    3.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9387    0.8909    4.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7392    2.0149    3.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8649    2.3368    4.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034    1.5426    5.8192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4057    0.4336    6.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2706    0.1157    5.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4605    0.7099    3.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6027    0.6162    3.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4690    0.4596    1.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1646    0.3305    1.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0618    0.2758    0.0187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5273    0.4280    0.9407 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1244   -0.0799    1.2920 S   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1664   -1.0879    2.5366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0518    1.1952    1.5765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7391   -0.9101   -0.1378 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9325   -2.0972   -0.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 16 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 15 26  4  0  0  0  0
 26 27  2  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
$$$$
COVPDB1387
  Mrv2015 05262116153D          

 45 46  0  0  1  0            999 V2000
   -7.6854   -0.1328    9.5067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6640   -0.3570    8.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7546   -0.2786    7.5104 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5124   -0.5804    6.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0614   -1.1138    6.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4535   -0.7056    7.5170 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4511    0.4958    7.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0186    0.2553    6.9032 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4018   -0.9496    7.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5864   -0.9515    8.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0187   -2.0895    9.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2728   -1.9683   10.0725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2640   -3.3311    8.5474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7629   -4.5813    9.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3015   -5.7358    8.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9281    0.1906    5.4707 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1317    1.2213    4.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5231    2.3400    5.0088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8330    1.0604    3.1508 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4665   -0.2263    2.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2775   -0.4240    0.9895 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7348   -1.8498    0.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0157    0.6429    0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4046    1.0437    3.0301 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6677    1.6556    2.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2314    2.3325    1.1662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1858    1.5645    2.0478 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3959    0.1165    1.9054 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1449   -0.8017    3.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1186   -0.5894    0.7394 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3491   -0.3658   -0.6295 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8984   -0.2252   -0.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3767    0.8367   -1.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0880   -1.6716   -1.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3223    2.4711    3.0360 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6341    2.6812    3.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930    1.7771    3.4474 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0811    3.9681    3.4011 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8219    4.8532    2.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7014    6.0459    2.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1075    5.9012    2.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9482    7.0282    2.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3956    8.3116    2.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0020    8.4680    2.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1610    7.3425    2.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 27 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 40 45  4  0  0  0  0
M  END
$$$$
COVPDB1388
  Mrv2015 05262116133D          

 27 29  0  0  1  0            999 V2000
    1.0861   -0.2813    0.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2947    0.0762    0.3770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5528    0.9618    1.4889 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2075    2.3486    1.3635 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0009    3.0597    0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0110    2.4949   -0.9014 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1471    4.5425    0.2761 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1930    5.1172    0.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7895    4.9532    1.7727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8096    5.7892   -0.2903 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1831    5.0921    1.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0798    4.3316    1.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0620    5.4358    2.9338 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3383    6.8960    2.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3579    6.4898    1.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3344    0.3456    2.9184 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1266    1.2972    4.3999 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4906    1.2209    5.2804 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9652    2.6968    5.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2849    0.5767    6.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4413    0.4198    4.3018 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7280    0.4547    3.0720 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9734    0.8981    1.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0186    1.2611    1.2598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7616   -0.9920    4.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0422   -1.3630    4.8656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -1.8750    4.6886 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 11 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  2  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
$$$$
COVPDB1389
  Mrv2015 05262116073D          

 27 28  0  0  1  0            999 V2000
   -2.6233    0.6648   -0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5473   -0.2905    0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1765    0.2186    0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7977   -1.5989    0.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1260   -2.2089    0.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0996   -3.7607    0.5130 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4888   -4.2882    1.7874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3599   -4.6201    0.6879 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.7156   -3.8549    0.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4117   -6.1731    0.3673 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7036   -7.0950    1.6265 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5704   -8.3502    1.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4875   -6.3870    2.5928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2444   -6.7284   -0.5273 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6600   -7.9199   -1.2452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0975   -7.7308   -2.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9766   -7.1123    0.2902 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3035   -8.1058    1.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3923   -7.5175    2.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0001   -7.6431   -0.6268 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2078   -7.0953   -0.9743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6262   -6.0511   -0.4233 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0113   -7.6260   -1.9306 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7771   -8.7370   -2.6858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2492   -9.4427   -2.5359 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7463   -9.1058   -3.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -9.4280   -3.0620 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 11 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
$$$$
COVPDB138
  Mrv2015 05262115583D          

 34 34  0  0  1  0            999 V2000
    1.4780   -6.9919    7.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -6.7988    6.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931   -5.8216    5.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5634   -5.6484    4.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7384   -4.6664    3.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2756   -4.4614    3.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3149   -3.5028    1.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7441   -3.3092    1.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7989   -2.2516   -0.0107 P   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1955   -2.0284   -0.4099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9812   -2.9530   -1.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8899   -2.1708   -2.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7221   -1.4205   -2.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6795   -0.4785   -3.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7854   -0.2966   -4.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7916    0.6574   -5.4276 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.7158    0.7613   -6.2957 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.9636    1.4776   -5.5113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8980   -1.1617   -4.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9485   -2.0895   -3.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0971   -0.8737    0.4250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4709    0.3603   -0.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5873    1.5642    0.2298 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5368    2.5244   -0.8597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0324    3.8433   -0.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1194    4.7476   -1.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5303    6.1673   -1.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5990    7.0276   -2.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1594    1.1672    0.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3297    0.7551   -0.3938 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0481    0.5492   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8686    0.0482   -1.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648   -0.1665   -0.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1666   -0.7401   -2.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 15 19  4  0  0  0  0
 19 20  4  0  0  0  0
 12 20  4  0  0  0  0
  9 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  CHG  2  16   1  17  -1
M  END
$$$$
COVPDB1390
  Mrv2015 05262115493D          

 12 11  0  0  1  0            999 V2000
    2.1318   -3.0165   -4.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5661   -2.2598   -3.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0335   -2.9059   -2.5655 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4656   -2.3215   -1.1635 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0084   -2.3715   -1.2517 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0200   -3.2173    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339   -3.8733    0.8542 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9814   -0.7314   -1.0131 N   0  0  2  0  0  0  0  0  0  0  0  0
    3.4843   -0.6296   -1.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0588    0.7954   -1.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011    0.0305    0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1368    0.2047    0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  3  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$
COVPDB1391
  Mrv2015 05262115493D          

  9  8  0  0  1  0            999 V2000
    4.0007    3.0454   -2.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5082    1.5863   -2.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0369    1.5574   -2.6634 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3798    0.0538   -2.5591 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1489    0.1836   -2.3790 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6726   -0.7211   -3.7738 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9882   -0.7159   -1.2924 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7681   -0.0846   -0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5045   -0.8967    1.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
$$$$
COVPDB1392
  Mrv2015 05262116003D          

 19 18  0  0  1  0            999 V2000
   -1.6782   13.7598   -0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1774   12.7105    0.9843 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9635   13.3595    2.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0149   12.1338    0.3919 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7458   10.8852    1.0934 P   0  0  1  0  0  0  0  0  0  0  0  0
    1.7734   10.3815    0.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4390   11.3878    2.3796 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3768    9.6438    1.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2173    8.4894    2.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8488    7.4049    2.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3285    6.2945    3.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3925    5.1916    3.8336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8756    4.0569    4.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9158    2.9310    5.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590    1.8104    5.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3906    0.6783    6.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8334   -0.4444    7.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7783   -1.5229    7.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4835   -2.5786    8.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
$$$$
COVPDB1393
  Mrv2015 05262115413D          

 25 26  0  0  1  0            999 V2000
  -10.4290    5.3092    0.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7212    4.3780    1.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3077    3.1403    1.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6653    2.2737    2.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4146    2.6137    3.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8064    3.8271    2.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4538    4.7016    1.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6503    1.5767    4.2389 S   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0566    1.5719    4.0546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9646    2.2195    5.6763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2988   -0.0833    4.1396 N   0  0  2  0  0  0  0  0  0  0  0  0
   -8.4677   -0.7821    5.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2862   -1.7619    5.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5431   -1.7047    4.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5556   -1.0534    3.2814 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.0044   -0.5391    1.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7979    0.0199    1.2076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6906   -0.6904    1.6680 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0506   -0.2125    0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6705    0.3914    0.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7320    0.7743   -0.6822 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9566    1.6046    0.0715 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1757    0.1803    0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6100    0.6321    0.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5286   -0.5078    0.6036 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$
COVPDB1394
  Mrv2015 05262115453D          

 23 24  0  0  1  0            999 V2000
    1.2583   -0.6502    3.8016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4060   -1.1429    3.3164 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2120   -0.1255    2.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0578   -0.7253    1.0395 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -1.9422    1.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793   -2.6771    0.0944 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9102   -2.3424    2.4486 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3795   -3.2672    2.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4462   -2.5895    2.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9998   -3.7998    1.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5003    0.0334   -0.4399 S   0  0  1  0  0  0  0  0  0  0  0  0
    0.8457    0.3932   -1.2376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3199   -1.0287   -1.3234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5030    1.4746   -0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0031    2.7564   -0.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8512    3.8777   -0.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2088    3.7373   -0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1292    4.8988   -0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6868    2.4542    0.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8373    1.3338    0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5344   -1.5611    4.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2164   -1.3964    5.6948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6376   -2.0892    4.1154 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 14 20  4  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
$$$$
COVPDB1395
  Mrv2015 05262115413D          

 23 24  0  0  1  0            999 V2000
    1.5793    0.2819    1.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5420    0.4525   -0.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1499   -0.7591   -1.1262 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2322   -2.0243   -1.1565 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6211   -2.0152   -2.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4780   -1.1823   -3.3432 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3174   -0.4720   -2.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1707    0.3400   -2.9926 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4157   -1.1851   -5.0640 S   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1191   -1.3588   -5.5046 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2077   -2.4899   -5.5624 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0774    0.2714   -5.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2775    0.2090   -6.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7543    1.3384   -7.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541    2.5725   -7.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8695    2.6282   -6.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3846    1.4960   -5.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4858    3.6453   -7.9259 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8903    4.7703   -7.8934 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4268    3.6191   -8.6200 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9629   -3.2836   -0.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5820   -4.0609    0.1871 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9349   -3.6565   -1.5502 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  CHG  2  18   1  19  -1
M  END
$$$$
COVPDB1396
  Mrv2015 05262115503D          

 23 24  0  0  1  0            999 V2000
   -5.1239    1.2195    1.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7471    0.7265    1.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6996    1.6496    1.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3849    1.2029    1.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0971   -0.1766    1.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1337   -1.1020    1.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4472   -0.6551    1.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383   -0.7625    0.8390 S   0  0  1  0  0  0  0  0  0  0  0  0
    1.3873   -0.7745    2.2022 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4984   -2.2682    0.2886 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4241    0.2685   -0.2994 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9981    0.3530   -1.7242 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3856    0.8878   -1.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3681    0.1087   -1.8245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6620    2.3236   -2.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0301    2.5995   -3.7824 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2266   -0.9290   -2.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6594   -1.3237   -2.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4613   -0.8170   -3.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8089   -1.2044   -3.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3789   -2.0942   -2.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5969   -2.6069   -1.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2499   -2.2222   -1.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
M  END
$$$$
COVPDB1397
  Mrv2015 05262115503D          

  9  8  0  0  0  0            999 V2000
    2.0117   -1.9998    2.1982 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3148   -1.6814    2.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2114   -0.5342    1.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1745   -0.7369    0.9937 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3426    0.8412    1.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2536    1.4354    3.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8389    2.7872    3.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0514    2.9419    3.6567 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0751    3.8827    3.1791 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  CHG  1   9  -1
M  END
$$$$
COVPDB1398
  Mrv2015 05262116103D          

 15 16  0  0  1  0            999 V2000
   -2.7836   -2.5832   -3.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9783   -1.4431   -2.4971 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2939   -0.5666   -3.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9137   -1.9201   -1.4350 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8954   -0.8258   -0.5142 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0241   -0.1786    0.0463 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0548    1.0082    0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.1342   -0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1922    0.3054   -0.4789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0554   -0.3534   -1.4574 S   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4240   -1.0909   -1.0685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3344    1.0711   -2.1358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2168   -3.1922   -0.7324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4390   -4.2831   -0.9234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2085   -3.3046    0.0234 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  6 10  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
$$$$
COVPDB1399
  Mrv2015 05262115413D          

 11 11  0  0  0  0            999 V2000
   -3.3297    1.5762   -2.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1299    1.2476   -1.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3257    2.2724   -1.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1882    1.9619   -0.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1644    0.6189   -0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5954    0.2315    0.7858 S   0  0  2  0  0  0  0  0  0  0  0  0
    2.2442   -1.2220    0.2938 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930    0.1047    2.3338 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7224    1.3611    0.6264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6408   -0.4100   -0.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7779   -0.0980   -1.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  2  0  0  0  0
  5 10  4  0  0  0  0
 10 11  4  0  0  0  0
  2 11  4  0  0  0  0
M  END
$$$$
COVPDB139
  Mrv2015 05262115463D          

 29 30  0  0  1  0            999 V2000
    7.9308   -3.5478   -1.4830 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6941   -3.5948   -1.1944 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.4122   -3.0501   -0.1992 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7893   -4.2246   -1.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1631   -4.8286   -3.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2199   -5.4909   -4.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8669   -5.5641   -3.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4844   -4.9902   -2.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4248   -4.3188   -1.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9434   -6.2259   -4.3806 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3072   -5.3231   -5.5443 P   0  0  1  0  0  0  0  0  0  0  0  0
    3.3765   -4.7570   -6.3807 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665   -6.3034   -6.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9629   -7.4943   -7.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448   -8.3339   -8.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414   -9.6197   -8.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4852  -10.4222   -9.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0434  -11.7215  -10.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995   -4.0985   -4.8828 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3175   -4.4399   -4.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3213   -3.2003   -3.4318 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7132   -2.4255   -2.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5712   -3.5926   -2.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6135   -4.3533   -3.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5548   -3.6824   -4.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5004   -4.4066   -4.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5139   -5.8122   -4.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5965   -6.4940   -4.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6596   -5.7690   -3.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
$$$$
COVPDB13
  Mrv2015 05262115453D          

 36 37  0  0  1  0            999 V2000
    2.5464   -9.2199   -9.0656 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6991   -8.2182   -8.9775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6556   -7.3777   -9.9413 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9288   -8.1198   -7.8925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0751   -7.1200   -7.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8598   -7.3594   -6.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7765   -6.1600   -5.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4953   -6.2765   -4.5974 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7181   -7.0220   -4.6943 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4288   -7.5074   -3.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0630   -7.3154   -2.4540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5614   -8.2207   -3.9068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3950   -8.8590   -2.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5621   -9.4877   -3.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5307  -10.8458   -3.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6522  -11.4396   -4.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8148  -10.6803   -4.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8569   -9.3278   -4.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7346   -8.7340   -3.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7289   -4.9075   -4.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4647   -4.1206   -4.7086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0205   -4.5012   -2.9741 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6936   -3.1440   -2.6575 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6659   -2.8731   -1.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414   -1.5412   -0.9513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7632   -1.1664    0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0055    0.1080    0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6863    1.3436    0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0291    2.5509    0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4350    2.5369    0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1258    1.3171    0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4105    0.1104    0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3137   -2.9143   -3.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3062   -1.9497   -4.1033 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9399   -3.7756   -2.9132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2223   -3.6010   -4.1074 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
  8 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
 23 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
$$$$
COVPDB1400
  Mrv2015 05262115543D          

 16 15  0  0  1  0            999 V2000
   -2.2344   -2.6715   -4.8141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0882   -2.5571   -5.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1559   -3.3309   -5.0811 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3891   -3.0727   -6.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1825   -4.8632   -5.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4820   -2.9299   -3.5828 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6317   -3.6358   -3.1057 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7161   -1.4994   -3.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7131   -0.5997   -4.1200 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9443   -1.1749   -1.9432 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1472    0.1510   -1.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392    0.1337    0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7589    1.4717    0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4547    2.5107    0.0209 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3403    1.5700    2.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5959    3.2197    2.5841 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$
COVPDB1401
  Mrv2015 05262116103D          

 30 31  0  0  1  0            999 V2000
   -0.2245   -4.7649    2.1489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1756   -3.4386    1.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6316   -2.9523    0.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6796   -1.5710    0.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0698   -0.6513    1.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8769   -1.1578    2.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9396   -2.5404    2.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    0.8132    1.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8408    1.2492   -0.2154 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7965    2.6668   -0.4548 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1921    3.3302   -1.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220    2.7246   -1.5028 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0389    4.7654   -1.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2813    5.7709   -0.2960 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6125    7.1910   -0.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9200    5.8454    0.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2736    0.8730   -0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8124    0.3298   -1.1156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9773    1.1082    1.0272 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3323    0.7338    1.3091 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5870   -0.7007    1.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6528   -1.5441    1.9497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3552    1.6757    0.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4389    3.0234    1.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8697    4.1727    0.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0219    5.4394    1.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7263    5.5745    2.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8825    6.7853    3.0286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2766    4.4376    3.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1312    3.1736    2.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  1  0  0  0  0
 27 29  4  0  0  0  0
 29 30  4  0  0  0  0
 24 30  4  0  0  0  0
M  END
$$$$
COVPDB1402
  Mrv2015 05262116113D          

 38 39  0  0  1  0            999 V2000
    4.7241    6.4966   -3.6401 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3833    5.8715   -2.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3419    5.7231   -1.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9975    5.0962   -0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6859    4.6095   -0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7393    4.7405   -1.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0834    5.3678   -2.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2906    3.9545    1.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1116    2.4110    1.0684 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4330    1.7487    0.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667    1.0791   -0.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4012    1.7710    2.1309 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0673    1.9610    2.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3826    2.8338    1.8434 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4016    1.0529    3.3907 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1413    0.9635    4.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5281   -0.0324    5.7989 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8948    0.3784    6.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4774   -0.1868    7.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3664   -0.2087    2.7149 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7394   -0.8687    2.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8868   -0.4304    2.5266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6362   -2.0877    1.4208 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1497   -1.7122    0.1338 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6263   -2.5506   -0.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5865   -3.7937   -0.6673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2622   -2.0003   -2.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2956   -1.2655   -3.0403 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9987   -1.0205   -4.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7423    0.0766   -2.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7912   -2.7309    1.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2591   -3.2717    2.6507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483   -2.6978    3.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7209   -3.1727    4.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0261   -4.2514    5.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3596   -4.7165    6.4361 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9772   -4.8635    4.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5972   -4.3780    3.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  1  0  0  0  0
 35 37  4  0  0  0  0
 37 38  4  0  0  0  0
 32 38  4  0  0  0  0
M  END
$$$$
COVPDB1403
  Mrv2015 05262116113D          

 31 34  0  0  1  0            999 V2000
   12.2769   -6.8260   -3.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7435   -6.4449   -1.7544 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8969   -6.8470   -0.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8388   -6.0134   -0.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9740   -6.4267    0.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1504   -7.6995    1.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2059   -8.5368    0.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0948   -8.0927   -0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3797   -9.7686    1.4432 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6131  -10.7950    0.7857 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0377   -5.6300    1.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2077   -4.9015    1.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3340   -4.1296    2.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1439   -3.9640    3.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0901   -3.0700    3.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7483   -4.4814    4.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7770   -5.3470    4.6532 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2534   -4.0788    5.8907 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2095   -3.2076    5.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6286   -2.7007    4.8707 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4356   -3.3420    1.5312 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962   -2.7132    2.4073 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6448   -1.7797    2.0970 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -0.5110    1.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8566    0.0218    0.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0246   -1.1303    0.4989 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5515   -2.3046    1.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8268   -1.1283   -0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2288   -2.2248   -0.3385 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2408    0.0205   -0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0143    0.1022   -1.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  3  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 14 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 13 21  4  0  0  0  0
 21 22  4  0  0  0  0
 15 22  4  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
$$$$
COVPDB1404
  Mrv2015 05262116053D          

 19 20  0  0  0  0            999 V2000
   -9.0718    0.1771   -5.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1572    0.8090   -4.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6374    1.1462   -3.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7859    1.7437   -2.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4420    2.0593   -2.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9713    1.7305   -4.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8105    1.0952   -4.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6299    2.7529   -1.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2008    3.7491   -1.2881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216    2.4428   -1.4222 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6112    1.2497   -1.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8533    0.5102   -0.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1518    1.4738    0.1027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0267    2.4838    0.6661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5773    3.3109   -0.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7712    1.5111    0.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2705    2.4280    0.9825 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1732    0.5469   -0.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8859    0.8484   -0.0290 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
$$$$
COVPDB1405
  Mrv2015 05262116053D          

 20 21  0  0  0  0            999 V2000
  -10.3695   -0.1342    0.9984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2923    0.6845    0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9370    0.3945    0.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9117    1.1638    0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2166    2.2404   -0.7677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5655    2.5302   -1.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5931    1.7589   -0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9138    3.2135   -1.4758 S   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0748    4.7469   -1.0313 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9981    3.1428   -3.0767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3639    2.5579   -0.9101 N   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5690    1.8149   -1.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4891    0.9581   -1.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7551    1.6371   -0.1489 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4836    2.5724    0.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5485    3.4263   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4387    1.2902    0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1406    1.8618    1.1164 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3391    0.2456   -0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9180   -0.1368    0.1279 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$
COVPDB1406
  Mrv2015 05262116053D          

 17 18  0  0  0  0            999 V2000
    1.7268    1.1920    1.4286 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1886    1.8299    0.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281    1.3559   -0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2569    2.1912   -1.4339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2971    0.0290   -0.7437 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6543   -0.4578   -1.9005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9318   -0.8206   -2.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8272   -0.6858   -1.3152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2643   -1.3746   -3.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1984   -1.5567   -4.8216 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5015   -1.9141   -3.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5682   -2.4413   -5.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3688   -2.3557   -5.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7832   -3.0720   -5.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6811   -3.3554   -7.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2718   -3.8654   -7.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1605   -2.8615   -7.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 10 13  4  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
$$$$
COVPDB1407
  Mrv2015 05262116053D          

 17 18  0  0  0  0            999 V2000
    1.7572    0.6079   -0.5471 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1025    0.0981   -0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9460    1.1464   -0.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5618    2.2524   -0.8020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2876    0.9772    0.0038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8342   -0.2764    0.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625   -0.6586   -0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0972    0.4533   -0.1665 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5554    1.6677   -0.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2369    2.0805   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3875    0.4194    0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0213    1.5003    0.4660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1206   -0.7128    0.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4914   -0.7420    1.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8280   -2.0253    1.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6580   -2.7644    1.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6494   -1.9637    1.0855 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
M  END
$$$$
COVPDB1408
  Mrv2015 05262116053D          

 21 22  0  0  0  0            999 V2000
   -3.7702    7.9170   -5.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2325    6.8134   -4.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2908    5.9923   -3.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7095    4.9626   -2.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0790    4.7061   -2.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0472    5.5129   -3.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5119    5.3065   -3.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6042    6.5558   -4.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5615    3.3897   -1.6258 S   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4850    3.9789   -0.4521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4678    2.3350   -2.4287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2659    2.4593   -0.8424 N   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4803    1.5522   -1.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6563    0.5605   -0.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8772    1.2799    0.1333 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6659    2.1197    1.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4714    3.1588    0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4878    1.1959    0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1169    1.9016    1.0785 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3433    0.2969   -0.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0705    0.2853   -0.2539 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  2  8  4  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$
COVPDB1409
  Mrv2015 05262116143D          

 15 15  0  0  0  0            999 V2000
   -5.9026   -2.0178    0.8162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8026   -2.9230    0.2564 B   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1331   -4.3546   -0.1749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3515   -2.3488    0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2413   -2.9872    0.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9444   -2.4777    0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7482   -1.3239   -0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8658   -0.6804   -0.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1615   -1.1951   -0.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5465   -0.8102   -0.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1654   -1.3665   -1.5330 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1020    0.2568    0.1009 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4823    0.8300    1.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3545    0.8461   -0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6039    0.0715    0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
$$$$
COVPDB140
  Mrv2015 05262115463D          

 29 30  0  0  1  0            999 V2000
   -3.6188   -3.7180   -6.3052 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.0004   -2.7968   -5.5152 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.4923   -2.8289   -4.4634 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9091   -1.8670   -5.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4744   -1.8457   -7.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3934   -0.8538   -7.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7676    0.1650   -6.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2620    0.1225   -5.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3418   -0.8680   -4.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6477    1.1444   -7.0376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9306    2.4166   -7.7031 P   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0810    1.9884   -8.8251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1271    3.5188   -8.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0648    2.9752   -9.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1095    4.0443   -9.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1523    3.5141  -10.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1819    4.6028  -11.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2239    4.0842  -12.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9870    3.1127   -6.6002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6488    3.7531   -5.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6246    4.2572   -4.4222 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6898    5.3363   -5.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3623    4.7915   -3.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4434    5.3172   -2.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8169    4.4445   -1.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9183    4.9433   -0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6279    6.3182   -0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2357    7.1948   -1.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1449    6.6999   -2.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
$$$$
COVPDB1410
  Mrv2015 05262116153D          

 37 39  0  0  1  0            999 V2000
    0.0468   -3.2617    7.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5461   -4.6540    7.1527 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1810   -5.7658    7.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0810   -4.7640    7.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3545   -4.6821    5.7166 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1864   -5.6465    4.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6445   -6.7249    5.3404 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2516   -5.5266    3.5439 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2124   -4.4387    2.7283 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4484   -4.8453    1.8180 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6339   -5.2977    2.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9246   -3.5989    1.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1583   -6.0201    0.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9812   -3.8939    2.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4614   -4.5812    1.0706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6070   -2.6922    2.3028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3504   -1.9082    3.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4391   -0.8228    3.5456 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2490   -0.9385    2.2438 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9502   -1.1525    3.6073 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4291   -2.5798    3.9926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8718    0.0015    4.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5784   -2.0761    1.4380 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9060   -1.5441    0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3059   -1.9107   -0.9043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8637   -0.6743    0.3810 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0572   -0.0324   -0.6179 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7798   -0.9914   -1.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1954   -1.8473   -2.1025 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1976   -0.9936   -1.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8206   -1.8964   -2.0204 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9563   -0.0556   -0.8199 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8533    0.9260   -1.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5265    2.1076   -0.7934 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2346    3.1448   -1.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    4.2484   -1.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5783    3.2196   -0.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 16 23  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 27 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
$$$$
COVPDB1411
  Mrv2015 05262115513D          

 22 23  0  0  1  0            999 V2000
    3.9856    2.5446   -0.2329 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0795    3.0174    0.7596 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1832    4.5242    1.0253 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4932    5.2430   -0.1697 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7596    4.8765    1.5402 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8942    3.7666    1.2166 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6022    2.8794    0.3419 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0596    1.4327    0.4454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207    1.4061    0.0332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0191   -0.0321    0.0386 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2869   -0.9946   -0.9864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9384   -0.6686    1.4875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4258    0.1126   -0.3530 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7701    5.2236    2.9563 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0260    6.5194    3.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4157    8.0860    2.0759 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483    6.8588    4.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8251    5.8474    5.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8476    6.0942    6.8933 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5985    4.5837    5.2467 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5732    4.2660    3.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3676    3.0537    3.6849 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
  5 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  1  0  0  0  0
 15 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  2  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 14 21  4  0  0  0  0
 21 22  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  20
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1412
  Mrv2015 05262115543D          

 48 51  0  0  1  0            999 V2000
   -0.3184    0.0079   -0.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1851   -0.0557   -0.2217 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8969    1.2289   -0.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3052    0.0097    1.2198 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8020   -1.0065    1.8212 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2088   -1.5951    2.8948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3600   -1.1454    3.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2698   -0.5863    2.8986 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5499   -1.3082    4.8997 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7457   -0.9776    5.6146 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8314   -1.6307    7.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9143   -2.4050    6.5079 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6510   -3.4170    7.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3845   -3.7904    8.2061 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6184   -4.0368    6.3139 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4819   -5.4216    6.8409 S   0  0  1  0  0  0  0  0  0  0  0  0
    8.6522   -4.9930    7.8483 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4772   -6.4111    7.6059 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1096   -6.2669    5.4894 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3586   -6.9303    4.6767 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1525   -7.6203    3.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6391   -8.4934    2.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5881   -9.3935    3.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0925  -10.2293    2.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1686  -11.0357    2.3833 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6376  -10.1523    0.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1615  -10.9206   -0.1823 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6932   -9.2521    0.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1556   -8.4646    1.5999 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4439   -7.3301    4.1296 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6390   -7.9106    3.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3678   -7.0172    2.5253 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7913   -5.7897    3.1145 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6206   -7.7177    1.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2781   -8.9037    1.2308 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3979   -6.4575    5.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3873   -5.9612    5.7439 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8969   -1.8254    5.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5932   -1.9620    4.2766 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4579   -2.7122    3.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5136   -3.3370    2.4943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1901   -4.6590    3.4247 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -4.3895    4.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1469   -5.1108    5.9550 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6070   -3.3213    4.5255 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8952   -1.2641   -0.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2929   -2.1671   -1.5616 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0842   -1.4908   -0.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  2  0  0  0  0
 24 26  4  0  0  0  0
 26 27  1  0  0  0  0
 26 28  4  0  0  0  0
 28 29  4  0  0  0  0
 22 29  4  0  0  0  0
 21 30  4  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 30 36  4  0  0  0  0
 19 36  4  0  0  0  0
 36 37  2  0  0  0  0
 12 38  1  0  0  0  0
 10 38  1  0  0  0  0
 38 39  2  0  0  0  0
  6 40  1  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  1  0  0  0  0
 43 45  4  0  0  0  0
 40 45  4  0  0  0  0
  2 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  29
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1413
  Mrv2015 05262115563D          

 12 12  0  0  0  0            999 V2000
    5.3324    0.2784    2.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    0.0443    1.6413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9474    0.0018    2.4877 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6790   -0.2149    2.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3738   -0.3980    0.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -0.6238    0.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6016    0.5438   -0.2462 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4510   -0.3593   -0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2758   -0.5235   -1.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1691   -0.5305   -2.2242 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7755   -0.1562    0.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8525   -0.1449   -0.5748 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  4  0  0  0  0
  2 11  4  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$
COVPDB1414
  Mrv2015 05262115513D          

 24 25  0  0  1  0            999 V2000
    2.8854    0.9902   -9.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0626    0.9341   -7.9432 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1605    0.4369   -7.6120 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1020    1.4043   -6.9634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0671    2.2542   -7.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1084    2.7664   -6.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8042    3.5223   -6.9659 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1700    2.4481   -5.2611 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1458    1.6491   -4.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    1.4862   -3.5412 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1206    1.0965   -5.5960 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1258    0.2016   -4.9995 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7197   -0.4296   -3.7660 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7138   -0.2119   -2.7544 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0694   -0.0913   -1.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2184   -1.2327   -1.1383 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2753   -1.1191    0.1442 P   0  0  1  0  0  0  0  0  0  0  0  0
    2.1576   -0.8225    1.4245 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2702    0.0865   -0.0684 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5287   -2.3685    0.3222 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786    1.0551   -3.1846 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7860    1.1354   -2.6133 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4864    0.9001   -4.7088 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5965    0.0858   -5.0983 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  2  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  2  0  0  0  0
  9 11  4  0  0  0  0
  4 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 12 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  CHG  2  18  -1  19  -1
M  STY  1   1 DAT
M  SAL   1  1   8
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1415
  Mrv2015 05262116023D          

 21 22  0  0  1  0            999 V2000
    3.9868    2.5535   -0.2051 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650    3.0141    0.7767 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1874    4.5148    1.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7677    4.8923    1.5476 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8890    3.7940    1.2085 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5937    2.8955    0.3360 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0435    1.4522    0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    1.4189    0.0424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -0.0339    0.0424 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2526   -0.9712   -0.9841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9181   -0.6734    1.4885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4220    0.0714   -0.3501 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7649    5.2170    2.9683 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5709    4.2322    3.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5986    4.5146    5.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4118    3.5656    6.1631 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8351    5.8431    5.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739    6.1687    6.8860 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0293    6.7938    4.7327 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0006    6.5010    3.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2094    7.4615    2.6292 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  1  0  0  0  0
 15 17  4  0  0  0  0
 17 18  2  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 13 20  4  0  0  0  0
 20 21  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  19
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1416
  Mrv2015 05262115533D          

 22 23  0  0  1  0            999 V2000
    3.9904    3.1558    0.6842 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8700    2.9405    1.5414 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5208    2.8844    0.7922 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1379    1.4709    0.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2518    1.4694   -0.1008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9477    0.0357   -0.2157 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1395   -0.8806   -1.2219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9476   -0.6678    1.2042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3298    0.2007   -0.6782 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5190    3.3682    1.7027 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1276    3.9716    2.8596 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6384    4.0908    2.5241 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9207    5.3114    1.9440 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8507    3.3067    4.1323 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687    3.9413    5.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0256    5.8140    5.4408 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966    3.3440    6.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2801    2.0866    6.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0050    1.5134    7.6540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0303    1.4873    5.4076 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2437    2.0689    4.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1113    1.3843    3.2297 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  1  0  0  0  0
 15 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  2  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 14 21  4  0  0  0  0
 21 22  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  20
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1417
  Mrv2015 05262116053D          

 28 29  0  0  1  0            999 V2000
   -2.6381    1.2444   -1.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7973    1.0609   -2.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2415   -0.2454   -2.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5628   -1.2948   -2.4181 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4525   -1.1475   -1.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9285    0.1376   -1.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6556    0.2531   -0.5758 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2574    1.6304   -0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587    2.2620    0.5835 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9392    2.1844   -0.5157 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4601    3.4917   -0.2014 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7176    3.6288    1.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5083    4.6200   -0.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8201    3.5999   -0.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444   -0.4898   -1.2151 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8249   -0.2813   -2.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6659   -1.0475   -3.0909 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3304    0.7292   -3.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3059    0.6890   -4.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1314   -1.4482   -0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6540   -2.3217    0.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7201   -3.1168    0.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7942   -2.7019    0.2068 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4449   -1.7300   -0.5905 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7305   -4.2111    1.9414 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6188   -3.5838    3.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444   -5.2029    1.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0707   -5.0126    1.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 15 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 20 24  4  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
$$$$
COVPDB1418
  Mrv2015 05262116053D          

 33 35  0  0  1  0            999 V2000
   -0.2222   -0.7971   -0.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4407   -0.0831   -0.3166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3299    0.6470    0.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9109    1.9882    0.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6728    2.6876    1.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8580    2.0642    3.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4115    0.7525    3.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7720    0.0319    4.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6137    0.0523    2.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4909    2.6572    4.4263 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6194    3.4125    4.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3753    3.8112    3.7713 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0570    3.7035    6.0863 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4317    3.2479    6.3571 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8910    1.9243    6.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9217    1.5990    6.9119 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3344    0.9133    5.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4661   -0.4017    5.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3802    4.1970    6.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480    5.1757    7.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5643    5.8535    7.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2548    5.2942    6.5951 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5611    4.3253    6.0653 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0989    6.9654    8.4655 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5124    6.5489    8.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1860    7.2778    9.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2123    8.2468    7.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0962    3.2809    7.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2235    1.9246    7.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1216    1.5538    8.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7269    2.5602    9.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4308    3.8585    8.9580 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5601    4.2389    7.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  3  9  4  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 19 23  4  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 13 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
M  END
$$$$
COVPDB1419
  Mrv2015 05262116053D          

 33 35  0  0  1  0            999 V2000
    7.9431    2.1660   -0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6774    2.6951    0.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5458    3.0516   -0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7801    4.0585   -1.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7930    4.4255   -2.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5364    3.8142   -2.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2385    2.8286   -1.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8516    2.2823   -1.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2541    2.4421   -0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9977    1.5880    0.7138 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4341    0.3487    0.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2985   -0.2629   -0.3833 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9788   -0.3104    1.9734 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0782   -0.6929    2.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0174   -0.4848    4.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0059   -0.9916    5.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0838   -1.7059    4.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1529   -1.8831    3.3116 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2075   -1.4111    2.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7852    0.3589    2.5319 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6962   -0.4444    2.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1186   -0.6425    1.8623 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5742   -1.1063    4.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793   -2.1948    4.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    1.7445    2.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7804    2.4937    3.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6583    3.9306    3.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4562    4.5388    2.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4301    3.7660    2.3903 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4355    2.4158    2.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3122    6.0335    2.8628 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0566    6.5513    2.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3403    6.6324    4.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  3  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 20 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
$$$$
COVPDB141
  Mrv2015 05262116023D          

 16 15  0  0  0  0            999 V2000
    3.2435   -7.2765   -3.9009 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4173   -6.8422   -3.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5338   -7.7515   -4.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6717   -5.5559   -3.4499 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6808   -4.5653   -3.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3607   -3.2503   -2.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1320   -1.9127   -2.6173 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9936   -0.5572   -1.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0952   -0.7493   -1.3366 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    0.8003   -1.9423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0366    0.8583   -1.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1081    1.2327   -2.1504 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7027    0.4605   -0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2387    1.4301    1.0956 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9550    0.8502    2.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6518    2.8643    0.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
$$$$
COVPDB1420
  Mrv2015 05262116053D          

 33 35  0  0  1  0            999 V2000
    7.4060    1.9913    0.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3524    2.8737    1.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2948    3.3462    0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5955    4.4583   -0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6529    4.9632   -1.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3856    4.3743   -1.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0416    3.2605   -0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6549    2.7278   -0.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0177    2.7239    0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7505    1.6601    1.3010 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2956    0.4271    0.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3120    0.1017   -0.2572 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8102   -0.5692    1.9691 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7370   -0.1748    2.9006 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4219    1.1492    3.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2703    1.5504    2.8489 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2744    2.0052    3.8257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    3.3335    3.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9343   -1.1169    3.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6050   -2.4291    3.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2863   -3.0395    4.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3380   -1.9809    4.9601 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3410   -0.8362    4.7368 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9569   -4.3709    4.0475 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4591   -4.7344    2.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0619   -5.4462    4.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1859   -4.3300    5.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9584   -1.2536    2.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8327   -0.5698    3.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8700   -1.2441    4.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0414   -2.6189    3.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2257   -3.2601    3.0970 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2183   -2.6319    2.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  3  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 19 23  4  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 13 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  22
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1421
  Mrv2015 05262116023D          

 11 10  0  0  1  0            999 V2000
    3.0187   -0.2134    0.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7046   -0.6273    1.1178 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2811   -1.9640    0.6786 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6073    0.3407    0.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1100    0.9339    1.8741 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1430    0.5710   -0.3763 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9457    1.4396   -0.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9987    1.7763   -2.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2287    2.6626   -2.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3322    3.0440   -4.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9078    4.1219   -4.3448 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$
COVPDB1422
  Mrv2015 05262116113D          

 20 21  0  0  1  0            999 V2000
    3.9931    2.5760   -0.2268 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783    3.0163    0.7726 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1952    4.5187    1.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7729    4.8929    1.5478 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8992    3.7884    1.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6020    2.8914    0.3463 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0503    1.4481    0.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3325    1.4164    0.0353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0190   -0.0297    0.0388 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2742   -0.9814   -0.9872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9324   -0.6682    1.4869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4274    0.1018   -0.3534 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7664    5.2212    2.9656 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5702    4.2361    3.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5945    4.5165    5.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8320    5.8413    5.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8697    6.1503    6.8867 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0242    6.7956    4.7326 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9974    6.5056    3.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2060    7.4656    2.6273 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  2  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 13 19  4  0  0  0  0
 19 20  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  18
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1423
  Mrv2015 05262115593D          

 19 20  0  0  0  0            999 V2000
   -3.4500   -0.0311    0.7056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7699   -0.6160   -0.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3492   -0.7894   -1.4019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3774   -1.0415   -0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5266    0.0984    0.0133 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8369    0.0586    0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4112   -1.0495   -0.1296 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5889    1.2581    0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052    2.4252    0.2655 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4727    3.6455    0.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985    4.9486    0.5546 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8833    3.7600    0.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5480    5.0007    0.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9506    5.0642    0.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7110    3.8937    0.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0697    2.6554    0.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6561    2.5674    0.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0047    1.3170    0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7499    0.1862    0.0287 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  4  0  0  0  0
  8 18  4  0  0  0  0
 18 19  1  0  0  0  0
M  END
$$$$
COVPDB1424
  Mrv2015 05262116053D          

 21 22  0  0  0  0            999 V2000
    1.6671    0.0906   -0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2700    0.3916   -0.4628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2986    0.8245    0.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4879    2.2012    0.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1249    2.6181    2.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5462    1.6741    3.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3334    0.3067    2.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7256   -0.0704    1.6275 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2046    2.1267    4.1642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0745    1.7563    5.4685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9487    2.2355    6.2268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0073    0.9042    6.0695 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6079   -0.4082    6.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5326   -1.2321    7.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0607   -0.4118    8.4505 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7561    0.7716    7.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2220    1.6877    7.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0607   -0.6927    9.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4892    0.0657   10.6473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8277   -1.8497   10.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8340   -2.0151   12.1095 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$
COVPDB1425
  Mrv2015 05262115523D          

 36 38  0  0  1  0            999 V2000
   -3.3750    7.8257   -6.7675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2843    7.9122   -7.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9956    7.3487   -7.0329 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2414    5.9635   -6.6867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1686    5.3079   -5.9677 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1131    5.9215   -4.6867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0792    5.9015   -3.6180 P   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4898    4.4068   -3.2861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2480    6.6231   -4.1351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5948    6.6554   -2.2950 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5883    5.9618   -1.4848 P   0  0  2  0  0  0  0  0  0  0  0  0
    0.9432    6.9133   -0.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7898    5.7902   -2.3095 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1181    4.5490   -0.9110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0218    4.5657   -0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2565    3.1124    0.4514 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0323    2.5493    0.9515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1995    2.1023    2.3094 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7302    1.9137    2.4882 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1033    0.5873    2.1099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3326    2.9676    1.5511 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6057    2.5733    1.0362 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4388    2.9455    3.3155 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0824    4.1151    2.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980    4.9199    3.9606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6509    4.4826    5.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1799    5.1544    6.2059 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0374    3.3162    5.5950 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4488    2.5582    4.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0613    1.4874    5.0375 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0993    5.2905   -6.8648 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1992    4.6768   -6.1929 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4683    6.7256   -7.3280 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5380    6.6692   -8.2697 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2484    7.4513   -7.9625 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5783    8.8155   -8.2280 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  2  0  0  0  0
 26 28  4  0  0  0  0
 28 29  4  0  0  0  0
 23 29  4  0  0  0  0
 29 30  2  0  0  0  0
  5 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
  3 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  28
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1426
  Mrv2015 05262116053D          

 20 21  0  0  0  0            999 V2000
   -3.8173   -0.1188   -4.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0042    0.0958   -6.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7225   -0.4784   -6.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2654   -1.2889   -5.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0861   -1.5213   -3.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3630   -0.9190   -3.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2002   -1.1453   -2.8066 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0003   -2.3516   -2.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3617   -0.2571   -1.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4270   -0.3682   -1.0830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4841    0.8751   -1.2673 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0540    1.0208   -1.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2226    2.1620   -1.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793    2.0355    0.2179 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4819    1.9842    0.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3419    0.8277    0.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0014    1.9928    0.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0463    1.7660    2.1909 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3501    2.2191    0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    2.4152    1.5355 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$
COVPDB1427
  Mrv2015 05262116053D          

  7  7  0  0  0  0            999 V2000
    1.1539   -0.0001   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0058    0.0007   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2882   -0.0001   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0542   -1.1055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3295   -0.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3366    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0590    1.0977   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  3  7  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   7
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1428
  Mrv2015 05262116053D          

  8  8  0  0  0  0            999 V2000
    1.1115   -0.0000   -0.0008 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0368   -0.0000    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3309   -0.0000    0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0166    0.0000   -1.1682 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3749    0.0000   -1.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0978    0.0000    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3683   -0.0000    1.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0104   -0.0000    1.1813 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
M  END
$$$$
COVPDB1429
  Mrv2015 05262116033D          

 12 13  0  0  1  0            999 V2000
   -0.1749    0.3944    1.2310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2730   -0.2181    0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2234    0.5682   -1.2265 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1784    2.0717   -1.1576 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1701    2.6685   -2.1525 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5807    2.3471   -0.7782 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1521   -0.0776   -2.6023 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0446   -1.4920   -2.5921 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5922    0.2563   -3.0808 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5714   -0.2747   -2.1901 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7940    1.7894   -3.2637 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2169    2.2023   -4.4991 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$
COVPDB142
  Mrv2015 05262115593D          

 16 16  0  0  1  0            999 V2000
   -4.1422    3.5697    0.9106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1094    2.6495   -0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6852    2.9860   -1.3059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4446    1.3230   -0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8828    1.3925   -0.1444 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2595    0.0103    0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1102   -0.0029    0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2579   -0.0237    0.2961 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3729    1.9741   -1.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3076    1.2084   -2.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8303    1.7716   -3.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4547    3.1290   -3.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5145    3.9015   -2.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9644    3.3282   -1.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0052    3.6938   -5.0303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    4.1297   -5.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  5  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$
COVPDB1430
  Mrv2015 05262116143D          

 27 26  0  0  1  0            999 V2000
    1.8389   -0.1680    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0232   -0.2464   -0.0819 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4825    1.4644    0.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069    1.6777    0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4465    3.1570    0.3379 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8639    3.3958   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1835    4.2914   -0.8369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1771    3.6612    1.6532 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7703    3.2902    2.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875    2.3391    2.8659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4716    4.0145    4.0906 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4166    5.5726    3.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6871    6.2187    3.2660 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4585    7.7103    2.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9557    6.0687    4.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2926    3.3956    4.6181 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7359    3.5965    5.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0786    4.5610    6.5718 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2049    2.5903    6.4024 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3184    2.1475    5.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414    1.0905    5.9436 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2215    1.6230    7.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2335    0.5473    4.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6060    1.4728    6.7835 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2540    1.3237    7.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931    2.1278    8.9219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966    0.2050    8.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
$$$$
COVPDB1431
  Mrv2015 05262116143D          

 42 44  0  0  1  0            999 V2000
   -1.1485    6.4129    2.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6068    7.4803    2.8243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    7.3228    3.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2936    6.0896    3.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7478    5.0177    2.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4789    5.1732    2.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0932    4.2270    1.2215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8146    2.9287    0.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1426    2.3060    1.4086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6547    2.3865   -0.0255 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6470    1.0923   -0.6584 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8912   -0.0672    0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0150   -1.4982   -0.5600 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3359   -2.5382    0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4257   -1.6015   -1.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0735    0.7579   -0.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5073    0.7139   -2.0645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9062    0.5480    0.1768 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3320    0.3893    0.1011 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8998   -0.1630    1.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3484   -1.5638    1.8829 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5469   -2.6868    0.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9807   -1.9779    3.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9714    1.6652   -0.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9960    1.5842   -1.0494 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3546    2.8630   -0.0851 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1562    3.9340   -1.0275 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3222    4.3382   -1.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9597    5.4278   -3.0544 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.1605    5.7848   -3.9715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8677    5.1056   -5.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4815    4.8517   -5.2725 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9622    5.0024   -4.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7466    4.8147   -3.8129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5284    5.1134   -0.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2679    5.2246   -0.5736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3679    6.0787    0.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4909    5.7841    0.8482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8712    7.4062    0.4686 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4807    8.6527    0.9657 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.4794    9.8088   -0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5421    9.8529    1.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  2  0  0  0  0
 27 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
$$$$
COVPDB1432
  Mrv2015 05262116143D          

 34 35  0  0  1  0            999 V2000
   -9.1855    0.7212    3.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2856    0.7199    2.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2663    1.5253    1.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1396    2.3302    1.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0920    2.3050    2.0404 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0639    1.5311    3.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8581    1.5657    4.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7211    1.1480    3.2602 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4294    1.1374    3.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1810    1.5254    4.8735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3569    0.6783    2.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1918    0.7430    3.3521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5366    0.0288    1.5550 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5976   -1.5185    1.7444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8776   -2.3111    0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9520   -3.8379    0.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4597    0.3642    0.6627 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5831    0.6257   -0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7141    0.6903   -1.2126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4048    0.8488   -1.5479 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.4521   -0.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2365   -1.0816   -0.7774 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6158   -1.3171   -0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1424   -1.9141   -2.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4339    2.1913   -2.0287 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3523    3.3377   -1.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1669    3.3310   -0.0593 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5868    4.5440   -1.8863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5406    4.8531   -3.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4846    5.7776   -3.7105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5246    6.0984   -5.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6095    5.5057   -5.9709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6428    4.6075   -5.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6036    4.2878   -4.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
M  END
$$$$
COVPDB1433
  Mrv2015 05262116143D          

 44 47  0  0  1  0            999 V2000
    1.3724   -0.0746    0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0613   -0.1692    0.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5651    0.5109    1.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6980   -0.1041    2.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1928    0.6218    3.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5715    1.9756    3.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4714    2.5695    2.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884    1.8478    1.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7621    3.8157    1.7511 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4839    3.9337    0.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0127    2.7001   -0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5559    5.1161   -0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2693    5.0835   -1.5429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8011    6.3004    0.3039 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4661    7.5901   -0.2368 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1695    8.7186    0.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7222    8.5789    0.7269 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2953    9.7157    1.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4802    8.5424   -0.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0168    7.7756   -0.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4758    8.7395   -0.9215 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8226    6.8574    0.3540 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069    6.5366    0.1763 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9801    7.2745   -0.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3471    6.6479   -1.3893 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0898    7.5141   -2.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8677    6.8027   -3.8006 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4546    5.5070   -3.4288 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1915    5.3798   -2.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8433    4.2900   -1.6166 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8681    6.5592    1.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1126    5.4655    2.0729 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2183    7.7951    2.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6131    7.7257    2.5481 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4285    8.6646    3.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9078    9.7870    3.3277 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8160    8.3963    3.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5266    9.4255    4.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8761    9.3103    4.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6202    8.1711    4.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9313    7.1150    3.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5083    7.1727    3.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7828    6.1414    2.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2025    5.2712    2.0580 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  8 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  2  0  0  0  0
 23 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 37 42  4  0  0  0  0
 42 43  1  0  0  0  0
 43 44  3  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   9
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1434
  Mrv2015 05262116143D          

 37 39  0  0  1  0            999 V2000
   -3.4994    4.3250   -4.7893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6916    5.1519   -4.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3021    6.2482   -4.9643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4086    7.0440   -4.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9623    6.1076   -3.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0927    5.0530   -2.9680 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1504    5.3326   -1.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7040    5.1727   -0.3535 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9748    3.9195   -0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5787    2.7444    0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9227    1.5278    0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6173    0.4986    0.3936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586    1.4091    0.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1743    0.1739    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6854    0.4127   -0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9533    6.2550    0.2316 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4146    7.5241    0.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5310    7.8898    0.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6783    8.4741    1.3280 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1390    8.5617    1.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6265    9.6248    1.9354 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1847   11.0905    1.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    9.5110    1.7515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9377    8.0302    2.6673 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5213    8.7499    3.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8924    9.9343    3.4877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931    8.1605    4.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6480    6.8384    5.1906 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9172    8.8343    6.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9785    7.8717    7.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8325    6.6365    6.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1292    7.9708    8.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1544    9.1824    9.1700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4736    9.6961    9.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1811    6.7658    9.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0637    5.5122    8.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8739    5.4382    7.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  4  0  0  0  0
 27 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 28 31  4  0  0  0  0
 30 32  4  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 32 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 31 37  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  28
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1435
  Mrv2015 05262115463D          

 16 16  0  0  1  0            999 V2000
   -0.9563   -2.3238    3.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0066   -2.4672    2.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0446   -3.1241    2.5994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2731   -1.8725    1.2224 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6038   -1.8287    0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1924   -1.4685   -1.1934 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1211   -2.7314   -1.7167 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8011   -4.1778   -1.3249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3492   -2.4540   -2.5855 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6826   -0.9725   -2.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6969   -1.7833   -2.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5377   -1.2846   -3.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3781    0.0315   -4.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4099    0.6375   -5.5507 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3656    0.8455   -3.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5270    0.3448   -2.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
 13 15  4  0  0  0  0
 15 16  4  0  0  0  0
 10 16  4  0  0  0  0
M  END
$$$$
COVPDB1436
  Mrv2015 05262116073D          

 32 34  0  0  1  0            999 V2000
   10.3771    1.8759    3.3628 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.4207    0.4853    3.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6607   -0.6279    4.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8778   -1.8017    3.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8440   -1.8324    2.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6009   -0.7230    2.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3885    0.4348    2.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1664   -3.0139    4.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0454   -3.9990    3.9378 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3491   -3.4524    3.7929 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2874   -4.3545    4.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5017   -4.0675    4.0423 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7419   -5.5471    4.4602 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3234   -5.3887    4.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4735   -6.7947    4.5809 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0273   -7.7488    5.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3618   -7.2921    7.2001 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8877   -7.1098    7.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7878   -8.3061    8.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4312   -7.4778    3.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3421   -8.0009    2.9216 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3888   -7.6190    2.2804 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7518   -7.1790    2.1003 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.4191   -8.3134    1.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8643   -8.2097    0.2607 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6138   -6.7046    3.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0730   -6.2223    3.0191 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.8005   -5.7893    4.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5423   -4.2713    4.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3227   -3.9037    3.0847 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1065   -4.9517    2.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9340   -4.8447    1.0431 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
$$$$
COVPDB1437
  Mrv2015 05262116053D          

 33 34  0  0  1  0            999 V2000
    2.3666    1.7759   -4.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0583    1.9833   -3.2776 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0465    1.0178   -3.7936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3453    1.8662   -1.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1973    2.2268   -0.7345 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7907    1.2014   -0.7643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0553    0.2641    0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3486    0.0773    1.1872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1985   -0.4283   -0.0664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8884   -1.4138    0.7158 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1006   -1.7401   -0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0409   -0.7288   -0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1933   -1.0172   -1.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4202   -2.3253   -1.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4857   -3.3415   -1.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7505   -4.9052   -1.9394 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3360   -3.0486   -0.5825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2270   -0.8874    2.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2269   -1.7724    2.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4193   -1.3962    4.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5162   -0.3404    4.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0702    1.1451    4.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0629    1.6362    3.4102 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5952    2.8475    3.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1936    3.6988    3.8382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5406    3.1580    1.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0937    3.4522    1.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9006    3.3970   -0.4864 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9775    4.1002   -1.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7244    3.4951   -2.0197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6723    4.0464   -0.8575 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3806    3.5929   -0.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4273    4.5185   -1.1819 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  1  0  0  0  0
 15 17  4  0  0  0  0
 11 17  4  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
  5 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
$$$$
COVPDB1438
  Mrv2015 05262116013D          

 42 44  0  0  1  0            999 V2000
    0.9942    5.0162   -1.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9270    4.5637   -0.3664 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3537    4.1955    0.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3199    5.6885    0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1816    3.3345   -0.2427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1116    3.0148   -0.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9052    3.8933   -0.9465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6136    1.7532   -0.4342 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9993    0.5127   -0.0233 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4758    0.5709    0.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1544   -0.8167    0.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0629   -0.8969    1.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164   -2.0454    2.3344 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3245   -1.6861    3.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4534    0.1161    2.6801 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2160   -0.3608    3.6070 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9727   -0.1204    0.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0963   -0.4420    0.4600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.3578    2.2339 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5865   -0.9596    3.1892 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8367   -2.5029    3.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6373   -3.3765    2.4992 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8491   -3.8059    1.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6741   -4.6454    0.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793   -5.8787    1.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1787   -5.4822    2.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3701   -4.6450    3.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1283   -0.6302    4.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9662   -0.1616    5.3724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8420   -0.8711    4.9604 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3490   -0.7157    6.3014 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3861    0.7012    6.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0605    1.0539    7.7305 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0940   -1.2839    6.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5879   -1.4478    7.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0343   -1.7736    7.9926 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001   -0.8898    8.4407 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6442   -2.9531    7.6795 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0608   -4.1707    7.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7261   -4.6758    5.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3158   -3.9276    4.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0741   -2.5973    4.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 12 15  4  0  0  0  0
 15 16  4  0  0  0  0
 14 16  4  0  0  0  0
  9 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 20 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 14 42  1  0  0  0  0
M  END
$$$$
COVPDB1439
  Mrv2015 05262116053D          

 43 45  0  0  1  0            999 V2000
    1.2451    4.0858   -1.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0817    4.0798   -0.1563 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4392    3.6967    0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6215    5.4746    0.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628    3.0388    0.2418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1660    2.8806   -0.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8053    3.7293   -0.7066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8624    1.7856    0.3483 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3881    0.6616    1.1053 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1682   -0.0669    0.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2697   -1.6253    0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7355   -2.3557    1.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0527   -2.1155    0.9534 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6138   -2.8731    1.9134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5225   -3.2935    1.9995 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6678   -3.6084    2.5203 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2776    1.0603    2.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103    0.9086    3.2377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1704    1.6743    3.0755 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138    2.3662    4.3474 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9906    1.7916    5.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9009    0.1931    5.6828 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5291   -0.3309    6.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5546   -1.8337    6.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4817   -2.1618    7.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9015   -1.7241    7.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9359   -0.2212    6.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0822    3.8335    4.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0393    4.2380    3.3223 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7648    4.8688    4.3472 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9234    4.9661    5.1892 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9271    6.3429    5.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8194    6.5593    6.9563 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2311    4.6597    4.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5329    4.6068    5.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243    3.6702    4.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9861    3.8973    3.5424 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250    2.5251    5.3623 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3591    1.3354    4.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2726    0.7215    3.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4159   -0.7882    3.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2246   -1.1976    2.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0209   -2.7118    2.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 12 15  4  0  0  0  0
 15 16  4  0  0  0  0
 14 16  4  0  0  0  0
  9 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 20 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 14 43  1  0  0  0  0
M  END
$$$$
COVPDB143
  Mrv2015 05262115543D          

  7  6  0  0  0  0            999 V2000
    0.7078    3.1486   -0.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0155    1.6505   -0.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3161    0.9260    0.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4906    0.0739    0.8221 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4856    1.1339    1.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6606    0.4816    2.3526 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3927    1.9117    0.8027 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
$$$$
COVPDB1440
  Mrv2015 05262116143D          

 41 45  0  0  1  0            999 V2000
    1.7389   -0.6860    0.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4837   -0.0775    0.0024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1744    0.4196    1.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0748   -0.3730    1.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7445    0.1702    2.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5370    1.5133    3.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6357    2.2850    2.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0213    1.7544    1.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2394    3.5569    2.7509 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6358    3.8949    1.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8177    2.7657    0.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2631    5.1522    1.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2637    5.2149    0.8432 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8794    6.3498    2.1212 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2791    6.6531    2.9159 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1972    8.1191    3.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1395    8.4977    4.1735 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0782    9.9303    4.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5737    7.4830    5.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5202    6.3475    2.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4698    5.7657    2.7304 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5280    6.5555    0.8036 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3532    5.8899   -0.1638 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1227    6.9163   -1.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9788    6.2610   -2.1860 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6481    7.3108   -3.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0432    6.7419   -3.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2462    5.7676   -2.4479 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1441    5.4737   -1.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1374    4.5657   -0.8946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4715    4.9736   -0.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7684    3.7575   -1.0106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2951    5.3979   -1.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    4.4079   -2.5409 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2239    6.6487   -1.5826 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4198    6.8325   -2.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9772    5.6980   -2.8090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1234    8.0496   -2.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3835    8.1007   -2.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9308    6.9430   -3.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2249    5.7224   -3.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  8 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  2  0  0  0  0
 23 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  4  0  0  0  0
 33 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 34 37  4  0  0  0  0
 36 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 37 41  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   9
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1441
  Mrv2015 05262115483D          

 18 19  0  0  0  0            999 V2000
    0.8299    4.4246   -6.8452 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0639    4.0479   -6.0205 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.4531    4.5226   -6.4537 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9090    3.0385   -4.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5947    1.4238   -4.7399 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1728    3.2379   -3.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1729    2.1517   -2.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8990    1.0306   -3.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5145    2.0981   -1.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5791    0.9249   -0.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3179   -0.1903   -1.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9855   -0.1457   -2.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1309    0.8438    0.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7409    0.4674    1.7051 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5920   -0.7367    2.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2913   -1.5782    2.0825 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7407    1.3248    2.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9536    2.4378    1.5876 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  5  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
$$$$
COVPDB1442
  Mrv2015 05262116023D          

  7  6  0  0  0  0            999 V2000
    4.0214    0.0405    0.4217 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3673   -1.1232    0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0551   -2.1697    0.1396 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9653   -1.1668   -0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4360   -2.2926   -0.1843 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793   -0.0158   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1613   -0.0080   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
$$$$
COVPDB1443
  Mrv2015 05262116013D          

 12 12  0  0  0  0            999 V2000
    0.1440   -5.6821    2.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1122   -4.2935    1.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -3.6689    1.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1417   -2.3471    1.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0526   -1.6093    0.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362   -0.2277    0.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9847   -0.1323   -1.2018 S   0  0  1  0  0  0  0  0  0  0  0  0
    0.8894   -1.5891   -2.0024 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3874    1.0115   -2.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5258    0.1794   -0.8897 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2734   -2.2285    1.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047   -3.5540    1.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  2  0  0  0  0
  5 11  4  0  0  0  0
 11 12  4  0  0  0  0
  2 12  4  0  0  0  0
M  END
$$$$
COVPDB1444
  Mrv2015 05262116003D          

 27 27  0  0  1  0            999 V2000
    0.7141    2.3319    0.9607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    3.0176    0.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1767    4.4625    0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1838    2.5029   -0.3520 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3597    1.1661   -0.8677 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7318   -0.0103   -0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -1.4739   -0.5655 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3220   -2.4931    0.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3769   -1.7003   -1.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8179    0.9759   -1.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2389    0.8805   -2.2647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6861    0.9350   -0.0247 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1106    0.7914   -0.1278 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6948   -0.1080    0.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7198    2.1438   -0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0473    2.4553   -1.4849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9650    3.1460    0.5807 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8307    3.1919    2.0077 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9588    4.4054    2.4819 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5672    4.4102    1.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7579    4.4170    4.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2124    3.1883    2.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5253    2.2691    3.3663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2566    4.1919    2.2303 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.8366    4.2560    0.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2650    4.3795    3.2401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3398    5.4588    3.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
$$$$
COVPDB1445
  Mrv2015 05262115553D          

 46 49  0  0  1  0            999 V2000
   -3.1408    3.1701   -8.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317    2.9395   -6.7023 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1297    3.6138   -6.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4868    1.4179   -6.3139 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7914    0.8474   -6.4557 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0907   -0.4373   -6.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2006   -1.2793   -7.0445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5103   -0.8444   -6.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3691   -0.1537   -7.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7762   -0.5966   -7.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4903   -0.3940   -6.6361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3321   -1.1696   -8.7332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9305    1.2256   -4.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7137    0.9242   -4.8737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5993    1.4594   -3.7383 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0235    1.4381   -3.5832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3012    1.6713   -2.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0372    2.3866   -1.6004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9202    1.8327   -2.5196 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1312    0.7556   -1.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0783    1.0974   -1.2804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5514   -0.5422   -1.8779 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9013   -1.6785   -1.2785 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7548   -1.5846    0.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0426   -1.3499    0.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3925   -0.0600    1.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5981    0.1521    2.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4724   -0.9220    2.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1400   -2.2092    1.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9363   -2.4211    1.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5845   -2.0770   -2.0789 P   0  0  2  0  0  0  0  0  0  0  0  0
    1.0199   -3.4145   -1.6546 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6804   -0.9894   -1.6392 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9047   -1.0036   -2.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8164   -2.0824   -2.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0490   -2.0332   -2.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3953   -0.8919   -3.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5213    0.2091   -3.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2850    0.1545   -2.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2830   -2.0489   -3.6565 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -2.4458   -4.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8280   -1.4812   -5.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8348   -1.8304   -6.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2902   -3.1584   -6.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7240   -4.1386   -5.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146   -3.7870   -4.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 23 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 34 39  4  0  0  0  0
 31 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 41 46  4  0  0  0  0
M  END
$$$$
COVPDB1446
  Mrv2015 05262115483D          

 40 43  0  0  1  0            999 V2000
    1.8167    2.6625    0.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3585    3.0365    1.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026    2.2757    2.5714 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2712    2.4432    2.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3180    2.0420    1.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3657    2.7338    0.1052 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3301    3.3890   -0.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5810    3.4846   -0.8451 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2978    3.9201   -1.9980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3320    4.6020   -3.0959 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7261    5.4305   -3.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3560    6.4747   -3.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6545    7.6669   -2.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1922    8.6112   -1.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4460    8.3805   -1.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1757    7.2232   -1.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6372    6.2804   -2.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1012    3.6556   -3.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1071    4.1090   -4.5440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7717    2.3296   -3.9913 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6312    1.2066   -4.2549 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8055    1.3231   -5.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4271    1.5728   -6.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6564    1.6254   -7.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3596    0.4377   -7.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5683    0.4889   -8.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0848    1.7280   -9.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3839    2.9127   -8.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750    2.8615   -8.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8058    0.0432   -4.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9677   -1.1552   -3.9762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0378   -2.5469   -4.4704 S   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0695   -3.6667   -3.3182 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929   -2.1334   -4.7329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7325   -3.1818   -5.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5628   -2.4545   -7.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1291   -2.9211   -8.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8662   -4.1194   -8.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448   -4.8448   -7.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4785   -4.3790   -5.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 10 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
 21 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 35 40  4  0  0  0  0
M  END
$$$$
COVPDB1447
  Mrv2015 05262115413D          

 43 46  0  0  1  0            999 V2000
   -0.6750    2.0503   -0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3518    2.9954   -0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6860    2.5718   -0.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9973    1.2026   -0.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9722    0.2564   -0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3802    0.6672   -0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4548   -0.3428    0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3538   -1.2820   -0.9740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0704   -2.4285   -1.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9521   -2.7366   -0.2608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7331   -3.2454   -2.1302 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2124   -4.5858   -2.3122 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7167   -5.1490   -3.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4211   -4.5162   -4.8341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7858   -4.8122   -5.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4851   -4.2095   -6.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8236   -3.3090   -6.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4653   -3.0103   -6.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7698   -3.6062   -5.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8098   -5.4055   -1.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7819   -5.8818   -0.4525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4442   -5.4280   -0.7973 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0055   -5.6014    0.5961 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3515   -6.9729    1.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0986   -8.2747    0.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2141   -9.4879    1.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4618   -9.7153    2.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1365  -10.8151    3.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8554  -11.7224    2.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5118  -11.5340    1.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1938  -10.4255    0.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4512   -5.4041    0.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0726   -4.4715    1.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8057   -4.3405    1.3665 S   0  0  2  0  0  0  0  0  0  0  0  0
    4.2527   -3.2101    2.4163 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3631   -3.9385   -0.0845 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5299   -5.9454    1.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9791   -5.7795    2.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8719   -5.6216    1.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2425   -5.4097    1.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7412   -5.3643    2.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8683   -5.5309    3.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4941   -5.7371    3.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 12 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 26 31  4  0  0  0  0
 23 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  2  0  0  0  0
 34 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 38 43  4  0  0  0  0
M  END
$$$$
COVPDB1448
  Mrv2015 05262115413D          

 46 49  0  0  1  0            999 V2000
   10.8982    6.3630   -6.6290 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7079    6.5320   -6.2136 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.3068    7.6217   -6.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9855    5.5422   -5.6554 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4962    4.2198   -5.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7684    3.1859   -4.9602 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5022    3.4456   -4.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9728    4.7484   -4.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6982    5.7761   -5.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8315    2.4510   -3.7614 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5362    1.7899   -4.6853 S   0  0  1  0  0  0  0  0  0  0  0  0
    5.4082    2.5031   -6.1171 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8686    0.2369   -4.9077 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0767    1.9726   -3.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4025    3.1314   -3.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2265    3.3624   -2.8786 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2121    4.3572   -3.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1509    4.3947   -2.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    5.0789   -3.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8299    6.2725   -3.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8904    6.8795   -3.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3665    6.3074   -4.9356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7843    5.1274   -5.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7311    4.5175   -4.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5868    3.7588   -1.5458 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5086    4.6956   -1.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1245    5.3831   -2.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8071    4.9124    0.2630 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0537    3.5932    1.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1659    2.7686    0.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9018    1.6359   -0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9545    0.8652   -0.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    1.2133   -0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5671    2.3323    0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5134    3.1086    0.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7131    5.6361    0.8432 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6558    6.9872    0.9774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5737    7.7213    0.5355 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5712    7.5431    1.5961 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4232    8.9537    1.8205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    9.2870    2.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8120   10.1068    1.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0024   10.4702    2.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2543   10.0153    3.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3162    9.1937    4.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    8.8262    3.8083 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 16 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 30 35  4  0  0  0  0
 28 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 41 46  4  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
$$$$
COVPDB1449
  Mrv2015 05262116043D          

 44 47  0  0  1  0            999 V2000
   -4.6156   -1.0108   -4.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1047    0.0612   -3.6219 N   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3732   -0.4135   -2.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0463    0.7134   -1.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2889    1.9528   -1.4701 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9696    2.4082   -2.8166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2658    1.2961   -3.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9158    2.6682   -0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    3.7226   -0.4564 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2678    2.2895    0.9387 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0121    3.0135    2.1599 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8291    2.3621    3.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3071    2.5377    3.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1523    1.4649    2.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5432    1.6529    2.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1101    2.9173    2.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2885    3.9931    3.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8996    3.8030    3.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5595    3.1367    2.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1725    4.1270    3.1378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6801    2.2363    1.9629 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2534    2.4033    1.7301 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2914    3.1960    2.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2079    2.6486    4.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7748    3.5151    5.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3616    4.5028    5.9341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2963    5.3680    6.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6621    5.2537    6.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0963    4.2683    5.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1596    3.4032    4.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7417    1.0474    1.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1066    0.6399    0.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4162   -1.0042    0.1913 S   0  0  1  0  0  0  0  0  0  0  0  0
    0.6883   -1.7481    1.5863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6885   -1.8323   -0.6286 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9104   -1.0050   -0.7373 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5992   -0.3941   -1.9107 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7583    0.1677   -2.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3209    0.7454   -3.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3383    2.1414   -4.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9031    2.6647   -5.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4459    1.7989   -6.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211    0.4100   -6.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8553   -0.1130   -4.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 11 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 22 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  2  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 39 44  4  0  0  0  0
M  END
$$$$
COVPDB144
  Mrv2015 05262115593D          

 22 22  0  0  1  0            999 V2000
    1.5990    2.6186   -7.0997 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7194    1.5430   -6.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1141    1.8625   -5.5164 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8128    2.1421   -4.4689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0763    0.7074   -5.0909 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8719    0.2811   -6.2012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    1.0417   -3.9235 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9589    2.0888   -4.2975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3830    1.4231   -2.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3183    1.5319   -1.5041 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7895    0.5115   -0.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0196   -0.4696   -0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6938   -0.4906    0.0628 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1554    0.4704    0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4959    0.1835    0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3503    1.0989    0.2198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7368   -1.5054    0.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1566   -2.4348    1.1976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0932   -1.5062    0.5971 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7972   -0.5195   -0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0471   -0.5266    0.0286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1451    0.4709   -0.6620 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 12 17  4  0  0  0  0
 17 18  2  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  2  0  0  0  0
 20 22  4  0  0  0  0
 11 22  4  0  0  0  0
M  STY  2   1 DAT   2 DAT
M  SAL   1  1  19
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  SAL   2  1  22
M  SDT   2 MRV_IMPLICIT_H                                        
M  SDD   2     0.0000    0.0000    DR    ALL  0       0  
M  SED   2 IMPL_H1
M  END
$$$$
COVPDB1450
  Mrv2015 05262115413D          

 43 46  0  0  1  0            999 V2000
   -0.6692    2.0697   -0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3590    3.0163   -0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6956    2.5943   -0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0055    1.2249   -0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9790    0.2789   -0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3741    0.6873   -0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4434   -0.3301    0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3561   -1.2606   -0.9584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0261   -2.4375   -1.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8780   -2.7896   -0.2257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7006   -3.2275   -2.1346 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1543   -4.5777   -2.3302 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6475   -5.1347   -3.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3732   -4.5199   -4.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7410   -4.8258   -5.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4709   -4.2119   -6.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8366   -3.2982   -6.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4715   -3.0045   -6.7716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7431   -3.6104   -5.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7411   -5.4096   -1.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6438   -5.9046   -0.4511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4116   -5.4832   -0.7995 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312   -5.6921    0.5519 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3432   -7.0400    1.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1294   -8.3385    0.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944   -9.5462    1.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4837   -9.7795    2.5662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1323  -10.8657    3.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8888  -11.7468    2.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5445  -11.5514    1.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1982  -10.4603    0.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4678   -5.4323    0.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0008   -4.4333    1.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7162   -4.2036    1.5447 S   0  0  2  0  0  0  0  0  0  0  0  0
    4.2149   -2.9298    0.7077 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5381   -5.4980    1.0713 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9960   -3.8654    3.2144 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1915   -4.3535    3.6431 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2652   -5.6521    4.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5028   -6.1720    4.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6683   -5.3894    4.5027 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5937   -4.0821    3.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3560   -3.5621    3.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 12 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 26 31  4  0  0  0  0
 23 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  2  0  0  0  0
 34 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 38 43  4  0  0  0  0
M  END
$$$$
COVPDB1451
  Mrv2015 05262115543D          

 26 28  0  0  0  0            999 V2000
   -1.6033    1.4152   -7.2369 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1617    0.4211   -8.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1022   -0.8610   -7.5973 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4630   -1.2024   -6.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3865   -2.4975   -5.9828 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8992   -0.1744   -5.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9656    1.1235   -5.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3082   -0.0853   -4.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6077    1.2104   -3.9098 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4156    1.9289   -4.9804 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6478    3.3472   -5.0665 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1491    3.6624   -4.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7210    4.1159   -4.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3787   -1.1279   -3.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1118   -1.1306   -2.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0619   -2.0177   -2.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1533   -1.9807   -1.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3351   -1.0503   -0.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3105   -0.1424   -0.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9142   -0.2065   -1.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5712    0.7487    0.4408 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2852    2.2095    0.7520 S   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6966    2.8993   -0.6394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6272    1.8630    1.5632 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6887    3.3211    1.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    3.2962    1.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  1  7  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  7 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
$$$$
COVPDB1452
  Mrv2015 05262116133D          

 16 15  0  0  1  0            999 V2000
    3.1009   -1.1145    3.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4563    0.2781    2.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8513    0.8506    1.6275 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3563    2.3482    1.3360 P   0  0  2  0  0  0  0  0  0  0  0  0
    3.1849    2.8967   -0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6624    3.2189    2.4790 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3919    2.3771    0.9901 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0547    0.9778   -0.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0969    1.2714   -1.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5540   -0.0053   -1.7983 N   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8860   -0.5717   -1.3209 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2497   -1.9709   -1.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9933   -0.6975    0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2120   -0.1186   -3.2715 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0282    0.8409   -4.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3147   -0.0186   -3.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
$$$$
COVPDB1453
  Mrv2015 05262115553D          

 39 42  0  0  0  0            999 V2000
   -4.8488    0.4380    2.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8901    1.0563    3.8659 N   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5974    1.8027    4.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8135    1.8775    3.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9623    1.1270    2.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0738    0.2044    2.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2526   -0.5523    1.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5772   -1.3144    2.4420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3189   -0.5057    0.5243 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5263   -1.2333   -0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0789   -1.3382   -1.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8419   -0.9624   -2.8581 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7506    0.2129   -3.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7548    0.3117   -4.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4804   -0.8575   -4.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5618   -1.2408   -5.0906 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1267   -2.4436   -4.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6048   -3.2340   -3.8491 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5160   -2.8989   -3.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0256   -3.7178   -2.1152 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5541   -4.8400   -1.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9398   -5.2393   -0.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220   -6.3379    0.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5181   -7.0935   -0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9837   -8.1527    0.6950 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2945   -9.3174    0.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1222   -9.6198    1.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4151  -10.8060    0.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8809  -11.7074   -0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0770  -11.4518   -0.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7769  -10.2529   -0.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6080  -12.3889   -1.7945 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9028  -12.7460   -1.5005 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5915  -11.7768   -3.0252 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8971  -13.5607   -1.9142 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1450   -6.7049   -1.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5156   -7.5113   -1.8453 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6494   -5.6080   -1.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9090   -1.6431   -3.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 26 31  4  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 24 36  4  0  0  0  0
 36 37  1  0  0  0  0
 36 38  4  0  0  0  0
 21 38  4  0  0  0  0
 19 39  4  0  0  0  0
 12 39  4  0  0  0  0
 15 39  4  0  0  0  0
M  END
$$$$
COVPDB1454
  Mrv2015 05262116043D          

 59 60  0  0  1  0            999 V2000
    6.5257    5.2589    7.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1610    3.8634    7.1883 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2342    2.7930    8.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0601    3.5193    5.9503 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9379    4.5325    4.9313 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9024    4.8891    4.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0577    4.4069    4.1135 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5868    5.8181    2.9201 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1207    7.2357    3.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2332    8.1034    4.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7431    9.5617    4.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   10.4188    5.1394 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5900   11.6937    5.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5147   12.2836    6.1728 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5717   12.3724    5.0793 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7009    5.1595    1.9982 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3380    5.0747    2.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6115    4.2779    1.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6559    5.6510    2.9231 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7693    2.1927    5.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3468    1.1806    5.7983 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9463    2.1125    4.2464 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8024    1.0414    3.3036 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0555    0.1316    3.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0679   -0.5547    1.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2836   -1.4860    1.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2075   -2.1054    0.2051 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1281   -2.8921   -0.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8990   -3.3532   -1.5462 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2163   -3.2124    0.2533 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5700    0.2559    3.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7280    0.1606    2.6276 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3954   -0.3791    4.7484 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3191   -1.2642    5.1173 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8851   -0.6551    4.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6101    0.5542    5.7642 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2194    1.8069    5.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6220    2.6250    6.5921 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6559    1.9031    7.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6482    0.6577    6.6914 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4329   -2.6081    4.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6445   -3.5089    4.8496 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -2.8882    3.5278 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5883   -4.1446    2.8657 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4337   -3.9334    1.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9228   -4.6535    3.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8850   -4.6800    2.4876 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1445   -5.0957    4.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2793   -5.8196    5.1576 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2198   -4.7776    5.3854 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3005   -3.9104    5.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1891   -3.7317    6.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2002   -2.4754    6.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9865   -2.2435    8.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9779   -0.9042    8.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7586   -3.3071    8.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7707   -4.5569    7.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0057   -4.7866    6.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0797   -6.1199    6.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  4 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 23 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 36 40  4  0  0  0  0
 34 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  4  0  0  0  0
 53 54  4  0  0  0  0
 54 55  1  0  0  0  0
 54 56  4  0  0  0  0
 56 57  4  0  0  0  0
 57 58  4  0  0  0  0
 52 58  4  0  0  0  0
 58 59  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  40
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1455
  Mrv2015 05262116043D          

 38 42  0  0  1  0            999 V2000
    5.1369   -1.6253    0.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0051   -2.7278    0.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4797   -4.0294    0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0866   -4.2352    0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2043   -3.1352    0.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7361   -1.8180    0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8054   -3.3202    0.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9439   -2.2096    0.5026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4553   -0.8904    0.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8592   -0.7164    0.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5903    0.2345    0.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5478    0.1324    1.1034 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9804    1.4002   -0.0155 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827    2.5743   -0.2140 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0454    3.8673   -0.0216 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2447    5.1590   -0.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6201    3.9664    1.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3887    2.4011   -1.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4381    2.3071   -2.5256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7324    2.2067   -1.8650 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8017    2.7940   -1.0586 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5958    3.7423   -2.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1196    2.9512   -3.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7408    1.6380   -0.5851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3521    0.8728   -1.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7279    1.4377   -3.1379 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2411    0.7393   -4.2729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1488    1.3817   -3.0229 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6422   -0.0278   -2.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8997   -0.3756   -1.9862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0093   -0.9643   -3.8515 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6558   -2.3579   -3.8323 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9843   -3.1082   -2.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9164   -4.1526   -2.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4445   -4.9635   -2.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1532   -4.1645   -4.2346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -3.1403   -4.9215 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5670   -3.7338   -5.8718 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  6 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 20 28  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
$$$$
COVPDB1456
  Mrv2015 05262116093D          

 14 15  0  0  1  0            999 V2000
   -0.5597    0.8477    3.5236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2385    0.1725    2.4646 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8365   -1.3302    2.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4986   -2.1403    1.3046 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9203   -2.0767    1.4653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1571   -1.4931   -0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4848    0.0234   -0.0663 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7479    0.7012   -1.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8151    0.3505   -0.4999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126    0.8623    1.1114 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3961    2.2055    1.1328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0846   -3.5718    1.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9847   -4.5730    1.4904 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1153   -3.9026    1.1900 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
$$$$
COVPDB1457
  Mrv2015 05262115443D          

 23 27  0  0  1  0            999 V2000
   -5.8212    4.6066   -7.7906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1287    4.0254   -6.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3251    3.7101   -6.4120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1578    3.7661   -5.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8704    4.1313   -5.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0005    3.5105   -4.3672 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4822    3.0240   -3.4037 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3335    3.0317   -4.5488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9088    1.8525   -4.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7182    1.1114   -4.8979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0279    1.6826   -3.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7382    0.6264   -2.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6915    0.5936   -1.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2899   -0.5394   -0.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1955   -0.1857   -0.1911 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3115   -0.8048    0.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1892   -2.1721    1.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214   -2.0729    2.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7086   -0.6879    1.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2719   -0.0104    1.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5149    1.5936    0.4056 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9635    1.1003   -0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8503    1.6188   -1.3203 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 15 22  4  0  0  0  0
 22 23  4  0  0  0  0
 13 23  4  0  0  0  0
M  END
$$$$
COVPDB1458
  Mrv2015 05262115443D          

 21 24  0  0  1  0            999 V2000
   -3.1329   -6.5062    3.4549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1538   -5.7640    2.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0713   -6.3386    2.6289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3322   -4.4253    2.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3853   -3.6569    2.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1926   -2.4030    2.5345 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2957   -1.9998    1.5112 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1688   -3.4140    1.7996 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3266   -0.7582    2.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6110    0.3728    2.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5622    0.5353    1.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3282    1.6090    1.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2456    1.3282    0.2915 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3868    2.1034   -0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3116    1.3163   -1.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5471    0.4768   -1.9685 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7113   -0.4975   -1.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9150    0.1400   -0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1787   -0.3536    0.3514 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3012   -1.2005    3.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8704   -0.7432    4.1232 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  4  0  0  0  0
 18 19  4  0  0  0  0
 11 19  4  0  0  0  0
  9 20  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
$$$$
COVPDB1459
  Mrv2015 05262116033D          

 23 23  0  0  1  0            999 V2000
   -6.8344    8.6372   -0.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2484    7.2660   -0.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0027    6.5480    0.7255 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9731    7.3536    2.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8669    6.7138    3.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7544    5.2429    3.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2621    4.6046    4.1431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1178    4.5434    2.2108 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5371    5.0644    0.9987 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9896    4.8521    1.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4839    3.4405    1.4943 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8013    2.4696    0.4938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9572    3.3504    1.8804 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7202    3.8365    3.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9042    3.9603    0.8725 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1018    5.3827    0.6578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3882    6.3209    1.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8661    3.2824   -0.5501 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9867    4.0950   -1.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4570    1.7668   -0.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1322    1.4563   -0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2294    0.2179    0.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5556   -0.0856    0.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$
COVPDB145
  Mrv2015 05262116123D          

 23 23  0  0  1  0            999 V2000
   -0.6752   -2.6020   -4.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4445   -2.9310   -3.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1739   -3.9161   -3.8803 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6731   -2.1654   -2.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6432   -2.4242   -1.6825 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0920   -1.8766   -0.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5018   -0.8254    0.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1085   -0.3794    1.3424 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2715   -0.9135    1.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7951   -0.4894    2.8415 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8626   -1.9104    1.0875 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3115   -2.3966   -0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9329   -3.3098   -0.6436 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3369   -0.2301   -0.1433 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2649    1.1472   -0.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1572    1.5498   -0.9881 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6353    0.6489   -1.9883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2739    3.0214   -1.4938 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6059    3.2335   -1.9610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2631    3.4988   -2.5869 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5221    4.8717   -2.8821 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2890    2.6913   -3.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6332    3.2337   -4.8495 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  2  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
  6 12  4  0  0  0  0
 12 13  2  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  2   1 DAT   2 DAT
M  SAL   1  1   8
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  SAL   2  1  11
M  SDT   2 MRV_IMPLICIT_H                                        
M  SDD   2     0.0000    0.0000    DR    ALL  0       0  
M  SED   2 IMPL_H1
M  END
$$$$
COVPDB1460
  Mrv2015 05262116143D          

 19 20  0  0  1  0            999 V2000
   -1.9348    2.9620    0.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0094    4.0261    0.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3353    3.9398    0.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2928    5.0240    0.2356 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4698    5.9736   -0.4858 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6833    6.4927    0.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5243    5.2694   -0.2855 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1499    5.3401   -1.6815 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8798    4.9631   -2.7164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8653    5.9316   -3.1341 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3843    5.5086   -4.3325 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3608    7.3102   -3.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8252    8.3002   -2.5007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4823    7.5776   -4.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1275    5.7844   -1.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8534    5.7932   -2.7982 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917    4.5547   -0.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4746    5.4149   -0.8380 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6369    3.3613   -0.8644 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  8 15  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  2  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
$$$$
COVPDB1461
  Mrv2015 05262115533D          

 14 15  0  0  1  0            999 V2000
   -1.0432   -0.7951   -3.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8880   -1.4949   -2.6069 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7861   -2.5932   -3.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9387   -0.1911   -1.8390 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0576   -0.0488   -0.2495 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0179    1.0652    0.0885 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0201    2.2308   -0.8034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0139    0.0630   -0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2336    0.0972   -0.3545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9382   -0.8319   -0.6021 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9652   -1.9896   -1.4280 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4347   -3.1678   -0.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7134   -4.3142   -0.6597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5051   -3.1511   -0.0068 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
$$$$
COVPDB1462
  Mrv2015 05262115533D          

 31 34  0  0  1  0            999 V2000
    2.9452   -2.3458    0.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4963   -1.7957   -0.4005 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3011   -2.2996   -1.5752 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9112   -1.5689   -2.4535 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5146   -0.5848   -1.8714 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2687   -0.7084   -0.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8604    0.4109    0.6537 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7825    1.8722    0.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3789    1.5702    0.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9677    1.3148    2.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6735    1.0417    2.3166 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3433    0.4748    1.5049 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3205    1.3873   -0.0690 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4726    1.5178   -0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3679    0.8879    2.6127 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2027    1.9852    2.2414 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8324    2.8250    3.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1153    2.4811    4.2722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9720    4.2378    2.6824 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5649    4.3447    1.3881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5955    4.8170    2.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7140    4.7560    1.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6285    5.1622    1.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1015    5.6653    2.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2334    5.7593    4.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1027    5.3355    3.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1613    1.3370    3.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0029    1.9134    4.4206 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8213    1.3120    3.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8440    0.2444    4.0034 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5753    2.2734    3.4433 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 15 27  1  0  0  0  0
 11 27  1  0  0  0  0
 27 28  2  0  0  0  0
 10 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
$$$$
COVPDB1463
  Mrv2015 05262116113D          

 33 35  0  0  0  0            999 V2000
    5.6966   -0.7148   -8.7163 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3209   -0.2858   -8.6808 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5190   -1.0964   -7.9163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8777   -2.1750   -8.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0600   -3.0543   -7.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4724   -4.1009   -8.4840 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2952   -5.2836   -8.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8496   -2.8332   -6.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7998   -3.9024   -5.6265 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4978   -1.7522   -5.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3036   -0.8599   -6.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0217    0.5354   -5.8770 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3356   -1.6012   -4.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9718   -1.2310   -3.9834 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7533   -1.1740   -2.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9102    0.0276   -1.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7673    0.0346   -0.5644 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4777   -1.0923    0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2839   -2.2544   -0.5465 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3938   -2.3216   -1.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4638   -0.9761    1.4928 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6220   -1.9769    2.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172   -1.7963    3.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3067   -0.6280    3.5802 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7461    0.5640    3.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.6330    4.1755 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4822    1.7287    4.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8098    1.8465    3.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9430   -2.8655    4.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2435   -4.0819    4.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1872   -4.2259    3.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1339   -3.1767    2.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1507   -3.3328    1.5919 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
  3 11  4  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 22 32  4  0  0  0  0
 32 33  1  0  0  0  0
M  END
$$$$
COVPDB1464
  Mrv2015 05262116113D          

 33 35  0  0  0  0            999 V2000
    0.2154   -4.9473  -10.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1041   -5.5141   -8.8319 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6852   -5.0271   -7.8223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8834   -5.7027   -7.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7170   -5.2718   -6.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8525   -5.9919   -6.2248 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9726   -5.5935   -7.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521   -4.1463   -5.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4139   -3.6941   -4.4664 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1396   -3.4412   -5.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2989   -3.9102   -7.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2043   -3.1972   -7.4099 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7890   -2.2497   -5.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5868   -2.7001   -3.7980 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3633   -1.7360   -2.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8122   -1.7901   -2.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0120   -0.9000   -1.0668 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010    0.0613   -0.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0260    0.1499   -1.5234 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2846   -0.7132   -2.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3374    0.8699    0.3083 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5829    1.6314    0.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049    1.1685    1.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3489   -0.1063    1.0422 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7469   -1.2632    1.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7419   -1.2102    2.2153 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2053   -2.5251    1.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2124   -2.7862    0.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8440    2.0504    1.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4638    3.3433    2.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1385    3.7668    2.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1846    2.9285    1.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069    3.4249    1.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
  3 11  4  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 22 32  4  0  0  0  0
 32 33  1  0  0  0  0
M  END
$$$$
COVPDB1465
  Mrv2015 05262116113D          

 34 36  0  0  0  0            999 V2000
    5.4540   -0.8134   -8.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -0.2839   -8.7327 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3403   -1.0855   -7.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069   -2.1147   -8.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8180   -2.9932   -7.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1312   -3.9943   -8.4414 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8837   -5.2142   -8.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7153   -2.8040   -6.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7388   -3.9027   -5.5360 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4069   -1.7347   -5.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2247   -0.8761   -6.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0961    0.4353   -5.8971 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2702   -1.5584   -4.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8890   -1.3088   -3.9167 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6836   -1.2396   -2.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4820   -0.0003   -1.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3281    0.0481   -0.5711 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619   -1.0716    0.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5306   -2.2767   -0.4092 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6692   -2.3941   -1.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2646   -0.9375    1.5518 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4771   -1.9373    2.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5535   -1.7915    3.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737   -0.6421    3.5154 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586    0.5715    3.8756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5334    0.6884    4.1231 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5430    1.7049    4.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8639    1.7729    3.7971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9402   -2.8767    4.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2066   -4.0737    4.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5706   -5.0747    4.9252 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0707   -4.1826    3.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3048   -3.1210    2.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7210   -3.3005    1.5838 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
  3 11  4  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  1  0  0  0  0
 30 32  4  0  0  0  0
 32 33  4  0  0  0  0
 22 33  4  0  0  0  0
 33 34  1  0  0  0  0
M  END
$$$$
COVPDB1466
  Mrv2015 05262116113D          

 34 36  0  0  0  0            999 V2000
   -5.7772   10.9140    1.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4126   10.4191    0.3472 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7599    9.2123    0.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862    9.1985    0.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6777    7.9878    0.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3361    8.0215    1.0553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0598    8.0416    2.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3429    6.7720    0.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4206    5.3454    0.6266 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.7213    6.7627    0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4283    8.0019    0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0815    8.1152   -0.2958 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.3656    5.4633   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6866    4.9499   -1.4091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8756    3.6232   -1.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4533    3.2361   -2.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5667    1.9196   -3.2341 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1361    0.9391   -2.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5938    1.2969   -1.2030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4383    2.5915   -0.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2875   -0.3575   -2.7796 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9555   -1.4584   -2.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9759   -2.4057   -1.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1950   -2.2422   -2.3584 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4253   -2.4354   -1.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5507   -2.6581   -0.5766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5777   -2.3698   -2.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6172   -2.3381   -3.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6983   -3.5233   -0.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4168   -3.7151   -0.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0941   -5.0572    0.5747 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3931   -2.8029   -0.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6482   -1.6879   -1.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3272   -0.6935   -1.9182 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
  3 11  4  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  1  0  0  0  0
 30 32  4  0  0  0  0
 32 33  4  0  0  0  0
 22 33  4  0  0  0  0
 33 34  1  0  0  0  0
M  END
$$$$
COVPDB1467
  Mrv2015 05262116113D          

 34 37  0  0  1  0            999 V2000
    1.4611   -0.3314   -0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0219   -0.2582   -0.0847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4472    0.4451    0.9971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6346   -0.2344    2.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0893    0.4465    3.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -0.2584    4.5250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5540   -0.8393    4.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3268    1.8385    3.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7308    2.6307    4.7466 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1956    2.5369    2.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7741    1.8179    0.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6687    2.5516   -0.6294 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4612    3.9384    1.9938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4249    4.8497    1.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6612    6.2364    1.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7518    4.4473    2.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9891    5.8377    2.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9361    6.7366    1.9904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2356    6.3981    2.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3820    7.7459    2.7128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3608    8.5878    2.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1598    8.0757    2.0345 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4759    9.9310    2.5108 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0257   10.6053    3.6539 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0525   12.1334    3.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4551   12.8982    4.5194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6020   12.7193    5.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5829   11.2411    6.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1955   10.3009    4.9461 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7977   10.3954    4.6382 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7831    9.8145    5.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0214    9.2284    6.4170 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5251    9.8286    4.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9197   10.2163    3.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
  3 11  4  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 13 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 15 18  4  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 18 22  4  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
$$$$
COVPDB1468
  Mrv2015 05262115543D          

 38 40  0  0  1  0            999 V2000
   -1.4714    3.3711   -5.2341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8803    4.4140   -4.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2808    5.2334   -5.7362 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    6.3345   -5.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1266    6.1269   -3.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7372    4.8396   -3.4753 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1272    5.0236   -2.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1227    5.2339   -1.2325 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5775    4.0534   -0.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3227    3.1661    0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8200    2.0305    0.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793    1.3730    1.4891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5309    1.6123    0.5305 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1037    0.4891    1.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5334    0.3004    0.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3927    6.3820   -0.7737 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7317    7.7076   -0.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8755    8.4539   -0.2857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9743    8.3047   -1.4137 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8561    9.8478   -1.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9926   10.4234   -2.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9796   10.9414   -2.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1616    7.9402   -0.6318 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2936    8.4312    0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3638    8.0620    1.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3142    7.1537    0.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2270    6.6589   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1454    7.1083   -1.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0980    6.7033   -2.3193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0850    5.7289   -0.8624 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3810    5.4437   -0.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0283    6.1215    0.2884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0392    4.3694   -1.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5088    3.4445   -2.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5522    2.5933   -2.4192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5336    1.4406   -3.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6430    3.0048   -1.7362 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3365    4.0514   -1.0157 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  3  0  0  0  0
 19 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
 28 29  2  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  1  0  0  0  0
 35 37  4  0  0  0  0
 37 38  4  0  0  0  0
 33 38  4  0  0  0  0
M  END
$$$$
COVPDB1469
  Mrv2015 05262115503D          

 28 31  0  0  1  0            999 V2000
    0.7287    2.6469    0.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5751    2.5745   -0.1921 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8886    1.2668   -0.8304 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4804    0.4119    0.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0705    1.4514    1.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7903    2.8180    0.6300 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9113    3.2781   -0.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2189    2.2214   -1.4748 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9019    1.5590   -1.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9109    2.7112   -2.6487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3538    3.4003   -2.4691 P   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0515    2.8327   -1.3040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2094    3.0841   -3.7938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1896    1.7774   -4.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8683    0.7496   -3.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8582   -0.5694   -4.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2012   -0.9026   -5.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5279    0.1431   -5.9106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5217    1.4595   -5.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2284   -2.1591   -5.7085 N   0  3  0  0  0  0  0  0  0  0  0  0
   -6.6903   -3.1401   -5.0419 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.8487   -2.4390   -6.7781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1876    5.0539   -2.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2570    5.8557   -1.8792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0931    7.2470   -1.7306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8676    7.8550   -2.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8101    7.0719   -2.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9717    5.6841   -2.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 11 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
M  CHG  2  20   1  21  -1
M  END
$$$$
COVPDB146
  Mrv2015 05262115523D          

 44 48  0  0  1  0            999 V2000
   -4.3872   -3.3207    1.5513 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0241   -2.7409    0.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5028   -2.9317   -0.6102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2135   -1.9701    0.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9362   -1.9592    1.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1203   -1.2214    1.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5842   -0.4900    0.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8914   -0.4571   -0.2917 N   0  3  0  0  0  0  0  0  0  0  0  0
   -6.7383   -1.1974   -0.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4286    0.3182   -1.4091 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.6151    0.2957   -2.6069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9971    1.5784   -2.8207 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.4637    1.4596   -2.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0303    1.0741   -4.2996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5443    0.4827   -4.4561 P   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3407   -0.7709   -3.5011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4760   -0.0564   -5.8277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2811    1.4733   -4.3370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0391    2.7373   -3.3769 P   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1911    3.8137   -3.5257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8136    3.3797   -3.8894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7217    2.4102   -1.8354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7666    1.8262   -1.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3878    1.6459    0.4446 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5145    2.8874    1.1585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6278    2.8332    2.0687 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9996    1.3402    2.2742 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6485    0.8914    3.5842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2539    0.5801    1.1679 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4577   -0.4947    1.6667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7431    3.6647    1.6852 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8603    4.4917    0.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0590    5.1103    0.5959 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7158    4.6744    1.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9980    4.9542    2.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8457    5.8002    1.5760 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3719    4.3376    3.3437 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5496    3.4745    4.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3107    3.1989    3.5185 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8977    3.7869    2.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3662    2.4604   -1.6061 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.5113    3.8364   -1.9537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6599    1.8234   -1.1041 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.7533    2.3041   -1.7948 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  1  0  0  0  0
 35 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 31 40  4  0  0  0  0
 34 40  4  0  0  0  0
 12 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 10 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  CHG  1   8   1
M  END
$$$$
COVPDB1470
  Mrv2015 05262115493D          

 12 12  0  0  0  0            999 V2000
    4.9217   -4.9861   -1.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1332   -3.5763   -1.0757 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5446   -3.2249   -1.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1016   -2.6613   -0.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3402   -1.2811   -0.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3094   -0.3491   -0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9560   -0.7446   -0.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6887   -2.1126   -0.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7270   -3.0344   -0.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8980    0.1822   -0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3985   -0.2150    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1112    1.4017    0.1758 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
$$$$
COVPDB1471
  Mrv2015 05262116133D          

 25 27  0  0  1  0            999 V2000
   -4.5089    2.8787    2.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0590    2.3657    2.1571 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1630    2.7613    3.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0637    0.5272    2.0983 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9820    0.3144    0.6479 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4475    0.0151    0.7273 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0314   -0.2263    2.0525 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0612   -0.9894    2.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1869   -0.9391    3.7559 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0236   -1.8642    1.7797 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3120   -1.5201    0.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2182   -2.4111   -0.6538 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6846   -0.3618    0.0677 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6162   -3.2817    2.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3597   -4.1686    2.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8354   -5.4553    2.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3624   -5.5120    2.0222 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4481   -3.8523    1.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2961    1.4347    0.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6982    2.1833    0.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6005    1.6622    0.4899 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3891    2.8047    0.7989 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2662    3.1490   -0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2295    4.3986   -0.8704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0356    2.3064   -0.8617 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 14 18  4  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
$$$$
COVPDB1472
  Mrv2015 05262115503D          

 34 38  0  0  1  0            999 V2000
   -0.0495   -7.3411   -0.6309 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5197   -5.8309   -0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4117   -4.5996   -0.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8682   -3.4944    0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3631   -3.7789    1.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2330   -5.5207    1.5253 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8183   -2.7926    2.3422 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7268   -3.2458    3.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3503   -2.5649    2.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9259   -1.6305    2.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4856    2.5308 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4230   -1.7502    2.9416 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908   -2.9717    3.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2718   -2.9271    2.3260 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7175   -1.4564    2.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4113   -0.6948    2.8437 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1415    0.4206    1.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0577    1.5919    2.3400 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0082    0.1534    0.5720 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8025    1.1315   -0.4401 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9075    1.7066   -1.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8374    2.1836   -1.4906 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3403    0.7921   -1.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5040    1.9469   -0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6153   -4.1514    2.6048 S   0  0  1  0  0  0  0  0  0  0  0  0
    4.2594   -3.8697    4.0479 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9626   -5.6174    2.6222 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8562   -4.0831    1.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5267   -3.5079    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4743   -3.4076   -0.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7756   -3.8898   -0.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1158   -4.4953    0.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1648   -4.6082    1.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6598   -5.4090    2.9092 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  3  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 24  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
 33 34  1  0  0  0  0
M  END
$$$$
COVPDB1473
  Mrv2015 05262115503D          

 35 39  0  0  1  0            999 V2000
    0.2949   -6.8487   -1.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4643   -5.8346   -0.8196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5649   -4.5138   -1.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2321   -3.5219   -0.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8201   -3.8258    0.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7784   -5.1664    1.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0950   -6.1529    0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4002   -2.7318    1.5190 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6869   -2.9574    2.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7894   -2.2974    0.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4760   -1.6331    1.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8078   -0.4561    1.6867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2593   -1.8397    2.6045 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1907   -3.0964    3.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5023   -3.2111    2.3499 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0964   -1.8071    2.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8360   -0.8903    2.7032 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8976    0.2223    1.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9080    1.4034    2.1363 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9675   -0.0409    0.3815 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0635    0.9492   -0.6406 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3070    1.4417   -0.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3492    1.8569   -1.1871 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1201    0.7117   -1.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    1.8798   -0.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034   -4.6140    2.7952 S   0  0  1  0  0  0  0  0  0  0  0  0
    2.9457   -4.4982    4.3590 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8053   -5.9865    2.5542 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0843   -4.6042    1.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0654   -3.9482    0.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2187   -3.8596   -0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4134   -4.4500    0.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4457   -5.1408    1.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2901   -5.2314    2.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4166   -6.1167    3.6547 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  3  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 25  1  0  0  0  0
 15 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
 34 35  1  0  0  0  0
M  END
$$$$
COVPDB1474
  Mrv2015 05262115503D          

 23 24  0  0  1  0            999 V2000
   -0.3335    3.7742   -3.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8465    3.8018   -4.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    5.0123   -5.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3634    6.1860   -5.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1501    6.1582   -3.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655    4.9511   -3.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7374    4.8876   -1.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2221    4.3918   -1.6590 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2329    5.4853   -1.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8278    5.6141   -2.8699 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5561    6.4143   -0.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8095    7.6002   -1.0249 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5197    3.4311   -0.6396 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3435    3.5220    0.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9153    4.5568    1.2674 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6727    2.4694    1.5129 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6282    1.0937    1.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1476    0.2065    2.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5426    0.0327    2.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0444   -0.8811    3.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1572   -1.6164    4.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7695   -1.4202    3.9634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2677   -0.5134    3.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
M  END
$$$$
COVPDB1475
  Mrv2015 05262116113D          

 21 22  0  0  0  0            999 V2000
    1.6126    4.9832    4.0676 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4396    4.8391    2.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5396    3.7254    1.9762 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411    2.7424    1.3822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7798    3.8012    2.3303 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7892    2.9023    2.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9169    2.9671    2.9464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9792    2.0581    2.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9415    1.0680    1.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2516   -0.0059    1.6951 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8374    1.0044    0.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7839    1.9310    1.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7447   -0.1772   -0.4168 S   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9633    0.0736   -1.4311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8668   -1.6711    0.1565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2006    0.0204   -1.2664 N   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2811    0.4144   -2.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1179    0.8836   -3.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1183   -0.1190   -2.8844 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069   -0.4767   -1.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1555   -0.9902   -0.9621 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
  6 12  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
$$$$
COVPDB1476
  Mrv2015 05262116023D          

 26 28  0  0  1  0            999 V2000
    0.9417   -5.1000   -1.9947 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3230   -4.7820   -0.6556 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7962   -6.0417    0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8707   -5.5517    1.0960 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6043   -5.9104    2.4615 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4218   -7.1579    2.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2772   -7.6647    2.9432 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5132   -7.8512    3.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8961   -3.9953    0.9705 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4519   -3.6988   -0.5288 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6056   -4.0402   -1.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1754   -3.2480    1.5384 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8264   -3.9448    2.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8951   -1.7538    1.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3399   -0.8927    0.7787 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8740   -1.2471    0.3582 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2570    0.0644    0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1357    1.0367    0.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2918    0.5027    1.0528 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9105    2.2689    0.6505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0239    0.2980   -0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9009   -2.2287   -0.8612 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6060   -2.2649   -1.5026 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2153   -1.8755   -2.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0168   -1.7570   -2.9472 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -1.6017   -3.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  2  0  0  0  0
 17 21  2  0  0  0  0
 16 22  1  0  0  0  0
 10 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
$$$$
COVPDB1477
  Mrv2015 05262115473D          

 22 23  0  0  0  0            999 V2000
    1.3897   -3.7954   -6.6560 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976   -2.7869   -4.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3127   -3.2050   -3.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8192   -4.1566   -3.0938 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1056   -2.6461   -3.3155 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5330   -3.1772   -2.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5240   -1.5250   -3.9978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0156   -0.1677   -3.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4729    1.0409   -4.1059 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4239    1.1360   -5.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8900    2.1298   -3.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0453    2.8808   -3.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4633    3.9908   -2.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7533    4.4104   -1.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1574    5.4581   -1.0229 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.1350    6.1972   -1.3600 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6384    5.7684   -0.0235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5916    3.6618   -1.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786    2.5761   -2.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3080    3.8051   -0.4688 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    2.8751   -0.6213 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9555    2.1251   -1.6595 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 14 18  4  0  0  0  0
 18 19  4  0  0  0  0
 11 19  4  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 19 22  4  0  0  0  0
M  CHG  2  15   1  16  -1
M  END
$$$$
COVPDB1478
  Mrv2015 05262115563D          

 39 42  0  0  1  0            999 V2000
  -11.5566   -1.3633   -2.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2238   -0.7464   -2.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2301   -1.4298   -3.1505 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0880    0.5536   -2.4172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8496    1.2594   -2.2591 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.0976    1.3311   -3.4824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1560    2.4130   -3.3444 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7220    1.8599   -3.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9859    1.7060   -4.3189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7385    0.6954   -4.3703 P   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9360   -0.5286   -3.3823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7340    0.1303   -5.7319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2883    1.3557   -4.1787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9011    2.4103   -3.0408 P   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9859    3.5535   -2.9083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6471    3.0518   -3.4722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5992    1.7672   -1.6037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6476    1.0466   -0.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4614    1.0831    0.5925 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4769    2.4398    1.0682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4491    2.5831    2.1214 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7596    1.1481    2.6085 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8387    0.7630    3.6285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5759    0.3176    1.3406 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2414   -1.0381    1.6223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5970    3.3533    1.7084 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7564    4.0423    0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9198    4.7203    0.5264 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5266    4.4383    1.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7626    4.8405    2.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5957    5.6603    1.5571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1056    4.3749    3.4487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2884    3.5550    4.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0853    3.1697    3.6607 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7080    3.5956    2.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7042    3.3293   -2.2145 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.7743    4.6986   -2.6072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0705    2.7261   -1.8581 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.1260    3.3155   -2.6160 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  1  0  0  0  0
 30 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 26 35  4  0  0  0  0
 29 35  4  0  0  0  0
  7 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
  5 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
$$$$
COVPDB1479
  Mrv2015 05262115473D          

 22 23  0  0  1  0            999 V2000
   -2.0644    6.1000    6.7257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897    5.4021    6.3206 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9904    5.0095    4.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1783    4.2678    4.4302 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3421    3.0122    5.1358 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4973    3.2720    6.6608 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5449    2.0286    7.3586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6756    4.1397    7.1993 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4197    4.5265    8.5489 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5180    2.3196    4.6532 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4113    1.9348    3.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8524    0.6820    2.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4596   -0.2480    3.8532 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.1364   -1.3203    3.5162 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6413   -0.1575    5.0034 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7129    0.4361    1.5674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1236    1.3733    0.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7158    2.6019    0.9771 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0984    3.4990    0.0484 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9714    3.2933   -1.2006 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5613    4.5373    0.3186 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8707    2.8461    2.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 18 22  4  0  0  0  0
 11 22  4  0  0  0  0
M  CHG  4  13   1  14  -1  19   1  20  -1
M  END
$$$$
COVPDB147
  Mrv2015 05262116123D          

 11 12  0  0  0  0            999 V2000
   -0.3474    2.4669   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4929    3.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5676    2.3690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1179    1.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7303    1.1806   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7753   -0.0703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0546   -1.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8855   -2.7442   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6891   -1.1946   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0012   -0.0178   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2494   -0.0111   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  2  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  2  0  0  0  0
M  STY  3   1 DAT   2 DAT   3 DAT
M  SAL   1  1   3
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  SAL   2  1   6
M  SDT   2 MRV_IMPLICIT_H                                        
M  SDD   2     0.0000    0.0000    DR    ALL  0       0  
M  SED   2 IMPL_H1
M  SAL   3  1   9
M  SDT   3 MRV_IMPLICIT_H                                        
M  SDD   3     0.0000    0.0000    DR    ALL  0       0  
M  SED   3 IMPL_H1
M  END
$$$$
COVPDB1480
  Mrv2015 05262115493D          

 29 31  0  0  1  0            999 V2000
   -3.7308   -6.2632    0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5371   -6.5940   -1.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7302   -6.4245   -2.3987 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8194   -7.5620   -2.7228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1031   -5.0709   -2.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2437   -4.7106   -1.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0320   -4.8551    0.0956 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1317   -4.8308    1.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3725   -4.8270    2.0115 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0717   -3.8401    0.1564 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1312   -2.5824    0.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2394   -2.0214    0.5426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0547   -1.8509    1.4464 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5284   -0.6510    2.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4558   -0.0414    3.3093 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9229   -1.0735    4.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9588   -0.4528    5.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6064    0.7534    6.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0849    1.8156    5.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0444    1.2081    4.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9743   -1.4821    0.5717 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0499   -0.6502   -0.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1818   -0.1974   -0.8182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9482   -0.3142   -1.2977 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0904    0.4731   -2.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0578    1.6270   -2.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2731    1.1691   -2.2771 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3612    0.4971   -1.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4047   -0.7220   -0.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  3  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
$$$$
COVPDB1481
  Mrv2015 05262115493D          

 34 37  0  0  1  0            999 V2000
   -3.3940   -1.1135    3.1410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7665   -1.6661    2.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5842   -2.3087    2.4068 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7585   -2.3659    3.5715 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2431   -3.3217    4.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0538   -3.9242    5.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730   -3.6391    4.3443 N   0  0  2  0  0  0  0  0  0  0  0  0
    2.3198   -2.8608    4.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4192   -2.6531    3.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0607   -3.7677    3.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0734   -3.5877    2.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4598   -2.2904    1.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270   -1.1742    2.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8140   -1.3521    3.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5386   -3.0823    3.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4770   -1.0884    4.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2413   -0.0258    4.3954 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2486   -1.5793    0.8064 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7300   -2.9796    0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0466   -3.0630   -1.2287 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3748   -2.3324   -1.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6276   -2.3140   -3.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6651   -3.7353   -3.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3031   -4.5096   -3.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0815   -4.5340   -1.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1267   -1.1209    0.0269 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9760    0.0445   -0.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9507    0.8330   -0.7149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7899    0.3480   -1.3314 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6748    1.4849   -2.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5322    2.3747   -1.8379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7363    1.5887   -1.7290 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6219    0.4780   -0.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4261   -0.4370   -1.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  7 15  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  3  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 18 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 29 34  1  0  0  0  0
M  END
$$$$
COVPDB1482
  Mrv2015 05262115493D          

 33 35  0  0  1  0            999 V2000
    1.1333   -0.3261    1.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7628    0.9227    1.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0661    2.1060    1.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2608    2.0398    0.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8895    0.7893    0.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2019   -0.4109    1.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8780   -1.7203    0.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0451   -1.9667   -0.4645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7247   -3.2021   -0.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6812   -3.4763   -2.3295 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3589   -4.8470   -2.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4055   -2.4858   -2.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0330   -1.6722   -3.4817 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2948   -3.6429   -2.7123 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5115   -3.0548   -3.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6536   -3.5652   -3.7133 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1930   -1.9085   -4.5558 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1116   -1.7508   -5.8192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966   -0.5173   -6.7390 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5592   -0.6630   -7.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8472    0.5362   -8.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3149    0.7914   -9.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6653    0.9512   -8.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9556   -0.2495   -7.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1255   -0.6883   -3.8035 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1708   -0.0325   -3.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720   -0.6286   -3.1157 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    1.2641   -2.7256 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1642    1.8880   -2.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0617    3.4242   -1.8487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7184    3.8375   -1.5550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1884    3.4753   -2.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2407    1.9377   -2.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  3  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 17 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 33  1  0  0  0  0
M  END
$$$$
COVPDB1483
  Mrv2015 05262116003D          

 31 32  0  0  1  0            999 V2000
   -0.2507    3.6285   -3.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034    3.8309   -5.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6605    5.1160   -5.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1629    6.1974   -4.9155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2941    5.9953   -3.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2514    4.7078   -3.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7261    4.4827   -1.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2342    4.0737   -1.5406 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1673    5.1977   -1.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8065    5.1626   -2.9248 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3522    6.3365   -0.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5972    7.4930   -1.3850 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6605    3.3883   -0.3506 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1469    3.4377    0.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1920    4.1863    1.2261 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7445    2.5850    1.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7672    1.2210    1.5372 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1674    0.1753    2.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4528    0.3362    3.5204 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2988   -1.1650    1.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0473   -1.6120    1.1869 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8243   -2.0771   -0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7385   -2.1769   -0.9214 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5428   -2.4350   -0.3550 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0204   -3.0051   -1.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6879   -4.2653   -1.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2746   -5.5050   -1.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9676   -6.6909   -1.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0775   -6.6537   -0.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4918   -5.4309   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8022   -4.2437   -0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 26 31  4  0  0  0  0
M  END
$$$$
COVPDB1484
  Mrv2015 05262115593D          

 35 37  0  0  1  0            999 V2000
    3.6501   -7.3534    1.1215 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5693   -6.4189    0.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1865   -5.1165    0.7204 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1154   -4.1658    0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0065   -2.8335    0.2933 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2647   -2.3934    0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1594   -3.3972    0.0469 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4534   -4.5046    0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8412   -5.8476    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0361   -6.1919    0.2708 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8785   -6.7721    0.6770 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7983   -2.0503    0.3631 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8663   -0.8898   -0.4886 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590    0.3083    0.3041 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9741    1.2909   -0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5893    2.1663   -1.2102 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6778    3.2634   -1.6499 P   0  0  1  0  0  0  0  0  0  0  0  0
    7.0827    2.6156   -1.9953 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1619    3.8899   -2.8783 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8155    4.4340   -0.5696 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8691    4.4381    0.6403 P   0  0  2  0  0  0  0  0  0  0  0  0
    6.0752    4.1980    1.9952 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4028    5.8090    0.7085 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1468    3.4750    0.5066 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1489    2.2136    1.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5914    1.7053    1.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5366    0.3211    1.7859 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5297   -0.5916    1.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6761   -0.2547    1.2445 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2405   -2.0168    1.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3896   -2.9244    0.3671 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0020   -0.1276    1.7826 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2932    0.7395    2.6669 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4794   -1.5677    1.7954 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0768   -1.6162    2.0550 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  2  0  0  0  0
  9 11  4  0  0  0  0
  2 11  4  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 14 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 12 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  11
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB1485
  Mrv2015 05262115453D          

 40 43  0  0  1  0            999 V2000
   -7.2113    1.8256   14.9063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3217    1.5647   14.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3819    2.1619   14.4635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2857    0.5859   13.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0480   -0.8053   13.0784 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.0905   -1.6660   11.9059 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2649   -1.8319   10.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6785   -2.7189   10.0353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9871   -1.1351   10.4742 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5541   -1.2238    8.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4286   -0.2117    8.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0420   -0.2107    7.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0516    0.9353    6.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5783    0.8372    5.4303 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6663    1.6846    4.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2387    2.6417    5.5610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1911    1.5093    3.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5209    0.3641    2.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0481    0.2125    1.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2440    1.2088    0.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8077    1.0758   -0.4331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6971    1.6619   -1.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7243    0.9131   -1.9045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6090    1.5456   -2.7180 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5348    2.8775   -2.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4772    3.5163   -3.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3691    4.8982   -4.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3146    5.6400   -3.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3684    5.0076   -2.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4816    3.6291   -2.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6051    2.9906   -1.5751 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8834    2.3381    1.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3544    2.4865    2.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8723   -1.6344   11.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8895   -0.8630   11.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8707   -1.5876   12.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9842   -2.9773   12.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4384   -3.3159   11.5973 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5424   -0.5334   13.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1203   -0.8679   14.5137 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 30 31  4  0  0  0  0
 22 31  4  0  0  0  0
 20 32  4  0  0  0  0
 32 33  4  0  0  0  0
 17 33  4  0  0  0  0
  9 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 34 38  4  0  0  0  0
  5 39  1  0  0  0  0
 39 40  2  0  0  0  0
M  END
$$$$
COVPDB1486
  Mrv2015 05262115503D          

 35 39  0  0  1  0            999 V2000
   -3.3207   -9.4367   -2.4118 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.9814   -9.6385   -2.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4809  -10.9577   -2.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8384  -11.2083   -1.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7062  -10.1417   -1.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2182   -8.8239   -1.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8584   -8.5524   -1.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3192   -6.8558   -1.8389 S   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2265   -6.5736   -2.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5565   -5.8662   -2.0984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5791   -6.4788   -0.1933 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5990   -6.5640    0.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8402   -5.0932    1.3644 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5697   -4.9740    2.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6633   -4.3582    2.6757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0855   -5.5249    3.8108 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7588   -5.4938    5.0733 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.5843   -6.5449    5.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2807   -7.4220    5.6213 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9518   -4.9346    6.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1101   -4.1210    5.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5101   -4.5538    1.1817 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0088   -5.0416   -0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7992   -3.7672    2.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3668   -3.3586    3.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3629   -3.3795    1.9161 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1099   -2.0087    1.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634   -2.1620    2.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3389   -4.4677    1.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -4.6348    0.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5151   -5.6624    0.8152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5894   -6.5524    1.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8688   -7.9035    1.9000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3049   -6.4129    2.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2592   -5.3779    2.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  3  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 11 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  1  0  0  0  0
 32 34  4  0  0  0  0
 34 35  4  0  0  0  0
 29 35  4  0  0  0  0
M  END
$$$$
COVPDB1487
  Mrv2015 05262115503D          

 35 39  0  0  1  0            999 V2000
   -3.3329   -9.4444   -2.4165 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.9936   -9.6392   -2.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4963  -10.9577   -2.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8544  -11.2051   -1.8724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7198  -10.1349   -1.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2283   -8.8178   -1.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8673   -8.5494   -1.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3228   -6.8526   -1.8413 S   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2327   -6.5758   -2.9863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5586   -5.8608   -2.0991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5813   -6.4684   -0.1962 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6020   -6.5512    0.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8343   -5.0805    1.3690 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5677   -4.9605    2.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6622   -4.3449    2.6796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0875   -5.5146    3.8133 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7651   -5.4727    5.0720 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.5941   -6.5181    5.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2923   -7.3925    5.6254 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9559   -4.9172    6.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1147   -4.1005    5.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5019   -4.5457    1.1833 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0078   -5.0321   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7882   -3.7594    2.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3499   -3.3616    3.1283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3533   -3.3671    1.9152 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0993   -1.9941    1.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8532   -2.1507    2.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3309   -4.4580    1.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4362   -4.6289    0.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5118   -5.6675    0.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5740   -6.5622    1.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9612   -8.0774    1.8836 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3170   -6.4166    2.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2592   -5.3707    2.9719 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  3  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 11 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  1  0  0  0  0
 32 34  4  0  0  0  0
 34 35  4  0  0  0  0
 29 35  4  0  0  0  0
M  END
$$$$
COVPDB1488
  Mrv2015 05262115503D          

 38 42  0  0  1  0            999 V2000
    0.3430   -8.0770   -1.0434 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -6.8303   -1.6221 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2906   -6.9836   -2.8558 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5939   -6.4292   -1.8006 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4622   -5.8190   -0.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1525   -6.1518    0.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8343   -5.1689    1.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8324   -3.8146    0.6905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1798   -3.4875   -0.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5061   -4.4725   -1.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4194   -2.7242    1.5301 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6907   -2.9460    2.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8172   -2.2999    1.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4997   -1.6314    1.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8418   -0.4468    1.7561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2719   -1.8521    2.6017 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1956   -3.1134    3.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5152   -3.2042    2.3353 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0874   -1.7915    2.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8160   -0.8937    2.6945 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8592    0.2219    1.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8165    1.4067    2.1213 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9487   -0.0500    0.3773 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0464    0.9364   -0.6502 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2954    1.4158   -0.9507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422    1.8180   -1.1998 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1112    0.7065   -1.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1572    1.8705   -0.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6430   -4.5717    2.8171 S   0  0  2  0  0  0  0  0  0  0  0  0
    1.8684   -5.9670    2.6382 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0081   -4.3853    4.3697 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1153   -4.5903    1.8111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1005   -3.9604    0.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2567   -3.9045   -0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4424   -4.5056    0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4668   -5.1706    1.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3120   -5.2262    2.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4397   -6.0874    3.6945 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  3  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 28  1  0  0  0  0
 18 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 32 37  4  0  0  0  0
 37 38  1  0  0  0  0
M  END
$$$$
COVPDB1489
  Mrv2015 05262115483D          

 12 13  0  0  1  0            999 V2000
    3.8300   -3.4236    0.0865 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3594   -3.2152   -0.2192 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3776   -2.3272   -0.7153 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3943   -2.5896    0.8321 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8730   -1.1925    0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2135   -1.2790   -0.8716 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9954   -2.6037    2.2746 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8853   -3.9251    2.8103 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4800   -2.1442    2.3342 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6023   -0.7819    1.9299 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4155   -3.0351    1.4652 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7240   -4.2372    2.1691 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$
COVPDB148
  Mrv2015 05262115563D          

 31 33  0  0  1  0            999 V2000
   -0.3249    0.7372   -7.7377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2901    2.0162   -7.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0559    2.0155   -5.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4917    2.4621   -4.8244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4604    1.5135   -5.7774 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4697    2.4287   -6.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5193    2.7888   -5.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7684    2.5623   -4.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9694    1.4178   -4.4209 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7443    0.3291   -3.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0847   -0.6189   -4.0748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1872    0.0938   -2.1482 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7159   -0.0554   -1.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8582    0.3369   -0.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5948    1.2389   -0.0104 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9751    2.7569    0.3411 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7191    3.5142   -0.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8933    2.7659    1.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7402    3.6536    0.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6311    0.9059   -1.0718 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2426    1.0413   -0.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8142    1.6445    0.1213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1849    0.3998   -1.7336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2447    0.3256   -1.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2204   -0.6137   -1.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5188   -0.7625   -1.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7945   -1.9116   -0.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168   -2.0403    0.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9884   -1.0280    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7259    0.1241   -0.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5018    0.2544   -1.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 26 31  4  0  0  0  0
M  END
$$$$
COVPDB1490
  Mrv2015 05262115483D          

 30 31  0  0  1  0            999 V2000
   -1.9017   -1.1962   -0.1193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5357   -1.0876    0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2619   -0.0470   -0.5793 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7881   -0.2178   -0.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    1.4395   -0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242    1.8624   -0.6581 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0522    1.4610   -2.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8755    3.3982   -0.4310 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0543    4.1328   -1.3419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7726    4.0103    1.0202 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4744    3.1415    2.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4093    4.4787    1.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2773    3.7674    2.2093 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2007    5.7679    0.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4846    7.1836    1.6856 P   0  0  1  0  0  0  0  0  0  0  0  0
    0.4406    8.3192    1.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9046    7.5482    1.0279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8520    7.9602   -0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2275    7.0640   -1.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1544    7.4338   -2.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7652    8.7410   -3.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4340    9.6632   -1.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4829    9.2777   -0.6358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7055    6.8901    3.2473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3773    7.8781    3.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7718    7.7620    4.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4795    8.7402    4.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7947    9.8374    5.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4039    9.9620    5.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6954    8.9821    4.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
M  END
$$$$
COVPDB1491
  Mrv2015 05262116033D          

 33 34  0  0  0  0            999 V2000
   -8.8375   32.0189    0.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9931   31.2195    0.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0234   30.3106   -0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4451   29.0384    0.4421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5185   27.9660    0.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0921   26.6711    0.7971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1708   25.5906    0.5526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5918   24.3154    1.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5172   23.2612    0.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9348   21.9826    1.2585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0209   20.8921    1.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6092   19.5993    1.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7207   18.4858    1.3982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1827   17.2198    1.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1411   16.1231    1.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5802   14.8406    2.1133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6654   13.8429    1.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7491   13.0516    0.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7640   12.0823    0.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6776   11.8721    1.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6423   12.6311    2.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6271   13.5970    2.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6468   10.9245    1.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9587    9.6087    0.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0567    8.6656    0.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4109    9.0085    0.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7347   10.3172    0.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7203   11.2661    1.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3647    8.0413    0.3956 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4731    8.3399   -0.8842 S   0  0  1  0  0  0  0  0  0  0  0  0
    4.8147    8.9691   -0.2765 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8074    6.9397   -1.5860 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8332    9.3708   -2.0189 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 20 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
M  END
$$$$
COVPDB1492
  Mrv2015 05282120053D          

 27 28  0  0  0  0            999 V2000
   -6.0991    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.5861    0.0000    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.1830    2.9642 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6180    0.7243    1.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.7264    1.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9324    2.0542    0.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9071    1.2531   -0.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3136    1.3027   -1.4286 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3462    0.4234    0.7321 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3666   -0.5870    0.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7341   -0.0368    0.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9263   -0.9634    0.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   -0.5603   -0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4991   -1.2151    0.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7740   -0.7665   -0.0157 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1290    0.5700    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8933    1.4126    1.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2242    2.7787    1.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8257    3.2971   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0739    2.4311   -1.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7172    1.1259   -1.0708 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6522   -1.6599   -0.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9711   -1.6236   -0.2473 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9204   -2.4336   -0.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5551   -3.3748   -1.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2063   -3.4584   -2.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2505   -2.6031   -1.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
M  END
$$$$
COVPDB1493
  Mrv2015 05262116103D          

 37 40  0  0  0  0            999 V2000
   -0.1868   -0.0608   -0.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275    0.6742   -0.4163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1646    1.1206    0.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5819    0.3105    1.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4247    0.7131    3.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8930   -0.1226    4.3125 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7059    0.3986    5.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5570   -1.5378    4.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7447   -2.4887    4.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4078   -3.9488    4.0949 N   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6282   -4.8075    4.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4725   -4.4198    3.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8028    1.9719    3.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5245    2.3279    4.8448 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5899    3.5706    5.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9762    4.5701    4.7701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724    3.7832    6.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1830    2.8545    7.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4341    2.8002    2.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6450    2.4044    1.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720    3.2322    0.0690 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8568    4.4969   -0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5291    5.2392   -1.1587 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0240    6.4918   -1.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9056    7.0471   -0.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2433    6.2837    0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7020    5.0436    0.8438 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0849    6.7479    1.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4353    8.0775    2.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2153    8.1660    3.1460 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7531    9.3750    3.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3979    6.9164    3.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1331    6.4692    4.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1920    5.0855    5.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5363    4.1679    4.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7982    4.6230    3.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7253    6.0103    2.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  5 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 19  4  0  0  0  0
 19 20  4  0  0  0  0
  3 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 26 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  1  0  0  0  0
 30 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 28 37  4  0  0  0  0
 32 37  4  0  0  0  0
M  END
$$$$
COVPDB1494
  Mrv2015 05262115503D          

 16 16  0  0  0  0            999 V2000
    7.0862   -0.2056    1.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8833   -0.8496    2.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0243   -1.8306    2.8188 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6672   -0.3639    1.6685 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076   -0.7759    2.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3756   -0.4340    1.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0457   -0.8176    1.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7307   -1.5550    2.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7364   -1.8889    3.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0694   -1.4837    3.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4173   -2.5981    4.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3728   -2.9358    5.5442 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2447   -2.9408    4.9261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0762   -0.4013    0.3370 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2930    1.0858    0.0382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7687   -1.4714   -0.5119 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
$$$$
COVPDB1495
  Mrv2015 05262115503D          

 21 22  0  0  1  0            999 V2000
    3.8919   -1.5133   -3.1607 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0882   -2.6579   -3.7804 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.7649   -4.0177   -3.9721 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5234   -2.3999   -4.2306 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1067   -3.3292   -5.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7055   -2.6275   -3.0779 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0320   -1.6956   -2.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0730   -0.5103   -2.8102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7429   -2.0415   -1.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4882   -3.2516   -1.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5714   -4.0650   -2.1868 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1927   -3.6139   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1819   -2.7783    1.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667   -1.5725    1.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7386   -1.1943   -0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0006    0.0174    0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4083   -0.0106    0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1358    1.1875    0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4638    2.4230    0.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0638    2.4616    0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6653    1.2661    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
  9 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
M  END
$$$$
COVPDB1496
  Mrv2015 05262115503D          

 14 14  0  0  0  0            999 V2000
    2.3977   -4.4588   -0.1873 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2645   -3.0309   -0.7247 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.2887   -2.5077   -1.7342 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0090   -2.0921   -0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3738   -0.7113   -0.1195 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4813    0.3262    0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7325    0.0159   -0.0470 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8804    1.7013    0.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0433    2.7800    0.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7341    2.6121    0.4076 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4138    4.1049    0.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7848    4.3954    0.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7100    3.3607    0.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2622    2.0395    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  8 14  4  0  0  0  0
M  END
$$$$
COVPDB1497
  Mrv2015 05262115503D          

 16 16  0  0  0  0            999 V2000
   -1.1057   -2.0887    2.1756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1909   -2.4363    0.6887 B   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4696   -3.0734    0.1350 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0512   -2.0691   -0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3083   -3.2146   -1.1261 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9918   -3.2428   -2.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4878   -2.1716   -2.7328 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -4.4579   -3.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1941   -5.5203   -2.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2025   -6.7036   -3.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1206   -6.8569   -4.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0478   -5.8383   -4.8724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0698   -4.6504   -4.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0277   -3.7713   -4.3822 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1267   -3.2570   -5.5393 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8204   -3.4630   -3.5817 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  CHG  2  14   1  15  -1
M  END
$$$$
COVPDB1498
  Mrv2015 05262115503D          

 14 14  0  0  0  0            999 V2000
    2.3865   -4.4505   -0.1860 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2446   -3.0234   -0.7248 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.2775   -2.4963   -1.7254 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9874   -2.0822   -0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -0.7074   -0.1213 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4871    0.3363    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7377    0.0609   -0.0252 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9096    1.6985    0.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    2.7641    0.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3158    2.5766    0.3894 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4144    4.0922    0.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7838    4.3954    0.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217    3.3687    0.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2894    2.0418    0.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  8 14  4  0  0  0  0
M  END
$$$$
COVPDB1499
  Mrv2015 05262115503D          

 15 15  0  0  0  0            999 V2000
    0.6164   -4.8713   -0.5643 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7795   -3.4231   -1.0325 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069   -3.1176   -2.2130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0151   -2.2164   -0.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7882   -1.0346   -0.1906 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3346    0.2171    0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8969    0.3215    0.3551 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1847    1.3812    0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6592    2.6433    0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6008    2.8227    0.9575 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4767    3.7862    0.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8437    3.7095    0.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3942    2.4898    0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5808    1.3442   -0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1983    0.2682   -0.4734 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  8 14  4  0  0  0  0
 14 15  1  0  0  0  0
M  END
$$$$
COVPDB149
  Mrv2015 05262115563D          

 26 28  0  0  1  0            999 V2000
    2.6900    3.3859    6.2722 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937    2.3814    5.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9626    1.4918    4.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6575    1.3683    3.7902 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1943    0.7549    6.0475 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0870   -0.2379    6.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2384   -1.5063    6.9532 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -1.4321    5.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0837   -0.0374    5.5529 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0905    0.5157    5.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1723    1.7683    5.0123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2992   -0.2084    4.5142 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0666   -1.0660    5.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1857   -2.4638    4.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5508   -2.3213    3.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0548   -1.1025    3.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4519   -0.7099    2.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2136    0.5097    2.0096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1349   -1.6010    1.2043 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5481   -1.2427   -0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6506   -2.3504   -1.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3399   -3.3610   -1.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2564   -4.3937   -2.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8243   -4.4398   -2.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8154   -3.4429   -2.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7322   -2.4092   -1.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
M  END
$$$$
COVPDB14
  Mrv2015 05262115453D          

 40 42  0  0  1  0            999 V2000
    4.6163   -8.4584    2.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2001   -8.0470    1.9060 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7266   -6.7882    2.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1821   -9.2122    2.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2611   -7.7101    0.4259 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4389   -8.5911   -0.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4781   -9.8594   -0.5907 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5907   -8.0899   -1.8977 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7612   -6.7083   -2.2647 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2148   -6.5021   -2.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7528   -6.1895   -3.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4782   -4.9694   -3.1252 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0834   -6.9008   -4.2266 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5791   -8.0670   -4.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3345   -8.9545   -5.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1803   -7.9450   -5.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7693   -6.5671   -4.7430 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1320   -5.8420   -3.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6842   -4.7743   -4.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897   -6.3332   -2.5474 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9762   -5.6950   -1.4623 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2067   -6.7248   -0.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1070   -7.8358   -0.7372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4947   -7.6011   -0.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3580   -8.6336   -1.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8453   -9.9172   -1.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4685  -10.1651   -1.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6025   -9.1313   -1.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2198   -4.5183   -0.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0105   -4.6072   -0.7351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8711   -3.3556   -0.7288 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2491   -2.2538   -0.3930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8513   -1.0283   -0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964   -0.9608   -0.4886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0783    0.1434   -0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3368    0.0689   -0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1164    1.2286    0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4986    2.4861    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0975    2.5805    0.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6844    1.4208    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
 21 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 35 40  4  0  0  0  0
M  END
$$$$
COVPDB1500
  Mrv2015 05262115533D          

 24 26  0  0  1  0            999 V2000
    0.9983    0.7311   -0.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8686    1.8275   -0.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3497    3.1218   -0.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0423    3.3168   -0.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9145    2.2168   -0.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4044    0.9087   -0.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3114   -0.2555   -0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917   -1.4074   -1.1075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3112   -2.6723   -1.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4007   -2.8828   -0.5317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6236   -3.6955   -1.7344 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5922   -3.4655   -2.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075   -4.8479   -2.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1063   -5.8741   -2.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -5.0671   -1.7779 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5174   -5.6460   -0.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6301   -6.2271   -0.5079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8377   -5.5772    0.7312 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4803   -5.0350    0.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6690   -4.9057    2.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2267   -6.0213    2.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3913   -6.0799    1.9637 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5483   -5.2623    2.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6642   -5.7873    2.6156 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
$$$$
COVPDB1501
  Mrv2015 05262115433D          

 37 40  0  0  1  0            999 V2000
   -5.6744   -5.6364   -8.3109 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5604   -4.9825   -8.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9505   -4.4735   -9.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583   -4.8584   -6.7306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8801   -5.0758   -5.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3594   -4.9975   -4.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9908   -4.7142   -4.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1733   -4.4711   -5.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966   -4.5359   -6.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4335   -4.6918   -2.6755 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8537   -3.3974   -2.4164 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0593   -2.6063   -1.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8657   -2.9404   -0.4250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3454   -1.4411   -1.2071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4184   -0.5206   -0.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3887    0.5456   -0.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9825    0.1958   -0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9809    1.1850   -0.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6217    2.5412   -0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2638    2.9076   -0.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7349    1.9166   -0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442   -5.9081   -2.3589 P   0  0  2  0  0  0  0  0  0  0  0  0
    0.0821   -5.2962   -2.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0580   -6.9421   -3.5798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9463   -7.9795   -3.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9707   -9.0711   -2.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8723  -10.1350   -2.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7240  -10.1436   -4.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6767   -9.0868   -5.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7890   -8.0156   -4.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6008   -6.7566   -1.0424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8287   -6.0540    0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8023   -5.3774    0.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0939   -4.6559    1.9775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4022   -4.6507    2.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4211   -5.3568    1.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1343   -6.0570    0.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 10 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 22 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 32 37  4  0  0  0  0
M  END
$$$$
COVPDB1502
  Mrv2015 05262115483D          

 14 14  0  0  1  0            999 V2000
   -4.1347    4.8522    2.8302 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4124    5.0603    1.3997 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3183    3.7333    0.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9118    3.0768    0.6431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8254    1.7246   -0.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4419    1.0371    0.0688 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9497    0.0845   -1.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3779    1.4325   -0.8730 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9753    0.7237    1.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0515    1.4196    1.9710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5451   -0.1646    2.1017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7463    5.6836    1.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8925    6.8934    0.6960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7682    5.1085    1.7223 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
$$$$
COVPDB1503
  Mrv2015 05262115483D          

 14 14  0  0  1  0            999 V2000
   -3.4064   -3.2906    2.2496 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276   -3.7995    1.2759 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3213   -2.7495    0.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8798   -1.4472    0.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7823   -0.4032   -0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3800    0.8568   -0.7028 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6356    2.1811   -0.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8637    1.9066    0.2133 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1368    0.6957   -1.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4755    0.8917   -1.9780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5449    0.3398   -2.9998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8573   -5.0560    1.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9972   -6.2145    1.1149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2354   -5.0776    2.8914 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
$$$$
COVPDB1504
  Mrv2015 05262115553D          

 25 25  0  0  1  0            999 V2000
    1.5478   -1.9706    1.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6454   -1.8410    0.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3402   -2.8727   -0.1304 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1512   -0.6197    0.1802 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.3064   -0.8509 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0492    0.1391   -2.1531 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6646   -0.9218   -2.8138 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1691   -1.9400   -3.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9915   -2.6125   -4.2871 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0545   -2.3092   -3.5199 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9637    0.9158   -3.1524 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2379    1.3895   -4.2258 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483    2.0564   -2.4413 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6971    2.5359   -3.3149 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4975    1.4693   -1.3554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345    0.8339   -0.3008 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7579    0.3548    0.7840 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5875   -0.6729    0.2385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6658    1.5040    1.3342 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8709    2.4587    2.0392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7887    1.0360    2.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8123    0.3281    1.6019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9539    3.2435   -2.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3409    3.4118   -2.3889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4839    4.1389   -1.3279 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  5 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
$$$$
COVPDB1505
  Mrv2015 05262116043D          

 36 37  0  0  1  0            999 V2000
    2.5307   -1.7934    0.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5297   -0.4369   -0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9513   -0.1018   -1.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830    1.1615   -1.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8891    1.6773   -2.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7346    1.0519   -2.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1683    1.7833   -3.4548 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5577   -0.3002   -2.9557 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6263   -1.0173   -3.3094 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2408   -2.3850   -3.4239 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7842   -0.8574   -2.2702 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3569   -1.1994   -0.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1923   -0.5701    0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138   -1.4497    0.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0194    0.7557    0.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5320    1.6858    1.4891 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9088   -1.7002   -2.5955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5969   -1.6839   -3.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5339   -2.7042   -4.4931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3864   -0.6137   -4.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4288   -0.1429   -5.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1876    0.8984   -5.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7811    2.2142   -5.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7982    3.1462   -6.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4391    2.7597   -5.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6853    3.5045   -3.8257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6054    4.7676   -3.6529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0516    2.7326   -2.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7584    3.1416   -1.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2138    2.2222   -0.6243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7546    2.5818    0.8172 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3196    2.7325    0.8888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3917    1.6238    1.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5435    1.3862    3.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0981    1.2235    2.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0868    1.2769    4.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 16 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 16 35  1  0  0  0  0
 34 36  2  0  0  0  0
M  END
$$$$
COVPDB1506
  Mrv2015 05262115463D          

 28 28  0  0  1  0            999 V2000
   -0.1134   -7.5989   -4.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5628   -6.3044   -3.5333 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6848   -5.7684   -4.2497 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6610   -4.8766   -3.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3644   -4.5365   -4.8878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9813   -4.3262   -2.5607 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4560   -3.8257   -2.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9116   -3.5732   -0.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3793   -3.0938   -0.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6658   -2.8404    0.5081 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5923   -2.0181    0.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6047   -1.7828    2.2806 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4710   -1.4382    0.2635 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0910   -3.2450   -2.2511 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4644   -3.0350   -1.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5840   -3.8250   -0.0958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7231   -1.8973   -0.9407 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0385   -1.4882    0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5396   -0.1105   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3784    0.9585   -0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0740    2.2685   -0.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4505    2.5290   -0.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3746    1.4792   -0.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9228    0.1682   -0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7177   -6.5659   -2.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0017   -5.9180   -1.2781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5997   -7.6202   -1.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0738   -7.2967   -0.2786 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
  2 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$
COVPDB1507
  Mrv2015 05262115503D          

 44 45  0  0  1  0            999 V2000
   -2.1494   -7.3719    2.8014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1542   -6.7426    3.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7161   -7.0026    4.4083 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8472   -6.2262    4.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0508   -5.4028    3.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7887   -5.6664    2.4274 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7650   -4.3922    2.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2936   -3.0786    1.5563 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9782   -3.3680    0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3188   -3.6435   -0.8387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9217   -3.8739   -2.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1695   -3.8436   -2.1993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0999   -4.1430   -3.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1005   -2.1851    2.3430 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6499   -1.4168    3.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5643   -1.6845    3.9467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3305   -0.1429    3.7439 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8324   -0.2415    4.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4577    1.1111    4.6525 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.0117    1.0547    4.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9451    1.5384    6.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0506    0.8160    2.7113 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5036    0.8248    1.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4148    0.0479    1.0491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9086    1.7326    0.4100 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3786    1.9857    0.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5639    0.8129    0.4457 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1915    0.8335    0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3915    1.9429    0.5029 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6194   -0.4299    0.2825 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0672   -1.3118   -0.8854 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5557   -1.2164    1.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1269   -0.1279   -0.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7543    2.8871    0.2560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5027    4.1912    0.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3683    5.0230    0.1892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3851    4.5970    1.2065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9391    5.9273    1.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5143    6.0263    1.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1094    6.8154   -0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2495    6.9110   -0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2200    6.2212    0.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    5.4045    1.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5319    5.3041    1.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 25 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 39 44  4  0  0  0  0
M  END
$$$$
COVPDB1508
  Mrv2015 05262115503D          

 45 47  0  0  1  0            999 V2000
   -7.7001    0.2185    8.8763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5932   -0.0721    7.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6548   -0.2124    6.8635 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3278   -0.6055    5.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7877   -0.4962    5.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3199   -0.3617    6.9860 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2170    0.7213    7.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7719    0.4052    6.7249 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2792   -0.8433    7.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5525   -0.9102    8.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1214   -2.0926    9.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2897   -3.2039    8.4725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157   -2.0982   10.3803 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2301   -1.2910   10.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1669   -2.8194   10.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6439    0.3261    5.2965 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8152    1.3428    4.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1027    2.4989    4.7915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6469    1.0966    2.9373 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3356   -0.2368    2.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5141   -0.4753    0.9525 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5427    0.4874    0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8954   -1.9575    0.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2336    1.1100    2.6723 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6173    1.5548    1.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2914    2.0167    0.5822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1319    1.5337    1.3933 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4988    0.0984    1.4950 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5889   -0.4972    2.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2217   -0.9097    0.7353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0201   -1.1983   -0.6795 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4123   -0.9377   -1.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0598   -0.4188   -1.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3221   -2.7259   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4676    2.4797    2.3047 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4922    3.8400    2.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0048    4.3962    1.1512 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0991    4.5942    3.1309 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1410    6.0342    3.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4942    6.6615    3.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6934    5.9106    3.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9468    6.5552    3.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0230    7.9581    3.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8436    8.7180    3.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5915    8.0745    3.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 27 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 40 45  4  0  0  0  0
M  END
$$$$
COVPDB1509
  Mrv2015 05262115493D          

 22 24  0  0  1  0            999 V2000
   -6.6677   -0.3744   -1.4077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2608   -0.5053   -2.3692 S   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6845   -0.4493   -3.9136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5531   -1.9029   -2.0361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2127    0.7894   -1.9885 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6462    1.8273   -2.7808 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5421    1.4434   -3.7835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2202    1.4690   -2.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5167    2.0200   -1.6908 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9091    2.2708   -1.4940 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6255    1.1645   -0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6332    0.7098    0.3081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5781    2.2214   -0.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9162    2.7617    0.3752 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7094    1.8033   -0.8812 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7668    1.8372    0.0909 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4618    1.0178    1.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9251   -0.4231    1.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9746   -1.4842    0.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2640   -0.9819    0.1924 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2123   -0.0857   -0.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1006    1.4100   -0.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
$$$$
COVPDB150
  Mrv2015 05262115563D          

 25 27  0  0  1  0            999 V2000
    5.9689    7.8659   -3.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9890    8.7653   -2.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3128    8.3110   -2.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6164    6.9593   -2.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5953    6.0618   -3.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2561    6.5009   -3.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1686    5.5545   -3.7391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2695    5.1945   -2.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1230    4.2176   -2.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3303    3.8411   -1.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    3.0731   -0.9016 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0456    4.2770   -1.4144 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3201    5.2223   -2.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1029    5.3111   -1.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0393    4.5992   -0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3478    3.9080   -0.2128 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2684    2.4358    0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6665    2.0677    1.1846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1896    1.4740   -0.8349 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6264    1.7345   -2.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1035    0.3855   -2.7416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3252   -0.4613   -1.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2761    0.0796   -0.4905 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9478   -0.5510   -0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9633   -1.0788   -0.7040 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  3  0  0  0  0
M  END
$$$$
COVPDB1510
  Mrv2015 05262115493D          

 22 24  0  0  1  0            999 V2000
    2.8757    6.9062    5.0661 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8177    7.8808    5.9874 S   0  0  2  0  0  0  0  0  0  0  0  0
    0.3449    7.2513    5.9356 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7980    9.3530    5.3569 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3665    7.9599    7.6016 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7395    7.6501    8.8399 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5793    8.5533    9.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    9.6523   10.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6342    9.4162   10.1826 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0141    8.2141    9.5108 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4950    8.4025    8.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5529    8.8663    7.6631 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5523   10.2639   10.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7736    9.9730   10.6992 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1675   11.4299   11.3531 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0607   12.4536   11.8188 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3911   13.2735   12.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3980   14.1298   13.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8562   15.4651   13.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8676   15.5400   11.6573 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5045   14.4337   10.9151 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875   13.3149   10.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
$$$$
COVPDB1511
  Mrv2015 05262116023D          

 22 23  0  0  1  0            999 V2000
    5.3058   -0.3735    5.4662 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6695   -0.8600    4.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3486   -1.5891    3.5886 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2885   -0.6481    4.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5063    0.0220    5.2364 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2906    0.0182    4.7818 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235   -0.6292    3.6589 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529   -1.0740    3.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0429   -0.8121    2.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4896   -2.2759    2.9058 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2201   -2.5795    4.3500 B   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5433   -1.8887    4.6982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6795   -3.6822    5.2607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4051   -2.7197    1.8935 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1260   -2.0052    0.9808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1117   -0.7528    0.9385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9101   -2.7421   -0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2463   -2.1666   -0.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4921   -2.6716    0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6120   -1.9383   -0.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3231   -0.8065   -1.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5784   -0.7181   -1.2329 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 18 22  4  0  0  0  0
M  CHG  1   3  -1
M  END
$$$$
COVPDB1512
  Mrv2015 05262115403D          

 29 30  0  0  1  0            999 V2000
   -2.8576   -5.0130   -3.9928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8594   -3.7442   -3.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6419   -3.0718   -3.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6372   -1.7711   -2.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8506   -1.1260   -2.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0686   -1.8030   -2.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0750   -3.0997   -3.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8723    0.1999   -1.7349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891    0.0103   -0.2131 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0633   -0.6448    0.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2588   -1.7487    1.0660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8311   -0.0639    0.5202 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3628   -0.6388    1.0716 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5008   -0.2811    2.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5290   -0.1587    0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7082    1.0749    0.1389 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5057   -1.0816   -0.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1727   -1.7999    0.6208 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6607    1.1021    0.5848 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4592    2.1393    0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4379    2.7054   -0.9033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4196    2.5149    1.1041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4468    1.5631    1.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4328    2.0742    2.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2704    1.8196    3.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2843    2.1632    4.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4619    2.7819    4.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6067    3.0978    2.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5934    2.7543    1.9794 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
M  END
$$$$
COVPDB1513
  Mrv2015 05262115513D          

 24 24  0  0  1  0            999 V2000
    1.5069    0.0539   -0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1248   -0.2126    0.0426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5926    0.2368    1.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0596    0.9653    1.9856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0115   -0.1579    1.2602 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9697    1.0704    1.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0248    1.6450   -0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9156    1.1211   -1.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9934    1.6765   -2.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1721    2.7635   -2.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3114    3.2957   -4.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0827    4.7327   -4.8406 Se  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4473    6.4558   -4.2441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931    4.3080   -5.0907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2700    3.2784   -1.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1965    2.7278   -0.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0761   -0.9743    2.4397 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5765   -0.6979    3.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4082   -1.5970    4.5230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1974    0.4820    3.9787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8007    0.9856    5.1923 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2365   -0.1118    6.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7666    1.9500    5.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0612    1.7785    4.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 10 15  4  0  0  0  0
 15 16  4  0  0  0  0
  7 16  4  0  0  0  0
  5 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
$$$$
COVPDB1514
  Mrv2015 05262116143D          

 33 34  0  0  1  0            999 V2000
    2.5970   -2.3210   -1.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0979   -1.0649   -0.2348 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8076   -1.5029    1.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9788   -0.1706   -1.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4694    1.2305   -0.6829 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4216    1.1535    0.3917 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7778    1.1305    0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3145    1.1308   -0.8805 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5547    1.1168    1.3784 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9919    1.1663    1.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5277    1.2108    2.7649 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5422    0.3244    3.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0537    0.3972    4.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5655    1.3606    5.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5528    2.2612    5.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0431    2.1752    3.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3845    2.1887   -0.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2524    3.2163   -1.0550 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5544    1.9741    0.7106 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4661    2.8162    1.1211 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1410    1.9938    1.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2553    1.6093   -0.4493 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5676    2.8175   -1.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552    2.4454   -2.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483    1.3186   -1.4563 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5053    0.8393   -0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7569   -0.1910    0.1279 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7437    3.3454    2.5588 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7073    4.2275    2.9793 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3062    4.2986    2.6825 S   0  0  2  0  0  0  0  0  0  0  0  0
    3.3382    5.5042    1.4705 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5780    3.3446    2.4857 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3995    5.0182    4.1107 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
  5 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 20 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  2  0  0  0  0
M  END
$$$$
COVPDB1515
  Mrv2015 05262115553D          

 12 12  0  0  1  0            999 V2000
    1.4200    0.2724    0.3330 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2731   -0.3160   -0.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4801    0.7294   -1.1417 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3737    1.3695   -2.1203 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7428    0.5677   -3.2622 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5321    1.3898   -4.1180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5003    0.0472   -4.0333 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1497    1.1351   -4.6938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4950   -0.6673   -3.0755 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9777   -1.9499   -2.7210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7837    0.1870   -1.8077 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6144    1.2897   -2.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$
COVPDB1516
  Mrv2015 05262115433D          

 12 12  0  0  1  0            999 V2000
   -0.0560    0.5881    1.1241 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3779   -0.0520   -0.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2467    0.6348   -1.3117 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1858    2.0159   -1.3391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3960    2.8066   -2.3990 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1251    4.1258   -2.2947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0716    2.2148   -3.7962 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7327    2.9243   -4.7728 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4817    0.7180   -3.8507 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0885    0.1304   -5.0906 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172   -0.0738   -2.6543 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5335   -0.1717   -2.8161 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$
COVPDB1517
  Mrv2015 05262115503D          

 24 27  0  0  1  0            999 V2000
    3.1993    6.1300    2.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9864    5.0784    1.2007 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2282    4.4132    0.9709 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9079    4.0209    1.5663 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5630    2.9900    0.4272 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2251    1.4779    0.5412 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5904    0.8316    1.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2090    1.4371    0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0226   -0.0557   -0.1085 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1395   -0.2068   -1.9313 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9667   -1.4682   -2.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0101   -2.2202   -3.0518 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9834   -3.4253   -3.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2390   -3.5901   -4.1837 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9268   -2.4669   -3.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1188   -1.6572   -3.2048 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.2445   -0.3807   -2.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7617    2.6620    0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2473    3.4354    0.6079 N   0  0  1  0  0  0  0  0  0  0  0  0
    0.4995    4.4293    1.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2092    5.2404    2.0936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0773    3.0668    0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0933    2.1942   -0.0677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3771    4.2815    0.1649 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 10 17  1  0  0  0  0
  8 18  2  0  0  0  0
 18 19  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  2  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  CHG  1  16   1
M  END
$$$$
COVPDB151
  Mrv2015 05262115563D          

 26 28  0  0  1  0            999 V2000
   -2.1227   -0.0896   -6.7356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1615    0.0922   -5.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0511   -0.8841   -4.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0041   -0.4465   -3.4983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0109   -2.3549   -4.9255 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3221   -2.8596   -5.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6825   -4.1356   -4.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9841   -3.9470   -3.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8099   -3.1751   -3.7465 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6066   -3.1920   -3.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7315   -2.3489   -3.3542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1769   -4.1486   -1.9558 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1812   -5.6348   -2.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8725   -6.3981   -1.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6087   -5.3252   -0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9078   -4.1063   -0.7139 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8571   -3.0772    0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5411   -3.1521    1.2608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0425   -1.9933    0.0486 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8335   -0.9846    1.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0668    0.1574    0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3201    0.0437    0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0466    1.1466   -0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3960    2.3673   -0.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0177    2.4874   -0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7073    1.3907    0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
M  END
$$$$
COVPDB152
  Mrv2015 05262115453D          

 13 14  0  0  0  0            999 V2000
   -1.7015   -1.0559    2.6170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -1.2249    1.0631 P   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6351   -2.4843    0.7748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5307   -1.1650    0.3411 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0153    0.0178   -0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1786   -0.0313   -0.5247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7018    1.2413    0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0905    2.4976   -0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8519    3.6779   -0.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2256    3.6154    0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8386    2.3740    0.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0893    1.1812    0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7987    0.0169    0.5337 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 12 13  1  0  0  0  0
  2 13  1  0  0  0  0
M  END
$$$$
COVPDB153
  Mrv2015 05262115593D          

 20 21  0  0  1  0            999 V2000
   -1.4452    7.2259   -6.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7882    7.4156   -5.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0745    8.4257   -5.0892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9944    6.4769   -4.3277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4254    6.4742   -3.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8417    5.2919   -2.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7117    4.0251   -2.7354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1521    2.9727   -2.0171 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0984    2.8940   -0.9611 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5635    4.1533    0.2349 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4023    5.5791   -0.9012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6848    1.4010   -0.7982 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9845    1.0520    0.3966 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4181   -0.1603    0.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4715   -1.0918   -0.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8054    1.6805   -1.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0157    0.9681   -2.5510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350    3.7210   -3.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7284    2.8221   -4.7898 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9442    4.2253   -4.3552 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  2  0  0  0  0
  7 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
$$$$
COVPDB154
  Mrv2015 05262115593D          

 37 40  0  0  1  0            999 V2000
    5.0041    3.9157    3.5842 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9732    3.5013    2.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080    2.2881    2.2542 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6508    2.0601    1.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7723    3.1647    1.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515    4.4468    2.4429 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3380    0.8511    0.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    0.9794   -0.1110 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0741    0.0738   -0.8579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3566    0.2051   -0.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828   -1.0462   -1.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5502   -1.3314   -2.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9685   -2.5421   -3.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -2.8052   -4.6225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7332   -3.4495   -2.6834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1515   -4.6288   -3.2033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0638   -3.1206   -1.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6422   -1.9486   -0.8100 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9821   -1.7290    0.4350 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7563   -0.4096    1.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101   -1.4505    0.8359 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6092   -0.5738    2.4355 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9770   -1.8376    2.9972 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0060   -2.2806    4.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8221   -3.0629    4.9821 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9950   -2.4583    4.9565 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1940   -1.8000    3.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2512   -1.2453    3.4075 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9150   -2.5784    6.0599 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2436   -2.2797    7.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1205   -1.2222    8.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0788   -0.8560    7.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9554    0.0261    7.2503 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541   -1.5951    5.9990 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5207   -3.9337    6.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8453   -4.1146    5.7941 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8127   -4.9567    6.1466 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  2  0  0  0  0
 13 15  4  0  0  0  0
 15 16  1  0  0  0  0
 15 17  4  0  0  0  0
 17 18  4  0  0  0  0
 11 18  4  0  0  0  0
 18 19  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  2  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
M  CHG  1  19  -1
M  END
$$$$
COVPDB155
  Mrv2015 05262115593D          

 34 36  0  0  1  0            999 V2000
    5.7298   -2.8456    4.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9527   -1.4993    4.2821 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8814   -0.2655    4.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6474   -1.5687    3.3978 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4308   -0.4930    2.4799 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2976   -0.2740    1.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3768   -1.1263    1.7823 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1342    0.8938    0.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5209    0.8640   -0.1401 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0545   -0.1701   -0.7378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2947    0.0350   -1.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7942   -1.2556   -1.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4257   -1.6217   -3.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8983   -2.8248   -3.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5759   -3.1341   -4.7598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7263   -3.6679   -2.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2342   -4.8240   -3.3212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0440   -3.2873   -1.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5809   -2.1136   -0.9938 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9178   -1.8417    0.2412 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6082    2.1390    1.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420    3.3721    0.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1628    4.6111    1.7449 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    3.4936    2.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6209    3.7907    3.9558 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3887    2.2686    2.5632 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9545   -1.3783    4.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7468   -1.2942    4.9838 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0700   -1.3055    5.3869 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2720   -1.0171    6.6486 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1828   -2.4139    7.6385 S   0  0  2  0  0  0  0  0  0  0  0  0
    3.3180   -1.9700    9.0427 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6612   -2.8476    8.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4114   -3.6249    6.9294 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  2  0  0  0  0
 14 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 12 19  4  0  0  0  0
 19 20  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  1  0  0  0  0
 24 26  4  0  0  0  0
 21 26  4  0  0  0  0
  4 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  2 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  2  0  0  0  0
M  CHG  1  20  -1
M  END
$$$$
COVPDB156
  Mrv2015 05262115593D          

 40 42  0  0  1  0            999 V2000
   10.8565   -8.0281   -0.7288 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6554   -6.6144   -0.7553 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5798   -5.8506    0.2124 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0406   -5.7084   -0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7297   -4.8041    0.6215 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3219   -4.8051    0.4871 P   0  0  1  0  0  0  0  0  0  0  0  0
   15.8995   -3.5738    1.3041 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8588   -6.0449    1.0617 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7469   -4.7027   -1.0473 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3829   -3.3611   -1.8417 P   0  0  2  0  0  0  0  0  0  0  0  0
   14.7568   -3.8313   -3.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6183   -2.6043   -2.0717 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3022   -2.4746   -1.0646 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7402   -1.2084   -1.8566 P   0  0  2  0  0  0  0  0  0  0  0  0
   12.7434   -0.4437   -0.8882 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8941   -1.6819   -3.1088 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8133   -0.3000   -2.2724 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9478   -4.5726    0.3387 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5258   -4.7975    0.3866 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2605   -6.1859   -0.2630 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7373   -7.1111    0.6947 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8012   -3.7410   -0.2649 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2854   -2.7974   -1.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3145   -1.9795   -1.5556 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1895   -2.4196   -0.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4813   -3.5096   -0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5127   -4.1400    0.5487 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2237   -3.6912    0.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2033   -4.2491    1.1712 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2924   -5.4154    1.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9392   -5.6644    2.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -6.9061    3.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6968   -7.0432    4.2978 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828   -8.0249    5.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2305   -8.9041    5.4833 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1393   -8.0958    5.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -7.2453    5.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9181   -2.6231   -0.3217 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8617   -1.9740   -1.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5410   -1.0077   -1.7857 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
  3 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 22 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 28 38  4  0  0  0  0
 38 39  4  0  0  0  0
 25 39  4  0  0  0  0
 39 40  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  38
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB157
  Mrv2015 05262115593D          

 40 42  0  0  1  0            999 V2000
   11.0706   -7.6196   -1.8492 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157   -6.3653   -1.2682 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6312   -5.9736   -0.0858 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9350   -5.2460   -0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6193   -4.8605    0.7272 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9411   -3.9759    0.5571 P   0  0  2  0  0  0  0  0  0  0  0  0
   15.9080   -4.6738   -0.4874 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6153   -3.9434    1.8630 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5474   -2.4689    0.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8750   -1.9274   -1.2870 P   0  0  1  0  0  0  0  0  0  0  0  0
   16.4102   -2.1839   -1.6067 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0494   -2.5891   -2.3028 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6601   -0.2989   -1.3511 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2356    0.2818   -0.7839 P   0  0  1  0  0  0  0  0  0  0  0  0
   13.1817    0.1194    0.7924 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2027    1.8387   -1.0987 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0763   -0.3649   -1.4079 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8695   -5.1168    0.7736 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4771   -5.2496    0.4612 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3414   -6.3847   -0.5832 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1097   -7.6398    0.0597 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9408   -4.0007   -0.0101 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5950   -2.9634   -0.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7545   -1.9580   -0.9033 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5413   -2.3764   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6514   -3.6382    0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5710   -4.2855    0.5477 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3405   -3.6984    0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2413   -4.2961    1.0265 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2460   -5.5350    1.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8944   -5.7402    2.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9262   -6.8898    3.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6852   -6.9893    4.2231 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414   -7.8602    5.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3423   -8.6509    5.6206 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269   -7.9173    5.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8537   -7.1776    5.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2072   -2.4654   -0.0819 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2734   -1.7815   -0.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1207   -0.6527   -1.1056 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
  3 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 22 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 28 38  4  0  0  0  0
 38 39  4  0  0  0  0
 25 39  4  0  0  0  0
 39 40  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  38
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB158
  Mrv2015 05262115593D          

 25 26  0  0  1  0            999 V2000
   -2.0671    8.8109   -4.3375 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6802    7.4368   -4.7121 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1349    6.7165   -3.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5606    5.5726   -3.2261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1719    7.2886   -2.7486 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3239    6.7294   -1.5233 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7120    7.3057   -1.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7556    6.9972   -2.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4908    5.7922   -2.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4632    5.4968   -3.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7101    6.4037   -4.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9872    7.6188   -4.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0135    7.8963   -3.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2268    8.5340   -5.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1666    8.2981   -6.2129 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5856    9.6038   -5.3887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8007    7.0239   -0.3500 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9603    6.0460   -0.1410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    8.2580    0.5495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8018    6.6715   -5.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5166    5.6926   -6.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5324    4.8619   -6.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8543    5.0106   -6.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1594    5.9847   -5.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1418    6.8062   -4.9006 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  6 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
M  END
$$$$
COVPDB159
  Mrv2015 05262116093D          

 18 19  0  0  0  0            999 V2000
    1.1644   -0.0052   -0.0011 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0161   -0.0156   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2782   -0.0162    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9474    1.1329    0.2568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3038    1.1751    0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0773    0.0161   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3351   -1.1634   -0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9761   -1.1516   -0.2476 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5045    0.0629   -0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0808    1.1440    0.2635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2777   -1.0247   -0.3160 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7053   -1.0074   -0.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2633   -2.3813   -0.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3853   -3.1562   -1.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9722   -4.4354   -1.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4307   -4.9594   -0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2894   -4.2126    0.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7050   -2.9337    0.8643 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
M  END
$$$$
COVPDB15
  Mrv2015 05262115443D          

 27 27  0  0  1  0            999 V2000
   -1.1320    4.1766    2.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0714    4.4013    1.8089 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4181    5.9218    1.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3302    3.5064    2.1407 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0064    1.8895    2.3353 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.9051    1.0637    3.2606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2383    1.2205    1.7455 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515    3.6273    1.3183 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5552    4.0467   -0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4073    4.9156   -0.3258 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    3.5235   -1.1643 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9598    4.6330   -1.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8995    2.4229   -0.8429 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6809    1.3140   -1.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    1.1404   -2.6886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2399    0.4233   -1.1202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8090   -0.8080   -1.6266 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3978   -1.1750   -3.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3569   -0.6345   -1.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3493   -1.9244   -0.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7888    3.3185    1.9131 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9016    3.3095    3.1652 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0512    2.9085    1.2160 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1276    4.0146    1.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9228    3.7303   -0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2441    2.5068   -0.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9064    2.4426   -0.1766 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
$$$$
COVPDB160
  Mrv2015 05262115593D          

 42 44  0  0  1  0            999 V2000
   -5.2147   -2.9585    0.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9336   -2.2376    0.6852 N   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7393   -3.0593    0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4328   -2.3379    0.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3816   -0.9163    0.4650 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6141   -0.1434    0.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8687   -0.9230   -0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1584   -0.2737    0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1131    0.9630    0.0948 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0386   -0.9497    0.3642 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3139   -0.4151   -0.0387 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4921   -1.3614    0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5524   -1.6026    1.8809 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7777   -2.4016    2.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6969   -2.4331    3.8175 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6553   -3.1422    4.3723 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5693   -3.5723    5.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4954   -3.3931    6.3636 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5626   -4.1918    6.1282 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2626   -0.0528   -1.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9137    0.9528   -1.8502 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3865   -0.7107   -2.3076 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6399   -0.1567   -3.4029 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3631    0.8329   -4.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5777    0.2418   -5.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2490    1.3143   -5.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7074    1.7491   -7.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3009    2.8117   -7.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4423    3.4509   -7.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0009    3.0185   -6.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4089    1.9549   -5.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0269   -1.2082   -4.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1349   -0.9606   -4.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8203   -2.1306   -5.9750 S   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4144   -1.9392   -6.0308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5070   -3.6207   -5.4620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0855   -1.8980   -7.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2985   -2.1267   -7.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9183   -1.9143   -8.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1575   -1.4720  -10.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2243   -1.2505   -9.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8445   -1.4588   -8.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 11 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 26 31  4  0  0  0  0
 23 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  2  0  0  0  0
 34 37  1  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 37 42  4  0  0  0  0
M  END
$$$$
COVPDB161
  Mrv2015 05262115593D          

 16 18  0  0  1  0            999 V2000
    1.5346   -0.0564   -0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0948   -0.0196   -0.0927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4023    0.6005    1.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6733    1.9836    1.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -0.1437    2.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1477    0.4967    3.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3803    1.8921    3.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1519    2.6402    2.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8376    2.5566    4.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0906    3.9510    4.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8598    4.6736    3.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4029    4.0290    2.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6106    4.6972    5.6934 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6983    4.6981    6.8059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9613    4.0554    7.0271 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9077    4.7863    7.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$
COVPDB162
  Mrv2015 05262115593D          

 10  9  0  0  0  0            999 V2000
   -0.9250   -0.6898    1.9320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3510   -0.5840    0.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2855   -1.5872    0.3106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4410    0.5605   -0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0765    0.4710   -1.3715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8683    1.7475    0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9701    2.9006   -0.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3623    4.0743    0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4539    5.2390   -0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8191    6.3094   -0.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
$$$$
COVPDB163
  Mrv2015 05262115483D          

 24 28  0  0  1  0            999 V2000
   -0.6827   -4.5708    2.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1227   -5.6517    2.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5305   -5.5841    2.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1485   -4.4361    1.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3253   -3.3833    1.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0713   -3.4306    1.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7506   -1.8568    0.6342 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1356   -1.3789    0.3508 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7046   -2.2952    0.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9518   -2.1752    0.8943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2090   -0.2795   -0.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0637    1.0670    0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8741    1.4217    0.9833 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8816    1.8940   -0.4319 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9529    3.3340   -0.4670 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4758    4.1254    0.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348    5.6684    0.5738 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2285    6.1084   -0.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537    5.3428   -1.9255 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0928    3.8068   -1.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7560    5.6703   -2.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6150    5.2457   -0.9702 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1303    6.0204    0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4564    3.7086   -0.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  6  9  4  0  0  0  0
  9 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 17 23  1  0  0  0  0
 22 24  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
$$$$
COVPDB164
  Mrv2015 05262115593D          

  8  8  0  0  0  0            999 V2000
    1.4764   -0.3749   -0.5368 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4262    0.3337    0.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.6070    1.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1538    2.1945    2.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3116    1.5106    2.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4675    2.2948    3.7708 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5907    0.2305    2.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7231   -0.3580    1.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
M  END
$$$$
COVPDB165
  Mrv2015 05262115593D          

  9  9  0  0  0  0            999 V2000
    0.8323    3.2843   -4.3150 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8994    2.4657   -3.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3832    1.1615   -3.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4443    0.2738   -2.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0140    0.6888   -1.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0476   -0.3942    0.2500 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5505    1.9869   -0.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4893    2.8782   -2.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9841    4.0798   -1.9632 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
$$$$
COVPDB166
  Mrv2015 05262115593D          

 11 12  0  0  0  0            999 V2000
    1.1271   -0.9066    0.1157 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7661    0.8007    0.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5122    1.3180    1.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1731    2.6685    1.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0909    3.5220    0.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    3.0317   -0.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2684    3.9039   -1.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5233    3.4309   -3.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8714    2.0860   -3.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9632    1.2109   -2.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034    1.6586   -0.9184 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  2 11  4  0  0  0  0
  6 11  4  0  0  0  0
M  END
$$$$
COVPDB167
  Mrv2015 05262115593D          

 11 12  0  0  0  0            999 V2000
    2.1362    1.0121    4.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5007    0.9740    4.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860    0.6110    4.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1201    0.2810    2.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7595    0.3237    2.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7928    0.6822    3.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1559    0.0594    1.1627 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8356    0.2535    1.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    0.6311    2.6463 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2132    0.0359    0.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7410   -1.6860    0.4786 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  6  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   9
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB168
  Mrv2015 05262115593D          

 13 14  0  0  0  0            999 V2000
   -0.2762    4.5508    1.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7624    5.8339    1.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1371    6.0382    1.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0433    4.9603    1.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5413    3.6878    1.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1832    3.4736    0.9612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1883    2.5240    1.0767 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2992    1.5690    0.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0104    2.1134    0.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1923    1.4193    0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2705    2.0576    0.3114 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2126   -0.0369    0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8055   -0.7004   -0.3132 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  6  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   7
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB169
  Mrv2015 05262115413D          

 35 34  0  0  1  0            999 V2000
    0.0647   -2.9870   10.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7541   -2.5249    8.9539 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6370   -0.9855    8.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3266   -3.3339    7.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1398   -3.1768    6.3515 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1420   -1.8603    5.7871 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0967   -1.2651    5.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0111   -1.8470    5.0394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2527    0.0481    4.4637 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3617    0.9561    5.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3624    2.4639    4.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4340    3.4209    4.8569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3378    3.9241    3.9825 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5047    3.7423    6.0648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5468   -0.2422    3.0916 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0785    0.2700    2.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9531    1.1640    2.1025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2963   -0.2533    0.7975 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1926    0.0131   -0.5329 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7132   -0.3158   -0.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1052    1.4919   -0.9220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5908   -0.9418   -1.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5404   -3.6568    6.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8653   -4.7041    5.8465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -2.9614    7.1829 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8285   -3.3398    7.4081 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1837   -3.2310    8.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5601   -4.3562    9.7866 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7463   -4.0839   11.1199 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1439   -5.5704    9.5141 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7052   -2.4609    6.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6481   -1.2206    6.7659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6111   -2.9518    5.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3967   -2.0999    4.9223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7335   -4.1745    5.3757 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  5 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
M  END
$$$$
COVPDB16
  Mrv2015 05262115563D          

  9  9  0  0  0  0            999 V2000
    1.6682    0.4498   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0587    0.1781   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1382   -0.0233   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7866   -1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1542   -2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9160   -3.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3206   -3.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9634   -2.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2004   -1.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
M  END
$$$$
COVPDB170
  Mrv2015 05262115443D          

 15 15  0  0  0  0            999 V2000
    1.4935   -0.0327   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0553   -0.0404    0.0413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4398    0.6300    1.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6983   -0.0899    2.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1707    0.5744    3.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3810    1.9627    3.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1482    2.7097    2.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3448    4.1156    2.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0306    4.8925    1.3668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7229    2.0185    1.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5364    2.6699   -0.1221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8474    2.6982   -1.0380 P   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4929    3.5166   -2.3467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2296    1.2229   -1.4682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9796    3.3333   -0.3551 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  7 10  4  0  0  0  0
  3 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
$$$$
COVPDB171
  Mrv2015 05282120193D          

 17 18  0  0  0  0            999 V2000
   -1.4332   -2.2063    1.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2576   -0.8898    0.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0961   -0.5285   -0.2457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -0.1138    0.9864 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1303    1.1248    0.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5570    1.7626   -0.4698 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2203    3.0031   -0.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8947    3.5282   -1.8217 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8756    3.6679   -0.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5921    2.9878    0.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2010    1.7487    1.0827 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6686    3.5977    1.2447 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0724    4.8412    0.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3487    5.5401   -0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7090    6.8428   -0.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0303    7.4887   -1.3386 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2785    4.9167   -0.6837 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  2  0  0  0  0
  9 17  1  0  0  0  0
M  END
$$$$
COVPDB172
  Mrv2015 05262115593D          

  9  9  0  0  0  0            999 V2000
    1.6781    0.0043    0.0706 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0460   -0.0034    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1659   -0.0080   -0.0259 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8907   -0.0574   -1.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3334   -0.0317   -0.9188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1406    1.1000   -0.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4281    0.6598   -0.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3714   -0.7264   -0.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0986   -1.1354   -0.7267 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  5  9  4  0  0  0  0
M  END
$$$$
COVPDB173
  Mrv2015 05262115463D          

 46 47  0  0  1  0            999 V2000
   -6.4320   -9.6632   -4.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8861  -10.1644   -5.0069 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.0760  -10.4908   -6.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9746   -9.1576   -4.4921 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.6707   -8.7061   -3.1633 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8659   -7.4911   -2.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6211   -7.5193   -1.3486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3242   -6.1946   -3.1641 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.7225   -6.1829   -3.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8875   -6.7001   -2.9767 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2433   -6.7689   -3.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1947   -7.5121   -2.9653 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4190   -7.8872   -3.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2185   -8.5921   -2.5945 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8337   -7.6097   -4.5606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3642   -5.7473   -4.1205 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5242   -4.6700   -4.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9736   -4.4759   -5.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1473   -3.7712   -3.1520 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4152   -3.7203   -1.7391 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.8500   -2.3832   -1.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8426   -4.8738   -0.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3975   -5.2540    0.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9014   -6.3668    0.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8362   -7.1192    0.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2145   -8.6361    1.3431 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2426   -6.7317   -0.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7339   -5.6154   -1.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3345   -9.7565   -4.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2831   -9.3127   -5.0652 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5495  -10.6895   -3.4036 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7413  -10.8094   -2.5652 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.5668  -12.2337   -2.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8028  -12.0727   -1.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6533  -13.3630   -1.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6238  -13.1872   -0.4223 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5883  -14.0289   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2869  -13.7413    0.9859 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8762  -15.0833   -0.7491 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1741  -10.3784   -1.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6721   -9.3869   -0.6285 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1035  -11.0418   -0.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5046  -12.1885   -0.9739 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4640  -12.6396   -0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1310  -11.8630    0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2511  -10.5165    0.8743 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  1  0  0  0  0
 25 27  4  0  0  0  0
 27 28  4  0  0  0  0
 22 28  4  0  0  0  0
  4 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 32 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 42 46  4  0  0  0  0
M  END
$$$$
COVPDB174
  Mrv2015 05262115483D          

 32 33  0  0  0  0            999 V2000
   -3.5056    3.1742   -4.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5415    3.8126   -5.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8921    3.6652   -4.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1762    2.8728   -3.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1224    2.2381   -2.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7758    2.3750   -3.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8198    1.7607   -2.5443 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6203    1.7940   -2.8139 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5789    1.2444   -2.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6797    1.4640   -2.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8472    0.9347   -2.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8007    0.1799   -1.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5329   -0.0536   -0.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6418    0.4746   -1.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3955   -1.0059    1.0664 S   0  0  1  0  0  0  0  0  0  0  0  0
    0.7438   -2.5462    0.7884 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951   -0.4518    2.1916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1877   -0.9330    1.7089 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9242   -0.3749   -0.4620 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2203    0.0541   -0.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583    1.1407   -1.0355 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2662   -0.7758    0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4697   -2.2895   -0.7566 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.8474    2.6628   -2.9825 S   0  0  1  0  0  0  0  0  0  0  0  0
   -8.4443    4.0619   -2.4739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7772    2.1033   -4.1637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9387    1.5512   -1.6856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9233    4.2907   -5.3496 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0362    4.5984   -6.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1678    4.2725   -7.5203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2418    5.3063   -7.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2672    6.9654   -6.5651 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  4 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
  3 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
$$$$
COVPDB175
  Mrv2015 05262115583D          

 13 13  0  0  0  0            999 V2000
   -1.2147   -1.6863   -0.4830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1272   -0.8884   -0.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8409   -1.3227   -1.2585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1001    0.3898    0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0818    0.7490    0.6962 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0320    1.3325   -0.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2227    0.9035    0.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3138    0.2616   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4404   -0.1353    0.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4993    0.1206    2.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6022   -0.2260    2.8142 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172    0.7470    2.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2831    1.1319    2.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
  7 13  4  0  0  0  0
M  END
$$$$
COVPDB176
  Mrv2015 05262115593D          

 24 26  0  0  1  0            999 V2000
   -6.9704    0.5032   -2.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5416   -0.0089   -2.5872 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5515    1.1979   -2.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9645   -1.1460   -1.2564 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6715   -2.6236   -2.2773 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2584   -3.1843   -2.6370 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1872   -2.7077   -1.8247 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8680   -2.9626   -2.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5058   -3.7274   -2.9756 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1809   -2.3149   -1.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4006   -1.5268   -0.1763 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1495   -0.2930    0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6819    0.8370   -0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1876    2.1228    0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1474    2.2858    0.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9884    1.1636    0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4907   -0.1237    0.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4256   -2.4357   -3.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6766   -2.2245   -4.8652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6067   -1.9505   -3.5126 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4334   -0.8642   -3.9149 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6825   -1.4006   -4.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9937   -1.1377   -5.8061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4651   -2.1374   -3.8704 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
  6 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  5 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
$$$$
COVPDB177
  Mrv2015 05262115463D          

 28 30  0  0  1  0            999 V2000
    4.9699   -0.2425    3.6996 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1176   -1.2399    3.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2876   -1.3280    4.6686 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1723   -2.1075    2.6923 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2312   -3.1442    2.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8557   -3.1782    0.8923 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0832   -2.0108    0.5410 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5361   -0.7465    0.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7727   -0.5411    0.2193 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6201    0.3158    0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2199    0.0976    0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6762    1.1617   -0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1678    2.4523   -0.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1731    2.6484   -0.4047 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0630    1.6416   -0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1198   -4.4440    0.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7052   -4.5101    0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0416   -5.7402    0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7814   -6.9275    0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1867   -6.8699    0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8476   -5.6398    0.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0452   -8.3196    0.1917 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2328   -9.1016   -1.0902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6838  -10.3370   -0.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2515  -10.0433    0.8842 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3069  -11.2741    1.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9021  -10.9039    3.0598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4298   -9.0262    1.4572 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
  6 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 22 28  1  0  0  0  0
M  END
$$$$
COVPDB178
  Mrv2015 05262115593D          

 47 52  0  0  0  0            999 V2000
    1.6711   -0.4125    0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2396   -0.4273    0.4451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2187    0.3559    1.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6137   -0.2387    2.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0734    0.5577    3.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4366   -0.0061    4.9457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3173   -0.2568    5.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1849    1.9513    3.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8200    2.5655    2.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3353    1.7514    1.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8892    3.9336    2.1837 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0803    4.7386    3.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0908    6.1825    2.7928 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6376    7.0873    3.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6087    8.4168    3.3258 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101    8.9082    2.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1463   10.2450    2.0394 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8633   10.8027    1.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7930   11.8134    1.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6831   12.2842    0.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6434   11.7584   -0.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6417   10.8225   -1.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7598   10.3488   -0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6143   12.0869   -1.8680 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5770   11.0681   -2.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1110   11.2226   -3.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5214   12.6353   -3.9186 N   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2219   12.8174   -5.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3682   13.5661   -3.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7956   13.4555   -2.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8097    8.0317    1.5227 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8369    6.6852    1.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5696    5.8636    0.8564 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2109    6.5124   -0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7955    5.7339   -1.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1391    5.9352   -1.8161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6681    5.2580   -2.9269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8847    4.3407   -3.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4901    3.7206   -4.7084 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216    2.4317   -5.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5630    1.6484   -4.5107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0058    1.9179   -6.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7810    2.6263   -7.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5389    4.1406   -3.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966    4.8386   -2.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6472    4.5071    1.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4325    3.7647    0.5248 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  3 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 24 30  1  0  0  0  0
 16 31  4  0  0  0  0
 31 32  4  0  0  0  0
 13 32  4  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  2  0  0  0  0
 38 44  4  0  0  0  0
 44 45  4  0  0  0  0
 35 45  4  0  0  0  0
 33 46  1  0  0  0  0
 11 46  1  0  0  0  0
 46 47  2  0  0  0  0
M  END
$$$$
COVPDB179
  Mrv2015 05262115593D          

 27 30  0  0  0  0            999 V2000
    4.4042    1.2707   -2.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5550    0.8872   -1.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2041    0.6304   -2.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6733    0.8120   -3.2261 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4976    0.1721   -1.0241 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1482    0.0082   -0.8523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8449    0.6086   -1.6687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655   -0.7680    0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6327   -0.9489    0.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5870   -0.3364   -0.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2058    0.4283   -1.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9259   -0.3595   -0.2025 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3604    0.3661   -1.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3289    0.8548   -1.9747 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4393    1.5910   -3.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7476    2.8032   -3.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8906    3.4523   -4.5090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6732    2.9781   -5.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3802    1.7740   -5.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2384    1.1446   -4.1256 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1741    1.3219   -6.3315 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9610    0.2092   -6.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1076    0.2876   -7.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0103   -0.7877   -7.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7634   -1.9686   -6.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6068   -2.0760   -5.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7082   -0.9967   -5.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 11 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
M  END
$$$$
COVPDB17
  Mrv2015 05262116123D          

 31 32  0  0  1  0            999 V2000
    2.0770   -0.9086   -1.1012 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9372   -0.5386    0.3190 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9729   -1.9037    1.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9494   -1.8362    2.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8549   -2.3637    3.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8507   -2.3418    4.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9498   -1.8110    5.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448   -1.2832    4.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0412   -1.2881    3.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7150    0.3020    0.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -0.1219    1.2923 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4943    1.5218   -0.1197 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5091    2.2929   -0.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7571    3.0416   -1.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6733    3.1961   -1.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7542    2.2564   -0.1080 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0413    1.5033   -0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9716    1.9449    0.6167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2094    0.3919   -0.8712 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4066   -0.3863   -1.0468 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0898   -0.9166    0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1817   -1.8467    1.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9349   -2.5828    2.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0520   -3.4959    2.9056 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0059   -3.7588    4.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2067   -4.7126    4.6331 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7084   -3.1391    5.0800 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3841    0.2942   -1.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5139    1.5415   -1.9088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2565   -0.4595   -2.8715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9314   -0.3587   -2.3424 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 20 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$
COVPDB180
  Mrv2015 05262115593D          

 42 45  0  0  1  0            999 V2000
    0.4197   -3.5841    2.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9321   -3.8544    2.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4242   -3.3633    4.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5427   -3.9182    5.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0343   -3.6334    5.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4629   -4.1826    3.9126 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9894   -3.8928    3.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7074   -4.6894    2.5775 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7780   -6.1569    2.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1054   -6.9290    2.1064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5313   -6.7760    3.9440 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7535   -7.1844    5.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0476   -6.6995    3.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3640   -7.8580    3.4887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9893   -4.2145    2.1461 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7877   -3.2074    2.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6106   -2.6700    3.7502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8741   -2.6880    1.7594 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.1360   -3.5974    1.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2189   -3.0529    0.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5488   -3.6797   -0.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4910   -3.0980   -1.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1397   -1.8982   -0.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8659   -1.3026    0.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9053   -1.8681    1.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9844   -1.2850   -1.6911 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3649   -1.6366   -1.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3134   -2.6266    0.4391 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3825   -1.6253   -0.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1643   -0.6570   -0.3229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4332   -1.6540   -1.6162 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4310   -2.9986   -2.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1260   -1.3844   -1.0804 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6735   -0.1391   -0.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3541    0.8833   -1.0058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3940    0.0385   -0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759   -0.0599   -0.8895 N   0  0  2  0  0  0  0  0  0  0  0  0
    1.0828   -0.0682   -0.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3354   -0.1896   -0.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3399    0.8231   -2.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1659    0.7995   -2.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1181    0.9639   -1.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 14  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 18 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 37 42  1  0  0  0  0
M  END
$$$$
COVPDB181
  Mrv2015 05262116103D          

 52 55  0  0  1  0            999 V2000
    5.0640   -6.4605    2.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3713   -6.7578    3.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1592   -7.6663    2.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -8.2784    1.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3293   -7.9820    1.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5283   -7.0549    1.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1520   -6.7068    1.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0255   -5.2208    0.8554 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6514   -5.0162   -0.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6472   -4.2571   -0.5587 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586   -5.6389   -1.5948 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7146   -5.5591   -2.9197 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7455   -6.9532   -3.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5568   -8.1007   -2.9352 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3152   -9.4465   -3.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604   -7.6820   -2.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7431   -3.7235   -2.8333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990   -3.1725   -4.1294 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -4.7389    0.8199 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8841   -4.5060    1.9125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2920   -4.7796    3.0674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4420   -3.8536    1.7749 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3053   -4.4666    0.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7377   -3.8624    0.4665 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6828   -4.2235    1.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1700   -2.4648    1.5393 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5335   -1.4125    2.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4928    0.2388    0.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6120    0.2704   -0.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3330    2.0739   -1.9456 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7076    2.5717   -3.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5877    1.7599   -4.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1004    0.4466   -4.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2633   -0.0554   -2.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8396    0.3478    3.0905 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1692    1.6182    3.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6688    2.6201    2.9013 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303    1.8463    4.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5234    2.6284    5.6890 N   0  0  2  0  0  0  0  0  0  0  0  0
    2.5521    3.2377    6.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8891    4.0623    7.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8921    3.2939    8.4191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1385    2.7667    7.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4742    1.8768    6.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 37 42  4  0  0  0  0
 34 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 47 52  1  0  0  0  0
M  END
$$$$
COVPDB182
  Mrv2015 05262115573D          

 12 12  0  0  1  0            999 V2000
   -3.5831   -2.8842    0.6416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2230   -1.6520    0.0207 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7019   -1.3728    0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2872    0.0276   -0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2118    1.0112   -0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5754    0.7891    0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3827    1.6810   -0.3394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0735   -0.4859    0.5831 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4524   -0.7101    0.2915 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0789    0.3314   -0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5395    1.5950   -0.2694 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9623   -0.5511    0.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
$$$$
COVPDB183
  Mrv2015 05262116003D          

 45 46  0  0  1  0            999 V2000
   -0.7154    1.6842   -0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2288    2.7255   -0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5984    2.4265   -0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    1.0862   -0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0769    0.0441   -0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3043    0.3316   -0.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2930   -0.7678   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2505   -1.5909   -1.1790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9351   -2.7593   -1.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7049   -3.1601   -0.4316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262   -3.5072   -2.4578 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2134   -4.8603   -2.6015 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0709   -5.4031   -4.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8465   -4.5836   -5.2707 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6361   -5.1860   -6.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3659   -4.4302   -4.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4971   -5.7731   -1.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0284   -6.8242   -1.0595 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1228   -5.4077    0.4010 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2410   -6.6104    1.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0164   -6.3812    2.8693 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3540   -7.6508    3.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3471   -4.9404   -1.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6881   -2.3915    0.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2934   -1.6080   -0.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1211   -0.5174   -0.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3812   -0.1836    0.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2697    0.9435    1.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7945   -0.9672    1.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9560   -2.0671    1.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4018   -2.8652    2.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  1  0  0  0  0
 41 43  4  0  0  0  0
 43 44  4  0  0  0  0
 38 44  4  0  0  0  0
 44 45  1  0  0  0  0
M  END
$$$$
COVPDB184
  Mrv2015 05262115463D          

 41 43  0  0  1  0            999 V2000
    5.8196   -7.0280   -1.6949 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1858   -6.7441   -0.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7189   -6.8002    0.5823 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7569   -6.4109    1.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4966   -6.0764    0.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9071   -6.3390   -0.5999 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0778   -6.1831   -1.6629 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8895   -5.0792   -2.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6182   -4.0711   -2.4012 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8896   -5.1413   -3.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1098   -6.1243   -3.5187 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6813   -4.1157   -4.6041 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.8842   -4.8750   -7.8564 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9619   -6.0038   -8.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2293   -1.5880   -3.9880 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1490   -0.4751   -3.8425 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3966    0.2940   -5.2101 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1891    1.2056   -5.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6828    1.1850   -5.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6091   -0.7408   -6.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8820    0.4399   -2.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3622   -0.2593   -1.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9582   -1.2543   -0.7386 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1566   -1.6247    0.2087 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0430   -0.8686    0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682    0.0126   -0.8474 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059   -0.9786    1.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7139   -2.1152    1.8192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4474   -2.2522    2.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4506   -1.2534    2.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6956   -1.3899    3.4222 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8107   -1.1543    2.6540 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6760   -0.4843    4.4540 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8719   -2.6351    3.9802 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2373   -0.0992    1.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0829    0.0326    1.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 27 31  4  0  0  0  0
 30 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 35 40  4  0  0  0  0
 40 41  4  0  0  0  0
 32 41  4  0  0  0  0
M  END
$$$$
COVPDB185
  Mrv2015 05262115593D          

 34 35  0  0  1  0            999 V2000
    3.5329    3.7257    0.6216 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7739    3.9073   -0.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8335    3.0521   -1.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8457    3.1989   -2.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7964    4.2358   -2.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7552    5.0755   -1.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7430    4.9144   -0.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9312    2.3361   -3.8431 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3749    2.9581   -5.0719 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8938    3.9195   -5.0018 S   0  0  1  0  0  0  0  0  0  0  0  0
    2.7434    3.2042   -4.1477 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2242    5.3528   -4.3649 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3068    4.1532   -6.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4932    0.9150   -3.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3656    0.0115   -3.7369 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1733    0.5723   -3.6730 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6514   -0.7622   -3.7479 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9040   -1.5995   -2.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5493   -3.0364   -2.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -3.5581   -2.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9761   -4.9017   -2.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8488   -5.7460   -3.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0739   -5.2471   -3.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4200   -3.9014   -3.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2040   -0.6974   -4.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -1.2341   -5.1314 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314   -0.0884   -3.2164 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0838    0.0038   -3.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7922    0.0184   -2.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5838   -0.9179   -1.3051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6774    1.0184   -1.8387 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4503    1.1652   -0.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2349    2.4008   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552    3.4385    0.3484 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 17 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  3  0  0  0  0
M  END
$$$$
COVPDB186
  Mrv2015 05262115593D          

 26 26  0  0  1  0            999 V2000
    1.2521    0.0958   -0.1003 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1140    0.0418    0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2399   -0.0290    0.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8255    1.2404   -0.0630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1481    1.5336    0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9729    0.6826    0.4641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6179    2.8901   -0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8468    3.6171    0.9187 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1846    4.9359    0.9916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3211    5.6236   -0.0486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3876    5.5732    2.3181 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0692    5.6234    3.1555 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9430    6.4660    2.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3214    6.1824    4.4447 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3910    4.8018    2.9922 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4456    5.2546    3.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6248    6.4763    3.9446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4031    4.2678    4.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6907    3.2053    5.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3921    1.9584    4.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6071    1.0051    5.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2097   -0.4565    4.3652 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.1402    1.2778    6.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4639    2.4958    7.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9126    2.8167    8.6116 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.2377    3.4520    6.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 21 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  1  0  0  0  0
 24 26  4  0  0  0  0
 19 26  4  0  0  0  0
M  END
$$$$
COVPDB187
  Mrv2015 05262115593D          

 32 33  0  0  1  0            999 V2000
    6.4823    2.5054    5.8090 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8979    2.9615    5.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8040    2.1728    5.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4707    2.5340    5.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2702    3.7384    4.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3609    4.5257    4.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1131    5.9373    3.4559 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6735    4.1354    4.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3473    1.6452    5.9540 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1211    1.9078    7.4246 N   0  0  1  0  0  0  0  0  0  0  0  0
    0.4350    3.1788    7.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6867    0.7336    8.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1061    1.6151    5.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0094    1.7633    5.6618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0168    1.3958    3.7745 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9637    1.2370    2.7383 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9822    0.0421    2.8770 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3339   -1.3284    3.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9465   -0.1095    1.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8119    1.1405    1.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1855    1.1910    1.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3756    2.0679    0.5956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7304    0.2071    1.2763 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4914    0.0090    0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2444   -1.2580    0.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6451   -1.3280    0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2682   -2.5805    0.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5240   -3.6778    0.4687 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1783   -3.5971    0.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5588   -2.3991    0.4867 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4879   -4.6486    0.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8714   -5.5774    1.2015 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  2  8  4  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 29 31  1  0  0  0  0
 31 32  3  0  0  0  0
M  END
$$$$
COVPDB188
  Mrv2015 05262116003D          

 17 18  0  0  1  0            999 V2000
   -2.8685    2.7751    3.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0178    1.6059    2.5907 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3332    0.8436    3.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    2.0266    1.5087 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8783    0.8635    0.6776 N   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9670    0.1089    0.1674 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9070   -1.0296   -0.0396 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0214   -2.3119    0.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1348   -3.1207    0.6278 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -0.0450    0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2926   -0.0899    0.6673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0466    0.4154    1.6175 S   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3909    1.1217    1.1021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3940   -0.9209    2.4264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2724    3.2235    0.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4720    4.3131    0.7253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2885    3.2737   -0.0377 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 12  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
$$$$
COVPDB189
  Mrv2015 05262115563D          

 18 19  0  0  0  0            999 V2000
    7.5532    2.9706    4.5745 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6270    1.9234    5.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8330    0.7463    4.6685 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5255    2.1998    6.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4304    3.0197    5.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3136    4.1771    5.8884 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5345    2.5931    4.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5741    1.2911    3.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    3.4865    3.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6961    3.1237    2.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    1.8462    2.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7251    0.9109    2.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9624    1.4879    1.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0573    0.2057    0.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9579   -0.7342    1.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7933   -0.3816    2.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2653   -0.1342   -0.5061 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8744    0.1800   -1.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 12 16  4  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$
COVPDB18
  Mrv2015 05262115413D          

 26 25  0  0  1  0            999 V2000
   -7.7562   -1.6825    1.0237 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1482   -1.2372    2.3682 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.5139   -1.8409    2.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6834   -1.3762    1.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9784   -1.9556    2.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6033   -2.8335    1.4705 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5229   -1.6357    3.3701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0384   -1.5600    3.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4237   -0.6070    3.8334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6712   -2.8521    3.5474 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5937   -3.2067    4.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4792   -4.6537    4.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5040   -5.2746    5.0665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2438   -5.2339    4.6416 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7939   -6.5155    5.1117 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6196   -7.1933    6.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9174   -8.4207    6.9074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5960   -8.8995    8.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8645   -9.9911    8.7862 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0474  -10.4969   10.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2622  -11.4698   10.4062 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9492  -10.0759   10.8061 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5052   -7.3965    3.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3086   -7.4982    3.5803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5701   -8.1379    3.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0090   -9.0347    1.8149 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 15 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$
COVPDB190
  Mrv2015 05262115433D          

  6  5  0  0  0  0            999 V2000
   -2.3478    1.6534   -0.0335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2285    1.8799    0.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8994    3.0641    0.9316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4284    0.7513    1.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0892   -0.0832    0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3176   -0.1781   -0.1193 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
M  END
$$$$
COVPDB191
  Mrv2015 05262116023D          

 36 39  0  0  1  0            999 V2000
    3.6372   -9.5954    2.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3165   -8.3460    2.1366 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7311   -7.2258    2.8332 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8211   -7.1653    4.2674 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9505   -7.3851    5.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8762   -8.0792    4.5149 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1853   -6.6799    6.2966 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3044   -5.2138    6.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3236   -4.4837    5.4688 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3441   -4.5976    6.3880 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -6.9906    7.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7194   -7.5685    8.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8727   -7.8458    9.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011   -7.5582    9.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6894   -7.8373   10.6610 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9858   -6.9834    8.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8419   -6.6966    7.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4011   -6.6485    2.2434 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3191   -6.3291    3.1283 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5077   -5.2549    2.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2515   -4.0881    2.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4562   -2.8688    1.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0150   -2.7047    0.0996 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6987   -1.0940   -0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9686   -0.7877    0.2706 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0941    0.4821    0.0607 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9669    0.9812   -0.3374 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0856    0.0374   -0.3940 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2755    0.2224   -0.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5797   -4.2186    1.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1051   -5.4409    1.9908 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2887   -5.9577    2.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4509   -5.4988    2.4258 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4166   -3.2077    1.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0200   -1.9623    0.8804 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6368   -3.3906    1.0079 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 11 17  4  0  0  0  0
  3 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 24 28  4  0  0  0  0
 28 29  1  0  0  0  0
 21 30  2  0  0  0  0
 30 31  1  0  0  0  0
 18 31  1  0  0  0  0
 31 32  1  0  0  0  0
  3 32  1  0  0  0  0
 32 33  2  0  0  0  0
 30 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
M  END
$$$$
COVPDB192
  Mrv2015 05262116013D          

 20 19  0  0  1  0            999 V2000
    7.3215    7.2109   -0.8741 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0148    6.3835   -0.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2168    4.9487   -1.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8911    4.1509   -1.5756 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1546    2.7166   -2.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    1.9241   -2.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1210    1.6345   -1.5312 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7877    1.5088   -3.7181 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8370    0.5887   -4.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6255    1.2816   -4.9604 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0634    0.4507   -6.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0521    1.0916   -6.7597 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5824    1.4443   -3.9865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2050    2.5356   -3.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1054    3.5794   -4.4458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2110    2.4444   -2.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5531    2.4572   -1.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5866    2.2345   -0.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9468    2.2902    1.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9775    2.0367    2.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$
COVPDB193
  Mrv2015 05262116003D          

  7  6  0  0  0  0            999 V2000
    0.8650   -0.0620   -0.6060 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9563    0.0617    0.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1925    0.8346    1.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0496    0.2434    2.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3496    2.2099    1.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5535    2.8788    0.2911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3236    2.8524    1.5027 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
$$$$
COVPDB194
  Mrv2015 05262115543D          

 18 19  0  0  0  0            999 V2000
    1.4904   -0.0353   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0492   -0.0401   -0.0134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4588    0.6094    1.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7286   -0.1069    2.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1972    0.5648    3.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3965    1.9598    3.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1902    2.6916    2.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7258    1.9922    1.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4267    4.0907    2.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2013    4.7792    1.0993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7864    2.5720    4.5313 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6636    3.0357    5.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1938    3.7230    6.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    3.0117    7.6988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9431    3.6837    8.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1681    5.0691    8.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9315    5.7325    7.6049 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4635    5.1115    6.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
M  END
$$$$
COVPDB195
  Mrv2015 05262115543D          

 27 28  0  0  0  0            999 V2000
    3.1735   -9.3168   -2.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7225   -9.0675   -2.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3131   -7.8089   -1.7279 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0154   -7.4469   -1.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2713   -6.1886   -1.2730 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4916   -5.2440   -1.0925 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1096   -4.0039   -0.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1041   -3.0134   -0.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7580   -1.6814   -0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5948   -1.2984   -0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5883   -2.2962   -0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2428   -3.6260   -0.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9503    0.0439    0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2406    0.4244    0.3104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0900    0.9447    0.2658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0142   -8.4210   -1.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4452   -7.9944   -1.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8978   -8.2977   -0.2809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4124   -7.9211    0.0634 P   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3970   -8.8206   -0.7911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6893   -6.3976   -0.2706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6500   -8.1578    1.4921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6317   -9.7807   -1.9680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5551  -10.8679   -2.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7390  -10.8412   -1.6646 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7504  -10.0843   -2.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1743  -11.3504   -2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  4 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 16 23  4  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 23 26  4  0  0  0  0
  2 26  4  0  0  0  0
 26 27  1  0  0  0  0
M  END
$$$$
COVPDB196
  Mrv2015 05262115543D          

 21 22  0  0  1  0            999 V2000
   -0.4700    1.3124   -0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0532    0.3208    0.4226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4756   -1.0552    0.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2052   -1.9795    1.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2999   -3.4520    1.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5234   -4.3259    2.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1279   -5.5403    2.6747 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3512   -6.3872    3.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4459   -6.1216    4.1926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323   -7.5136    4.0299 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1453   -8.4210    5.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -9.3262    5.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0814   -9.1166    4.3096 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5631   -7.9362    3.4500 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7801   -7.2511    3.8822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2487   -6.1155    3.6466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1976   -8.2858    4.6028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6141   -8.5493    5.5145 S   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3517   -9.8375    6.6055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9730   -7.2325    6.3513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8232   -8.9327    4.5375 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
$$$$
COVPDB197
  Mrv2015 05262115493D          

  6  6  0  0  0  0            999 V2000
   -1.4295    2.1484   -0.0924 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2358    1.5374   -0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0579    0.2078   -0.0423 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2703    0.0461   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8518    1.2516    0.0076 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9471    2.1721   -0.0248 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   5
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB198
  Mrv2015 05262116003D          

 14 15  0  0  1  0            999 V2000
    2.2352    0.7382   -0.6230 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6942   -0.3626   -0.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2659   -1.2227   -1.9262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6123   -0.7370   -0.1532 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3139   -1.7486    0.0803 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2416   -0.3994    0.8991 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4179   -1.9620   -0.9986 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2469   -3.2243   -0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2983   -0.6922   -1.2753 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5260   -1.0216   -1.9291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5991    0.1493   -0.0041 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3343   -0.6165    0.9520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2936    0.7046    0.6289 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7329    1.7256   -0.1973 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
$$$$
COVPDB199
  Mrv2015 05262116003D          

 24 25  0  0  0  0            999 V2000
   -0.1768   -0.3234   -2.8511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3373   -1.3446   -1.9786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0697   -2.3092   -2.2948 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3341   -1.3016   -0.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6858   -1.0953    0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002   -0.9892    1.8528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0114   -0.7294    2.8467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4665   -0.5754    4.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2572   -1.7184    4.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3689   -1.6144    6.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8087   -0.3710    6.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5262   -0.3368    7.9232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9322    0.7631    8.3676 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8507   -1.4507    8.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4767   -1.4095    9.9152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7726   -2.5283   10.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4870   -3.8122   10.3712 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9404   -4.5708   11.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5183   -3.7388   12.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4002   -2.4918   11.8636 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5086    0.7996    5.8748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583    2.3848    6.3973 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1142    0.6908    4.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4584    2.0409    3.6179 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
 11 21  4  0  0  0  0
 21 22  1  0  0  0  0
 21 23  4  0  0  0  0
  8 23  4  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  20
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB19
  Mrv2015 05262115403D          

 44 46  0  0  1  0            999 V2000
   -1.0999    7.7262   -7.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6527    6.2929   -6.9663 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1585    6.3963   -6.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8075    5.4877   -5.9091 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5804    5.4395   -6.2697 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6334    5.2796   -5.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4612    5.2324   -4.1770 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9987    5.0976   -5.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5504    6.3356   -6.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8979    6.0695   -7.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9955    5.0530   -8.2154 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8634    6.7769   -6.8333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3728    4.1122   -5.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1051    3.9506   -4.7195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2553    3.0689   -6.6307 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2363    2.9628   -7.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3826    1.5613   -8.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8600    1.2338   -8.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2362    2.0195   -6.7306 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3803    1.1313   -5.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5436    0.7980   -5.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2951    0.6642   -4.8638 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2914   -0.2886   -3.7815 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8364   -1.6905   -4.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1040   -2.3025   -5.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8762   -3.4941   -6.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1467   -4.0989   -7.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9246   -5.1945   -7.8802 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0421    0.3245   -2.3440 P   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6583   -0.5149   -1.2000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6315    0.2490   -2.5611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4605    0.8746   -1.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2887    1.9046   -2.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1694    2.5902   -1.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2407    2.2424    0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4466    1.1937    0.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5710    0.5022   -0.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5040    1.8248   -2.1501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9166    2.5214   -1.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5472    2.1795    0.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0018    2.9450    1.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8011    4.0798    1.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1437    4.4502   -0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6987    3.6769   -1.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 32 37  4  0  0  0  0
 29 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 39 44  4  0  0  0  0
M  END
$$$$
COVPDB1
  Mrv2015 05262115403D          

 38 41  0  0  1  0            999 V2000
   -1.1242   -1.2063    6.4934 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8967   -0.4089    5.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6578   -1.3210    4.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5177   -0.4997    3.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4013   -1.3661    2.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4383   -0.5110    1.7910 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5321   -1.1607    1.1322 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7655   -2.4783    0.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9296   -3.3714    1.1428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0569   -2.9112    0.2679 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.0854   -1.8159   -0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8830   -1.5859    1.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4199   -2.6597    2.1128 N   0  0  1  0  0  0  0  0  0  0  0  0
  -10.3913   -3.1392    3.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1608   -4.6130    3.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8476   -5.6084    2.3697 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.2856   -6.8390    3.0552 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1734   -6.1320    1.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0685   -5.1195    1.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7387   -4.5517   -0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5441   -3.5541   -0.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7190   -3.1372   -0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1001   -3.7356    1.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2797   -4.7151    1.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9365   -5.0146    1.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3418   -5.7646    0.4498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8168   -3.6095    1.2552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7974    0.4541    0.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8229    1.6675    1.1747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1519    0.1116   -0.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4948    1.0034   -0.9538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2536   -1.1324   -0.9115 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6631   -1.5592   -2.1476 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7926   -1.8294   -3.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2205   -2.3282   -4.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2979   -3.5646   -4.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1997   -3.3376   -3.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8003   -2.8355   -1.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 16 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 10 27  1  0  0  0  0
 13 27  1  0  0  0  0
  6 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 33 38  1  0  0  0  0
M  END
$$$$
COVPDB200
  Mrv2015 05262116003D          

 23 24  0  0  0  0            999 V2000
   -0.1670   -0.3100   -2.8531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3321   -1.3403   -1.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0722   -2.2959   -2.3192 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3331   -1.3278   -0.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6913   -1.2236    0.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0082   -1.1624    1.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0281   -1.0019    2.8702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4873   -0.7844    4.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1727   -1.8809    4.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4579   -1.6781    6.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7868   -0.3772    6.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3913    0.7152    5.8152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2294    0.5223    4.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6440    1.8726    3.6261 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4940   -0.2184    7.8845 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7401   -1.2540    8.5536 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9505    1.0005    8.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5816    1.1581    9.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9953    2.3802   10.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8309    3.5891    9.5045 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3620    4.4996   10.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8642    3.8416   11.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6259    2.5402   11.2611 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 19 23  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  23
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB201
  Mrv2015 05262116003D          

 24 27  0  0  1  0            999 V2000
   -2.7051   -1.7161    0.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3954   -1.1875    0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0239    0.1140    0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2574    0.4319   -0.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8221    1.6482   -0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9714    1.1372    0.8148 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5716    1.5241    2.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4841    0.7324    0.6119 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7719   -0.7033    1.1726 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3042   -1.1517    1.0369 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6459   -1.4636   -0.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4884    1.7997    1.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9789    1.3758    1.0462 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4066    1.4417   -0.3109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2349   -0.0291    1.6971 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7860    0.1091    3.0592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7757   -0.3854    1.8694 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.5941    0.5497    2.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0928   -1.9116    2.0828 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9818   -2.9901    1.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5253   -2.4674    1.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9253   -1.8465    0.9116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6001   -0.5672    0.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9537    0.2092   -0.2404 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 10 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
$$$$
COVPDB202
  Mrv2015 05262115593D          

 19 20  0  0  1  0            999 V2000
   -5.8512    3.8202    2.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6170    3.5227    2.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2066    4.3540    3.7561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8623    2.2757    2.6484 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6432    2.4681    1.6777 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1600    1.5220    0.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9339    0.9587    1.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1903    0.1121    0.0932 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4262    1.3756   -0.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5135    0.7282   -1.1160 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5392    1.6692   -1.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5371    0.9318   -2.3860 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8187    1.1840    2.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9112    1.8535    2.7024 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8594    1.8358    3.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9348    1.3826    4.7947 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1587    0.7745    3.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2455    0.0603    2.9359 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0603    1.0514    4.5286 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
$$$$
COVPDB203
  Mrv2015 05262116003D          

 31 32  0  0  0  0            999 V2000
    1.4330    0.0618   -0.0191 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2974    0.1244   -0.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0527    0.1875   -0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6684   -0.8360    0.4134 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9959   -1.1332    0.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7931   -0.5189   -0.3476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5147   -2.1943    1.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9763   -3.3038    0.5084 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9626   -4.6138    0.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5031   -4.9125    2.0331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4855   -5.6426    0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5234   -5.4908   -1.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0709   -6.4933   -2.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6176   -7.6618   -1.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1511   -8.5696   -2.4598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5289   -8.3113   -2.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5707   -7.8844   -0.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9829   -6.8507    0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0808   -9.1025    0.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5513   -9.9714   -0.3368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0860   -9.4718    1.9132 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5819  -10.9499    2.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1550   -8.5590    2.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6756   -9.4289    2.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6222  -10.1022    1.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3150  -10.1550    2.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1022  -11.0037    1.4990 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0195   -9.5074    3.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0259   -8.8019    4.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6525   -8.0040    5.6590 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3367   -8.7674    3.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  4  0  0  0  0
 17 18  4  0  0  0  0
 11 18  4  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  1  0  0  0  0
 26 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  1  0  0  0  0
 29 31  4  0  0  0  0
 24 31  4  0  0  0  0
M  END
$$$$
COVPDB204
  Mrv2015 05262116003D          

 34 34  0  0  1  0            999 V2000
   -0.3065  -12.5347    9.5638 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1358  -11.0482    8.7714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5615  -10.9161    7.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4204   -9.6935    6.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1492   -8.5908    7.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5747   -8.6848    8.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2296   -7.2351    9.4575 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4269   -9.9445    9.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9029   -9.5607    5.3373 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3864   -9.6245    5.4090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1338   -9.0298    4.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4634   -9.7771    4.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2901  -10.5497    4.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9548  -10.5458    4.2921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0883  -11.3835    3.6683 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8733  -12.2443    2.5342 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2870  -12.0492    1.4618 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0926  -12.8592    0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6951  -12.5661    1.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4060  -10.5440    1.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1175  -13.6568    2.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1772  -14.2034    2.5467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2293  -14.3493    3.7200 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3691  -15.7203    4.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8114  -16.5397    3.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2231  -16.5409    2.5950 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3991  -17.3170    4.7341 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4908  -18.2182    4.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1796  -18.4462    5.7782 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3003  -19.6389    6.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1096  -19.7992    7.9184 S   0  0  1  0  0  0  0  0  0  0  0  0
    3.6318  -18.6375    8.9196 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7575  -21.2115    8.5965 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9274  -19.6876    7.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  2  8  4  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  2  0  0  0  0
 31 34  1  0  0  0  0
M  END
$$$$
COVPDB205
  Mrv2015 05262116003D          

 23 25  0  0  1  0            999 V2000
   -4.3169    0.0895   -0.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2646   -0.7029    0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5974   -1.9174    0.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8899   -2.6692    0.8997 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2382   -3.3002   -0.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5170   -4.0339   -0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5538   -5.3586   -0.7332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5944   -3.4454   -0.2221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8085   -3.7351    1.8829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3282   -3.7868    2.2615 B   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6664   -4.8436    3.1501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6266   -2.5950    1.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2903   -2.1970    1.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9144   -1.0441    0.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4139   -0.6997    0.9008 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1301   -1.3267   -0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8016   -2.5438    0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5343   -3.1014   -0.8429 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6515   -2.5282   -2.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828   -1.3162   -2.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -0.7596   -1.3166 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8989   -0.2583    0.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4950    1.0183   -0.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  3 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 14 22  4  0  0  0  0
  2 22  4  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$
COVPDB206
  Mrv2015 05262116003D          

 23 25  0  0  1  0            999 V2000
   -0.9727   -1.1749    4.8281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0033   -0.7807    3.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3271   -0.4008    4.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0492   -0.4695    5.4070 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2860   -1.9406    5.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9901   -2.0294    7.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1995   -2.6297    7.2422 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4856   -1.5576    8.2024 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3394    0.1868    5.2957 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4997    0.4629    3.7996 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.7660    0.9729    3.1079 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1683    0.0912    3.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7899    0.1931    1.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4951   -0.2263    1.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1492   -0.1067    0.0812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4013    1.1193   -0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2624    2.2685   -0.3881 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5360    3.3462   -0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0199    4.5623   -0.8257 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8705    3.1509   -0.5558 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1070    1.4953   -0.2453 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3905   -0.7712    2.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7027   -1.3413    1.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  3 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  1  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 14 22  4  0  0  0  0
  2 22  4  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$
COVPDB207
  Mrv2015 05262116003D          

 13 13  0  0  0  0            999 V2000
    2.1376   -2.9548    0.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7796   -2.1615   -1.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5100   -0.7199   -1.1041 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3849   -0.0348    0.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0913    0.2252    0.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724   -0.0325   -2.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133    1.3886   -2.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9053    2.0658   -3.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6452    1.3536   -4.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2953    2.0453   -5.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0392    1.4547   -7.0595 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7404   -0.0514   -4.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0510   -0.7170   -3.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  4  0  0  0  0
 12 13  4  0  0  0  0
  6 13  4  0  0  0  0
M  END
$$$$
COVPDB208
  Mrv2015 05262116003D          

 23 24  0  0  0  0            999 V2000
   -0.2504   -6.2633    6.2292 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9891   -5.3837    5.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9817   -5.8638    4.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7363   -4.9674    3.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5232   -3.5672    3.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5338   -3.1013    4.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7727   -3.9951    5.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1389   -3.5239    6.4370 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2603   -2.6738    3.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8543   -3.1313    2.1018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3113   -1.3258    3.3530 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9401   -0.2949    2.5528 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3110   -0.3247    1.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9870   -0.5412    0.1553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9693   -0.1326    1.0884 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2348   -0.0863   -0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0850    0.0718    0.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1934    0.2093    0.4377 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6274    1.0682    3.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2943    2.2845    2.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8344    2.1215    2.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2645    0.7593    1.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5048   -0.4545    2.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
$$$$
COVPDB209
  Mrv2015 05262116003D          

 23 24  0  0  0  0            999 V2000
   -3.9182    6.0531   -2.1595 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8956    5.6574   -2.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1535    6.6810   -3.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    6.3690   -4.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1999    7.6047   -5.1875 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7977    5.0249   -4.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5224    4.0005   -4.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5657    4.2877   -3.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150    3.2159   -2.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6968    3.4191   -1.3546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2937    1.9552   -3.0301 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9030    0.7817   -2.4464 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2581    0.5290   -1.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9326    0.5442   -0.0565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9137    0.3122   -1.0571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1840    0.0052    0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1455   -0.0618   -0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2618   -0.1225   -0.4356 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6189   -0.4137   -3.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3128   -1.7312   -2.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8498   -1.5432   -2.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2520   -0.3204   -2.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4643    0.9743   -2.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
$$$$
COVPDB20
  Mrv2015 05262115413D          

 30 31  0  0  1  0            999 V2000
    1.8692    2.8952    0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472    3.0352    1.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7584    2.1862    2.5890 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3464    2.4549    2.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2932    2.2629    1.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4180    2.9805    0.2006 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2760    3.6060   -0.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5226    3.7491   -0.7598 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3481    4.0222   -1.9706 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2999    4.5391   -3.1463 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7015    5.4472   -3.9264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3728    6.5995   -3.1000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3565    7.5311   -2.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3213    7.4376   -4.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8809    3.4528   -3.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4262    3.7781   -5.0675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8618    2.1544   -3.5608 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5032    0.9858   -4.0922 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4786    0.1131   -4.7249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0961   -0.9065   -4.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0991    0.4066   -6.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1705   -0.4022   -6.3523 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7939    1.2114   -4.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6045   -0.0890   -5.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9372    0.1388   -5.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2627   -0.4373   -7.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5568   -0.3020   -7.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5367    0.4328   -6.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2209    1.0403   -5.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9333    0.8923   -5.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
M  END
$$$$
COVPDB210
  Mrv2015 05262116003D          

 41 43  0  0  1  0            999 V2000
   -4.5226    4.3226    3.4308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6085    4.9171    3.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4287    5.2764    4.1972 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4247    5.8658    3.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2751    5.9061    2.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1266    5.2995    2.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5518    5.0710    0.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6490    3.5774    0.2627 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0580    3.0981    0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4572    2.1997    0.9115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1437    3.6887   -0.9750 P   0  0  1  0  0  0  0  0  0  0  0  0
   -8.4784    5.1013   -0.7295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5352    3.6086   -2.4623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4975    2.3020   -3.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8781    2.4325   -4.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4964    2.8228   -0.9959 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4639    3.0909    0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6624    2.1508   -0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9304    3.3635   -0.9560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2247    2.2760   -1.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7073    2.4890   -2.5262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9397    0.9257   -0.8156 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8739    0.3163    0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4567   -1.2045    0.7716 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6063   -2.3700   -0.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0457   -3.7272    0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7209   -4.1779    1.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6721   -3.0687    2.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2135   -1.7134    2.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5858    0.9585   -0.3352 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5839    0.1142   -0.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7745   -0.8046   -1.5364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3533    0.2701   -0.1327 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7685   -0.6012   -0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9620   -0.1740    0.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2168    0.0129   -0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3549    0.3655    0.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2550    0.5463    1.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0129    0.3811    2.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931    0.6127    4.2537 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8734    0.0251    1.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
 22 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  1  0  0  0  0
 39 41  4  0  0  0  0
 35 41  4  0  0  0  0
M  END
$$$$
COVPDB211
  Mrv2015 05262116003D          

 35 38  0  0  0  0            999 V2000
    1.4039   -0.1073   -0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276    0.0279    0.0096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4417    0.6868    1.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7127   -0.0628    2.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1371    0.5666    3.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3766   -0.2023    4.5961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6949   -0.7809    4.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2817    1.9727    3.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7148    2.6961    4.9927 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0652    2.7447    2.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6395    2.0871    1.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3820    2.9330   -0.3022 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005    4.1481    2.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6240    4.6360    2.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2354    5.0695    2.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897    6.4530    2.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8137    6.9356    2.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8853    6.0184    2.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0839    8.2632    2.0428 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3556    8.7492    2.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3815    7.8768    2.1972 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1905    6.5444    2.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7181   10.0542    1.8635 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0892   11.1553    1.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6150   12.4319    1.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7225   12.5752    2.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0784   13.6097    1.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0390   13.5489    0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5192   12.3061   -0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0179   11.1061    0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5118    9.9221   -0.0763 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1957    9.5895   -0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7166   10.3916    0.0553 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1909    8.3567   -0.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6368    7.4042   -1.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
  3 11  4  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  4  0  0  0  0
 13 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 14 18  4  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 18 22  4  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  1  0  0  0  0
 25 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 24 30  4  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
$$$$
COVPDB212
  Mrv2015 05262116053D          

  7  8  0  0  1  0            999 V2000
    1.2883    0.2022    0.4357 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2976    0.5418   -0.7135 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4376    1.3451    0.4561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2763   -0.8564   -1.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8704   -1.6450   -1.7819 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2324   -1.6190   -1.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5596   -0.2459   -0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
$$$$
COVPDB213
  Mrv2015 05262115463D          

 21 22  0  0  0  0            999 V2000
  -10.5303   -1.2291   -4.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0349   -1.6793   -4.3485 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.9912   -3.2177   -4.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5410   -1.5064   -3.0107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0719   -1.1603   -3.2543 B   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7568   -0.9667   -4.7355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0794   -0.8122   -5.2793 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.3810    0.7255   -5.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0257   -1.2791   -6.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0569   -0.8125   -2.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4652    0.0637   -1.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5700    0.4235   -0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2423   -0.0658   -0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2793    0.4139    0.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4472    1.6175    0.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7888    2.2857    1.5573 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8285    3.1975    1.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5452    3.9506    2.4705 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1570    3.3848    0.3623 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8506   -0.9735   -1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7507   -1.3429   -2.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 13 20  4  0  0  0  0
 20 21  4  0  0  0  0
 10 21  4  0  0  0  0
M  END
$$$$
COVPDB214
  Mrv2015 05262115503D          

 24 25  0  0  0  0            999 V2000
    4.0140   -8.8380    0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5884   -8.7713    0.6241 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9774   -9.7450    1.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8255   -7.8420   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9391   -8.3340   -1.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -7.4587   -1.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3074   -6.0727   -1.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2008   -5.5264   -0.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9251   -6.4331    0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3880   -4.1181   -0.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2017   -3.6365    0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8659   -4.5188    1.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7319   -5.9024    1.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6868   -2.9257   -1.6785 S   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9067   -2.8495   -1.5115 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0113   -3.3576   -3.1902 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3764   -1.3140   -1.4622 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6386   -0.4678   -0.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5051    0.7426   -0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8581    1.5142    0.9260 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4347    2.5370    1.6122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6204    2.8867    1.4017 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6489    3.2371    2.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0200    4.1985    1.7516 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  9 13  4  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
$$$$
COVPDB215
  Mrv2015 05262115503D          

 35 39  0  0  1  0            999 V2000
    0.6673   -7.0503   -0.8537 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2685   -5.7873   -0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3130   -4.5462   -0.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1047   -3.5026   -0.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8737   -3.6809    0.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7989   -4.9260    1.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0068   -5.9718    0.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7858   -2.6143    1.3236 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4043   -1.1183    1.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1481   -1.8874    2.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2516   -2.9249    1.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8157   -2.7667    2.5184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0048   -3.4248    0.3569 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5816   -3.4726   -1.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7761   -4.9725   -1.2572 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1880   -5.1848   -0.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2704   -4.1285    0.4759 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6031   -4.7770    1.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6408   -4.4249    2.3880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7910   -5.7452    2.2809 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0415   -6.4644    3.4877 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.8453   -7.5710    3.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5193   -8.4984    3.3472 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8224   -6.5935    4.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0027   -5.7037    4.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5801   -5.5422   -2.9929 S   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6563   -4.7610   -3.8917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1084   -5.1480   -3.4984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7900   -7.3087   -3.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6100   -8.1196   -1.9799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8226   -9.5075   -2.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1924  -10.1127   -3.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3356   -9.3325   -4.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1277   -7.9383   -4.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2876   -7.0964   -5.8205 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  3  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 25  1  0  0  0  0
 15 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
 34 35  1  0  0  0  0
M  END
$$$$
COVPDB216
  Mrv2015 05262115463D          

 19 20  0  0  0  0            999 V2000
    2.0864    3.3950   -0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5700    1.9156   -0.1460 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7827    1.7354    0.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0815    1.7058   -1.4705 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8989    0.1946   -1.6030 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.8992   -0.3673   -0.5931 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4139    0.8391    0.0197 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0605    0.5137    1.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0914    1.2017   -0.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8691   -0.7078   -2.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5190   -1.7938   -1.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4327   -2.5767   -2.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7077   -2.2893   -3.9231 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6138   -2.9826   -4.6764 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0039   -4.2475   -4.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2902   -5.1852   -3.9467 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1265   -4.5733   -5.0568 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0506   -1.1973   -4.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1296   -0.4176   -3.8075 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 13 18  4  0  0  0  0
 18 19  4  0  0  0  0
 10 19  4  0  0  0  0
M  END
$$$$
COVPDB217
  Mrv2015 05262116003D          

 16 15  0  0  1  0            999 V2000
   -0.0963    4.4945   -3.4806 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4616    5.7415   -3.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7748    5.5434   -2.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8058    5.9004   -3.0450 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9212    4.9803   -1.0568 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1744    5.8094   -0.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4835    3.4857   -0.9497 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2177    2.6931   -1.8881 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6489    2.8672    0.4735 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0205    2.8640    0.8689 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1128    1.4132    0.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2800    1.3883    0.2033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9755   -0.0471    0.1090 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2278   -0.9439   -0.9625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9105   -0.7689    1.5165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3775    0.1223   -0.2922 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
M  END
$$$$
COVPDB218
  Mrv2015 05262115543D          

 21 22  0  0  1  0            999 V2000
   -1.6576   -0.0364   -8.7584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9177   -0.2955   -7.5681 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7442   -0.9794   -6.6261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9008   -1.7723   -5.7723 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7412   -1.2075   -4.4530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0663   -1.0600   -3.5718 P   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8188   -2.4524   -3.4912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9551   -0.0398   -4.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6429   -0.6277   -2.0884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931   -1.5762   -1.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4830   -1.0918    0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3663   -2.0837    0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7783   -2.0081    0.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5779   -2.9823    1.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9796   -4.0424    2.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5782   -4.1197    2.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2240   -3.1471    1.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4821   -1.8807   -6.4597 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9298   -3.2302   -6.5734 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2584   -1.2405   -7.8377 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3698   -0.5811   -8.3117 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$
COVPDB219
  Mrv2015 05262115543D          

 14 14  0  0  1  0            999 V2000
   -2.2883   -5.1068    1.3639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9573   -4.6227    1.2303 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9265   -3.2185    1.4922 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3762   -2.8875    2.0045 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1298   -1.9807    0.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3478   -0.7901    0.7790 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0255    0.3096   -0.1620 P   0  0  1  0  0  0  0  0  0  0  0  0
    1.2566   -0.3024   -1.6059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.8194   -0.3351 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2948    0.7710    0.4093 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1091   -4.2132    2.3438 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7185   -4.1814    3.6347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0140   -5.2594    2.2624 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4341   -6.4991    1.8694 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
$$$$
COVPDB21
  Mrv2015 05262115523D          

 27 30  0  0  1  0            999 V2000
    1.6839   -0.0448   -0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2592    0.0491   -0.0399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1551    0.7159    1.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6415    2.0329    0.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2106    2.6823    2.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3050    2.0175    3.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7279    0.7358    3.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1702    0.0829    2.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9757    2.5414    4.3953 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3111    3.0793    4.3291 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6545    3.8138    5.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1165    5.0580    5.7416 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3692    5.8757    6.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2291    5.4420    7.8161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7972    4.1605    7.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5180    3.3450    6.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3034    2.0266    3.9079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3036    0.7138    4.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4580    0.3522    5.4646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2551    2.3293    2.9013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1445    1.3530    2.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1046    0.0406    2.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1857   -0.2723    3.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9508   -0.9827    2.4443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8794   -2.2777    2.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9682   -2.5289    4.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1604   -1.5350    4.4758 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 10 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  1  0  0  0  0
 17 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 22 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 23 27  4  0  0  0  0
M  END
$$$$
COVPDB220
  Mrv2015 05262115573D          

 50 50  0  0  1  0            999 V2000
    2.2773   13.2467    1.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1350   11.9159    2.3477 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0779   12.0845    3.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8323   10.7312    1.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8567    9.2773    1.9359 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7517    8.9949    2.8103 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5271    8.8005    2.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966    8.5569    3.2808 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1555    8.9342    2.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1441    8.6725    1.8480 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2515    8.8865    3.9302 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3246    8.3702    4.7280 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9168    9.5090    5.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7870   10.4903    4.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2848   11.7331    5.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2245   12.4565    4.7449 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6509   13.7002    4.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6389   14.1481    4.2066 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1561   14.4948    5.8203 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7771    7.2288    5.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4730    6.1927    5.6408 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4927    7.2617    5.9825 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7312    6.1328    6.4347 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3833    6.6161    7.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4179    5.5212    7.4662 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5120    5.2088    5.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8409    4.0062    5.4222 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0022    5.7025    4.1232 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8098    5.0134    2.8800 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0989    4.3310    2.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2598    5.3218    2.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5588    4.6096    1.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4789    5.5593    1.0243 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8083    5.5205    1.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4930    6.3922    0.3830 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4701    4.6826    1.7928 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3503    4.0789    2.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4120    3.2141    3.8354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4063    4.0505    1.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3269    2.7893    1.2222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9821    2.5224   -0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042    3.4509   -0.8652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9315    1.1668   -0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1349    0.2242    0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6465    0.5842    1.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0834   -1.1165   -0.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8037   -1.5343   -1.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5831   -0.6137   -2.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759    0.7367   -1.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5868    1.6446   -2.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 12 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 29 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  4  0  0  0  0
 44 45  1  0  0  0  0
 44 46  4  0  0  0  0
 46 47  4  0  0  0  0
 47 48  4  0  0  0  0
 48 49  4  0  0  0  0
 43 49  4  0  0  0  0
 49 50  1  0  0  0  0
M  END
$$$$
COVPDB221
  Mrv2015 05262116013D          

 11 11  0  0  0  0            999 V2000
    0.6025    3.6499   -4.6746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2983    2.9524   -3.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4812    2.9628   -4.3514 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931    2.2291   -2.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4144    2.3313   -2.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8337    1.5736   -1.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9386    0.6948   -0.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3989   -0.1465    0.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0901   -1.8053   -0.1001 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3904    0.6092   -0.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8088    1.3692   -2.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  4  0  0  0  0
 10 11  4  0  0  0  0
  4 11  4  0  0  0  0
M  END
$$$$
COVPDB222
  Mrv2015 05262116013D          

 39 43  0  0  1  0            999 V2000
   -2.0824   -3.7746   -1.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3580   -3.0534   -0.1152 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9153   -2.7281    0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9770   -3.9215    1.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6212   -1.7482   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2899   -1.4476   -0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5153   -2.4266   -0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2227   -3.3233   -0.3932 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1995   -0.0919   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6946    0.7745    0.1565 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5134    0.4486   -0.1071 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6940   -0.3856   -0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0658    0.2084    0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2380    1.6682   -0.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0604    2.5095    0.2422 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7029    1.9059   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2769    3.8938   -0.1089 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8975    4.4474   -1.2257 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3161    5.7266   -1.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0430    5.9815   -0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9824    4.8049    0.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8056    7.0614    0.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9999    8.2080   -0.3290 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4120    6.9080    1.5583 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3278    5.7531    2.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    4.6974    1.7915 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    6.5659   -2.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4412    7.8177   -2.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2412    8.6460   -3.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6860    8.2429   -4.6552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2890    6.9775   -4.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4816    6.1440   -3.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5302    9.0673   -5.7406 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    9.8890   -5.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7060    9.5126   -6.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8477   10.3305   -6.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9038   11.5376   -6.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8124   11.9364   -5.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6697   11.1211   -5.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 17 21  4  0  0  0  0
 20 22  4  0  0  0  0
 22 23  1  0  0  0  0
 22 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 19 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 34 39  4  0  0  0  0
M  END
$$$$
COVPDB223
  Mrv2015 05262115433D          

 12 12  0  0  0  0            999 V2000
   -2.7411   -5.4731   -1.8880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8308   -4.7011   -0.5697 B   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5794   -5.3005    0.6235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2757   -3.2278   -0.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1406   -2.1483   -0.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6340   -0.8356   -0.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2576   -0.5719   -0.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4039   -1.6738   -0.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9072   -2.9879   -0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7573    0.7581   -0.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5694    1.8156   -0.1201 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4540    1.0178   -0.5543 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
$$$$
COVPDB224
  Mrv2015 05262116133D          

 20 21  0  0  1  0            999 V2000
    0.3293   -4.3870   -2.6987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5245   -4.2539   -1.4332 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2694   -5.4840   -0.8862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4450   -5.1200   -0.1401 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6026   -4.5865   -1.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8473   -5.3854   -2.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8011   -4.7868   -3.4738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1242   -6.6048   -2.1893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0834   -4.1704    1.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4882   -2.8081    0.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3731   -2.9076   -0.4957 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4668   -1.8112   -1.4080 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5033   -0.9169   -1.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6398   -0.9594   -1.2048 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2153    0.0939   -2.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4217    1.4750   -2.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5545    2.4360   -1.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655    3.7082   -1.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3257    3.8291   -1.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9766    2.2640   -2.0907 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
M  END
$$$$
COVPDB225
  Mrv2015 05262116013D          

 17 18  0  0  0  0            999 V2000
    2.2402   -0.7177   -4.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6729   -0.0378   -3.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0366   -0.6702   -2.0513 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4116    0.0953   -0.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7003   -0.4508    0.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9180   -2.1394   -1.9756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9159   -2.8877   -2.0238 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2390   -2.3600   -1.8162 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4582   -1.0311   -1.8833 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4874   -0.3206   -1.8090 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0271   -3.4662   -1.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4692   -4.7615   -1.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2845   -5.8853   -1.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6801   -5.7128   -1.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5802   -6.8530   -0.9461 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1972   -4.4632   -1.3258 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4346   -3.3615   -1.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 11 17  4  0  0  0  0
M  END
$$$$
COVPDB226
  Mrv2015 05262116083D          

 25 26  0  0  1  0            999 V2000
    3.9900    2.5104   -0.1930 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0649    3.0179    0.7654 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1904    4.5270    1.0055 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5182    5.2169   -0.2027 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7677    4.9029    1.4996 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8773    3.8237    1.1368 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966    2.8939    0.3121 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0376    1.4555    0.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3479    1.4210    0.0407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0167   -0.0328    0.0436 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2552   -0.9707   -0.9830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9177   -0.6716    1.4911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4269    0.0718   -0.3478 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7609    5.1903    2.9278 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9937    6.4700    3.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0404    6.8232    4.7299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8241    5.7658    5.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5854    4.4330    5.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5698    4.1919    3.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3753    3.3976    6.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0688    1.7296    5.8017 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3992    3.6350    7.4318 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2910    8.1441    5.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5096    9.1643    4.3256 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3578    8.6420    6.7811 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
  5 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  CHG  1  14   1
M  END
$$$$
COVPDB227
  Mrv2015 05262116013D          

 26 27  0  0  0  0            999 V2000
   -6.9514   -5.1873    6.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8419   -5.8943    5.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4630   -7.0819    5.2738 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5720   -7.9289    3.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2434   -7.0005    2.6158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0768   -7.6117    1.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8780   -8.3160    1.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6726   -8.9766   -0.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6539   -8.9206   -1.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8433   -8.1997   -0.8417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0711   -7.5420    0.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1968   -6.7975    0.6053 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4711   -7.1030    0.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7720   -8.2133   -0.2731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5356   -6.1070    0.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3891   -4.8379   -0.7847 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3638   -9.7413   -2.6208 S   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2356   -8.9518   -3.4433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8374  -11.2311   -2.3410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8571   -9.8011   -3.5661 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6608  -11.0455   -3.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2243  -12.0460   -4.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2386  -11.4859   -6.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1478  -10.4168   -6.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4668   -8.9591   -5.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1266   -8.7482   -4.5756 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 26  1  0  0  0  0
M  END
$$$$
COVPDB228
  Mrv2015 05262115563D          

 28 30  0  0  1  0            999 V2000
    1.8305   -1.8369   -1.2696 N   0  5  0  0  0  0  0  0  0  0  0  0
    0.9276   -1.2852   -0.7887 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0135   -0.7392   -0.3112 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3132   -1.1120   -0.5414 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7036   -2.4165    0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4438   -1.9719    1.4685 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9717   -0.6721    1.1376 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3136   -0.0715    0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0046   -0.0779    1.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5388   -0.7131    2.7909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5689    1.2770    1.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4163    2.2255    2.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8450    3.6858    2.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8613    4.5281    3.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7399    5.3098    4.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7609    6.0898    5.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9023    6.0999    6.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0230    5.3281    5.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0020    4.5472    4.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5616   -1.9777    2.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1348   -0.8704    3.0879 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1880   -3.1266    3.3620 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3041   -3.0947    4.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -4.5499    4.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5699   -5.3626    3.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6139   -4.4648    3.0467 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8959   -4.6831    3.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9662   -4.8494    3.8822 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  3  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
$$$$
COVPDB229
  Mrv2015 05262115583D          

 12 12  0  0  0  0            999 V2000
   -3.6525    4.7936   -0.0643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4104    3.6680   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6507    3.8252    0.0321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8352    2.3734    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6083    1.3850    0.0279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4579    2.1818    0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8358    0.9879    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4582    0.8522    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2410   -0.3512   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5443   -0.0589   -0.0011 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6686    1.2751   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4534    1.8458   -0.0019 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  10
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB22
  Mrv2015 05262115423D          

 41 44  0  0  1  0            999 V2000
   -4.8792   -2.8338    0.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708   -2.1386    0.8735 N   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3927   -2.8424    0.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2090   -2.1587    1.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1641   -0.7406    0.9701 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4031   -0.0230    1.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6023   -0.6897    0.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0463   -0.1165    0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1038    1.0991    0.1169 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1354   -0.7753    0.1868 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2541   -0.3273   -0.6042 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9969   -0.4538   -2.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8894    0.4123   -2.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3077   -0.1409   -3.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3515    0.6909   -3.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2222    2.0889   -3.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0402    2.6548   -3.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0088    1.8232   -2.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5493   -0.9916   -0.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5409   -0.1796   -0.2760 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7047   -2.3621    0.1401 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7085   -3.4416    0.2263 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4549   -3.7160    1.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498   -4.3371    2.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4577   -4.3477    4.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7706   -3.1996    4.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6665   -3.2207    6.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2323   -4.3858    6.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8863   -5.5240    6.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9940   -5.5043    4.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2376   -4.6240   -0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4782   -5.6848   -0.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1587   -7.1271   -1.4743 S   0  0  2  0  0  0  0  0  0  0  0  0
    4.1281   -6.7305   -2.6931 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9749   -8.0460   -2.0563 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0565   -8.0333   -0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4852   -8.2159    1.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985   -8.8945    2.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4818   -9.4046    1.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -9.2381    0.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3413   -8.5527   -0.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 11 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 22 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  2  0  0  0  0
 33 36  1  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 36 41  4  0  0  0  0
M  END
$$$$
COVPDB230
  Mrv2015 05262116123D          

 27 29  0  0  1  0            999 V2000
    2.5124  -12.3940   -1.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8865  -10.9814   -1.1076 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2166  -10.4072    0.1564 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3812  -10.0376   -2.2411 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6692   -8.6327   -2.3110 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2567   -7.2417   -2.6885 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8035   -7.1552   -2.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6788   -6.9893   -4.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7610   -5.4314   -4.7730 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1981   -4.5692   -4.3499 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1136   -3.1604   -4.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4063   -2.2198   -3.9760 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6920   -2.9571   -2.7318 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2529   -2.1592   -1.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9079   -0.8389   -1.3870 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3217    0.1134   -0.0212 S   0  0  1  0  0  0  0  0  0  0  0  0
    1.4127    0.3550   -0.1475 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0460    1.5428   -0.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6499   -0.6435    1.3524 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0352   -4.3150   -2.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1314   -8.0997   -4.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3610   -9.0088   -3.6251 N   0  0  1  0  0  0  0  0  0  0  0  0
    1.8128  -10.2575   -3.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9218  -11.1814   -4.4140 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5199   -8.3142   -5.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4432   -7.3561   -6.7160 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0012   -9.4216   -6.0295 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  2  0  0  0  0
 13 20  1  0  0  0  0
 10 20  1  0  0  0  0
  8 21  2  0  0  0  0
 21 22  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
  4 23  1  0  0  0  0
 23 24  2  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
$$$$
COVPDB231
  Mrv2015 05262116013D          

 12 13  0  0  0  0            999 V2000
    0.0713   -2.1204   -1.9433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6405   -2.1820   -0.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4560   -3.2971   -0.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1923   -3.2027    0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8009   -1.6610    1.2376 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7012   -1.1975    0.0184 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0163   -0.0220    0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7135    1.2067    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0082    2.4239    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3989    2.4237   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015    1.2045   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3973   -0.0135   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
M  END
$$$$
COVPDB232
  Mrv2015 05262116013D          

 20 21  0  0  0  0            999 V2000
    0.1224   -3.4288   -0.4807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6689   -2.3476   -0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0557   -2.6057   -0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5594   -3.8551   -0.3092 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9495   -1.5600    0.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4668   -0.2523    0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0913    0.0095    0.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1523   -1.0257   -0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2498   -0.7243   -0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0852   -1.6164   -0.4655 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7391    0.5322    0.0409 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1081    0.9181   -0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2801    2.4096    0.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417    2.8249    0.1128 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6611    2.6462    0.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5959    2.0831    2.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7905    3.1814    0.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4841    3.6759   -0.7499 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1600    3.4538   -0.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5458    3.7728   -2.0150 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
$$$$
COVPDB233
  Mrv2015 05262116013D          

 22 22  0  0  1  0            999 V2000
   -1.9400   -0.2789   -7.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0084    0.6526   -8.0584 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5265    0.5393   -7.6023 P   0  0  1  0  0  0  0  0  0  0  0  0
    0.8632   -0.8235   -7.1656 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5140    0.9797   -8.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2519    2.4105   -9.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0632    2.7335  -10.7875 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5137    2.7164  -10.5444 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7171    4.0539  -11.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1848    4.1507  -12.5990 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9255    5.1106  -10.7182 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8320    1.5939   -6.4321 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1118    1.4194   -5.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5451    0.5251   -4.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1925    0.3859   -3.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3790    1.1209   -2.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8430    2.0085   -3.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1269    2.7472   -3.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0985    2.3681   -4.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4968    3.2738   -5.7275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5588    1.2050   -4.8663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0611    2.1746   -5.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 17 22  4  0  0  0  0
 13 22  4  0  0  0  0
M  END
$$$$
COVPDB234
  Mrv2015 05262115533D          

 41 43  0  0  1  0            999 V2000
   -5.1213   -3.1298   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0892   -2.4757    0.8501 N   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7323   -3.0724    0.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6702   -2.3698    1.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7261   -0.9323    1.3592 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0229   -0.3369    1.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0912   -0.9857    0.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6398   -0.1776    0.9357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7224    1.0749    0.9086 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5432   -0.7382    0.5289 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7126   -0.0334    0.0867 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9419   -0.9918    0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3841   -1.3346    1.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930   -2.4136    1.6752 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8249   -2.6565    3.0475 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7635   -3.4833    3.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9058   -3.5936    4.8031 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5296   -4.1709    2.7404 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4530    0.5888   -1.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4200    1.8686   -1.2400 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1913   -0.2530   -2.3437 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6462    0.2693   -3.6115 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6471    1.1707   -4.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0170    0.5600   -4.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7428    1.4113   -5.8282 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2357    1.5598   -7.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8984    2.3608   -8.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0911    3.0174   -7.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6183    2.8717   -6.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9489    2.0768   -5.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2229   -0.8858   -4.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0399   -1.1177   -4.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4469   -2.4788   -5.8115 S   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0373   -2.7089   -5.8102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7542   -3.8115   -5.2401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8774   -2.1656   -7.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4754   -2.3932   -7.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9473   -2.1160   -9.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0691   -1.6109  -10.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2829   -1.3884   -9.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7545   -1.6587   -8.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 11 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 22 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  2  0  0  0  0
 33 36  1  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 36 41  4  0  0  0  0
M  END
$$$$
COVPDB235
  Mrv2015 05262115433D          

  7  7  0  0  0  0            999 V2000
    1.8039   -0.3079    0.0388 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0749    0.0034    0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651    1.3450    0.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2557    2.5308   -0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750    3.5126    0.8123 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5182    2.9681    2.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3286    1.6391    1.9571 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  3  7  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   5
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB236
  Mrv2015 05262116003D          

 25 27  0  0  0  0            999 V2000
    3.0890   -7.1191    0.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1696   -7.1962    1.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365   -7.9310    2.4987 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9332   -6.4762    1.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1717   -6.4773    2.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0406   -5.7714    2.9325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5102   -5.0253    1.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724   -4.9795    0.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4209   -5.7293    0.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2202   -4.2304   -0.4059 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6226   -3.1924   -1.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4513   -2.7690   -1.9787 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4979   -3.5244   -1.9264 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3671   -4.3984   -0.9800 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8993   -2.3763   -0.6254 S   0  0  1  0  0  0  0  0  0  0  0  0
    2.1015   -3.4149   -0.4075 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3088   -1.3756   -1.8126 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6706   -1.4096    0.9185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3183   -0.3315    0.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6976   -0.5453    0.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6389    0.4491    0.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2141    1.6715    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8428    1.9097   -0.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3249    3.3824   -0.8390 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0984    0.9132    0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 23 25  4  0  0  0  0
 19 25  4  0  0  0  0
M  END
$$$$
COVPDB237
  Mrv2015 05262115443D          

 20 21  0  0  0  0            999 V2000
   -2.5519   -5.9125   -0.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8285   -7.2775   -0.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1167   -8.0034    0.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1418   -7.3563    1.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8580   -5.9935    0.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5452   -5.2425   -0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1930   -3.9201   -0.3508 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0178   -2.9729    0.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5025   -3.1810    1.7919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3235   -1.7942    0.5772 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4072   -1.4443   -0.3981 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2095   -0.4960   -1.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8100    0.3371   -1.1857 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0849   -0.3570   -2.2062 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0188   -3.5705   -1.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0016   -2.7949   -2.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8410   -2.4356   -3.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6911   -2.8398   -4.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2880   -3.6194   -3.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1240   -3.9865   -2.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
M  END
$$$$
COVPDB238
  Mrv2015 05262115563D          

 12 12  0  0  0  0            999 V2000
   -3.4634   -5.1410   -2.8742 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.0122   -4.1389   -2.3139 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.1806   -4.1632   -2.3275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3039   -3.1385   -1.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9315   -2.0271   -1.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1800   -0.9880   -0.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7684   -1.0187   -0.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1325   -2.1224   -1.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8869   -3.1566   -1.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1253    0.0012    0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0702    0.1849    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6767    0.4396    0.2458 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  2  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
$$$$
COVPDB239
  Mrv2015 05262115423D          

 15 14  0  0  0  0            999 V2000
   -4.1914   -0.7482   -3.2539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5902   -1.6791   -2.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7741   -1.6625   -1.9490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6440   -2.6988   -1.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1026   -2.3550   -0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0217   -3.3609    0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4492   -3.0429    1.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3882   -4.0830    1.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1978   -3.7657    3.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3055   -4.2814    4.2405 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3794   -2.8830    3.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7110   -3.6769    3.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8882   -2.7923    3.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7685   -2.6916    2.3710 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0922   -2.1156    4.4256 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
$$$$
COVPDB23
  Mrv2015 05262115563D          

 29 31  0  0  0  0            999 V2000
   -0.4316    4.2866    7.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4644    3.8095    6.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1502    4.7327    5.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1093    4.2905    4.8986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3944    2.9149    4.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7320    1.9911    5.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7776    2.4352    6.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3131    2.4469    3.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6914    2.3523    3.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1876    1.8124    2.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5884    2.6739    5.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2054    3.1830    6.1838 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9149    2.4575    4.7903 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3887    1.9450    3.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5257    1.6265    2.6204 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    1.9377    2.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7014    1.8571    2.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0613    0.7564    1.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6311   -0.3928    1.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1415   -1.4213    1.5925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7399    0.8056    1.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0387    1.7087    1.5267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2615   -0.1130    0.2299 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0731   -0.1889   -0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1651    1.5597    1.9250 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2781    1.0686    0.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1225    0.0795    0.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2803   -0.4587   -1.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9098    0.4464   -2.0446 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  9 11  4  0  0  0  0
 11 12  1  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
  8 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  3  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 16 25  4  0  0  0  0
 10 25  4  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
$$$$
COVPDB240
  Mrv2015 05262115483D          

  7  6  0  0  0  0            999 V2000
   -3.1293   -3.6740   -0.7812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -3.1941   -0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -1.6607   -0.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2136   -1.2963   -0.1431 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2903   -0.0252   -0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4491    0.9818   -0.2190 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7345    0.1727    0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
M  END
$$$$
COVPDB241
  Mrv2015 05262115473D          

 39 41  0  0  1  0            999 V2000
    9.6885   -2.4879   -4.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8476   -2.3813   -3.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9067   -3.0181   -2.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8084   -3.7644   -2.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6522   -3.8730   -2.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5673   -3.2270   -4.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3138   -3.2986   -5.0170 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0674   -4.7269   -5.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1790   -2.8893   -4.2410 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9594   -1.6373   -3.7426 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7276   -0.6989   -4.0649 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8827   -1.3572   -2.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5906   -0.1583   -2.6335 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0356   -2.4029   -2.1351 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6827   -2.5023   -2.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7152   -3.5938   -2.4369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4531   -3.7901   -3.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4860   -4.8819   -2.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8453   -2.1700   -0.6256 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6442   -3.1746    0.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7200   -4.3721   -0.1011 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3134   -2.8734    1.5522 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6568   -3.7816    2.4690 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7043   -3.3405    3.9715 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7089   -4.5840    4.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9664   -2.4804    4.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1496   -3.7257    2.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7499   -2.5505    2.8444 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3725   -2.5294    4.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -1.5061    2.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3393   -0.5842    3.1286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3915   -1.4371    1.0400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8744   -0.3410    0.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8091   -0.3779   -0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276   -1.5576   -1.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9921    0.8676   -1.1347 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2298    1.6938   -0.4739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5199    1.0111    0.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4819    1.6604    1.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  4  0  0  0  0
 34 35  1  0  0  0  0
 34 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 33 38  4  0  0  0  0
 38 39  1  0  0  0  0
M  END
$$$$
COVPDB242
  Mrv2015 05262115453D          

 37 39  0  0  1  0            999 V2000
   -1.0902   16.4517    1.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6609   14.9631    1.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5766   14.0213    0.7623 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0827   12.5433    0.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0231   11.5128    0.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7945   10.0342    0.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8410    9.1384   -0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6992    7.7672    0.2754 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5518    6.7789   -0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5992    7.0763   -0.7510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2070    5.4174    0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3593    5.0258    1.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8608    3.7132    1.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    2.7595    0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6238    1.5245    0.1655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2846    1.2578    0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1816   -0.0254   -0.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5185   -0.2729   -0.1556 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4413    0.6703    0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8239    0.3991    0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7445    1.4040    0.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2878    2.6813    0.8857 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9088    2.9619    0.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9845    1.9599    0.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6478    2.1955    0.5444 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1505    3.1038   -0.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6453    4.4177   -0.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7126   14.4801   -0.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7025   14.9821   -1.2096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7917   14.4558   -1.5145 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0304   13.7211   -1.5189 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0447   13.8999   -0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3200   13.0855   -0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5428   13.6867   -0.1451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2661   11.8350   -0.2927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7305   14.0821   -2.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   13.2218   -3.6420 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 24 25  4  0  0  0  0
 16 25  4  0  0  0  0
 14 26  4  0  0  0  0
 26 27  4  0  0  0  0
 11 27  4  0  0  0  0
  3 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 31 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
$$$$
COVPDB243
  Mrv2015 05262116073D          

  5  4  0  0  0  0            999 V2000
    2.3393    0.0421   -0.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0712    0.3649   -0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9624    1.4640    0.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0671   -0.5731   -0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0587   -1.4390    0.8549 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
$$$$
COVPDB244
  Mrv2015 05262115543D          

 14 14  0  0  1  0            999 V2000
    1.3019    5.4822    2.7832 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7433    4.2136    2.3107 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9005    3.7685    1.2449 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6656    2.8802    0.4139 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0936    1.4444    0.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2790    1.4835    0.0560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486    0.0842    0.0164 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3325   -0.8894   -1.0072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0135   -0.5904    1.4488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4390    0.3042   -0.3967 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1566    3.0019    0.8327 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0374    3.1113   -0.2854 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1662    4.2493    1.7304 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3790    5.4022    1.0038 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
$$$$
COVPDB245
  Mrv2015 05262115573D          

 26 28  0  0  0  0            999 V2000
   10.5025   -4.0665    2.4557 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2239   -3.6344    2.1904 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7584   -3.1153    3.3770 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4499   -4.7248    1.8814 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1708   -2.6533    1.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1768   -1.6473    1.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1296   -0.6882    0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0749   -0.7503   -1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0670   -1.7585   -1.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0926   -2.7089   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0336   -1.8315   -2.1944 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5215   -2.6486   -3.1718 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2615   -2.3206   -1.8138 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2851   -0.6066   -2.7685 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360    0.3060    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3429    1.6284   -0.0711 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1160    2.1673   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1872    1.1910    0.0326 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8191    0.0586    0.0888 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8533    1.3601    0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9678    0.3461    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5994    0.5243    0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6981   -0.4743   -0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897    0.0402   -0.0040 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3578    1.3742   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9476    1.7087    0.0017 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 15 19  4  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 22 26  4  0  0  0  0
M  END
$$$$
COVPDB246
  Mrv2015 05262116013D          

 27 30  0  0  1  0            999 V2000
    1.5308   -0.0251   -0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931    0.0275   -0.1921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4279    0.6215    0.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7541    1.9930    0.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3115    2.6000    2.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448    1.8481    3.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2380    0.4660    3.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6867   -0.1420    2.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0963    2.4741    4.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1071    2.4500    5.5109 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0560    1.4521    6.3419 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0015    1.4983    7.0868 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6791    2.5943    6.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0585    3.2702    5.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4242    4.5781    5.2393 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4892    5.6060    4.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3180    4.7113    3.8143 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0271    2.9640    7.2352 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6824    4.0952    6.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6889    5.1886    5.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1740    3.2202    8.6477 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3066    3.2017    9.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0735    3.0376    9.5533 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8732    3.3263   10.9331 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2335    3.0827   12.1972 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0073    1.9550   12.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1658    4.3683   13.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
$$$$
COVPDB247
  Mrv2015 05262116013D          

 29 32  0  0  0  0            999 V2000
    0.8084    0.9117   -0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7587   -0.4217   -0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1948   -1.4189   -0.0008 S   0  0  1  0  0  0  0  0  0  0  0  0
    3.4953   -0.5583    0.3869 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0149   -2.5751    1.1018 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4321   -2.1346   -1.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6994   -3.5096   -1.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7799   -4.0874   -3.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5435   -3.3120   -4.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3798   -1.9183   -4.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3202   -1.3340   -2.7649 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -3.8240   -5.4517 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7921   -4.9802   -5.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -5.1541   -7.1031 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4513   -5.9341   -4.8898 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7392   -7.0548   -5.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3539   -7.2287   -6.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7151   -6.2561   -7.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3540   -8.1843   -7.1487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4286   -7.7954   -8.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2152   -6.6303   -8.6333 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4198   -7.9295   -4.1799 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5418   -7.3711   -3.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6428   -8.2347   -1.9630 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8738   -7.8021   -1.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9998   -8.6426    0.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6978   -8.5881    1.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5486   -8.9963    0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6654   -8.1707   -1.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 13 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 14 18  4  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 18 21  4  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  21
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB248
  Mrv2015 05262116013D          

 32 35  0  0  0  0            999 V2000
    7.7713   -1.1881    5.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8330   -1.9531    4.5295 N   0  0  1  0  0  0  0  0  0  0  0  0
    9.2223   -3.2243    5.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4331   -3.8674    4.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0936   -4.0880    3.0902 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7340   -2.8650    2.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5398   -2.1632    3.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0485   -5.3417    2.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9642   -6.5959    3.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8225   -7.7877    2.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6621   -8.9809    3.0278 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400  -10.1510    2.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8305  -11.2546    3.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4422  -12.2197    2.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9117  -13.5652    2.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6363  -11.6764    1.0779 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0982  -10.4673    1.1696 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7887   -7.7049    1.0329 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8692   -6.5210    0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6886   -6.4452   -0.9715 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3358   -6.4394   -1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6943   -7.6243   -1.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2902   -7.6779   -1.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5223   -6.5402   -1.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1509   -5.3219   -1.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3628   -4.2543   -0.6942 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6021   -2.9326   -0.9522 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5519   -2.5823   -1.6942 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7817   -1.9329   -0.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9933   -2.0444    0.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5633   -5.2796   -0.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0133   -5.3866    1.1100 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 10 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 25 31  4  0  0  0  0
 21 31  4  0  0  0  0
 19 32  4  0  0  0  0
  8 32  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  16
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB249
  Mrv2015 05262116013D          

 27 30  0  0  1  0            999 V2000
    1.5528   -0.0044   -0.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1196   -0.0401   -0.0224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3656    0.6079    1.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8677    1.9187    0.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4165    2.5774    2.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4776    1.9382    3.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9710    0.6206    3.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4238   -0.0396    2.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1035    2.5980    4.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2050    2.7311    5.6413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2799    1.9616    6.6889 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3322    2.2044    7.5388 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172    3.1917    7.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1675    3.5782    5.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3990    4.6993    5.0376 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5721    5.7608    4.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0208    4.8004    3.6572 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6657    3.7656    7.5900 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5513    4.3288    6.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7722    5.2873    5.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3493    2.7417    8.3370 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4681    2.8772    9.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0485    3.9826    9.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9318    1.7701    9.7423 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1156    1.7094   10.5514 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8967    2.3555   11.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5608    0.2307   10.6858 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
$$$$
COVPDB24
  Mrv2015 05262115563D          

 32 34  0  0  0  0            999 V2000
    2.5449    4.5660    8.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7746    3.3151    7.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161    2.1542    7.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7024    0.9492    7.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3303    0.8918    7.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3206    2.0552    7.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3960    3.2540    8.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3930   -0.3158    7.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974   -0.9262    6.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7194   -0.3384    4.9963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0729   -0.8347    3.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4488   -2.0007    3.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369   -3.0398    3.8726 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1370   -0.0410    2.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5751    1.1205    2.9713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211   -0.4926    1.5233 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1025    0.1534    0.2445 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6323    0.3039    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6007    1.5445    0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5111   -0.7989   -0.8239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5607   -2.0715    6.5918 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2324   -3.0313    5.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4261   -2.4617    4.9337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750   -3.5610    4.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2522   -2.9957    3.4009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4813   -2.1904    7.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7523   -1.1329    8.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9912   -3.1487    8.7569 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7836   -3.0877   10.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0495   -2.0712   10.6308 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5153   -1.0868    9.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2270   -0.1366   10.4521 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  3  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  9 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 26  4  0  0  0  0
 26 27  4  0  0  0  0
  8 27  4  0  0  0  0
 26 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 27 31  4  0  0  0  0
 31 32  1  0  0  0  0
M  END
$$$$
COVPDB250
  Mrv2015 05262116013D          

 25 28  0  0  1  0            999 V2000
    0.7850    0.6758   -1.8779 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2155    0.4018   -1.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3274    0.0911   -0.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9829   -1.0202   -1.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8353    0.8949    0.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0792    1.6975    0.8186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2562    0.7981    0.6878 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9314    2.2029    0.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0802   -0.2611   -0.1357 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1999   -1.5084   -0.5501 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7496   -2.3965    0.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4270   -0.7108    0.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2557   -1.6707   -0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4212   -2.5019   -1.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0401   -2.3964   -1.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6431   -3.2650   -2.3521 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6788   -3.8949   -2.8213 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5828   -4.8913   -3.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8051   -3.4821   -2.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1156   -3.9652   -2.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7347   -4.7728   -1.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0350   -5.2673   -1.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7054   -4.9382   -2.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0918   -4.1569   -3.7348 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8359   -3.6685   -3.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 10 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 17 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
M  END
$$$$
COVPDB251
  Mrv2015 05262116013D          

 24 27  0  0  1  0            999 V2000
    3.1993    6.1300    2.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9864    5.0784    1.2007 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2282    4.4132    0.9709 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9079    4.0209    1.5663 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5630    2.9900    0.4272 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2251    1.4779    0.5412 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5904    0.8316    1.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2090    1.4371    0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0226   -0.0557   -0.1085 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1395   -0.2068   -1.9313 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9667   -1.4682   -2.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0101   -2.2202   -3.0518 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9834   -3.4253   -3.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2390   -3.5901   -4.1837 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9268   -2.4669   -3.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1188   -1.6572   -3.2048 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.2445   -0.3807   -2.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7617    2.6620    0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2473    3.4354    0.6079 N   0  0  1  0  0  0  0  0  0  0  0  0
    0.4995    4.4293    1.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2092    5.2404    2.0936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0773    3.0668    0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0933    2.1942   -0.0677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3771    4.2815    0.1649 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 12 16  4  0  0  0  0
 16 17  1  0  0  0  0
 10 17  1  0  0  0  0
  8 18  2  0  0  0  0
 18 19  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  2  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  CHG  1  16   1
M  END
$$$$
COVPDB252
  Mrv2015 05262115473D          

 19 19  0  0  1  0            999 V2000
    0.6407   -1.4689   -7.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0886   -1.1217   -5.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5544   -2.0699   -4.9812 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8374   -2.0525   -3.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532   -2.6406   -3.2178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0656   -1.3432   -2.7367 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3953   -1.8757   -2.8290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7431   -2.0233   -1.5625 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1652   -1.1148   -0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3864   -0.8621   -0.3569 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135   -0.5462    0.3028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4243    0.4733    1.2925 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6918    0.4350    2.4014 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1464    0.5594    1.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4762    1.4762    3.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8529    1.3466    4.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5486    1.7843    0.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6513    2.5487    0.7834 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3431    2.2080   -0.1605 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
$$$$
COVPDB253
  Mrv2015 05262116013D          

 44 48  0  0  1  0            999 V2000
    6.8669   -7.5274   -6.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6153   -7.6263   -5.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7437   -8.1021   -4.2365 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0254   -7.1549   -3.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6025   -7.6636   -3.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5327   -9.0756   -2.7058 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3830   -9.5706   -2.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3276  -10.7507   -1.6587 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2504   -8.8048   -1.9738 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9784   -9.2217   -1.4464 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9765   -9.4328    0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2346  -10.3182    0.5149 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6274   -8.5445    0.8202 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2512   -8.2118    2.1584 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8373   -6.8661    2.6919 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9744   -5.8786    1.6699 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4501   -4.2085    2.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9910   -3.9879    2.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5674   -2.5833    2.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3712   -2.1672    0.3570 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3873   -0.5842    0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5909   -0.3166    0.8686 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8078    0.9435    0.6721 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.4752    0.0563 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0895    0.5622   -0.1580 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3356    0.7719   -0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1128   -5.0130    2.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5466   -6.2938    2.5112 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0092   -7.4605    2.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1683   -7.7735    1.8035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2571   -4.8274    2.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8973   -5.2982    3.7038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310   -4.2418    1.7306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0460   -8.1028   -1.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759   -6.7670   -1.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8277   -5.7917   -1.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0624   -6.1268   -1.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0572   -5.2105   -2.0963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2762   -7.4337   -2.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2791   -8.4154   -2.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5835   -9.9085   -3.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6487  -11.1113   -2.7260 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888   -9.4493   -3.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2887  -10.3039   -4.5723 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 21 25  4  0  0  0  0
 25 26  1  0  0  0  0
 18 27  2  0  0  0  0
 27 28  1  0  0  0  0
 15 28  1  0  0  0  0
 28 29  1  0  0  0  0
 14 29  1  0  0  0  0
 29 30  2  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 10 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  1  0  0  0  0
 37 39  4  0  0  0  0
 39 40  4  0  0  0  0
 34 40  4  0  0  0  0
  6 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
  3 43  1  0  0  0  0
 43 44  2  0  0  0  0
M  END
$$$$
COVPDB254
  Mrv2015 05262116013D          

 32 35  0  0  1  0            999 V2000
   -1.1741  -10.1764    1.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8755   -8.6531    1.4925 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5747   -8.4510    2.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9258   -7.8783   -0.1757 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8856   -6.3894    0.2550 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2523   -4.9894    0.5582 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1606   -4.9706    0.3490 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0295   -3.9952   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2087   -4.4164   -0.0678 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8201   -2.5754   -0.4198 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3478   -1.9181    0.0989 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5011   -0.5595    0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4247    0.1886   -0.1932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6348    0.0028    0.7551 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7462   -0.7367    1.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    0.3394    1.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0739    1.5405    1.4642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8749    1.3315    0.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1124    2.2754    0.6027 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9238   -2.4915   -1.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0339   -3.1176   -2.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1255   -3.1244   -4.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2308   -2.4811   -4.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1733   -1.8275   -3.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0188   -1.8307   -2.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5284   -5.3288    1.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2866   -4.7453    3.0362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9147   -6.5662    1.6531 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9184   -7.8184    2.3377 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3025   -8.3452    2.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8081   -8.7119    3.6412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0378   -8.4595    1.4323 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
 10 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
  6 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  5 28  1  0  0  0  0
 28 29  1  0  0  0  0
  2 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
$$$$
COVPDB255
  Mrv2015 05262116013D          

 27 28  0  0  1  0            999 V2000
   -3.9081    4.4731   -4.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9698    5.2034   -4.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5048    6.2274   -4.8025 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4339    6.9085   -4.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1112    6.0557   -2.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2691    5.0354   -2.8041 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2151    5.2879   -1.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6414    5.0485   -0.1449 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9173    3.7764   -0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317    2.5932    0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8995    1.3596    0.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6150    0.3368    0.2842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5391    1.2183    0.0653 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1570   -0.0385    0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6778    0.1684   -0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8284    6.0939    0.4227 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1905    7.3916    0.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2804    7.8543    0.2444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3409    8.2647    1.5195 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5908    7.8997    3.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1874    8.2339    1.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5713    8.8810   -0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573   10.2676   -0.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7480   10.8991   -1.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3771   10.1585   -2.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6011    8.7817   -2.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2049    8.1480   -1.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
M  END
$$$$
COVPDB256
  Mrv2015 05262116013D          

 35 36  0  0  1  0            999 V2000
   -3.6711    4.3177   -4.5709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7790    5.1169   -4.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4299    6.1776   -4.9347 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4394    6.9705   -4.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9473    6.1017   -3.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0402    5.0222   -2.9385 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0035    5.2520   -1.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4654    5.0431   -0.2811 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8314    3.7291   -0.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4998    2.5952    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9098    1.3481    0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6443    0.3467    0.3475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5529    1.2041    0.0690 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1822   -0.0248    0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6885    0.2729   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5888    5.9840    0.3783 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6390    7.3377    0.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0096    7.6604    1.6384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3296    8.4432   -0.1349 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5900    8.9835    0.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6644    8.0161    0.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3419    6.9520    1.5481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1205    8.3249    0.9001 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3485    9.4296    1.8426 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7257    8.6565   -0.5082 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3032    7.6465   -1.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2817    8.7273   -0.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3728    9.6625   -0.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0526    9.3710   -1.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0683    9.0073   -0.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3209    8.7663   -0.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4835    8.9050   -2.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6525    8.6980   -2.7881 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3861    9.2807   -3.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    9.5150   -2.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  1  0  0  0  0
 32 34  4  0  0  0  0
 34 35  4  0  0  0  0
 29 35  4  0  0  0  0
M  END
$$$$
COVPDB257
  Mrv2015 05262116013D          

 33 34  0  0  1  0            999 V2000
   -3.5425    4.2913   -4.6229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6999    5.1138   -4.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3196    6.1874   -4.8967 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    6.9746   -4.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9281    6.0853   -3.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0469    5.0222   -2.8836 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0747    5.2826   -1.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6104    5.0651   -0.2530 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9192    3.7863   -0.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5562    2.6270    0.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9291    1.3965    0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6261    0.3780    0.4911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5729    1.2740    0.1265 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1778    0.0532    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6755    0.3483   -0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8352    6.1255    0.3371 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2845    7.3886    0.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4010    7.7810    0.1953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5328    8.2954    1.5132 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8695    7.8818    2.8430 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2951    8.6872    3.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3867    9.9300    3.7143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6419    8.0836    5.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8487    7.0923    5.0930 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9858    6.2929    6.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1893    7.8034    4.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0141    8.2835    1.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6984    9.2625    2.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4833    8.7387    3.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0789    9.8040    4.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9072   11.2206    3.9079 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1247   11.6181    2.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121   10.6824    1.9434 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
M  END
$$$$
COVPDB258
  Mrv2015 05262116013D          

 37 39  0  0  1  0            999 V2000
   -3.4133    4.2018   -4.7536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6451    5.0657   -4.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2790    6.1604   -4.9449 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4001    6.9926   -4.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9780    6.1103   -3.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0668    5.0090   -2.9217 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1648    5.2437   -1.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7631    5.0659   -0.3259 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0412    3.8120   -0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6438    2.6264    0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9691    1.4276    0.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6229    0.4029    0.5895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6131    1.3389    0.1094 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1795    0.1469    0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673    0.4813   -0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0231    6.1604    0.2521 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4972    7.4224    0.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6285    7.7598    0.0817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7533    8.3886    1.3688 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1925    8.4651    1.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4938    9.3882    1.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2282    8.8839    3.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7938    9.7557    4.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6402   11.1457    3.9058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9318   11.6625    2.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3641   10.7910    1.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8779    7.8840    2.7087 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2588    8.5807    3.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6120    9.7828    3.7445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2171    7.9601    5.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6271    8.5835    6.1011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7010    6.7083    5.2204 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4912    5.9984    6.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3382    4.4847    6.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4163    3.7740    7.1604 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0766    2.3615    6.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0522    3.5442    6.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
$$$$
COVPDB259
  Mrv2015 05262115473D          

 25 27  0  0  0  0            999 V2000
   -5.5099    2.8750   -5.2610 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.6082    1.8836   -3.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4713    2.4837   -2.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5389    1.7018   -1.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7459    0.2948   -1.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7943   -0.4057   -0.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0361   -1.7025    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3968   -3.0736   -0.9930 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6863   -4.2080    0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1272   -5.8342    0.0327 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4908   -3.5644    1.4320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6330   -4.1812    2.6393 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9779   -3.6040    3.6339 S   0  0  1  0  0  0  0  0  0  0  0  0
   -8.3964   -4.7996    4.6202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4159   -2.4137    4.5539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4023   -3.0221    2.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6235   -2.7096    3.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6170   -2.1933    2.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2399   -2.0579    1.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5846   -2.6197    1.0600 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0915   -2.2463    1.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8105   -1.5622    2.3111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8841   -0.2822   -2.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8238    0.4903   -3.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0193   -0.2957   -5.4598 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
 11 21  1  0  0  0  0
  7 21  1  0  0  0  0
 21 22  2  0  0  0  0
  5 23  4  0  0  0  0
 23 24  4  0  0  0  0
  2 24  4  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$
COVPDB25
  Mrv2015 05262115553D          

 36 35  0  0  1  0            999 V2000
   -3.7776    1.9818    3.6342 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0366    2.0508    2.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6758    3.0345    1.8798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5817    0.9793    1.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0336    0.9442    1.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5437   -0.1662    0.2834 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2131   -0.0415   -0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8985    0.0587   -0.3128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8671   -1.4875    0.7414 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2783   -2.1826    1.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3326   -1.6899    2.4223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -3.5434    2.1091 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8268   -4.4953    0.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5093   -4.6103    0.0309 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7238   -5.4659   -1.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6846   -5.1693    0.8556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0012   -3.3321    2.7934 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8219   -4.2643    3.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6676   -5.4920    3.1540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8502   -3.8191    4.3333 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7939   -2.6836    3.8057 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5953   -3.1393    2.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7638   -2.1723    4.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0268   -3.4174    5.4400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9371   -4.0389    6.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8597   -4.7780    7.0673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6691   -3.9545    7.4181 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2323   -2.5016    7.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7014   -4.6700    6.6381 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5236   -5.1883    7.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0937   -5.0258    8.2295 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1264   -5.9597    6.1432 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3659   -6.6953    6.2074 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5661   -5.7102    6.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3644   -7.6957    7.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4318   -7.4655    4.8554 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
$$$$
COVPDB260
  Mrv2015 05262116023D          

 37 39  0  0  1  0            999 V2000
   -3.4393    4.2521   -4.7370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6406    5.1031   -4.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2609    6.1784   -4.9781 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590    7.0042   -4.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9499    6.1406   -3.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0459    5.0449   -2.9469 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1416    5.3023   -1.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7609    5.0708   -0.3628 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0368    3.8148   -0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6308    2.6502    0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9623    1.4504    0.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6145    0.4380    0.6745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6128    1.3541    0.1322 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1942    0.1753    0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6670    0.5408   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0294    6.1482    0.2473 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5318    7.3835    0.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6887    7.7067    0.1887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7756    8.3402    1.4075 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2338    8.4538    1.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4818    9.3782    1.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2943    8.8745    2.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9031    9.7443    3.9026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7107   11.1335    3.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   11.6509    2.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3134   10.7788    1.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8406    7.7924    2.7361 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3637    8.3829    3.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9325    9.4994    3.7802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2452    7.7597    5.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9221    8.2002    6.0746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3711    6.7262    5.2893 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0287    6.0893    6.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2855    4.5601    6.4388 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7177    4.0841    6.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1547    3.1592    7.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7406    3.7069    7.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
$$$$
COVPDB261
  Mrv2015 05262116023D          

 30 31  0  0  1  0            999 V2000
   -3.3644    4.2179   -4.6579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5925    5.0888   -4.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2328    6.1692   -4.8927 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3437    7.0100   -4.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9281    6.1634   -2.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0033    5.0516   -2.8512 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0964    5.2874   -1.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7173    5.0310   -0.2578 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0077    3.7681   -0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6233    2.5918    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9640    1.3840    0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6337    0.3542    0.5135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6071    1.2969    0.1108 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1783    0.1014    0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6684    0.4315   -0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9719    6.0744    0.3921 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4573    7.3036    0.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5936    7.6733    0.3582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7105    8.1995    1.6594 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9594    7.7221    2.9882 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5696    8.4011    3.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9961    9.5699    3.8432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7354    7.7401    5.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1731    8.2457    1.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5162    9.2455    2.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3185    8.8414    3.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9815    9.7976    4.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8481   11.1688    3.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0455   11.5846    2.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3801   10.6313    2.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
M  END
$$$$
COVPDB262
  Mrv2015 05262116023D          

 12 11  0  0  1  0            999 V2000
    3.0244   -0.2224    0.4162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7132   -0.6343    1.1247 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3007   -1.9698    0.6753 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6142    0.3296    0.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1028    0.9081    1.8843 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1634    0.5750   -0.3694 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9319    1.4379   -0.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0060    1.7708   -2.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2348    2.6589   -2.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3403    3.0408   -4.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5909    3.9056   -4.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7194    4.3753   -6.1741 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$
COVPDB263
  Mrv2015 05262115543D          

 22 23  0  0  1  0            999 V2000
    3.9799    2.5194   -0.1920 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    3.0133    0.7841 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1856    4.5221    1.0324 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4952    5.2178   -0.1761 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7662    4.8907    1.5426 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8897    3.7873    1.2213 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5929    2.8895    0.3507 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0423    1.4485    0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3399    1.4222    0.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0128   -0.0290    0.0428 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2559   -0.9684   -0.9865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.6690    1.4907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4222    0.0821   -0.3493 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7726    5.2115    2.9625 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5752    4.2288    3.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6010    4.5084    5.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4083    3.5580    6.1519 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8418    5.8357    5.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8780    6.1607    6.8756 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0391    6.7876    4.7251 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0114    6.4937    3.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    7.4520    2.6223 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
  5 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 18 19  2  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 14 21  4  0  0  0  0
 21 22  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  20
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB264
  Mrv2015 05262116033D          

 13 13  0  0  1  0            999 V2000
    0.7150   -0.8811    0.1469 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8014    0.4999   -0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150    0.8913   -1.2004 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0086    0.2304   -2.3672 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3864    2.4241   -1.5106 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0171    2.6471   -2.7750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1641    3.2211   -0.4220 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3631    3.3793    0.7493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5144    2.5451   -0.0571 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4553    2.7209   -1.1161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3270    1.0321    0.2305 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6158    0.3656   -0.8366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7058    0.8202    1.4966 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
$$$$
COVPDB265
  Mrv2015 05262116013D          

 26 27  0  0  1  0            999 V2000
   -3.6510    4.4111   -4.5644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7834    5.1911   -4.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3794    6.2795   -4.7680 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3602    6.9906   -4.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0038    6.1020   -2.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1223    5.0290   -2.8042 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1407    5.2194   -1.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6734    4.9017   -0.1695 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0115    3.6017   -0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6490    2.4420    0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0143    1.2126    0.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7006    0.1763    0.3891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6548    1.1212    0.0817 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1361   -0.0717    0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6194    0.3094   -0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8434    5.8802    0.4857 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1984    7.1611    0.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2698    7.6681    0.3928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3576    7.9720    1.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5298    9.0721    0.9872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0364   10.0721    1.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9751    9.6792    2.9278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4551   10.6030    3.8754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0124   11.9377    3.8434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1150   12.3550    2.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3687   11.4292    1.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
M  END
$$$$
COVPDB266
  Mrv2015 05262115563D          

 24 26  0  0  1  0            999 V2000
    2.6270    8.3066    5.7705 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2699    7.0135    5.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1338    6.3775    4.5427 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7940    5.0633    4.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015    4.2113    3.4947 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2903    3.0208    4.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2683    3.0888    5.4021 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5799    4.3569    5.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    5.0229    6.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5279    4.4276    8.0074 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0530    6.3418    6.9089 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7237    4.5031    2.0901 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8533    3.6462    1.3279 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6183    2.8860    0.3830 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0977    1.4268    0.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3009    1.4279   -0.0186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0304    0.0062   -0.0017 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3101   -0.9854   -1.0054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9588   -0.6124    1.4552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4334    0.1775   -0.3966 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1032    2.9856    0.8009 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9891    2.9502   -0.3202 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1710    4.3115    1.5708 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5644    5.3863    0.7160 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  2  0  0  0  0
  9 11  4  0  0  0  0
  2 11  4  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 12 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  11
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB267
  Mrv2015 05262115473D          

 25 27  0  0  0  0            999 V2000
   -1.4226    0.2159    1.7124 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0533    1.0882    0.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3534    2.0927   -0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6833    2.7751   -0.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0393    2.4742   -0.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0530    3.1893   -1.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1456    3.6946   -0.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500    3.6615    1.1453 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1343    4.3362    0.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2684    4.4295    2.2493 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2735    4.6880   -0.2991 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3928    5.2938   -0.7750 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4693    7.0361   -0.4922 S   0  0  1  0  0  0  0  0  0  0  0  0
    8.9538    7.3723    0.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2432    7.7623   -1.9045 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2555    7.5724    0.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9133    7.7504    0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409    8.1491    1.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3040    8.3624    2.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6406    8.1910    2.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6134    7.8034    2.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2198    4.3567   -1.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2476    4.6310   -2.3547 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3232    1.4207    0.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2874    0.7468    1.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 11 22  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  2  0  0  0  0
  5 24  4  0  0  0  0
 24 25  4  0  0  0  0
  2 25  4  0  0  0  0
M  END
$$$$
COVPDB268
  Mrv2015 05262116113D          

 19 21  0  0  1  0            999 V2000
    1.2125   -2.8121   -1.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8767   -2.0115   -2.3031 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5386   -1.8320   -2.3556 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5519   -0.6120   -2.3300 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4163    0.1913   -3.6636 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2456    2.0052   -3.7847 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8570    2.3250   -4.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2429    3.6373   -4.8813 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2308    3.7573   -6.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0329    5.2636   -6.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1737    5.6532   -5.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3708    4.6714   -4.3913 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5789    1.1895   -4.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8285    0.2521   -3.6526 N   0  0  1  0  0  0  0  0  0  0  0  0
    2.9932   -0.5601   -2.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9904   -0.9466   -1.9541 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9043    0.9681   -4.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7185    1.9301   -5.0861 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4097   -0.1720   -4.4893 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 12  1  0  0  0  0
  7 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
$$$$
COVPDB269
  Mrv2015 05262116023D          

 33 36  0  0  0  0            999 V2000
   -7.5525   -2.1985  -10.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6299   -1.3198   -9.5457 N   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2310   -1.8355   -9.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4080   -0.9777   -8.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5480    0.4460   -8.7016 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8505    0.9889   -9.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6534    0.1008  -10.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4885    1.2962   -8.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8198    1.2788   -7.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7477    2.1528   -6.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3180    3.0581   -7.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2259    3.8482   -7.7929 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104    3.3640   -7.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0359    4.2277   -7.3006 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2957    3.7871   -7.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5713    2.4053   -7.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1460    1.8677   -6.7061 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5013    1.5105   -7.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6726    0.1494   -7.1377 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3851   -0.5410   -8.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0380   -0.7732   -8.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7195   -1.4806   -9.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483   -2.0020  -10.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0893   -1.8175  -10.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4299   -1.0734   -9.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7159   -0.8785   -8.6622 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8848   -0.9338   -9.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9273   -1.0769  -10.6105 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1586   -0.7733   -8.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3460   -1.9929   -7.3826 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    2.0289   -7.4537 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0012    3.1054   -9.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0632    2.2174   -9.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 18 31  4  0  0  0  0
 13 31  4  0  0  0  0
 11 32  4  0  0  0  0
 32 33  4  0  0  0  0
  8 33  4  0  0  0  0
M  END
$$$$
COVPDB26
  Mrv2015 05262115553D          

 39 39  0  0  1  0            999 V2000
   -4.1629   -2.7205    2.5127 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2056   -1.3778    2.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7250   -0.7515    3.3974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6643   -0.6643    1.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1156   -0.7577    1.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5622   -0.1609   -0.1509 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1945   -0.0105   -0.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    0.1005   -0.1000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9886   -0.9026   -1.3045 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5758   -2.1497   -1.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7265   -2.7815   -1.0084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1225   -2.7810   -2.9081 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0681   -1.8468   -4.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6355   -1.3236   -4.5235 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6892   -0.3989   -5.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4074   -2.4651   -4.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3913   -3.3403   -2.5575 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1693   -4.1493   -3.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0124   -4.2275   -4.5748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1424   -5.0638   -2.6857 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1207   -4.3798   -1.6698 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0048   -3.2957   -2.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0241   -5.4127   -0.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2957   -6.0284   -2.0414 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2872   -7.3822   -2.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3483   -7.9653   -1.6057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2993   -8.1712   -2.9619 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3132   -9.6785   -2.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3129   -8.0219   -4.3891 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3244   -7.6333   -5.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6496   -7.5505   -6.4382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0456   -7.3443   -4.8464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0279   -6.8100   -5.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7252   -6.6798   -5.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862   -6.9637   -5.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7182   -6.8849   -5.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7555   -6.4916   -3.6661 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5635   -6.1648   -2.9971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6675   -6.2621   -3.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 34 39  4  0  0  0  0
M  END
$$$$
COVPDB270
  Mrv2015 05262116023D          

 25 27  0  0  0  0            999 V2000
    4.7230   -4.6990    1.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7013   -3.5343    1.2394 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1527   -2.4484    2.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4721   -2.9946   -0.0820 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3071   -2.1769   -0.6593 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8479   -1.8363   -1.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6466   -2.4902   -2.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254   -3.2394   -0.9143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3751   -4.1648   -0.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7902   -5.4418   -0.5164 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9509   -6.4854   -0.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -6.2679   -0.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9112   -4.9636   -0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0204   -3.8781   -0.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5740   -2.5106   -0.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828   -1.7748    0.2738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8933   -0.4665    0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2788   -0.1904    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7433    1.1227   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8259    2.1682   -0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4429    1.9156   -0.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3689    2.9922   -0.2887 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0468    0.5959    0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4350    0.3163    0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    1.1250   -0.1635 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 21 23  4  0  0  0  0
 17 23  4  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
$$$$
COVPDB271
  Mrv2015 05262116023D          

 39 41  0  0  1  0            999 V2000
   -2.5749   -4.5769   -5.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2691   -4.1893   -5.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8261   -4.8319   -6.6021 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9149   -5.4520   -7.0542 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9394   -5.3174   -6.2737 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5787   -4.8788   -7.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6575   -5.3331   -6.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2605   -6.5864   -6.4161 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0634   -7.8110   -5.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8391   -8.6971   -6.2676 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0209   -8.1288   -4.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9624   -9.5967   -4.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4738  -10.1535   -4.0055 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4476  -11.6342   -4.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1298  -12.3040   -4.8236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0385   -9.8397   -2.7208 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0510   -8.9892   -2.3521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4799   -9.1991   -1.1941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6297   -7.8241   -3.0851 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1659   -8.0825   -4.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9403   -9.4214   -4.7831 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9858   -9.7687   -6.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3660   -9.4029   -4.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5446   -6.8933   -3.0405 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5129   -5.5701   -2.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417   -5.1492   -2.5756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6600   -4.6074   -2.6322 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3829   -4.3278   -4.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2076   -3.3375   -2.1226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9200   -3.0379   -0.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1133   -3.8464    0.1093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3593   -1.8172   -0.6101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8938   -1.2696    0.6265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1975   -0.0023    0.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9419    1.1573   -0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2882    2.3454   -0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1165    2.3851   -0.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8694    1.2441   -0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2160    0.0583    0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
  1 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 34 39  4  0  0  0  0
M  END
$$$$
COVPDB272
  Mrv2015 05262116083D          

 40 42  0  0  1  0            999 V2000
    1.1785    0.2053   -0.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0532    1.2900   -0.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5619    2.6068   -0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1943    2.8381   -0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6823    1.7536    0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2002    0.4247   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1040   -0.7292    0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0744   -1.5862   -0.9746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7055   -2.7914   -1.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3520   -3.2213   -0.0710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6085   -3.5186   -2.2092 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2209   -4.8093   -2.3873 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4760   -5.1464   -3.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3700   -5.5811   -4.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1820   -6.2292   -4.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3845   -6.5691   -5.6528 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4057   -5.5154   -6.1219 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3554   -6.1030   -6.6105 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5446   -5.8736   -1.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4301   -5.6500   -1.0671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1669   -7.0702   -1.4275 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7115   -8.1556   -0.6017 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6485   -8.2227    0.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448   -8.5339    2.0234 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9753   -9.0266    3.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1554   -7.3146    2.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6856   -9.4302   -1.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1011   -9.4783   -2.5596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2170  -10.5554   -0.7717 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2058  -11.8837   -1.3115 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1673  -12.8153   -0.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172  -13.5967    0.0749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379  -12.1500   -2.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3780  -11.6787   -1.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8346  -10.4647   -2.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7729   -9.3574   -1.9719 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2864  -10.5744   -3.8444 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6421   -9.4740   -4.6858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3676   -8.8002   -5.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5741   -7.3561   -5.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 14 17  4  0  0  0  0
 17 18  4  0  0  0  0
 16 18  4  0  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 16 40  1  0  0  0  0
M  END
$$$$
COVPDB273
  Mrv2015 05262116023D          

 46 49  0  0  1  0            999 V2000
   -2.9456   -4.0865   -4.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8985   -4.9137   -5.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220   -4.2034   -6.1583 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6588   -3.0297   -6.2956 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7416   -2.9281   -5.5903 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1022   -4.5668   -6.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5963   -6.0373   -6.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1831   -7.0845   -7.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3774   -8.5449   -7.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7398   -9.5636   -6.8075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0390  -10.8745   -6.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9294  -11.7022   -5.2895 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5223  -12.5995   -4.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6963  -12.8083   -4.1342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5109  -13.3400   -3.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4838  -12.4607   -2.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8770  -11.3049   -1.8221 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7874  -11.7805   -0.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0244  -12.6177   -0.0389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4056  -10.2398   -2.6585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8778   -8.9688   -2.8444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801   -8.3277   -3.6637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0194   -8.2680   -2.1687 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4344   -8.9361   -2.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9178   -9.4501   -3.6879 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9702   -8.3655   -4.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4680   -8.9545   -6.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8345   -9.6771   -6.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8200  -10.7392   -4.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3153  -10.1422   -3.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0962   -6.8860   -2.6014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6762   -5.8480   -1.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1839   -6.0457   -0.7998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7329   -4.4653   -2.4873 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0736   -4.3659   -4.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5540   -3.7214   -2.1371 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2972   -3.1528   -0.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0723   -3.2708    0.0475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1580   -2.4114   -0.8513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6788   -1.6623    0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079   -0.5956   -0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1890    0.7634   -0.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6398    1.7599   -0.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8817    1.4150   -1.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2947    0.0706   -1.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4644   -0.9283   -0.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 30  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
  1 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 41 46  4  0  0  0  0
M  END
$$$$
COVPDB274
  Mrv2015 05262116023D          

 17 18  0  0  0  0            999 V2000
    5.0619    6.0819   -2.8985 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6817    6.2811   -1.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4124    6.6907   -1.4778 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9657    6.8929   -0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7791    7.2854   -0.1245 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8052    6.6773    0.9192 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4268    6.8100    2.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1905    7.1209    2.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9989    7.9343    3.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7524    8.2226    4.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5105    8.9220    5.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8629    8.9706    5.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4267    8.3016    4.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4413    7.8550    3.7316 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1306    6.2887    0.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0154    6.0964    1.4699 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5337    6.0906   -0.6857 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
  6 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  2 17  1  0  0  0  0
M  END
$$$$
COVPDB275
  Mrv2015 05262116023D          

 17 18  0  0  0  0            999 V2000
    8.1918    6.4523    1.7254 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5086    5.4825    1.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1543    5.5665    1.3194 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3841    4.5314    0.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1510    4.7359    0.9494 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9637    3.3328    0.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2700    2.2734   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9245    2.1651   -0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2572    1.0435    0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8937    0.8688   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159   -0.3606   -0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1805   -0.3001   -0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6976    0.9848   -0.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6587    2.0947   -0.3199 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3779    3.2846    0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0506    2.2886    0.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1116    4.3409    0.9140 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
  6 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  2 17  1  0  0  0  0
M  END
$$$$
COVPDB276
  Mrv2015 05262116023D          

 23 23  0  0  0  0            999 V2000
    3.1840    6.9127    0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229    5.5533    0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8520    4.6521   -0.7466 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3986    3.3823   -0.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6543    2.9104    0.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1881    1.4929    0.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2295    1.4975    0.1183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9499    0.0711    0.1402 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2854   -0.8923   -0.9275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7924   -0.5800    1.5750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3741    0.2393   -0.1701 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897    3.8169    1.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6686    3.3803    2.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9360    3.7128    3.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2019    3.2790    4.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4756    2.2239    4.9170 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1796    4.0648    6.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6742    5.3538    6.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6252    6.2359    7.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5326    6.8481    7.5960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6456    6.4545    7.9447 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8610    5.1604    1.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5876    6.1185    2.2945 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  5 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 12 22  4  0  0  0  0
  2 22  4  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$
COVPDB277
  Mrv2015 05262115553D          

 26 25  0  0  0  0            999 V2000
   -0.7908    7.5291  -10.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2990    7.1258   -9.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285    6.4306  -10.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5436    6.0345   -9.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8279    6.2255   -8.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5708    5.1320   -7.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0192    3.9429   -7.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7264    2.9041   -6.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2074    3.3520   -5.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4619    3.8882   -4.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    4.1200   -4.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294    4.1093   -3.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1555    5.2190   -2.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6525    5.1785   -0.9536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5189    4.4184   -0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8092    4.7390    0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6731    3.9939    0.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9454    4.3685    1.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8857    3.6225    1.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5678    2.5387    2.3874 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2936    4.0839    1.9759 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0580    4.1301    0.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5259    4.6131    0.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2277    4.6638   -0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2890    3.8610   -0.7762 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8578    5.4557   -1.4272 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
$$$$
COVPDB278
  Mrv2015 05262115453D          

 37 38  0  0  0  0            999 V2000
   -8.4988   -9.3724   -2.8449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3861   -9.9593   -2.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5123  -10.8013   -1.4362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0081   -9.6207   -2.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2087   -8.7465   -1.8852 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9658   -8.3418   -2.4704 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6594   -7.1346   -3.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5212   -6.2320   -3.1432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2560   -6.9273   -3.4751 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0261   -5.7494   -4.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5703   -5.7209   -5.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2161   -4.4407   -5.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2351   -4.4941   -6.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6370   -3.2063   -6.9766 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3516   -3.1691   -7.4069 S   0  0  1  0  0  0  0  0  0  0  0  0
    3.6829   -4.4297   -8.3420 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225   -1.8240   -8.2367 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3342   -3.1777   -5.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8833   -2.4812   -4.7916 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6010   -2.5109   -3.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0838   -1.8161   -2.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0594   -0.9344   -2.5496 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5333   -1.9792   -1.2818 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8150   -3.2513   -3.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5925   -3.3464   -2.4201 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2786   -3.9307   -4.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5478   -3.8880   -5.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4075   -6.8462   -2.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5906   -7.9397   -1.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688   -7.9012   -0.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1374   -6.7596    0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6488   -5.6551   -0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4240   -5.7030   -1.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9044   -9.4270   -0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3313   -8.8993    0.4621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1566  -10.7068   -0.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3952  -11.0094    1.0394 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 20 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 18 27  1  0  0  0  0
  9 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 28 33  1  0  0  0  0
  5 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
$$$$
COVPDB279
  Mrv2015 05262116023D          

 23 25  0  0  1  0            999 V2000
    1.7328   -0.2475    0.4012 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8951    0.8968    0.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1233    1.1927    1.5806 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6670    0.0260    1.9190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5337    0.1758    3.0673 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6964    0.5410    4.3246 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5532    0.7755    5.4414 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2147    1.7701    4.0652 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0815    1.9762    5.1798 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0526    1.5738    2.7726 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7854    2.7644    2.4878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5587    1.1709    2.8341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7931    0.7782    2.1734 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5510    0.3764    0.6557 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4603   -1.1628    0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1671   -1.4649   -0.9285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8343    1.9553    2.4500 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9128    1.4702    3.2520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4593    2.7056    1.2138 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5177    4.1106    1.4589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5743    2.4741   -0.0304 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7616    1.8511   -1.3062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7019    0.9419   -0.2117 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 14 23  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$
COVPDB27
  Mrv2015 05262115553D          

 37 37  0  0  1  0            999 V2000
   -3.9936   -2.7400    2.9018 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1821   -1.4454    2.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7640   -0.7033    3.4132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7075   -0.9115    1.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1563   -0.8692    1.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6343   -0.3084   -0.1354 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2911   -0.0199   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8306    0.2218   -0.0656 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9678   -1.1453   -1.2534 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4316   -2.3618   -1.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5622   -2.9035   -0.8533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8653   -3.0518   -2.8213 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8171   -2.1212   -4.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4374   -1.4313   -4.3507 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5438   -0.4240   -5.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7122   -2.4461   -4.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1470   -3.6178   -2.5377 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8525   -4.4723   -3.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5075   -4.7119   -4.5144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9834   -5.2405   -2.7573 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9889   -4.4034   -1.8899 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5198   -3.1460   -2.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1943   -5.2732   -1.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2797   -6.2217   -1.9861 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3569   -7.5797   -2.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2906   -8.1447   -2.6878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2715   -8.3690   -1.4215 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7845   -9.5334   -2.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5716   -8.8778   -0.1162 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0937   -8.1750    0.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5890   -7.0345    0.7688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0573   -8.6847    2.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3310   -9.7677    2.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5986   -9.8204    4.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0634  -10.7804    5.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4510   -8.8139    4.3767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7146   -8.1486    3.2843 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  1  0  0  0  0
 34 36  4  0  0  0  0
 36 37  4  0  0  0  0
 32 37  4  0  0  0  0
M  END
$$$$
COVPDB280
  Mrv2015 05262116033D          

 14 13  0  0  1  0            999 V2000
    2.8824    2.9442    0.7993 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5173    2.8937    0.3790 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0458    1.4220    0.5151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3816    1.3260    0.3484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9790   -0.1561    0.3290 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3118   -0.9892   -0.8432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6589   -0.8776    1.7032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4296   -0.0886    0.1242 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4063    3.5153   -1.0514 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1692    2.7374   -1.9777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0417    3.6894   -1.6013 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8535    4.4277   -0.6905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0673    4.4083   -2.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5153    3.8666   -3.9281 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
$$$$
COVPDB281
  Mrv2015 05262116023D          

 38 42  0  0  1  0            999 V2000
    1.6473   -0.1963   -0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2249   -0.0986   -0.1853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1415    0.5304    0.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3011    1.9240    1.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7055    2.5571    2.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9698    1.8214    3.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8561    0.4009    3.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -0.5028    4.7915 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4237   -0.2167    2.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4416    2.7627    4.8237 S   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9329    4.2806    4.6973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7734    2.1591    6.1523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2744    2.7885    5.0396 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0097    3.5248    3.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3965    4.8805    4.5222 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3464    5.6430    3.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9618    6.7433    3.1942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6116    5.1961    3.4141 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6091    5.9793    2.7510 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.1281    7.0606    3.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5366    7.9707    3.9908 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4444    6.1274    1.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5631    5.2454    1.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7656    4.4628    5.8641 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7369    3.5542    6.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9064    4.8793    6.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4179    5.9590    6.1798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5975    4.2551    7.7648 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5581    2.7050    7.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6872    2.7866    9.0870 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7123    4.2569    9.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0035    4.7771    7.9663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2807    5.9881    8.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6062    6.4517    8.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6584    5.7202    8.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2566    6.2688    8.2722 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -10.3515    4.5269    7.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0596    4.1141    7.4094 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  3  9  4  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  3  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 13 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  1  0  0  0  0
 35 37  4  0  0  0  0
 37 38  4  0  0  0  0
 32 38  4  0  0  0  0
M  END
$$$$
COVPDB282
  Mrv2015 05262116023D          

 30 33  0  0  0  0            999 V2000
   12.0150   -6.6316    8.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5338   -6.7932    8.3994 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0223   -8.2273    8.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3034   -7.2971    6.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5443   -5.8740    9.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0640   -4.7716    8.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1659   -3.8306    8.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6802   -2.7717    8.1311 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3472   -2.8014    6.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9663   -1.4961    6.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1129   -0.4770    6.8519 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4752   -1.3665    4.8291 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1762   -2.5435    4.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1038   -2.3134    2.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2906   -1.0954    2.2205 N   0  0  1  0  0  0  0  0  0  0  0  0
    5.9871    0.0908    2.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0891   -0.0507    4.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9207   -0.9429    0.7797 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8134    0.1030    0.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0051   -0.9728    0.0523 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9469   -2.0158    0.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7078   -1.0246   -0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2318   -2.1541   -0.6504 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9273    0.1175   -0.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3801    0.1260   -0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7704   -3.9872   10.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9166   -3.1149   10.7933 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2411   -5.0774   10.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1135   -6.0261   10.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6183   -7.3140   11.3639 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
  7 26  4  0  0  0  0
 26 27  1  0  0  0  0
 26 28  4  0  0  0  0
 28 29  4  0  0  0  0
  5 29  4  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$
COVPDB283
  Mrv2015 05262116023D          

 21 22  0  0  1  0            999 V2000
   -3.1691   -7.2960   -6.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6440   -6.6431   -5.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4087   -6.4605   -4.1952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3481   -6.2404   -5.1292 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8538   -5.6281   -4.0909 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7361   -4.2797   -3.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9365   -3.5573   -5.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3611   -3.7066   -2.6781 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4379   -4.0046   -1.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3720   -2.7910   -1.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7508   -1.3682   -1.4415 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2715   -1.3830   -2.9084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2007   -2.2765   -2.5932 N   0  0  1  0  0  0  0  0  0  0  0  0
    0.4851   -1.7489   -1.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6694   -1.9695   -1.2167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4740   -1.1610   -0.8055 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2890   -0.6245    0.3792 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2153    1.0132    0.2647 S   0  0  2  0  0  0  0  0  0  0  0  0
    0.5106    1.4460   -1.3602 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5737    1.1873    1.0945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9222    1.9715    0.8572 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
$$$$
COVPDB284
  Mrv2015 05262116023D          

 23 25  0  0  1  0            999 V2000
   -9.1642    1.5496   -4.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3255    0.2598   -3.4261 S   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2240    0.8504   -2.4268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6438   -0.6513   -4.5520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4058   -0.7343   -2.5417 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5923   -0.1861   -2.4477 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0687    0.5458   -1.3078 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.2135    1.3289   -1.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6760    0.1580   -2.6587 N   0  0  2  0  0  0  0  0  0  0  0  0
  -13.6587   -0.7233   -2.0664 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.8878   -1.3130   -0.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7155   -0.4133   -0.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9906   -0.1592   -1.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2119    1.0736   -1.6644 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0107   -1.0139   -1.4432 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1751   -0.6094   -0.9903 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3940   -1.1041    0.3443 C   0  0  1  0  0  0  0  0  0  0  0  0
  -16.4044   -0.6492    1.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2279   -0.7859    2.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6565   -0.7704    2.3572 N   0  0  0  0  0  0  0  0  0  0  0  0
  -18.7244   -0.5769    0.9003 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6182   -0.3787   -3.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6183   -1.1253   -4.3151 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 21  1  0  0  0  0
  9 22  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
$$$$
COVPDB285
  Mrv2015 05262115473D          

 27 29  0  0  0  0            999 V2000
   -3.3435   -0.1357    2.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4384    0.9801    2.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1429    0.8418    2.8636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0701    0.8922    2.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0297    1.1930    0.3351 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6936    1.1517    0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5288    1.5562   -1.2541 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1866    0.8278    1.3715 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5145    0.6548    1.5965 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1057   -0.9827    1.2959 S   0  0  1  0  0  0  0  0  0  0  0  0
    5.5138   -0.8603    0.5364 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3681   -1.6699    2.7222 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9796   -1.9636    0.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0442   -2.8017    0.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809   -3.6143    0.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2420   -3.5892   -1.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583   -2.7399   -1.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0252   -1.9302   -1.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2622    0.7124    2.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6175    0.4487    3.5654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8357    2.1115    1.8228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0878    2.3615    1.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2618    2.4463    2.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5097    2.6989    1.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5967    2.8749    0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4351    2.8079   -0.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1889    2.5554   -0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
  8 19  1  0  0  0  0
  4 19  1  0  0  0  0
 19 20  2  0  0  0  0
  2 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
M  END
$$$$
COVPDB286
  Mrv2015 05262116023D          

 24 26  0  0  1  0            999 V2000
   -0.8168   -1.3194   -2.5244 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2147   -0.2663   -1.6619 S   0  0  2  0  0  0  0  0  0  0  0  0
    1.6786   -0.9076   -1.5828 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3763   -0.0516   -0.1898 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3258    1.2610   -2.4329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3863    1.2803   -3.5294 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7329    1.7752   -3.6280 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1710    0.9817   -4.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9650    1.3118   -5.5640 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8920    2.4840   -6.4012 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0353    3.6652   -5.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7846    3.3112   -3.9932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8438    2.5272   -7.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5232    1.5200   -7.8581 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9362    3.6617   -8.2884 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7419    3.8167   -9.3025 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3657    3.7052  -10.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1911    3.3858  -10.9065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3670    4.0368  -11.6476 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5645    3.0799  -11.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2799    2.8692  -13.2043 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0707    3.7088  -13.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0748    0.9879   -4.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2589    0.7427   -5.0907 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 22  1  0  0  0  0
  9 23  1  0  0  0  0
  6 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
$$$$
COVPDB287
  Mrv2015 05262115423D          

 27 29  0  0  1  0            999 V2000
    3.1044    0.3826   -1.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432    1.2422   -0.2147 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8666    0.5312    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5694    1.6734    0.8626 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4566    2.6463    0.3604 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3173    2.3553    1.3464 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8439    3.1195    0.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0839    4.3857    0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    4.0840    0.3337 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2877    5.0789    0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9271    6.2663    0.2773 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5990    4.8698    0.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4011    5.8148    1.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7231    5.5226    1.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227    4.7829    1.0029 N   0  0  2  0  0  0  0  0  0  0  0  0
    7.8486    4.2408    1.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6370    3.3002    0.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9662    3.9920   -0.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7004    4.6115   -1.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9516    5.5276   -0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4135    0.9556    1.5177 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7028    0.5712    1.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1242   -0.5764    1.6266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8575   -0.0495    2.0801 S   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0235    0.1564    3.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2326    0.3575    1.3653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5329   -1.5854    1.7507 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 22  1  0  0  0  0
 22 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
$$$$
COVPDB288
  Mrv2015 05262116063D          

 34 37  0  0  1  0            999 V2000
   -1.1463    5.9850    2.5481 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2170    6.6625    1.3576 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0364    5.7801    0.3230 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2142    7.5961    1.3221 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8300    7.4996    1.2008 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0033    6.1929    1.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4487    5.5946    0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3443    4.5013    0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8138    4.0375    1.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3967    4.6592    2.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4859    5.7292    2.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7771    3.8909   -1.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6903    2.5754   -1.3899 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3770    4.5340   -2.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6525    3.5342   -3.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1964    2.3705   -2.5714 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2554    3.6066   -4.2935 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3981    2.4713   -5.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8972    1.2426   -4.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2578    1.2087   -3.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6416    0.0883   -2.8128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000   -0.5839   -3.5423 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0282   -1.8396   -2.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4715   -1.7303   -2.8618 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1877   -0.6223   -3.9110 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1584   -1.1602   -5.2355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3754    0.3415   -3.7522 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5219    1.2120   -4.8722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8605   -1.4267   -1.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4411   -1.2184   -1.5608 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2522   -0.7289   -0.0651 S   0  0  2  0  0  0  0  0  0  0  0  0
    0.0301   -1.8755    1.0301 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3922    0.6570    0.4131 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9738   -0.4876   -0.2911 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  8 12  1  0  0  0  0
 12 13  4  0  0  0  0
 12 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 13 16  4  0  0  0  0
 15 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  2  0  0  0  0
 31 34  1  0  0  0  0
M  END
$$$$
COVPDB289
  Mrv2015 05262115533D          

 33 33  0  0  1  0            999 V2000
   -2.1822    0.5485    1.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0728    0.7444    0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9238    1.8755   -0.4062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2329   -0.2865   -0.1686 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8790   -0.2167   -1.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6575   -1.4605   -0.9251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3389   -2.4450   -1.6343 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6472   -1.5481    0.0147 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3393   -2.7523    0.3862 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4973   -2.4335    1.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4612   -1.5959    0.7317 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3498   -3.6999    0.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1169   -4.7636    0.3378 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6378   -3.3219    2.0558 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3420   -3.7953    2.4456 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1942   -5.3282    2.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2758   -5.8270    2.9421 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2958   -7.2975    3.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1736   -5.6842    1.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0615   -2.9602    3.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0191   -2.1594    3.4864 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6717   -2.9755    4.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310   -3.2005    5.9886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2703   -4.2467    6.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4826   -5.2398    6.7366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2009   -4.2091    7.9325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5990   -4.1814    7.6517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1361   -4.2043    6.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5170   -4.1468    8.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0716   -4.1300   10.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6988   -4.1554   10.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -4.1826    9.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6982   -4.1552    9.6517 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  1  0  0  0  0
 27 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 26 32  4  0  0  0  0
 32 33  1  0  0  0  0
M  END
$$$$
COVPDB28
  Mrv2015 05262115553D          

 29 28  0  0  1  0            999 V2000
   -2.8075    4.9354   -2.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8189    3.3777   -2.1669 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2748    2.8592   -2.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8485    2.8480   -3.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7200    1.3173   -3.5942 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8509    0.6268   -4.1572 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4571    0.9024   -5.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2422    1.9789   -5.9582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3010   -0.1223   -6.0292 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3669   -1.1282   -6.4552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2127   -1.6188   -7.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0029   -1.2978   -8.6403 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0936   -2.5403   -8.0342 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0508   -3.7802   -7.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8196   -1.8107   -7.9515 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4474   -0.7403   -5.1549 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4486    0.3337   -4.6422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2468   -1.8296   -5.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1762    0.4931   -2.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1970   -0.2549   -2.7193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7293    0.5245   -1.2351 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3424   -0.2276   -0.0746 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8938   -1.6841   -0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4431   -1.7465   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9686   -3.1198   -0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8426   -3.7949   -1.3105 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5532   -3.6820    0.8003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0098   -0.1829    0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1392   -0.1492    0.3857 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 22 28  1  0  0  0  0
 28 29  3  0  0  0  0
M  END
$$$$
COVPDB290
  Mrv2015 05262115463D          

 38 40  0  0  1  0            999 V2000
    0.8050    6.7278   14.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4820    7.0934   13.0299 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0021    7.5102   12.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7859    5.9586   12.2120 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0566    5.9251   10.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1181    7.0633   10.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3988    6.9314    8.7300 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6245    5.7292    8.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9439    5.7950    6.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0317    6.3414    5.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3317    6.3543    4.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5395    5.8009    3.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8208    5.7747    2.3147 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4746    5.2833    4.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9491    4.6007    4.4288 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1852    5.3154    6.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5415    4.5684    8.8967 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6825    3.2516    8.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5610    2.9500    7.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5891    2.8199    7.8536 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8018    2.7815    6.0456 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1300    2.2785    5.0813 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2130    2.8687    3.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5366    2.2128    2.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2422    2.9329    1.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8313    2.2281    0.0510 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6431    2.5043   -1.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0909    1.6546   -2.1324 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0403    3.5557   -1.6445 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1076    0.7883    5.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1910    0.1837    5.3188 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0735    0.0239    5.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3239    0.4909    4.7840 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3259   -0.4261    4.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9494   -1.7588    4.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184   -1.7224    5.1592 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2845    4.6756   10.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234    3.6573   10.9813 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 12 14  4  0  0  0  0
 14 15  1  0  0  0  0
 14 16  4  0  0  0  0
  9 16  4  0  0  0  0
  8 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 22 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 32 36  4  0  0  0  0
 17 37  4  0  0  0  0
  5 37  4  0  0  0  0
 37 38  2  0  0  0  0
M  END
$$$$
COVPDB291
  Mrv2015 05262115463D          

 34 36  0  0  1  0            999 V2000
   -1.8003    3.5118   11.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5108    2.6915   10.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5835    2.1800    9.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3395    1.4100    8.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0197    1.1507    8.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0715    1.6467    9.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1858    2.4072   10.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3953    1.3784    8.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7824    0.0841    8.8940 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9949   -0.3587    8.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9005    0.5358    7.9189 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1039    0.0924    7.4997 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4989    1.8809    7.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3163    2.6563    7.2238 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2496    2.3063    8.1867 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138    3.6805    7.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8503    3.6581    6.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3469    3.9859    6.9941 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3001    3.1395    5.6398 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5091    2.5041    4.6357 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5284    3.2730    3.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2609    2.4921    2.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2993    3.1975    0.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7232    2.2665   -0.1884 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7882    2.4957   -1.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0431    1.4837   -2.2977 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6101    3.6490   -2.0197 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0162    1.0994    4.5813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2286    0.1726    4.8802 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3379    0.7407    4.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3488    1.5728    3.8969 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5529    1.0062    3.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -0.3845    3.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0049   -0.8857    4.1955 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 11 13  4  0  0  0  0
 13 14  2  0  0  0  0
 13 15  4  0  0  0  0
  8 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 20 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 30 34  4  0  0  0  0
M  END
$$$$
COVPDB292
  Mrv2015 05262115463D          

 36 38  0  0  1  0            999 V2000
    1.4548   -0.1588    1.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2127   -0.1023    0.3042 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449    1.6199    0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7387    2.2285    1.3447 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0064    3.5448    1.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1410    4.3347    0.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4454    5.6674    0.3286 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2214    6.5748    1.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7338    7.9329    1.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6016    8.6248    1.9751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0953    9.9013    1.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7275   10.5038    0.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8496    9.8411   -0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3449    8.5731   -0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9394    3.6823   -0.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0373    4.3748   -1.9919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5988    2.3453   -1.0197 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2072    1.7729   -2.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966    1.5178   -3.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0619    0.5427   -3.0833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3322    2.2538   -4.4175 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8371    1.8239   -5.6883 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4556    3.0059   -6.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9378    2.6203   -7.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6453    3.7768   -8.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7073    3.4801  -10.0847 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8670    4.3523  -11.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1007    5.6367  -10.9089 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7826    3.9262  -12.2787 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6657    1.1291   -6.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7023   -0.0384   -6.9187 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5996    1.7630   -6.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9282    2.9938   -6.0419 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2192    3.3935   -6.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0720    2.4847   -6.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0752    1.0978   -7.1954 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  6 15  4  0  0  0  0
 15 16  2  0  0  0  0
 15 17  4  0  0  0  0
  3 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 22 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 32 36  4  0  0  0  0
M  END
$$$$
COVPDB293
  Mrv2015 05262116033D          

 35 38  0  0  1  0            999 V2000
   -1.2300    9.6221    0.5830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1026    8.8351    1.4362 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.9441    8.8529    2.3856 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0975    7.9651    1.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8496    8.0558    2.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9465    7.1813    2.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1149    6.1995    1.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    6.1174    0.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0609    6.9703    0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8788    6.7634   -0.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0266    7.2630   -0.6453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5995    5.9737   -1.7077 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4169    5.0197    1.6673 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5486    3.5578    2.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4029    2.4010    2.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0735    1.1482    1.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6799   -0.4050    2.7131 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4091    2.4681    3.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7185    3.6172    4.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8742    4.0947    4.2543 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8136    4.2193    5.1097 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1398    1.3764    3.8990 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346    0.1438    3.2225 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7846    0.9757    5.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0319    1.5289    6.0995 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9945   -0.3913    4.5330 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2459   -1.3316    5.3085 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6141   -1.7809    6.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7088   -1.4439    7.0540 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130   -2.6670    7.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5686   -3.9609    6.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5557   -4.3351    5.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6819   -5.6251    5.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7985   -6.3480    5.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6757   -5.3205    6.7266 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 17 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 31 35  4  0  0  0  0
M  CHG  4   2   1   3  -1  12  -1  21  -1
M  END
$$$$
COVPDB294
  Mrv2015 05262116003D          

 30 31  0  0  0  0            999 V2000
    0.9870   -2.2622    0.0149 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1680   -1.5353    0.1772 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2179   -2.3027   -0.2619 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3778   -1.3758    1.5241 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0834   -0.1587   -0.5592 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2751   -0.2578   -2.1036 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5939   -1.1637   -2.6683 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5553   -0.6256   -2.4390 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0556    0.9635   -2.6968 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1842    0.5008   -0.3721 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400    0.9268    0.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3346    0.6832    1.8743 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0382    1.6094    0.6399 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7743    1.9771    1.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2971    2.1773    1.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5971    3.0399    0.3860 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9776    2.3280   -0.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4584    2.0929   -0.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167    3.2924    0.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6819    3.9969    1.3514 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4338    4.1838    1.2792 S   0  0  2  0  0  0  0  0  0  0  0  0
    9.8868    4.9524    2.6130 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7899    5.0957    0.0079 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2351    2.6040    1.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6934    1.4967    1.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3261    0.2405    1.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5108    0.0804    1.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2768   -1.4288    1.0263 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0579    1.1820    0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4220    2.4377    0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  1  0  0  0  0
 27 29  4  0  0  0  0
 29 30  4  0  0  0  0
 24 30  4  0  0  0  0
M  END
$$$$
COVPDB295
  Mrv2015 05262115553D          

 27 26  0  0  0  0            999 V2000
   -2.9156    3.5921   -5.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9394    3.6454   -4.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5323    3.4864   -4.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5015    3.4371   -3.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4353    3.4828   -2.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    2.5352   -1.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1478    1.2140   -1.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180    0.4507   -2.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1479    0.3400   -3.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7108   -0.2483   -4.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9291   -0.9704   -4.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1597   -2.1374   -4.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5280   -3.3253   -4.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5005   -3.7249   -3.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7265   -2.9455   -3.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4258   -2.7619   -5.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5356   -1.9787   -5.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0573   -1.5637   -6.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1932   -0.7743   -6.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5604   -0.0364   -5.4942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0103   -0.7955   -7.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6748   -2.1837   -7.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5419   -2.2270   -9.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1925   -3.6151   -9.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0317   -3.6052  -10.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3690   -3.7690  -10.5237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5237   -3.4364  -11.7633 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
$$$$
COVPDB296
  Mrv2015 05262116043D          

 12 13  0  0  1  0            999 V2000
   -0.2755   -1.4234    0.0106 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2058   -0.0826    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2302    0.6740    1.2892 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3413   -0.0252    2.5579 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4496    0.6440    3.7240 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1974   -0.7989    3.6733 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3503    2.1391    1.3439 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2215    2.9408    0.3100 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1683    2.8596    2.7325 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0616    3.9685    2.8147 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3857    1.9270    3.9740 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1069    2.5604    5.1524 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$
COVPDB297
  Mrv2015 05262116033D          

 23 24  0  0  1  0            999 V2000
   -9.9998    0.5095    7.5193 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7407    1.7243    7.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5246    2.4646    6.0725 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.9769    1.5276    4.9033 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.2211    1.8585    4.0708 C   0  0  1  0  0  0  0  0  0  0  0  0
  -13.0298    3.1587    4.3827 C   0  0  2  0  0  0  0  0  0  0  0  0
  -13.0541    4.0470    3.2671 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6728    3.9139    5.7006 C   0  0  1  0  0  0  0  0  0  0  0  0
  -13.4373    3.3904    6.7875 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1730    3.8908    6.1034 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.4313    4.8353    5.3383 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8648    1.7812    3.4436 N   0  0  1  0  0  0  0  0  0  0  0  0
  -10.2534    2.9919    2.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7093    3.0890    2.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9186    2.0665    2.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3846    2.2288    2.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5454    1.3080    1.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0190    1.5120    1.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1714    0.6021    0.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.8023    0.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9422   -0.0381   -0.0391 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2202   -0.0810   -0.0823 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3801   -0.1269   -0.1283 N   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  2  0  0  0  0
M  CHG  2  22   1  23  -1
M  END
$$$$
COVPDB298
  Mrv2015 05262115423D          

 33 35  0  0  1  0            999 V2000
   -1.2271   -4.3616   -1.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8944   -3.4648   -2.8568 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8821   -3.1931   -4.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1470   -4.1931   -3.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2693   -2.1663   -2.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4051   -1.1500   -2.0502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1194   -0.1406   -1.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3816   -0.5615   -1.3309 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4710   -1.7816   -1.7591 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6018    1.1474   -1.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3492    1.9948   -0.7256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2240    1.5446   -1.6795 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0310    1.4501   -3.2414 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9478    2.4585   -3.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4422    1.6055   -3.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6831    0.6923   -0.9737 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3495    0.8750    0.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0382   -0.1228    0.5193 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    2.0050    1.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    3.2384    0.9593 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6332    3.3471    1.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1914    2.3930    2.0614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3816    4.5379    1.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6336    4.6784    1.8143 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7879    5.6061    0.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4556    5.4612    0.1409 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1847    4.3241    0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4493    4.3902   -0.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6653    4.3534    0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8985    4.3987   -0.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9328    4.5082   -1.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7309    4.5971   -2.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    4.5492   -1.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  5  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  2  0  0  0  0
 21 23  4  0  0  0  0
 23 24  1  0  0  0  0
 23 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 20 27  4  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
M  END
$$$$
COVPDB299
  Mrv2015 05262115473D          

 26 26  0  0  1  0            999 V2000
   -9.3231    0.4647    4.9584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9629   -0.1469    4.5019 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.0858   -1.6981    4.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7763    0.3243    5.4153 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.6941    1.7581    5.4326 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0471    2.5197    6.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3652    2.0179    7.4022 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0925    3.7612    6.2144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4493   -0.2185    5.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8601   -1.0069    5.7920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8691    0.1919    3.8505 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5144   -0.0501    3.4353 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4380   -0.6165    1.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9806   -0.8608    1.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9042   -1.4271    0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5408   -1.5369   -0.3848 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1259   -1.7182   -1.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9368   -1.9291   -2.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1281   -1.6796   -1.8727 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7813    1.2336    3.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7698    1.2457    4.3596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1865    2.4474    3.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1899    2.6229    2.1316 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4118    3.8920    1.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5844    4.8821    2.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5008    4.0388    3.3201 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 12 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 22 26  4  0  0  0  0
M  END
$$$$
COVPDB29
  Mrv2015 05262115563D          

 29 32  0  0  1  0            999 V2000
   -2.9773    0.4627   12.2503 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5928    0.6727   11.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4214    1.4082   10.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0184    1.6456    9.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7779    1.1559    8.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9467    0.4072    8.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3523    0.1676    9.9512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4068    1.4416    7.0515 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0683    1.2425    6.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5346    2.6121    6.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3666    3.4385    5.3325 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7554    3.4586    5.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3212    2.0680    6.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1357    4.2392    4.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3572    4.1511    4.0111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6051    5.2348    3.4381 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2959    6.3823    4.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0619    7.3739    3.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0699    6.6280    2.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3467    5.5969    1.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5249    4.5548    2.3558 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7292    3.6865    1.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9050    2.4445    1.4459 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    4.2612    0.6185 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0154    3.5755   -0.3131 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4604    3.2091   -1.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0181    2.9050   -2.5084 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4526    4.1333   -0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1978    2.7480    0.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  3  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
$$$$
COVPDB2
  Mrv2015 05262115403D          

 42 45  0  0  1  0            999 V2000
    7.1344   -8.7517    7.0555 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9055   -7.4663    7.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8762   -6.7198    7.5824 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6783   -7.0055    6.9778 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1976   -5.7037    7.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8372   -5.4083    6.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1890   -4.1149    7.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8348   -3.7431    6.5280 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0224   -3.3140    5.1730 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0306   -3.1727    4.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1053   -3.6726    4.4349 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2992   -2.3328    3.0466 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6529   -0.8740    3.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2851   -0.1663    3.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6511   -1.1372    2.8830 N   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8512   -0.5664    2.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3772   -1.4958    1.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2451   -2.0446    0.1655 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8576   -3.1924   -0.5405 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7736   -1.0374   -0.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0029    0.1714   -0.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6278    1.4390   -0.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0894    2.5660    0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4565    2.4525    0.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1090    1.2179    0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3850    0.0885   -0.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0953   -2.5396    0.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6905   -3.3750    0.4703 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1410   -2.0534    2.2473 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1961   -2.6024    7.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8564   -1.5357    7.3325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1090   -2.6139    7.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5575   -1.5463    8.2847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8951   -3.7273    7.8115 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2295   -3.7606    8.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7943   -5.1997    8.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2153   -5.2308    8.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5460   -5.2743   10.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8914   -5.3070   10.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9227   -5.2863    9.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6077   -5.2324    8.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2631   -5.2019    7.7835 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 18 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 12 29  1  0  0  0  0
 15 29  1  0  0  0  0
  8 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 37 42  4  0  0  0  0
M  END
$$$$
COVPDB300
  Mrv2015 05262115443D          

 43 46  0  0  1  0            999 V2000
   -6.6627    1.1652   -9.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4047    1.4132   -8.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4538    0.6144   -8.9204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3013    2.4995   -7.9356 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1383    2.9164   -7.2018 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2945    3.9166   -8.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1141    4.4872   -7.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8752    3.8142   -7.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2352    4.3139   -6.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0773    5.5443   -5.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1416    6.0098   -5.1644 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0861    7.0131   -5.9728 P   0  0  1  0  0  0  0  0  0  0  0  0
    3.2385    7.4684   -4.9839 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7629    6.2493   -7.1841 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3560    8.1933   -6.4487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1934    6.2465   -5.8283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5048    7.4536   -5.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6157    8.0326   -5.0549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2436    5.6887   -6.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5345    3.5027   -5.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7318    3.3603   -4.9377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6849    4.2307   -5.7301 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0333    4.9795   -4.5477 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.3822    5.7268   -4.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6149    6.9120   -3.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5116    6.5786   -2.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0965    6.1294   -1.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8480    4.7188   -2.0301 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2471    3.9275   -0.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9682    3.8315    0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0901    2.9887    0.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6371    2.7565    1.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0844    3.3620    2.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0230    4.2799    2.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4804    4.5150    1.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5561    3.0543    4.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9406    2.9528    4.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3952    2.6639    5.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4732    2.4653    6.8905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0958    2.5483    6.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6442    2.8362    5.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0479    4.1681   -3.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2232    2.9303   -3.4081 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 10 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 19  4  0  0  0  0
  7 19  4  0  0  0  0
  5 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 30 35  4  0  0  0  0
 33 36  1  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 36 41  4  0  0  0  0
 28 42  1  0  0  0  0
 23 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  END
$$$$
COVPDB301
  Mrv2015 05262116033D          

 33 34  0  0  1  0            999 V2000
   -5.2820   -4.8669    2.5163 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4907   -5.6748    1.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9514   -4.8230    0.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8423   -4.1281   -0.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3554   -3.2849   -1.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9645   -3.1013   -1.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4731   -2.1052   -2.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7450   -0.6462   -2.0421 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6160    0.3307   -3.0796 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5201    0.5262   -4.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4387   -0.3062   -4.2766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4957    1.6960   -4.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9299    1.6747   -6.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9847    2.8541   -6.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6053    4.0818   -6.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1543    4.1590   -5.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1031    2.9362   -4.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8831   -0.2569   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4243    0.0403    0.1993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5252   -0.2295   -1.0222 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4047    0.1113    0.0160 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7996   -0.5321   -0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7967   -2.0643    0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1703   -2.7435   -0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0718   -4.1505    0.0550 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0628   -5.0321   -0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7756   -6.2996    0.1618 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2733   -4.7129   -0.3008 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5212    1.7517    0.1066 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1052    2.4801    1.2986 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1601    2.5602   -1.0236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0740   -3.8435   -0.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5607   -4.6873    0.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
  8 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 21 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
  6 32  4  0  0  0  0
 32 33  4  0  0  0  0
  3 33  4  0  0  0  0
M  END
$$$$
COVPDB302
  Mrv2015 05262115503D          

 24 25  0  0  1  0            999 V2000
    4.0571    2.7945   -0.0356 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0933    2.8461    1.0166 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6424    2.8030    0.4958 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1221    1.3613    0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2929    1.3830   -0.0119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0202   -0.0415   -0.0211 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2822   -1.0230   -1.0209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9670   -0.6683    1.4330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4195    0.1301   -0.4267 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8404    3.4838    1.4695 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6610    4.3578    2.2703 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1305    4.1597    1.8066 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5719    5.2232    0.9638 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4950    4.1663    3.7124 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7826    5.1692    4.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6268    4.9258    6.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1758    3.6708    6.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0235    3.4102    7.6563 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9078    2.7201    5.5269 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714    2.9444    4.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8173    1.9376    3.5033 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2162    6.4121    4.4173 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3941    7.0366    3.4528 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5681    7.7069    2.5201 N   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  2  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 14 20  4  0  0  0  0
 20 21  2  0  0  0  0
 15 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  2  0  0  0  0
M  CHG  2  23   1  24  -1
M  STY  1   1 DAT
M  SAL   1  1  19
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB303
  Mrv2015 05262116023D          

 23 24  0  0  1  0            999 V2000
    0.8160   -0.0900    1.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7176   -0.0224   -0.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8906   -0.7362   -1.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8416   -0.4364   -2.6460 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7290   -0.8547   -3.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6749   -1.6247   -3.3034 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5919   -0.3505   -4.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4465   -1.6881   -6.1958 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8275   -2.2865   -6.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2607   -1.7597   -6.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2005   -2.6232   -6.3715 N   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0476   -3.5198   -5.3067 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0126   -4.4360   -6.1494 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3089   -4.9067   -5.4341 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2840   -5.6514   -6.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9337   -5.8018   -4.3893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1304   -3.2822   -7.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6853   -3.1108   -8.1582 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100   -3.4968   -5.3072 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1772   -4.7875   -5.8495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4035   -0.6396   -7.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6496    0.1008   -7.8765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375   -0.2693   -7.8379 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  2  0  0  0  0
 12 19  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
$$$$
COVPDB304
  Mrv2015 05262116023D          

 17 18  0  0  1  0            999 V2000
    1.8486    0.0793    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0371   -0.0952    0.0382 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5854    1.5199   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8057    2.2463   -1.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3639    3.3358   -0.6704 N   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2262    3.6843    0.6795 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6023    4.4176    0.4663 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6145    5.9289    0.8182 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9323    6.6254    0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4395    6.0640    2.2270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4372    4.0679   -0.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1640    4.2036   -1.9604 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9529    2.2430    1.1963 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1163    1.6045    1.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5822    1.9465   -2.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8691    2.8533   -3.4256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1046    0.8519   -2.8380 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
  6 13  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
$$$$
COVPDB305
  Mrv2015 05262116093D          

 28 32  0  0  0  0            999 V2000
   -7.8968    6.5642    1.6564 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8907    5.7751    2.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6282    5.8018    1.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5924    4.9792    1.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7985    4.1281    3.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0745    4.1145    3.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3762    3.3400    4.7946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3773    2.6097    5.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7130    1.9346    6.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7618    1.1448    7.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0906    0.5344    8.4196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4707    1.0045    6.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1222    1.6873    5.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0644    2.5065    4.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7076    3.2568    3.6232 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5443    4.0648    3.8864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4762    3.6872    3.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3459    4.2194    3.2075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8482    2.6255    2.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1140    1.8814    1.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7525    0.8035    0.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1176    0.5289    0.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8390    1.2828    1.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1843    2.3366    2.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.0006   -0.1558 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0468   -0.1090   -0.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6597   -0.2553   -0.5435 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1129    4.9248    3.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  8 14  4  0  0  0  0
 14 15  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 15 24  1  0  0  0  0
 19 24  4  0  0  0  0
 21 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  2  0  0  0  0
  6 28  4  0  0  0  0
  2 28  4  0  0  0  0
M  END
$$$$
COVPDB306
  Mrv2015 05262116033D          

 18 19  0  0  0  0            999 V2000
    3.9812   -1.8710   -0.9408 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7985   -2.5276   -1.6535 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.1447   -1.8173   -2.8433 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1408   -3.8191   -1.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8908   -5.0095   -0.9173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3168   -6.1595   -0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9794   -6.1375    0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2210   -4.9585   -0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8067   -3.7872   -0.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0678   -2.6351   -0.6051 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2151   -1.8390    0.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5929   -0.6074    0.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9436   -0.5750    0.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7060    0.5998    0.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1284    1.7544    0.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7904    1.7341   -0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1032    3.1229   -0.9615 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0296    0.5546   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 12 18  4  0  0  0  0
M  END
$$$$
COVPDB307
  Mrv2015 05262115513D          

 23 24  0  0  1  0            999 V2000
    4.0255    2.9198   -0.3061 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1029    2.9643    0.7855 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6294    2.8837    0.3283 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1302    1.4293    0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2963    1.4380   -0.0866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0219    0.0144   -0.0342 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3133   -0.9993   -1.0226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9239   -0.5726    1.4341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4326    0.1724   -0.4055 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8599    3.5340    1.3490 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6973    4.4354    2.0971 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1448    4.2899    1.5570 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4939    5.3680    0.6864 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6191    4.2547    3.5507 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9470    5.2803    4.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8653    5.0943    5.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4354    3.8513    6.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3317    3.6355    7.5356 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1334    2.8679    5.4346 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2354    3.0462    4.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9696    2.0193    3.4319 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3511    6.4643    4.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7027    7.4995    3.6791 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  2  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 14 20  4  0  0  0  0
 20 21  2  0  0  0  0
 15 22  1  0  0  0  0
 22 23  3  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  19
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB308
  Mrv2015 05262115583D          

 14 15  0  0  0  0            999 V2000
   -5.6237    3.0297   -0.0321 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3191    2.7204   -0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    1.4326    0.0424 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3989    3.6927   -0.3577 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0697    3.4141   -0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2615    4.3444   -0.6418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6255    2.0911   -0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6050    1.0945   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3161    1.7260   -0.2396 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0991    0.4433   -0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8898   -0.5471    0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2006   -0.1882    0.1705 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4734    0.1372   -0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465    1.0224   -0.1609 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  2  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  2  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   4
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB309
  Mrv2015 05262116013D          

 27 27  0  0  1  0            999 V2000
    4.8342    2.7343   -1.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1088    2.6924   -0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7442    1.9303   -0.0379 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8586    0.4916    0.0839 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8118   -0.4846   -1.1898 P   0  0  1  0  0  0  0  0  0  0  0  0
    3.8027   -0.0935   -2.1979 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1880   -2.0662   -0.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0396   -2.7094    0.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3846   -4.1139    0.7997 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6866   -5.0799   -0.2649 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2694   -4.6720    1.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4460   -5.0166    2.8887 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1423   -4.8580    1.0793 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3526   -0.5764   -1.8570 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8475    0.5490   -2.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3756    1.0934   -3.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8209    2.2611   -4.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2810    2.8796   -3.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8356    2.3260   -2.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2795    1.1601   -1.8596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9816    2.3217    1.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4873    2.1150    2.3031 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7495    2.8861    1.0590 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0899    3.2643    2.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0159    4.3156    1.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3436    4.0758    1.6148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5896    5.4503    1.3947 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
  3 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
$$$$
COVPDB30
  Mrv2015 05262115563D          

 30 34  0  0  1  0            999 V2000
   -5.1635    5.7972    2.7917 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0003    5.4791    3.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6886    4.1217    3.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0567    6.4934    3.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7946    6.1668    4.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4963    4.8133    4.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4203    3.8115    4.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3785    4.2511    4.8391 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5429    2.9156    4.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8019    2.6000    4.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2606    1.2068    4.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0990    0.3128    4.0815 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967    0.4579    5.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4249    1.8882    5.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8909   -0.5357    2.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7796   -0.5788    2.0998 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2932   -1.4155    2.6831 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3997   -2.6557    3.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5712   -3.5926    3.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108   -2.8230    3.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7971   -1.6340    2.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6559   -0.6514    2.5139 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5698    0.4764    1.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6984    1.6537    1.9594 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3714    0.2319    0.2211 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3345    1.2345   -0.7902 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5206    1.8002   -1.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5161    2.2714   -1.5090 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3129    0.9640   -1.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0604    2.0931   -0.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  2  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  3  7  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  7 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  3  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 30  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   8
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB310
  Mrv2015 05262116033D          

 12 11  0  0  0  0            999 V2000
    0.6796   -2.3052   -2.5584 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9076   -2.5053   -1.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1478   -3.6689   -0.8444 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8746   -1.3781   -0.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2342   -1.5518    0.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3434   -0.3334    1.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4489   -0.5210    2.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6318    0.6855    3.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7044    1.3275    3.5591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6593    1.1445    4.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8214    2.3235    5.2146 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3770    0.4872    4.8159 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
$$$$
COVPDB311
  Mrv2015 05262116033D          

 27 30  0  0  1  0            999 V2000
   -3.7727    1.4904    1.0030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3061    0.2254    1.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2710   -0.7601    1.6111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2165   -0.1469    1.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5043    1.1603    0.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9445   -0.6879    0.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0407    0.1136    0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2387   -0.4757   -0.0376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2260    1.4725   -0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5287    1.9833    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8395    2.3544   -0.7372 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0601    3.6606   -0.0030 N   0  0  2  0  0  0  0  0  0  0  0  0
    2.1190    4.5357   -0.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2698    5.8743    0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5216    5.6419    1.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4962    4.8553    2.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    3.4890    1.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5495    2.5097   -2.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3737    3.4681   -2.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5924    3.6329   -4.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0960    2.8405   -5.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    3.0477   -6.4730 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6018    2.2312   -7.2915 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4637    2.8116   -6.7689 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1596    4.3401   -6.8278 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0016    1.8677   -4.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243    1.7052   -3.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  1  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 21 26  4  0  0  0  0
 26 27  4  0  0  0  0
 18 27  4  0  0  0  0
M  END
$$$$
COVPDB312
  Mrv2015 05262116093D          

 33 36  0  0  0  0            999 V2000
   -4.6752    8.5838   10.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2314    7.6761    9.2892 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5087    6.2355    9.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8565    5.3360    8.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0176    5.8028    7.0984 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0014    7.2385    6.8622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7318    8.0692    7.9442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9725    4.9077    6.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7545    5.0880    4.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6227    4.2407    3.7358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7470    3.1368    3.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5342    2.2687    2.7518 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2503    2.5810    1.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6788    3.6832    0.7956 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2984    3.9289   -0.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4277    3.0409   -1.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9332    3.3806   -2.7366 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9795    1.8989   -0.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0876    1.0339   -1.0148 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5280   -0.1036   -0.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2165   -0.9662    0.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5926   -2.1054    0.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7316   -2.4066    0.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4214   -1.5872   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7929   -0.4484   -0.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4440    0.3567   -1.7749 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1976   -0.0317   -2.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3318   -1.2475   -3.1289 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7839    0.8917   -3.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8882    2.2066   -3.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4201    1.7226    0.8273 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0218    2.8957    4.9611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1139    3.7772    6.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 18 31  4  0  0  0  0
 13 31  4  0  0  0  0
 11 32  4  0  0  0  0
 32 33  4  0  0  0  0
  8 33  4  0  0  0  0
M  END
$$$$
COVPDB313
  Mrv2015 05262116033D          

 33 36  0  0  0  0            999 V2000
   -1.6288    3.5647    0.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8058    2.5682   -0.2252 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8331    2.7231   -1.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2322    1.8072   -2.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5195    0.4468   -2.1269 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2441    0.2046   -0.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8398    1.1579    0.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2469   -0.5969   -2.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6919   -0.5614   -4.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3970   -1.6091   -5.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552   -2.7283   -4.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2829   -3.7240   -5.6398 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326   -3.5277   -6.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7653   -4.5850   -7.5605 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5380   -4.4344   -8.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0262   -3.1588   -9.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0081   -2.9774  -10.3902 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6693   -2.0620   -8.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0432   -0.7710   -8.4962 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8669   -0.1947   -7.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3573    0.2104   -6.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2036    0.7844   -5.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5556    1.0063   -5.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0566    0.6583   -6.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2299    0.0368   -7.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6808   -0.2838   -9.1171 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9202   -0.7381   -9.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7734   -1.0400   -8.6126 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2833   -0.9065  -10.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5195   -0.5990  -11.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8820   -2.2959   -7.1303 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2545   -2.7975   -3.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5256   -1.7338   -2.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 18 31  4  0  0  0  0
 13 31  4  0  0  0  0
 11 32  4  0  0  0  0
 32 33  4  0  0  0  0
  8 33  4  0  0  0  0
M  END
$$$$
COVPDB314
  Mrv2015 05262116143D          

 35 39  0  0  0  0            999 V2000
    5.1681   -9.5420   12.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6593   -9.5459   10.6124 N   0  0  1  0  0  0  0  0  0  0  0  0
    3.7772   -8.3926   10.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0774   -8.6622    8.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9881   -9.0436    7.8594 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1153   -9.9087    8.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7291   -9.7131    9.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554   -8.7776    6.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7671   -9.7788    5.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3467   -9.5490    4.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7720   -8.3170    3.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3002   -8.2056    2.5706 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0548   -7.7904    2.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2004   -7.1471    3.0674 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0694   -6.7870    2.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8939   -6.1850    3.6323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6393   -4.8497    3.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4743   -3.9019    3.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2526   -2.5249    3.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1930   -2.0647    4.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0684   -0.7103    4.3128 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0576    0.0230    4.5825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1914   -0.5138    4.5600 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0048    1.3901    4.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1243    1.9476    5.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3794   -3.0213    4.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6011   -4.3986    4.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061   -7.1331    1.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7041   -6.9741    0.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5167   -7.5532   -0.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2626   -8.0347   -0.5862 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6323   -7.7934    0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6284   -8.1037    0.9585 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7057   -7.2876    4.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1624   -7.5120    6.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 26  4  0  0  0  0
 26 27  4  0  0  0  0
 17 27  4  0  0  0  0
 15 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 28 32  4  0  0  0  0
 32 33  4  0  0  0  0
 13 33  4  0  0  0  0
 11 34  4  0  0  0  0
 34 35  4  0  0  0  0
  8 35  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  31
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB315
  Mrv2015 05262116123D          

 30 34  0  0  1  0            999 V2000
   -0.2245    0.0207   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1187    0.0469   -0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -1.0827   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3584   -2.1837   -0.1974 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3461   -1.0928    0.0982 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1366    0.1137    0.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5639    0.0782   -0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3231   -1.2144    0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4893   -2.4588   -0.3232 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0429   -2.3654    0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1678   -3.6615    0.0924 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1095   -4.3560   -0.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4929   -5.4372    0.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6913   -4.1302   -1.7884 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6563   -4.9808   -2.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0279   -6.0577   -1.4881 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4790   -6.3226   -0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9027   -7.3984    0.4096 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -4.2357    1.2459 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7552   -5.3237    1.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8019   -6.1073    2.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4813   -7.4790    2.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5520   -8.3166    3.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9161   -7.7912    4.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1983   -6.4160    4.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1457   -5.5562    3.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5348   -5.8970    6.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8213   -4.5318    6.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7819   -3.6758    5.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4538   -4.1821    4.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 12 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
 17 18  1  0  0  0  0
 11 19  4  0  0  0  0
 19 20  4  0  0  0  0
 13 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 25 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 26 30  4  0  0  0  0
M  END
$$$$
COVPDB316
  Mrv2015 05262116103D          

 10  9  0  0  0  0            999 V2000
    1.0461   -1.5177   -0.7562 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9832   -0.5761    0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9476   -0.9546    1.4073 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    0.8608   -0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2467    1.2542   -0.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1756    1.8024   -0.2236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4336    1.0344   -2.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2391    2.0721   -3.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5881    2.1805   -3.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4225    2.8621   -3.8397 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
$$$$
COVPDB317
  Mrv2015 05262115563D          

 33 35  0  0  1  0            999 V2000
    3.6506   -4.4013   -0.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9743   -5.1711   -1.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4568   -4.8237   -3.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   -3.7018   -3.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3075   -2.9169   -2.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8216   -3.2651   -0.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5073   -2.5036    0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6121   -2.8500    1.1119 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6247   -1.8574    2.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5215   -0.9327    1.6272 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0610   -1.3172    0.5050 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8171   -1.7674    3.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0860   -0.8635    3.9973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3416   -2.6644    3.4556 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0738   -4.1284    3.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0408   -4.2550    4.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2116   -2.6356    2.3172 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4863   -2.1506    2.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240   -1.8021    3.2607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0864   -1.9640    0.8901 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2737   -3.3239    0.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8675   -3.2354   -1.3028 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3604   -2.8007   -1.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7017   -4.5834   -2.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1657   -1.1117    0.1914 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4240   -0.0336   -0.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6196    0.2726   -0.8342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3817    0.6858   -1.1814 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6763    1.6228   -2.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4602    2.3743   -2.8675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7838    1.6754   -2.6993 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0459    1.4057   -1.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0130    0.4180   -0.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 33  1  0  0  0  0
M  END
$$$$
COVPDB318
  Mrv2015 05262116033D          

 26 28  0  0  0  0            999 V2000
    9.7794   -0.7987   -2.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3718   -0.9952   -2.1682 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5025   -1.2955   -3.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2337   -1.4055   -2.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4318   -1.1606   -1.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7355   -0.9124   -1.0379 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1133   -1.7144   -3.3016 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8331   -1.8096   -2.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9710   -2.4750   -3.6622 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6687   -2.6568   -3.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1662   -2.1415   -2.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4556   -2.4140   -1.7246 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0588   -1.4219   -1.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3594   -1.2956   -1.6841 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7100   -0.8985   -0.0759 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9591    0.2559   -0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3524    0.1821    0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1646    1.3274    0.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6660    2.5711    0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6475    2.6671   -0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4671    1.5170   -0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7382    1.6079   -0.9621 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7419    2.3476   -0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    2.9767    0.6634 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0051    2.4068   -0.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3027    2.0218   -2.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
  8 14  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
$$$$
COVPDB319
  Mrv2015 05262116033D          

 30 32  0  0  0  0            999 V2000
    0.9305   -4.2015    5.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6117   -4.9756    6.2329 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5512   -5.6694    6.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4139   -5.6022    5.2409 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1388   -4.8469    4.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0544   -4.0822    4.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3507   -3.2783    2.9295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6682   -3.2195    2.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1156   -4.0836    1.7159 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4849   -2.2339    2.9225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6232   -2.6202    2.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5089   -1.9281    1.1067 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5143   -1.6801    0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0436   -1.0284   -0.8254 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2636   -0.8518   -0.5832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5623   -1.4007    0.6060 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1764   -0.1776   -1.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9958   -0.1528   -2.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8901    0.5444   -3.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7053    0.4869   -5.1512 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4537    0.9355   -5.4946 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8409   -0.8097   -5.5818 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6072    1.2298   -5.8767 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9517    1.2646   -3.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1715    1.2531   -1.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837    0.5028   -0.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3037    1.9896   -1.0383 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2034    1.0921   -0.5209 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0035    2.8191   -1.8847 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8512    2.7809   -0.0092 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 12 16  4  0  0  0  0
 15 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 19 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 17 26  4  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
$$$$
COVPDB31
  Mrv2015 05262115473D          

 24 24  0  0  1  0            999 V2000
   -2.0099    0.2469   -4.6511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6274   -0.9744   -4.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7729   -0.6827   -2.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3769   -1.9272   -1.9131 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3107   -2.9224   -2.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2072   -4.0332   -3.0227 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4907   -1.7831   -0.7677 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9230   -0.7237   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7576   -1.0543    0.8568 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5178    0.7067   -0.1045 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5284    1.7504    0.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4057    3.1969   -0.1215 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2204    4.2187    0.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8349    3.2922   -1.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8128    0.9507    0.3726 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3490    0.7084    1.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939   -0.3351    2.7568 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5045    1.2770    1.9101 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9056    2.5224    1.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0349    3.6344    1.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4614    4.9049    1.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7723    5.0820    0.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6571    3.9894    0.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2273    2.7162    1.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
M  END
$$$$
COVPDB320
  Mrv2015 05262116033D          

 31 34  0  0  1  0            999 V2000
   -5.3358  -14.1359   -1.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5538  -13.4270   -1.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7105  -12.6389   -0.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2867  -12.9332    0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3652  -12.0925    1.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8902  -10.9362    0.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3459  -10.5830   -0.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2209  -11.4769   -1.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9056   -9.3782   -1.0367 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5234   -8.5236   -1.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5566   -8.8734   -2.7218 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1900   -7.9894   -3.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8141   -6.6831   -3.5499 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1192   -7.1739   -1.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7982   -6.2736   -2.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1603   -6.5111   -1.2741 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2653   -5.2242   -1.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2739   -5.0514   -2.5514 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7428   -3.8221   -3.1384 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0418   -3.3185   -2.4724 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2155   -3.9352   -3.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9927   -1.8098   -2.7446 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5727   -1.4998   -4.0125 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4743   -1.5153   -2.7551 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7924   -2.7522   -3.0262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9280   -0.9503   -1.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5045   -0.8127   -1.5585 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2881   -0.5223   -0.0645 S   0  0  2  0  0  0  0  0  0  0  0  0
    0.0556   -1.7627    0.9218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2409    0.8410    0.5874 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0021   -0.3776   -0.4067 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 10 14  4  0  0  0  0
 14 15  4  0  0  0  0
 13 15  4  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 15 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 19 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
M  END
$$$$
COVPDB321
  Mrv2015 05262115493D          

 21 20  0  0  0  0            999 V2000
    2.8910  -12.3425   -6.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1153  -11.6165   -6.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7404  -10.7618   -5.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9567   -9.9969   -4.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5965   -9.1806   -3.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6708   -8.2829   -2.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9270   -7.0623   -3.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1639   -6.3589   -4.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7716   -6.0958   -4.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3930   -5.4511   -2.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0926   -5.2749   -2.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7399   -4.7728   -1.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4337   -4.5420   -0.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5454   -5.0146   -1.5479 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1605   -3.6807    0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5922   -2.2168   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3193   -1.2694    1.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.1717    0.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4698    1.0950    1.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5553    1.9641    1.8178 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0906    1.0748    3.0623 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
$$$$
COVPDB323
  Mrv2015 05262116033D          

 25 28  0  0  1  0            999 V2000
   -2.2768    6.9661   -1.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1024    5.9998   -1.2144 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3288    6.5547   -0.1515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5727    4.5744   -0.8076 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4424    3.4876   -0.6442 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3424    2.3184    0.3774 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2932    2.4476    1.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5982    1.1361   -0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3110   -0.4751    0.1293 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4230   -0.6067    0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3514   -0.9871   -0.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5777   -1.0009   -0.0380 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4835   -0.6443    1.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4854   -0.5164    2.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1071   -0.1133    3.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7521    0.1510    3.8328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7551    0.0111    2.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1441   -0.3866    1.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1101    1.4664   -1.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1864    2.7730   -1.5921 N   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0788    3.7126   -1.8869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0939    3.7518   -2.6191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433    0.6736   -2.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5398   -0.6776   -2.6466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9595    1.1921   -3.7595 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 10 18  4  0  0  0  0
 13 18  4  0  0  0  0
  8 19  2  0  0  0  0
 19 20  1  0  0  0  0
  5 20  1  0  0  0  0
 20 21  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  2  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  12
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB324
  Mrv2015 05262116033D          

  7  6  0  0  0  0            999 V2000
    4.0857    0.1108   -0.2661 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3877    1.2283   -0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1055    2.3622   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9803    1.2009   -0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3587    2.2936    0.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2256    0.0214    0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1154   -0.0411    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
$$$$
COVPDB325
  Mrv2015 05262116033D          

 24 25  0  0  1  0            999 V2000
  -12.2540   -4.6687   -1.5652 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9479   -5.5719   -0.5009 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.3332   -4.9242    0.7651 C   0  0  2  0  0  0  0  0  0  0  0  0
  -12.3168   -3.7705    1.1600 C   0  0  1  0  0  0  0  0  0  0  0  0
  -13.4294   -4.5512    1.9382 C   0  0  1  0  0  0  0  0  0  0  0  0
  -14.1490   -5.5565    0.9546 C   0  0  1  0  0  0  0  0  0  0  0  0
  -15.0982   -4.8441    0.1562 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2071   -6.3628   -0.0148 C   0  0  2  0  0  0  0  0  0  0  0  0
  -12.7723   -7.5604    0.6338 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0888   -5.1124    3.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5253   -6.3336    3.4142 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3249   -4.4606    4.3181 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8438   -3.5857    1.0986 N   0  0  1  0  0  0  0  0  0  0  0  0
  -10.2265   -3.3810    2.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6899   -3.5726    2.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9050   -2.4767    1.6413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3693   -2.6708    1.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5458   -1.5749    1.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0137   -1.7800    1.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1742   -0.6984    0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6494   -0.9264    0.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9346    0.0562   -0.0353 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2291    0.1018   -0.0682 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3898    0.1469   -0.1008 N   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  4 13  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  2  0  0  0  0
M  CHG  2  23   1  24  -1
M  END
$$$$
COVPDB326
  Mrv2015 05262116033D          

 42 45  0  0  1  0            999 V2000
   19.9498   -4.6984    4.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6962   -4.2317    4.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5454   -4.9999    4.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6169   -6.2497    4.8199 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3435   -4.3477    4.7588 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0729   -4.8665    4.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7341   -6.0825    4.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4225   -6.5853    4.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4304   -5.8827    4.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7439   -4.6632    5.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0492   -4.1209    5.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3669   -2.9063    5.9843 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6271   -1.6993    5.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3906   -1.7167    5.3724 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5712   -0.6414    5.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0177    0.5573    5.6889 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2320    0.7037    6.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0709   -0.4129    6.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5886   -0.2452    7.1622 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.3652   -0.8684    4.6443 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3487   -0.0178    4.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2726    1.3723    4.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1629    2.1113    4.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1720    1.4968    3.4083 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1986    0.1704    3.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2836   -0.6139    3.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2472   -0.3515    2.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4168   -0.8660    1.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5094   -1.5007    0.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4099   -2.2828    1.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1617   -1.5760    1.6947 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9421   -2.1185    1.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8012   -3.3392    1.1695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2005   -1.3782    1.3296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4294   -0.0165    1.7183 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5922    0.1599    3.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2413   -1.0090    4.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5722   -1.5886    3.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5646   -0.5642    3.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7343    0.0643    2.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9514   -0.1533    0.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5790    0.5761    0.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 25 27  1  0  0  0  0
 27 28  3  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 35 42  1  0  0  0  0
M  END
$$$$
COVPDB327
  Mrv2015 05262116033D          

 31 33  0  0  0  0            999 V2000
    1.4635    0.0516   -0.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0795    0.0197    0.0559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1823    0.5713    1.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172   -0.1462    2.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3373    0.4087    3.6662 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9050    1.6380    3.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.4101    2.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7407    1.8623    1.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7372    3.6428    2.5674 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6411    4.1983    3.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1506    3.6052    4.5237 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0979    4.2055    5.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6154    5.4792    4.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6806    6.1392    5.7547 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.8147    6.2858    4.9930 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0476    5.4465    6.8857 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2652    7.3779    6.1838 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0790    6.0849    3.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1097    5.4233    3.0834 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5268    7.3137    3.3560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2099    8.0521    2.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7307    7.4852    1.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3741    8.2923   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5140    9.6851    0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0443   10.2630    1.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4232    9.4579    2.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9710   10.0237    3.4086 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9602   10.9714    3.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5112   11.3619    2.3837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4407   11.5031    4.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8494   11.3820    5.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 13 18  4  0  0  0  0
 18 19  4  0  0  0  0
 10 19  4  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
$$$$
COVPDB328
  Mrv2015 05262116033D          

 30 31  0  0  1  0            999 V2000
   -6.3769    2.1684    7.9139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0785    1.5207    7.3543 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9364    0.0601    7.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0719    1.6138    5.7945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8277    1.0864    5.0145 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4224    1.7062    5.6207 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7301    1.0285    6.8091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7183    2.8646    4.9109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6313   -0.3273    4.9235 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4714   -1.2560    4.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6505   -0.9781    4.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9496   -2.6174    4.1124 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1628   -3.2701    5.2940 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6570   -4.6982    4.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9872   -3.3525    6.4547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0857   -2.4709    2.9753 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -3.0469    1.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2284   -3.7921    1.5186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2997   -2.8092    0.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1110   -3.7032   -0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1624   -3.4046   -1.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4118   -2.2176   -1.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6210   -1.3344   -0.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -1.6751    0.7513 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0503   -0.0903   -0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7059    1.0895    0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0748    2.3420    0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3256    2.4330    0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0936    1.2700   -0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4608    0.0166   -0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 23 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
M  END
$$$$
COVPDB329
  Mrv2015 05262116033D          

 23 23  0  0  1  0            999 V2000
    4.9380   -6.5882    1.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4989   -5.6137    0.2536 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0266   -5.9034   -0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7454   -4.1357    0.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5366   -3.0135   -0.3650 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4534   -3.2558   -1.7154 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976   -4.0452   -2.9035 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8461   -2.6281   -1.8213 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1841   -2.7900   -0.7693 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2072   -2.2543    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3896   -2.0264    1.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9303   -1.8309   -0.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948   -0.4079   -0.6271 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3077    0.4557    0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6305    0.0597    0.8972 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7187    1.8117    0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1073    2.0901    0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5808    3.4090    0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2436    3.7111    0.5240 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6659    4.4750    0.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2876    4.2206    0.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1924    2.9014    0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8706    2.6998    0.0688 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  1  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 16 22  4  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$
COVPDB32
  Mrv2015 05262115443D          

 28 29  0  0  1  0            999 V2000
    2.5891    1.5305    3.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1912    1.8311    2.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7482    2.9669    1.8351 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3078    0.8486    1.1796 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8665    0.9300   -0.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -0.2804   -1.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0115   -1.5578   -0.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1044   -2.6183   -1.3657 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5063   -2.7330   -2.7254 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7325   -1.3438   -3.6058 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1796    0.0070   -2.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8366   -4.1415   -2.7362 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5681   -4.2211   -3.3892 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1592   -5.3544   -3.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3031   -6.4850   -3.2908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5518   -5.2252   -4.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6595   -4.6384   -5.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1084   -4.1826   -5.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2924   -3.6176   -7.2640 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1624   -4.6881   -8.2644 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5946   -2.9464   -7.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5638   -2.9039   -6.5381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8233   -2.3766   -8.5762 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6352   -3.8753   -1.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0784   -4.5458   -0.4142 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8070   -1.8681    0.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6569   -2.7031    1.4544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8099   -1.4426    1.4385 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 12 24  1  0  0  0  0
  8 24  1  0  0  0  0
 24 25  2  0  0  0  0
  7 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
$$$$
COVPDB330
  Mrv2015 05262116033D          

 28 28  0  0  1  0            999 V2000
   -2.2734    1.5732    3.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7607    0.8869    2.5244 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8955    0.8558    1.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4766    1.6057    2.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3383    0.8301    0.9311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5503    1.6663    0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4242    0.9779   -0.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4178    1.9421   -1.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190    2.4585   -2.2706 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4548    2.3164   -0.3383 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3068    3.4702   -0.4707 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9912    3.5469   -1.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6057    2.3056   -2.2371 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5612    4.7169   -0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125    5.8255   -0.3114 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3431    4.6363    0.4935 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5019    5.6525    1.0466 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1899    6.6954    1.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2362    6.1684    3.0150 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6151    7.3057    4.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8212    4.8934    3.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5798    6.2200    0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4688    5.6650   -0.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8472    7.4420   -0.7793 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8231    7.3282   -1.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4078    7.3388   -2.1456 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5573    8.8477   -0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3366    8.8531    0.5432 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$
COVPDB331
  Mrv2015 05262116033D          

 40 41  0  0  1  0            999 V2000
   -1.0328    1.6142   -0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1777    2.6707   -0.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2096    2.4561   -0.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7440    1.1853   -0.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8877    0.1273   -0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5096    0.3322    0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4123   -0.7926    0.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6422   -1.4814   -0.8526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2293   -2.6970   -0.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6486   -3.3237    0.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2598   -3.2392   -2.2378 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5513   -4.6163   -2.5202 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6248   -4.8710   -4.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7101   -4.0515   -4.8258 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1596   -4.3099   -4.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6065   -4.3381   -6.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4915   -5.4217   -1.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243   -6.2512   -0.9806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1883   -5.0896   -2.0883 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9011   -5.2276   -1.1660 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2629   -6.6851   -0.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4562   -6.8299    0.2835 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8339   -8.3279    0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1840   -6.1208    1.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0446   -4.4577   -1.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1117   -3.2314   -1.4723 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9983   -5.0739   -2.4892 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2176   -4.5230   -3.0146 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1575   -4.1414   -1.9192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9096   -3.1236   -1.2300 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3322   -4.8584   -1.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6475   -5.9197   -2.1926 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0095   -3.3812   -4.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2895   -3.8549   -5.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9395   -4.7026   -6.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2599   -5.1858   -7.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170   -4.8283   -7.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2565   -5.2895   -8.6494 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2602   -3.9832   -6.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9429   -3.4964   -5.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  1  0  0  0  0
 37 39  4  0  0  0  0
 39 40  4  0  0  0  0
 34 40  4  0  0  0  0
M  END
$$$$
COVPDB332
  Mrv2015 05262116033D          

 39 39  0  0  1  0            999 V2000
    3.5282   -2.2765   -2.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552   -1.6091   -1.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2508   -0.1476   -1.8274 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3265    0.7418   -0.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8613   -0.0883   -2.5872 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6173    1.2349   -3.1773 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2700    1.5249   -4.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931    2.2367   -2.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3199    3.3319   -3.2322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9618    2.1593   -1.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3031   -0.7497   -1.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2307   -1.0298   -0.7010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4378   -1.0946   -2.6264 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5382   -1.8406   -2.0642 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9744   -1.5787   -2.6626 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2250   -2.1395   -4.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1386   -2.0370   -1.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3371   -1.1649   -0.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1380   -3.2644   -1.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1768   -3.6196   -0.5971 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6686   -4.2906   -2.5832 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4994   -4.5496   -3.9893 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0160   -3.4179   -4.9498 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4806   -3.0652   -4.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3477   -3.7519   -6.2997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6493   -5.7748   -4.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1030   -6.7551   -4.7359 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5807   -5.8491   -3.4883 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4531   -6.9937   -3.4648 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9343   -6.6471   -3.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2343   -5.9398   -5.1760 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5133   -6.5578   -6.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7663   -5.8629   -5.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3650   -7.6628   -2.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0252   -8.8696   -2.0932 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6782   -7.0000   -0.8367 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1461   -6.7635   -0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6022   -6.1330   -0.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8609   -7.4621    0.2531 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 29 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
$$$$
COVPDB333
  Mrv2015 05262116033D          

 34 38  0  0  1  0            999 V2000
  -11.6673   -8.5750   -7.5508 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6662   -7.8501   -6.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5610   -8.1208   -5.5690 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6758   -6.8666   -6.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7422   -6.0541   -4.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7265   -5.1300   -4.6834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6077   -4.9984   -5.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5511   -5.7782   -6.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5764   -6.6927   -7.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5578   -4.1056   -5.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8123   -2.7226   -5.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7896   -1.8320   -4.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4885   -2.3101   -4.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2306   -3.6939   -4.5482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2488   -4.5800   -4.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4671   -1.4251   -4.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2121   -0.2130   -4.5129 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1479    0.2335   -3.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7744   -0.6627   -2.8913 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5766   -1.6726   -3.0294 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7427   -0.5287   -1.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9173    0.3733   -2.2608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5436   -1.2829   -0.7935 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4851   -2.3550   -0.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3736   -3.1063    0.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9119   -3.2193    1.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3303   -1.7986    1.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3385   -1.0877    0.0411 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0695    0.3375    0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4035    0.7570    0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7856    2.0962    0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8401    3.0394    0.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4834    2.6375    0.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8645    1.2959    0.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
M  END
$$$$
COVPDB334
  Mrv2015 05262116033D          

 20 24  0  0  1  0            999 V2000
    4.5649    1.0865    1.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5069    0.2991    2.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4108   -1.1095    2.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3759   -1.7389    1.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4493   -0.9359    1.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5232    0.4542    1.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9857   -1.5381    0.1215 Se  0  0  0  0  0  0  0  0  0  0  0  0
    1.6506    0.2601   -0.2502 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5050    1.0719    0.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336    2.3202    0.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5425    0.6735   -1.1307 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7512    0.8613   -0.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724    1.2923   -1.1431 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6509    2.6349   -1.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4051    2.4408   -2.7958 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8116    2.0197   -1.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6774    1.3320   -3.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093   -0.0008   -3.1172 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2684    0.1935   -2.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2082   -0.4162   -2.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  6  9  4  0  0  0  0
  9 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 19  1  0  0  0  0
 18 20  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
$$$$
COVPDB335
  Mrv2015 05262116033D          

 19 21  0  0  0  0            999 V2000
    1.2071   -0.3556    0.2110 N   0  5  0  0  0  0  0  0  0  0  0  0
    0.0598   -0.2053    0.1214 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0911   -0.0501    0.0284 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7197    0.9551   -0.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1307    0.9301   -0.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8707    1.9629   -1.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2099    3.0491   -1.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7975    3.0622   -1.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0601    2.0316   -1.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9122    4.0781   -2.3509 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7922    5.3782   -1.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0527    5.7632   -1.0437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1055    3.7672   -3.7404 Se  0  0  0  0  0  0  0  0  0  0  0  0
   -5.3262    5.6506   -3.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5633    6.2763   -2.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1602    6.3939   -4.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2330    7.7916   -4.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4709    8.4325   -3.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6289    7.6772   -2.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  2  0  0  0  0
 10 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 15 19  4  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
$$$$
COVPDB336
  Mrv2015 05262116083D          

  9  8  0  0  0  0            999 V2000
   -0.6916   -0.5338    2.0287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3607   -0.5213    0.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -1.6013    0.2548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4398    0.6234   -0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1092    0.5263   -1.3672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8370    1.8176    0.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9546    2.9652   -0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3570    4.1352    0.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4563    5.1768   -0.5231 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
$$$$
COVPDB337
  Mrv2015 05262116043D          

 14 14  0  0  0  0            999 V2000
    1.1521   -4.6090   -0.6549 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3187   -4.7745    0.6184 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.9342   -5.5039    1.8184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2014   -4.3157    0.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4199   -2.9298    0.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -2.4068    0.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8141   -3.2679    0.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6077   -4.6486    0.7789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3020   -5.2183    0.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0839   -6.6074    0.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0025   -7.5785    1.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7018   -8.9224    1.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4344   -9.4017    1.2772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6203   -9.7589    1.4338 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
$$$$
COVPDB338
  Mrv2015 05262116053D          

 31 33  0  0  0  0            999 V2000
   -1.1787   -6.0463   -0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0675   -6.3047    0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2472   -6.2520   -0.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7469   -6.5795    0.2513 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1729   -5.9305   -1.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0720   -5.6552   -2.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2582   -5.7277   -1.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5190   -5.4980   -2.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4854   -6.4542   -2.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5970   -5.7769   -3.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5261   -7.8582   -2.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4817   -8.5885   -2.0035 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6775   -8.4924   -2.7808 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7665   -7.8165   -3.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7220   -6.4632   -3.3804 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0764   -4.2660   -2.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3409   -4.4496   -3.1082 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2778   -3.4497   -3.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7902   -2.5887   -4.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8579   -1.7021   -5.1450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5170   -0.7933   -6.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3842   -3.0774   -2.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6284   -2.1085   -1.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5682   -2.1762   -0.7232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4156   -2.2427    0.0485 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7963   -1.0070   -1.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7527   -0.2660   -2.5881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9753   -0.8084   -0.5093 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1037    0.1305   -0.4485 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2661    1.3245    0.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3623   -0.6176    0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  1  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  9 11  4  0  0  0  0
 11 12  1  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
  8 16  4  0  0  0  0
 16 17  4  0  0  0  0
 10 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  3  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
$$$$
COVPDB339
  Mrv2015 05262116083D          

 12 13  0  0  0  0            999 V2000
   -2.8582    0.1152   -0.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1027    1.3027   -0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6921    1.2551   -0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022    0.0181   -0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4791   -0.0360   -0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7733   -1.1589   -0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1678   -1.1103   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3978   -2.4517   -0.0833 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4905   -3.2340    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4811   -4.4834    0.0808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6226   -2.4211    0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125   -2.8041    0.0529 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  1  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
$$$$
COVPDB33
  Mrv2015 05262115563D          

 18 18  0  0  0  0            999 V2000
   -1.0724   -4.3746    2.9787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4774   -2.9659    2.8992 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862   -2.2036    4.1946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1554   -2.2884    1.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3141   -0.8239    1.5020 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0320   -0.0262   -0.0474 S   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1062   -0.5492   -1.1157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2421    1.5495    0.1600 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6721   -0.3390   -0.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8852    0.2973   -1.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3915    1.6120   -2.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759    2.2116   -3.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2576    1.5064   -4.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7496    0.1858   -4.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5704   -0.4016   -3.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291   -0.5283   -5.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6076    0.0150   -6.8476 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9676   -1.6931   -5.6002 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
$$$$
COVPDB340
  Mrv2015 05262116083D          

 15 16  0  0  0  0            999 V2000
   -1.5985   -2.4146    1.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8762   -2.9855    0.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1450   -2.1689   -0.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0959   -0.7555   -0.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6890    0.1016   -1.4298 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2420    1.1972   -0.8109 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -0.5616   -2.0177 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1391    0.5444   -2.4294 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8589   -0.2075    0.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5778   -1.0175    1.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0570    1.0747    0.9356 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8574    1.1181    2.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2340    2.1614    2.5989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1907   -0.1858    2.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9002   -0.5310    3.3525 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  4  0  0  0  0
  9 10  4  0  0  0  0
  1 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
$$$$
COVPDB341
  Mrv2015 05262116083D          

 15 16  0  0  0  0            999 V2000
    1.5183    0.0241   -0.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1904   -0.1705    0.2661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4545    0.5581    1.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1339    1.5394    1.7401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7633    0.1784    1.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4393   -0.8998    1.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7358   -1.2999    1.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3977   -0.6459    2.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4613    0.8271    2.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7386    0.4202    3.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1064    1.8713    3.4593 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0916    2.1419    4.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0591    3.0551    5.1893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1379    1.2455    4.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2222    1.1983    4.7489 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  5  9  4  0  0  0  0
  9 10  4  0  0  0  0
  8 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
$$$$
COVPDB342
  Mrv2015 05262116083D          

 12 13  0  0  0  0            999 V2000
    1.6036   -0.2115    0.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1839   -0.0344    0.0034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6507   -0.9004   -0.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3090   -1.9624   -1.2084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9624   -0.4285   -0.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9813   -0.9757   -1.0481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9130    0.7630    0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5777    0.9891    0.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9389    1.6529    0.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5911    2.8011    1.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2456    3.0402    1.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2302    2.1375    1.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  2  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
M  END
$$$$
COVPDB343
  Mrv2015 05262115473D          

 34 36  0  0  1  0            999 V2000
   -7.0024   -7.3119   -8.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0039   -7.2298   -6.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8404   -8.5899   -5.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7825   -8.4064   -4.9693 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4843   -9.2793   -3.9696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1360  -10.3330   -3.7811 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3721   -8.9597   -3.0607 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9751   -8.9706   -3.6567 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4307  -10.0062   -2.7711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9962   -8.0037   -3.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5719   -8.0908   -1.9530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6094   -7.0075   -3.9664 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2294   -5.8917   -3.6496 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9341   -5.3725   -4.9596 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0648   -4.8348   -6.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0626   -4.3112   -4.7224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2840   -4.8345   -3.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4391   -4.7899   -2.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3255   -4.1912   -2.0802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7533   -4.3350   -2.9866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8135   -5.0082   -3.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1102   -4.3868   -3.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056   -2.9509   -2.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1883   -3.0425   -2.4949 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8882   -2.7530   -1.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2907   -3.5201   -0.1620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1576   -1.6349   -0.7783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6879   -1.1999    0.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0537    0.0686    0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6503    1.2883    0.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0426    2.4963   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4464    2.4998   -0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1568    1.2927    0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4664    0.0840    0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
M  END
$$$$
COVPDB344
  Mrv2015 05262115473D          

 24 24  0  0  1  0            999 V2000
   -1.2682   -1.6295    6.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7411   -0.6064    5.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0234   -0.8014    4.6277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1317   -0.0350    3.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8998    0.9530    3.4537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2641   -0.3329    2.3635 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4530   -1.6309    1.7847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8409   -0.5168    0.9657 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0652    0.0477   -0.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6870   -0.7090   -0.8267 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2002    1.3965   -0.0375 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1560    2.2026   -0.7440 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4019    3.1681   -1.7300 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6200    4.0982   -1.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3294    4.0305   -2.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835    3.2242   -3.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0090    2.9258    0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1057    3.4051   -0.1310 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5992    3.0832    1.5376 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2262    3.8773    2.5492 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1108    4.3781    3.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2603    3.1265    3.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1936    1.7830    3.4513 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2111    3.7422    3.8313 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
$$$$
COVPDB345
  Mrv2015 05262115473D          

 27 27  0  0  1  0            999 V2000
   -1.4105   -1.7668    6.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8363   -0.6884    5.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1530   -0.8865    4.5707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2406   -0.0688    3.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9536    0.9624    3.4793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4088   -0.3762    2.3257 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6462   -1.6634    1.7413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0460   -0.5324    0.9530 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1668    0.0314   -0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4901   -0.7307   -0.8185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0465    1.3846   -0.0932 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0171    2.1264   -0.6983 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5604    3.5733   -1.1089 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0392    4.4276    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6791    4.3822   -1.8518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0756    3.8239   -3.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1436    2.0613    0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2059    1.4873   -0.0659 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9526    2.5168    1.5427 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7736    2.2584    2.6862 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2131    2.8873    2.6367 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2101    4.4241    2.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0934    2.5293    3.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4370    1.0264    4.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592    2.6449    3.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5206    1.7037    4.7341 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6162    3.8326    4.0700 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
$$$$
COVPDB346
  Mrv2015 05262115473D          

 38 41  0  0  1  0            999 V2000
    5.9069   -6.2889   -2.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6076   -5.2377   -2.7935 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4314   -3.9187   -2.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5629   -3.6493   -1.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8672   -4.7006   -0.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -6.0820   -1.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2057   -7.2519   -0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2246   -7.7627   -1.2951 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2293   -8.6087   -0.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0991   -9.0158    0.2477 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2788   -9.0319   -1.9660 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0799   -9.6866   -1.5230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0664   -8.3383   -2.0009 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7031   -8.1541   -3.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103   -9.0696   -3.7953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5941   -7.0206   -4.0620 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2137   -5.8642   -3.7950 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7731   -5.3075   -5.1587 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3364   -4.7810   -6.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8906   -4.2208   -5.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1497   -4.6761   -4.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4278   -4.7885   -2.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3714   -4.0862   -2.3043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7714   -4.4447   -2.9323 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8391   -5.2918   -3.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1489   -4.5907   -2.9715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7555   -3.1158   -2.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2411   -3.1466   -2.5050 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9469   -2.8284   -1.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3632   -3.5734   -0.1670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1962   -1.7187   -0.8126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7317   -1.2689    0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0139   -0.0014    0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4271    0.0147    0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1199    1.2219   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4101    2.4283   -0.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0065    2.4268   -0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6870    1.2197    0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 33 38  4  0  0  0  0
M  END
$$$$
COVPDB347
  Mrv2015 05262116013D          

 16 17  0  0  0  0            999 V2000
   -4.4660    0.4185    1.0511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0629   -0.6656    1.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4996   -1.6791    0.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1171   -2.8357    1.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3166   -2.9841    2.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8876   -1.9775    3.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2512   -0.8036    3.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0940   -2.1253    4.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6611   -1.1343    5.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0435    0.0269    5.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8327    0.1897    3.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8445   -1.2038    7.1632 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8933   -2.3112    7.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6191   -3.4520    7.5232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2030   -2.2148    9.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7832   -1.1551    9.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
$$$$
COVPDB348
  Mrv2015 05262115473D          

 31 33  0  0  1  0            999 V2000
    1.6236   -2.2996   -5.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3902   -2.4625   -4.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9786   -2.0403   -4.8941 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9652   -0.5356   -5.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1812   -2.3945   -3.9448 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2632   -3.8102   -3.7243 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5633   -4.4659   -2.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6054   -5.7154   -2.6516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8486   -3.8077   -1.2832 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1322   -4.7099   -0.2010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8841   -4.0099   -0.1308 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7831   -2.9467    0.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0888   -3.1885    2.0615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069   -1.7485    0.4635 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0554   -0.6295    1.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2224    0.3505    0.5707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0923    0.0005    0.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793    0.8954   -0.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    2.1545   -0.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0694    2.5219   -0.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7201    1.6274    0.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5167   -1.9199   -4.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -1.0271   -3.7206 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1991   -2.3487   -5.5643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7469   -3.3479   -6.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9506   -3.6656   -7.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7639   -2.3664   -7.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4663   -1.7844   -5.9615 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5361   -2.0905   -4.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1805   -1.0915   -4.3321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8450   -3.2720   -4.7063 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
  5 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
$$$$
COVPDB349
  Mrv2015 05262116033D          

 33 37  0  0  1  0            999 V2000
    3.4516   -1.5456    8.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690   -2.2296    7.3391 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3904   -1.6238    7.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1077   -3.3883    6.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3306   -4.0265    5.9458 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4026   -3.9035    6.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5251   -5.0254    7.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6328   -6.0249    7.9612 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5061   -3.2886    6.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5260   -2.0869    5.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4448   -1.4432    5.1061 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6512   -1.3234    5.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2106   -0.2032    4.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8275   -0.3134    4.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9547    0.6067    3.8636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8809    0.4525    3.0188 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3222   -0.7112    2.3198 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4590   -0.6293    0.7601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4811   -1.6003    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5164   -3.0580    0.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5560   -3.1365    2.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -2.1918    2.7517 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0721   -2.7352    2.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1379    1.8961    4.2036 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1482    2.5839    3.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376    1.7029    2.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8672    3.9627    3.7431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7474    4.4469    3.1370 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9169    3.6226    2.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1790    2.2522    2.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1180    1.7467    1.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7275    2.8095    1.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264    3.9277    1.8168 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  6  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 11 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 15 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 16 26  4  0  0  0  0
 25 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 26 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 29 33  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  33
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB34
  Mrv2015 05262115563D          

 19 20  0  0  0  0            999 V2000
    5.5469    1.3713    0.3769 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3987    2.6223    0.1435 B   0  0  0  0  0  0  0  0  0  0  0  0
    7.8984    2.5810    0.4538 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6830    4.0214   -0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5363    5.1594    0.0464 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8790    6.7292   -0.4159 S   0  0  2  0  0  0  0  0  0  0  0  0
    6.8320    7.8511    0.2216 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4110    6.8899    0.2093 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8661    6.9013   -2.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7114    7.3584   -2.8391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6982    7.4850   -4.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8441    7.1662   -5.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0036    6.7181   -4.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0159    6.5880   -2.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8215    7.2986   -6.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7779    7.6684   -7.1772 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1755    7.6723   -8.4094 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4195    7.3196   -8.4751 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8284    7.0863   -7.2749 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 15 19  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  19
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB350
  Mrv2015 05262116053D          

 36 38  0  0  1  0            999 V2000
    8.4934   -0.8189  -11.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6383   -1.3864  -10.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5978   -0.2814  -10.8173 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8960    0.9934  -10.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1587    2.0596  -10.0777 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2168   -0.6235  -10.9579 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4401   -1.1361   -9.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9336   -1.3796   -8.8360 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9880   -1.3771  -10.1756 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6883   -2.4909  -11.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1582   -3.9478  -10.8821 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5295   -3.9735  -10.7297 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8212   -4.9008  -12.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5208   -4.4983   -9.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3691   -0.0727  -10.5581 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9056    0.1251  -10.3309 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4876    1.5169  -10.8875 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7819    1.6036  -12.2286 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1352    2.5460  -10.2458 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1330    1.7241  -10.7626 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4920   -0.0483   -8.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3094   -0.7542   -8.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0694   -0.9500   -7.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7427   -0.4709   -6.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.2513   -6.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2736    0.4700   -7.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4005   -0.7057   -4.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2982   -1.3713   -3.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9422   -1.6302   -2.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150   -1.2230   -2.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1949   -0.5215   -2.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8418   -0.2672   -4.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7702   -1.5573   -0.4395 S   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3650   -1.6758   -0.2982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1084   -2.9304    0.0641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1819   -0.1899    0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  3  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 24 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
 30 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  2  0  0  0  0
 33 36  1  0  0  0  0
M  END
$$$$
COVPDB351
  Mrv2015 05262116053D          

 28 30  0  0  0  0            999 V2000
    1.6743   -0.1528   -0.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2494    0.0136   -0.1382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1868    0.6444    0.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3389    2.0446    1.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    2.6883    2.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0834    4.0320    2.0985 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6469    4.7119    3.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0505    4.0048    4.2182 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9236    2.6538    4.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4305    2.0082    5.4182 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3941    2.5489    6.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0869    1.4069    7.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3237    1.8661    7.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8950    0.7510    8.6101 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0622    0.7621    9.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7160    1.8263    9.4351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5707   -0.3817    9.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0061   -1.5966    9.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3035    1.9407    3.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0990    0.5410    3.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5591   -0.1072    2.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3811   -1.4644    2.1489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5714   -2.1896    1.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8241    6.0683    3.0676 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9794    6.7936    1.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4642    8.1880    2.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8764    8.3348    3.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8810    6.8953    4.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
  9 19  4  0  0  0  0
  5 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
  3 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
$$$$
COVPDB352
  Mrv2015 05262115533D          

 26 28  0  0  1  0            999 V2000
    1.5727   -0.2765    0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1587   -0.0080    0.0791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3231    0.7044    1.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6652   -0.0576    2.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1809    0.5590    3.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3527    1.9474    3.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0223    2.7245    2.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2543    4.0719    2.4385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1325    4.8107    2.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5339    2.1193    1.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3305    2.9074   -0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7190    4.0997   -0.0945 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2328    2.4203   -1.2139 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3212    3.0722   -2.4880 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8936    3.7161   -3.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5767    4.7034   -2.6529 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138    2.0718   -3.6758 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0925    2.7665   -3.9098 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6013    0.3979   -3.5244 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3486    0.8244   -3.9152 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0016   -0.2617   -4.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1054    0.8735   -2.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2473    2.2573   -4.5654 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0750    2.3339   -6.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9584    3.0238   -6.7944 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1206    1.7716   -6.6206 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  4  0  0  0  0
  3 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  CHG  1  25  -1
M  END
$$$$
COVPDB353
  Mrv2015 05262116063D          

 25 25  0  0  1  0            999 V2000
    1.2475    7.9005   -2.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0145    7.0078   -2.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4481    6.2454   -3.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862    5.3880   -3.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483    5.0613   -2.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7942    3.8486   -1.4976 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7908    3.0839   -0.8051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1526    2.4330   -1.9172 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2034    1.2729   -1.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9061    0.1948   -0.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9944   -0.0207    0.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4367    0.7865    1.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0111    0.9500    1.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9398   -0.0089    1.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7044   -1.4363    1.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4689   -2.1586    0.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4963   -3.4934    0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8439   -4.5034    1.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2184   -4.4408    1.9764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3513   -4.5793    1.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617   -4.8550   -0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4395   -6.3738   -0.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2993   -6.6417   -1.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2596   -7.3016   -2.6143 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2806   -6.2694   -2.5517 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
$$$$
COVPDB354
  Mrv2015 05262116063D          

  9  9  0  0  1  0            999 V2000
   -8.6913    5.3071   -2.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2023    5.3085   -3.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3360    4.3792   -2.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8407    4.3755   -2.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9744    3.4414   -1.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4849    3.4337   -2.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6439    2.5033   -1.4312 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1589    2.7538   -1.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705    3.0949   -0.2569 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
$$$$
COVPDB355
  Mrv2015 05262116053D          

 15 17  0  0  1  0            999 V2000
   -0.2873   -0.7713   -3.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4817   -0.3944   -4.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5959   -1.1650   -4.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9408   -2.3113   -3.7964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1785   -2.6785   -2.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0683   -1.8983   -2.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7287   -2.2341   -1.0713 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0140   -2.4909    0.1297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7572   -1.2785    0.1154 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0103   -0.0045    0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4258    0.0285    0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1158    1.2510    0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4004    2.4600   -0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0059    2.4457    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6952    1.2199    0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
M  END
$$$$
COVPDB356
  Mrv2015 05262115543D          

 23 22  0  0  1  0            999 V2000
  -16.1826    4.6656    3.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1449    3.5438    3.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5218    3.5539    1.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4912    2.4083    1.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8924    2.4111    0.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9100    1.3646    0.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6510    1.4245    0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6201    0.4452    0.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4588    0.1680   -1.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2619    1.0635   -2.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1419    2.5125   -1.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0571    3.0491   -2.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7447    2.9195   -2.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2011    2.2405   -1.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6494    2.1850   -1.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1351    1.4573   -0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5889    1.4247    0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0758    0.7123    1.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3593    0.6788    1.4408 P   0  0  2  0  0  0  0  0  0  0  0  0
    0.0922   -0.0509    2.6353 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1785    2.1277    1.4714 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1890   -0.0506    0.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6171   -0.0528   -0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$
COVPDB357
  Mrv2015 05262116063D          

  7  7  0  0  1  0            999 V2000
   -1.4953    3.5289    3.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2211    3.3199    2.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7159    1.8884    1.9255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4516    1.6760    0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0534    0.2441    0.1206 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8736   -0.0052   -1.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759    0.0540    0.1786 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
$$$$
COVPDB358
  Mrv2015 05262116043D          

 37 40  0  0  0  0            999 V2000
   -2.7461    1.4230    0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8012    0.3889    0.2146 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1253   -0.8907   -0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3350   -1.2149   -0.2251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1121   -1.8512   -0.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3905   -3.2337   -0.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3576   -4.1399   -0.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9572   -3.6613   -1.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064   -2.2898   -0.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1810   -1.4476   -0.5424 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6263   -5.4788   -0.9624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9128   -5.8634   -2.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1526   -5.5558   -2.8467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4428   -5.9937   -4.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5144   -6.7656   -4.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2753   -7.0885   -4.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0242   -6.6290   -2.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9446   -7.1607   -6.1116 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3116   -7.8231   -7.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0307   -7.9170   -7.2968 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5509   -8.5821   -8.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3033   -9.1857   -9.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1996   -9.8153  -10.3362 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6963   -9.0998   -9.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1278   -8.4218   -8.0075 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5600   -9.7115   -9.9684 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9306   -9.7410   -9.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5619  -10.8601  -10.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9614  -10.9906  -10.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7510  -10.0027   -9.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1558   -8.8607   -9.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7480   -8.7375   -9.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9813   -7.9646   -8.6805 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8057   -6.6197   -8.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8515   -6.0004   -9.0150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6899   -5.8712   -7.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6765   -6.3710   -6.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  1  0  0  0  0
 22 24  4  0  0  0  0
 24 25  4  0  0  0  0
 19 25  4  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
$$$$
COVPDB359
  Mrv2015 05262116043D          

 31 33  0  0  0  0            999 V2000
    2.1994    0.5495    0.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7999    0.6300    0.0074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0284    1.0572    1.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5111    0.9982    0.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8643   -0.3764    0.4278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2067   -0.5867    0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0455   -0.6576    1.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4221   -0.8863    1.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9874   -1.0758   -0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1300   -1.0481   -1.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7524   -0.7907   -1.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3302   -1.3185   -0.0665 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1851   -1.4585   -1.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0028   -0.9964   -2.3743 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9399   -1.1873   -3.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1381   -1.8669   -3.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0389   -2.0451   -3.9697 F   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3225   -2.3464   -1.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3305   -2.1190   -0.8261 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4472   -3.0489   -1.3939 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7887   -3.6072   -0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6208   -4.7459   -0.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9932   -5.4180    0.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5448   -4.9554    2.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7311   -3.8072    2.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3743   -3.1369    1.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3010   -3.4474    3.5270 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9237   -2.2125    3.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0799   -1.1852    3.2847 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3773   -2.0285    5.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0578   -3.0078    6.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 13 19  4  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
$$$$
COVPDB35
  Mrv2015 05262115563D          

 19 20  0  0  0  0            999 V2000
    5.5858    1.4347    0.4180 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4311    2.6964    0.2241 B   0  0  0  0  0  0  0  0  0  0  0  0
    7.9196    2.6577    0.5828 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7351    4.1011   -0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5852    5.2285    0.1482 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9304    6.8147   -0.2690 S   0  0  2  0  0  0  0  0  0  0  0  0
    6.8757    7.9232    0.4050 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4582    6.9569    0.3515 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9223    7.0372   -2.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7535    7.4347   -2.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674    7.6001   -4.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9581    7.3540   -4.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0685    6.9825   -4.1262 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    6.8258   -2.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0308    7.4728   -6.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0516    7.8437   -7.0608 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5411    7.8146   -8.2590 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7820    7.4422   -8.2211 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0968    7.2298   -6.9900 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 15 19  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  19
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB360
  Mrv2015 05262116043D          

 34 38  0  0  1  0            999 V2000
    1.6340    0.1295   -0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2702    0.0939   -0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9226    0.0409   -0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2205   -0.0779   -0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6932   -0.5248   -1.2478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0412    0.1943    0.8980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6247    0.8829    2.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8643    0.8944    3.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7120   -0.2714    2.4683 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4204   -0.2013    0.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0804   -0.2584    2.9486 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5179   -0.8990    4.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7880   -1.5761    4.8278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8428   -0.7087    4.2579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2642    0.0780    3.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1603    0.3755    2.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5254    0.5905    2.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6650    0.3048    3.5214 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5964    1.3914    1.7740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5009    1.6939    1.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2878    1.1815    1.3603 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5891   -1.2337    5.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7162   -2.6347    5.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5254   -3.1840    6.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2343   -2.3426    7.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0677   -0.9452    7.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2474   -0.3942    6.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0699   -2.8761    8.2543 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3311   -3.0594    7.7444 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6934   -4.2949    7.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9756   -4.4742    6.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9117   -3.4242    6.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5697   -2.1997    7.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2873   -2.0215    7.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  3  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  2  0  0  0  0
 12 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 15 17  4  0  0  0  0
 17 18  1  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 14 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
M  END
$$$$
COVPDB361
  Mrv2015 05262116063D          

 21 23  0  0  1  0            999 V2000
    0.1529    0.2475   -0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4763    0.0378   -0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1076   -1.1913    0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3845   -2.1927   -0.1216 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4449   -1.3569    0.4951 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2759   -0.2219    0.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3802    0.0051   -0.1756 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2493   -1.2810   -0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3851   -2.5571   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1784   -2.6384    0.5220 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4216   -3.9795    0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7821    0.3020   -1.4482 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3337    1.5213   -1.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6930    2.6784   -1.2200 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2258    3.9001   -1.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3594    4.0089   -2.6503 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9612    2.8887   -3.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4321    1.6328   -2.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1012    2.7393   -4.3193 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9859    1.4273   -4.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8176    0.7009   -3.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 18 21  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  19
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB362
  Mrv2015 05262116073D          

 23 22  0  0  1  0            999 V2000
   -0.0538    2.3232   -3.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0836    1.5071   -2.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9594    0.8804   -1.9368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2289    1.4543   -1.4935 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5397    0.6372   -0.3501 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3696    0.2901    0.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.5321    1.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4011   -0.9868    2.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002   -2.0715    3.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1633   -2.5205    4.5572 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6608    1.3226    0.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8053    0.8099    0.2971 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4447    2.4874    1.0223 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4529    3.2486    1.6980 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8046    4.2570    2.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2294    3.6023    3.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    4.6405    4.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3109    4.0060    6.2147 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6076    4.5374    7.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3501    3.7914    8.2634 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1565    5.7330    7.2022 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2588    3.9532    0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4353    3.6088    0.4230 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 14 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
$$$$
COVPDB363
  Mrv2015 05262116063D          

 25 25  0  0  1  0            999 V2000
  -10.3143    1.8239    7.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8409    2.1536    6.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9777    2.1521    8.0407 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.7452    0.8666    8.6361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6117    1.4957    8.0157 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5027    1.9659    8.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9684    3.2735    8.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9302    3.5336    7.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1272    2.5586    7.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8847    1.8149    6.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4804    2.3114    4.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4147    3.6889    4.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3970    3.7776    3.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3454    3.5293    2.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9997    3.1356    2.6752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8755    1.8566    3.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2911    0.6492    2.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9337    0.3553    1.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4820   -0.8968    1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2573   -1.1189    0.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1834   -0.1343    0.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1409   -0.6065   -0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1604    0.4632   -0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826    1.0686   -1.2058 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6399    0.8443    1.0206 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
$$$$
COVPDB364
  Mrv2015 05262115523D          

 13 13  0  0  1  0            999 V2000
    1.5219   -5.0070   -1.9017 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9162   -3.9930   -2.6096 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4430   -4.1220   -2.4153 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4009   -2.6155   -2.0721 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9410   -2.4105   -0.7403 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9081   -1.5223   -2.8815 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3165   -1.5761   -4.2694 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8249   -0.2956   -4.9931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3914    0.8748   -4.4098 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7833   -2.8863   -4.9303 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6462   -2.8850   -4.9979 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2634   -4.1255   -4.1214 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6972   -5.3187   -4.6674 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
$$$$
COVPDB365
  Mrv2015 05262116033D          

 22 23  0  0  1  0            999 V2000
   -0.9017    3.7811    8.3574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1814    3.1670    7.2377 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4600    3.2968    6.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6249    4.1099    6.0263 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3389    4.2844    4.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3077    5.0759    4.9510 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    3.6355    3.7270 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0838    2.7740    3.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8430    2.5927    4.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8809    1.7993    4.9264 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6970    3.8680    2.4816 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9949    3.0443    2.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1315    2.9171    0.8128 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7784    4.0634    0.2635 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6562    2.8548    0.3523 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1055    1.4073    0.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3005    1.4381   -0.0366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0373    0.0189   -0.0138 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3188   -0.9808   -1.0116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9722   -0.5893    1.4487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4388    0.1916   -0.4118 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9022    3.6242    1.3029 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  2  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  3  9  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 15 22  1  0  0  0  0
 11 22  1  0  0  0  0
M  END
$$$$
COVPDB366
  Mrv2015 05262116043D          

 30 34  0  0  0  0            999 V2000
    1.4746   -0.0219    0.5047 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3373    0.0449    0.3683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9451    0.1002    0.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5867   -0.9099   -0.4107 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9372   -0.9383   -0.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6172    0.1282   -0.0561 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0147    1.1786    0.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6618    1.1452    0.6984 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7715    2.2391    0.9911 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0816    2.0461    1.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2031    2.8576    2.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8059    4.2307    2.6929 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4687    4.3754    2.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3089    3.6004    0.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5949   -1.9683   -1.2426 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9800   -1.7248   -1.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9911   -0.8619   -2.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0020   -1.2973   -4.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9174   -0.2081   -4.9400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8664   -0.1190   -6.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7462    1.1586   -6.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6968    2.2986   -6.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7626    2.1640   -4.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8688    0.8655   -4.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9144    0.4835   -2.8335 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8635   -3.1452   -1.7510 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7043   -4.4044   -2.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7528   -5.6113   -2.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5292   -5.2161   -1.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7815   -3.7759   -0.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 24 25  4  0  0  0  0
 17 25  4  0  0  0  0
 15 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
$$$$
COVPDB367
  Mrv2015 05262116043D          

 27 30  0  0  0  0            999 V2000
   -4.3238   -2.6500   -1.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3119   -3.5239   -1.5271 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5042   -3.4227   -2.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7232   -2.3747   -3.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7343   -1.5031   -3.2805 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500   -1.5911   -2.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6265   -0.5874   -1.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5581    0.3585   -0.8708 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7551    1.1899   -0.6852 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.7747    2.4105    0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2631    2.8038    0.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0123    1.4555    0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0176    0.4086   -0.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4117    0.4925   -0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4442    0.7770    1.2353 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3101    0.8767    1.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3504    1.1908    3.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3683    1.4759    4.3405 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1128    0.6495    1.3864 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0217    0.3487    0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1796    0.3073   -0.6484 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8105    0.0555   -0.5264 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5637    0.2821   -1.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7312    1.1179   -2.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8321    0.5454   -1.3712 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5533    0.3739    0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2909   -0.5013    0.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  0  0  0  0
 16 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 14 21  4  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
M  END
$$$$
COVPDB368
  Mrv2015 05262116063D          

 20 22  0  0  1  0            999 V2000
    0.2424    1.2475   -1.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2236    0.9368   -0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7248   -0.3465    0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9040   -1.2889   -0.0947 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367   -0.6258    0.4311 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1095    0.3613    0.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3101   -0.1165   -0.4454 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7753   -1.5341   -0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5870   -2.5313    0.0039 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4346   -1.9560    0.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0197   -3.7698    0.5815 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9948   -4.9976   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7493   -5.1874   -1.3323 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7182   -6.4247   -1.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9306   -7.5388   -1.1515 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1731   -7.4054    0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2154   -6.1499    0.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3968   -8.3416    1.1118 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5811   -7.7351    2.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4766   -6.3561    2.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 17 20  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  18
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB369
  Mrv2015 05262116063D          

 22 25  0  0  1  0            999 V2000
   -0.1499   -0.2040    0.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1287   -0.2231    0.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9940   -1.3203    0.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4585   -2.4515    0.3181 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3846   -1.2340    0.5519 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1011    0.0218    0.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1677   -2.3851    0.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5610   -2.5254    0.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3323   -1.1690    0.2737 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4567   -0.0727   -0.3792 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5392   -1.2010   -0.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8899   -0.9317   -2.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5781   -0.3970   -1.7943 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6158   -0.2649   -2.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3191   -0.0353   -2.4314 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2763    0.0900   -3.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4896   -0.0118   -4.6297 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7463   -0.2367   -5.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301   -0.3706   -4.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1590   -0.3607   -6.3437 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4833   -0.5728   -6.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9349   -0.5871   -5.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 19 22  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  20
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB36
  Mrv2015 05262115563D          

 20 21  0  0  0  0            999 V2000
    7.3683   -0.1935   -5.5914 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0493    0.5697   -5.4493 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.1801    0.7952   -6.6891 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5927    1.1802   -3.9928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6624    2.3011   -4.2182 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0524    3.0161   -2.7262 S   0  0  2  0  0  0  0  0  0  0  0  0
    3.1636    4.2930   -3.1178 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2905    3.5045   -1.8304 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0456    1.8465   -1.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940    1.6811   -0.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4054    0.7456    0.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4562   -0.0630   -0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7147   -1.0081    0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4418   -1.6070   -0.0141 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7711   -2.3740    0.9744 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1186   -2.3020    1.9110 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0291   -1.4783    1.5211 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2995    0.1244   -1.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2087   -0.7587   -2.8251 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0879    1.0777   -2.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
 12 18  4  0  0  0  0
 18 19  1  0  0  0  0
 18 20  4  0  0  0  0
  9 20  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  17
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB370
  Mrv2015 05262116063D          

 20 22  0  0  0  0            999 V2000
    4.8892   -6.6525   -3.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0934   -5.6007   -2.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8611   -5.6788   -2.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4014   -6.7883   -1.9413 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595   -4.5257   -2.1013 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0065   -4.3343   -1.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1999   -3.2348   -1.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9626   -2.9278   -1.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3462   -3.7295    0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5790   -4.8583    0.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106   -5.1280   -0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9951   -5.6926    1.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3730   -5.1365    2.6905 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7899   -5.8778    3.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8469   -7.2342    3.6688 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4963   -7.8385    2.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704   -7.1005    1.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5033   -9.1399    2.1849 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1010   -9.2742    0.9087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8334   -8.0133    0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 17 20  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  18
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB371
  Mrv2015 05262116063D          

 23 23  0  0  1  0            999 V2000
    3.4971    8.2866   -1.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3829    7.4720   -2.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8426    6.7087   -3.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0747    5.9095   -4.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6546    5.6564   -4.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4278    4.4481   -3.2547 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8133    3.7606   -3.4600 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759    3.0452   -3.8321 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7771    1.8560   -2.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1860    0.7696   -2.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2111    0.5360   -2.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6028    1.3375   -0.9978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6173    1.4409    0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0686    0.4368    0.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.9843    0.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4529   -1.6752   -0.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4516   -3.0042   -0.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3395   -3.9585    0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034   -5.4490   -0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7967   -6.3917    0.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5917   -7.8243    0.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6513   -8.6292    0.3396 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5547   -8.3261    0.6149 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
$$$$
COVPDB372
  Mrv2015 05262116063D          

 23 23  0  0  1  0            999 V2000
    3.7474    8.2970    1.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007    6.8156    1.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3808    6.5563    2.8778 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2461    6.6825    3.7492 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7529    5.3538    3.5552 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4412    4.7298    4.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7096    4.1109    4.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9148    2.8305    4.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9061    1.7880    3.9383 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9601    2.0360    2.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2241    2.0584    1.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4994    1.7536    0.9052 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3219    1.1258   -0.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0166   -0.1647   -0.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8143   -1.2174    0.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6657   -1.0427    1.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3636   -0.9855    0.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7970   -1.0965   -0.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5581   -2.5712   -0.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2776   -2.6940   -2.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0192   -4.0880   -2.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336   -4.7745   -3.5166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0468   -4.6546   -2.4626 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
$$$$
COVPDB373
  Mrv2015 05262116093D          

 10 10  0  0  0  0            999 V2000
   -2.8808   -0.6071   -0.0167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6734   -0.4663   -0.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2884   -1.4458   -1.2849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9640    0.7097   -0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1296    1.1780   -1.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6907    2.4678   -0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8675    2.7215   -1.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592    1.4661   -2.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8639    0.6202   -2.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6817   -0.4926   -2.6412 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
$$$$
COVPDB374
  Mrv2015 05262116063D          

 19 20  0  0  0  0            999 V2000
    3.6768   -7.7093    2.7689 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6317   -7.2185    1.3195 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.5403   -7.8597    0.2700 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7647   -5.9600    0.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3840   -4.7985    0.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6074   -3.6717    0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111   -3.6921    0.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5836   -4.8747    0.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1008   -4.9596    0.9446 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3652   -6.0018    1.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4816   -2.5616    0.0700 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3788   -1.7089    1.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4678   -0.5455    0.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1374    0.6236    0.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6391    1.7465    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0340    1.7130    0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6541    0.5496    0.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8794   -0.5789    1.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4949   -1.6485    1.4394 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
  4 10  4  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 18 19  1  0  0  0  0
M  END
$$$$
COVPDB375
  Mrv2015 05262116063D          

 13 14  0  0  0  0            999 V2000
    1.8046   -1.5029    0.1386 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5481   -0.0817   -0.3655 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.6064    0.6444   -1.2005 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2335    0.6597    0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0204    0.1301   -0.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3045    1.8357    0.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8761    2.4830    1.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1416    1.9639    0.9045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2137    0.7708    0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3381    2.6039    1.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5874    2.0713    0.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6563    0.8949    0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4767    0.2456   -0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  5  9  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  9 13  4  0  0  0  0
M  END
$$$$
COVPDB376
  Mrv2015 05262116063D          

 17 18  0  0  0  0            999 V2000
    2.7620    0.1731   -0.1312 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4435   -0.4554    0.3212 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276   -1.9042    0.8177 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0949    0.3373    0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8963   -0.1664   -0.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1112    0.5279   -0.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3063    1.7593   -0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3232    2.2636    0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6200    3.8732    1.4956 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1234    1.5521    0.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875    0.0207   -1.7444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9385   -0.7843   -1.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0864   -0.2419   -0.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9367   -1.0620    0.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6595   -2.4342    0.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5293   -2.9854   -0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6779   -2.1670   -0.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
  4 10  4  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
M  END
$$$$
COVPDB377
  Mrv2015 05262116063D          

 11 11  0  0  0  0            999 V2000
    1.3418    2.8449    0.6313 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2616    2.5242   -0.4059 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0729    3.5509   -1.4903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5957    1.2073   -0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9860    1.2757   -0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7354    0.0940    0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1121   -1.1758    0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9471   -2.3960    0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7114   -1.2356   -0.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2204   -2.8465   -0.3288 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0343   -0.0487   -0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
  4 11  4  0  0  0  0
M  END
$$$$
COVPDB378
  Mrv2015 05262116063D          

 18 19  0  0  0  0            999 V2000
   -1.6035   -3.0957    2.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5645   -1.6272    3.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4441   -1.1107    4.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4198    0.2766    4.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5222    1.1704    3.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4786    2.7245    3.7504 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1383    3.4585    3.6868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7753    3.5122    3.9395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6397    0.6743    2.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242   -0.7161    1.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6709   -1.1514    0.6627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3725   -1.1633    0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5493   -1.5927   -1.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6720   -0.6333   -2.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8641   -1.0345   -3.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9340   -2.4026   -4.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8093   -3.3684   -3.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6224   -2.9658   -1.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  4  0  0  0  0
  9 10  4  0  0  0  0
  2 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
M  END
$$$$
COVPDB379
  Mrv2015 05262115593D          

 14 15  0  0  0  0            999 V2000
    1.4810   -0.0151   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0418    0.0292   -0.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4392    0.6594    1.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7054   -0.0761    2.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1834    0.5762    3.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6902    2.0455    1.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    2.7272    2.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4064    1.9728    3.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3919    4.1406    2.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    4.7456    1.1426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6389    4.8621    3.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8268    6.1980    3.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6339    4.1592    4.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9408    2.6381    4.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  3  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  5  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$
COVPDB37
  Mrv2015 05262115563D          

 20 21  0  0  0  0            999 V2000
    7.5046   -0.8981   -5.2465 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2546   -0.0155   -5.2065 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.5012    0.2913   -6.5041 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8083    0.6935   -3.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9553    1.8668   -4.0569 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4752    2.7115   -2.5807 S   0  0  2  0  0  0  0  0  0  0  0  0
    3.7586    4.0737   -3.0333 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8090    3.0792   -1.7703 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3261    1.7162   -1.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3266    1.0521   -2.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4175    0.1831   -1.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4678   -0.0301   -0.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338    0.6791    0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3553    1.5480   -0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4522    2.3555    0.7595 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5809   -0.9355    0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3978   -1.6476   -0.3245 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9563   -2.3551    0.6028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3799   -2.1305    1.7397 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5570   -1.2696    1.5465 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  20
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB380
  Mrv2015 05262116043D          

 18 19  0  0  0  0            999 V2000
    1.5793   -2.0137   -4.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5155   -2.6855   -5.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5424   -1.9586   -6.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6113   -0.5540   -6.7539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6728    0.1237   -5.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6713   -0.6037   -4.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7296    1.4768   -5.4999 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992    2.1759   -4.3388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8505    3.5304   -4.3016 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4933    4.4013   -5.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9978    3.9890   -6.3702 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6408    5.7729   -5.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3056    6.3787   -4.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8212    1.4977   -3.1620 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7583    0.1405   -3.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7345   -0.4709   -1.8734 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0170   -0.5206   -1.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8693   -1.3018    0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 14  4  0  0  0  0
 14 15  4  0  0  0  0
  6 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$
COVPDB381
  Mrv2015 05262116063D          

 15 16  0  0  0  0            999 V2000
   -3.1651    6.6456    0.2125 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7306    6.1394    0.0531 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7984    6.7884   -0.9722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2747    4.8373    0.8128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3309    4.7913    2.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9134    3.6363    2.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9861    3.5860    4.7544 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4453    2.5231    2.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3989    2.5356    0.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8145    3.7197    0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    1.4259    0.0341 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076    0.0777    0.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0936   -0.7544   -0.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9144    0.0333   -1.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7085    1.4891   -1.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  4 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
$$$$
COVPDB382
  Mrv2015 05262116043D          

 20 22  0  0  0  0            999 V2000
    0.9501    2.0872   -0.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6650    0.9098   -1.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9533   -0.3261   -1.2927 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8113   -0.6514    0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0723    0.4813    0.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7031    1.7571    0.5927 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9740    2.6188    1.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1955    3.3043    1.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2419    4.1913    2.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4136    3.2062    1.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4466    4.0360    1.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8293    4.9336    2.9790 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0283    2.8238    2.5423 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0644    3.6614    3.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    4.3630    3.8048 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9318    3.8525    4.5175 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0845    3.1321    4.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3181    2.1239    3.9583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0369    3.4756    5.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0278    4.5965    6.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  9 12  4  0  0  0  0
  7 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
  9 15  4  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
$$$$
COVPDB383
  Mrv2015 05262116043D          

 24 26  0  0  0  0            999 V2000
    6.7378    2.1503   -5.2662 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0843    0.5314   -5.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    0.1484   -4.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6698   -0.7988   -3.6074 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1353    0.8609   -4.0760 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2326    0.7902   -3.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2194    1.7719   -3.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2341   -0.1420   -1.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2834   -0.0608   -0.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2987    0.9553   -0.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    1.8630   -2.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3516    1.1515    0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5362    2.1765   -0.0280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5654    3.0122   -1.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3372    2.8479   -2.0894 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3717    0.3318    1.1867 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0194    0.5673    2.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0752    1.4347    2.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3942    1.6556    4.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3839    2.5156    4.5550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6818    0.9786    5.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3555    0.0970    4.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6915   -0.1065    3.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9900   -1.1535    3.1763 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  1  0  0  0  0
 19 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 17 23  4  0  0  0  0
 23 24  1  0  0  0  0
M  END
$$$$
COVPDB384
  Mrv2015 05262116063D          

 21 22  0  0  0  0            999 V2000
    9.8289   -3.6533    4.6376 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2923   -2.7465    5.7489 B   0  0  0  0  0  0  0  0  0  0  0  0
   10.2544   -1.8220    6.4994 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7774   -2.8389    6.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4620   -3.2260    7.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202   -3.3163    7.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0913   -3.0256    6.9877 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3692   -2.6283    5.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406   -2.5410    5.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2822   -2.3504    4.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3296   -1.9752    3.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2517   -1.6924    2.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -1.7871    3.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.5070    2.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0812   -1.1211    0.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4096   -1.0155    0.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4847   -1.2943    1.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0313   -1.1189    0.5792 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101   -0.8085   -0.1438 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5903   -1.8917   -1.1114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5420    0.6424   -0.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
$$$$
COVPDB385
  Mrv2015 05262116063D          

 13 14  0  0  0  0            999 V2000
   -0.4914   -1.9476    0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4637   -2.9458    0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8228   -2.6129    0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2087   -1.2800    0.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2357   -0.2690    0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8365   -0.5806    0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6627    1.0593   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7277    2.0819   -0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3534    1.7980   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4596    2.8699   -0.3918 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1266    0.4693   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5405    0.2355   -0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4016    1.1308   -0.1817 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
$$$$
COVPDB386
  Mrv2015 05262116063D          

 14 15  0  0  0  0            999 V2000
    1.2596   -0.6631   -0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1923   -0.0084    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1871    1.4000    0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0135    2.1446    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9594    3.5022    0.0349 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3596    2.0885   -0.0566 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4238    3.4444   -0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2143    4.1794   -0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6307    4.1673   -0.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8287    3.5539   -0.2042 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5904    5.5254   -0.2093 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4175    6.2111   -0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    5.5359   -0.0736 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4236    7.5518   -0.1990 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  3  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  5  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 12 14  1  0  0  0  0
M  END
$$$$
COVPDB387
  Mrv2015 05262116063D          

 11 11  0  0  0  0            999 V2000
    1.4787   -0.0279   -0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0380   -0.0258    0.0072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4520    0.6208    1.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7115    2.0060    1.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1796    2.6988    2.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3988    4.1000    2.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1999    4.7892    1.1482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4093    1.9567    3.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8519    2.5490    4.5383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1792    0.5682    3.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7104   -0.0983    2.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
  3 11  4  0  0  0  0
M  END
$$$$
COVPDB388
  Mrv2015 05262116073D          

 33 34  0  0  1  0            999 V2000
   -5.5143   -8.8146    8.6646 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2892   -7.5206    8.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7439   -7.0301    9.7437 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6375   -6.7881    7.6442 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6044   -5.3607    7.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8007   -4.8998    6.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0914   -3.3777    5.9701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3890   -2.9535    4.4949 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1432   -2.9615    3.7724 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9924   -2.9615    2.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9801   -2.9154    1.6461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6349   -2.9941    1.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2436   -1.6770    1.4552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9555   -1.2746    1.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0054   -2.0743    1.4530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6839    0.1246    0.8437 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1205    0.4366   -0.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8217    0.4238   -1.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2059    0.5535   -0.4171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4206    0.7396   -0.6525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941    0.4175    0.8148 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0797   -1.6335    4.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4138   -0.6256    4.1018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3913   -1.3404    4.6974 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4915   -2.0732    5.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5549   -3.4413    5.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7657   -4.0422    5.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9765   -3.3066    5.8643 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9110   -1.9392    5.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6975   -1.3389    5.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1483   -3.8726    6.2144 N   0  3  0  0  0  0  0  0  0  0  0  0
  -14.2444   -3.2278    6.2113 O   0  5  0  0  0  0  0  0  0  0  0  0
  -13.2491   -4.9909    6.5409 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 16 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  CHG  2  31   1  32  -1
M  END
$$$$
COVPDB389
  Mrv2015 05262116063D          

 12 12  0  0  0  0            999 V2000
   -4.1876    1.9260   -0.5610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1537    1.1301   -0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4668   -0.0398    0.1277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8090    1.6030   -0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5620    2.9875   -0.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2518    3.4861   -0.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8402    2.6119   -0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    1.2250   -0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7549    0.3463   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9424    0.7356   -0.1006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    0.7352   -0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8861   -0.5952    0.1647 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  4  0  0  0  0
  4 11  4  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$
COVPDB38
  Mrv2015 05262115563D          

 23 24  0  0  0  0            999 V2000
    1.9050    2.7223   -4.3428 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0855    2.9747   -5.2830 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.9528    4.0345   -6.3806 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4224    2.0232   -5.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1394    2.0623   -6.4781 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5590    1.0114   -6.5199 S   0  0  2  0  0  0  0  0  0  0  0  0
    7.1011    1.0277   -8.0298 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0642   -0.4719   -6.1678 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8188    1.6516   -5.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9210    3.0586   -5.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8054    3.7113   -4.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6296    2.9687   -3.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5773    1.5577   -3.7475 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7018    0.8692   -4.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7388   -0.6275   -4.6811 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6268   -1.1507   -4.0680 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8191   -1.2006   -4.0513 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8312   -1.0829   -5.9744 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4812    3.6282   -2.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6475    4.9501   -2.5977 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5039    5.1269   -1.6429 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8913    3.9825   -1.1773 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2767    3.0598   -1.8341 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 19 23  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  23
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB390
  Mrv2015 05262116023D          

 35 39  0  0  1  0            999 V2000
    1.7023    0.0805   -2.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2607    0.0325   -1.3459 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5709   -0.0141   -1.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6857    0.0060    0.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4521    0.0431    0.8564 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5829    0.0507   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191    0.0794    0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4098   -1.2467   -0.2112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7701   -1.3170   -0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3057   -1.3759    1.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6985   -1.3817    1.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5812   -1.3288    0.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0440   -1.3357   -0.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6488   -1.3408   -1.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0567   -1.3737   -2.7245 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.9800   -1.2959    0.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9088   -0.3621    0.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1493   -0.8352    0.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8529    0.8477   -0.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7047    1.4198   -0.9945 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0277    1.4766   -0.8858 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2322    0.9874   -0.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2943   -0.1685    0.2343 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6813   -2.2442    1.2362 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9618   -1.9891    1.1976 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0084   -2.8513    1.6886 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.6390   -3.5694    3.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8188   -4.4709    3.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1492   -5.5225    2.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0573   -5.1123    0.9391 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4142   -3.8593    0.5662 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4752   -6.0182   -0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9554   -7.1265    0.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3850   -5.8004   -1.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4728   -6.7419   -2.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 17 19  4  0  0  0  0
 19 20  1  0  0  0  0
 19 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 16 24  4  0  0  0  0
 24 25  4  0  0  0  0
 18 25  4  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 26 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
$$$$
COVPDB391
  Mrv2015 05262115443D          

 42 45  0  0  1  0            999 V2000
    5.1488    2.3494    3.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0030    3.0743    2.6317 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2214    4.1012    1.9492 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763    2.6014    2.8256 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4065    3.0626    2.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    4.3542    2.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7156    5.4341    2.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7223    6.6703    2.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370    7.7613    2.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1559    7.6654    3.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8679    8.8893    4.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    8.7840    4.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8666    8.6022    3.0615 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0992    8.8857    5.2730 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1550    6.4259    4.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8691    6.2402    5.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9374    5.1394    6.5051 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4036    5.3470    4.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5376    1.9841    1.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3825    0.8464    2.5798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1242    2.1510    0.8092 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9213    1.1587    0.1337 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5502    1.7919   -1.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5718    0.8894   -1.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9984   -0.4587   -2.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7981   -1.5290   -1.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759   -1.2847   -0.2755 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5146   -2.2765    0.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3461   -3.6728    0.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8358   -4.0733   -0.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9782   -5.3923   -0.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0612   -6.3440   -0.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2417   -5.9287   -0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3761   -4.6214    0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0495   -7.6738   -1.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5892   -7.9043   -2.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6598   -9.2026   -3.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1894  -10.2984   -2.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3454  -10.0948   -1.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4062   -8.7961   -0.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1402   -0.0768   -0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1148   -0.0587   -0.1579 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 10 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 15 18  4  0  0  0  0
  7 18  4  0  0  0  0
  5 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
 32 35  1  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 35 40  4  0  0  0  0
 27 41  1  0  0  0  0
 22 41  1  0  0  0  0
 41 42  2  0  0  0  0
M  END
$$$$
COVPDB392
  Mrv2015 05262116103D          

 34 38  0  0  1  0            999 V2000
   10.4699    2.3973  -11.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0081    2.3299  -11.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2914    2.1308  -12.6780 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4051    2.4853  -10.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1845    2.6837   -9.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5865    2.8521   -7.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1832    2.8404   -7.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3924    2.6369   -8.9565 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9941    2.4522  -10.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6183    3.0344   -6.5812 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9137    2.3691   -5.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1412    2.9317   -4.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4156    3.8980   -5.0349 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7154    3.9247   -6.2995 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1190    2.5351   -3.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.2763   -2.7111 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8858    1.1874   -1.4103 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2105    2.3940   -0.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3507    3.2857   -1.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3883    2.7901    0.3789 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7172    4.0835    0.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8583    4.9770   -0.3793 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6852    4.6262   -1.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8521    5.5636   -2.6332 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    0.0112   -0.6550 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9440   -1.3103   -1.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5017   -2.5039   -0.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9699   -2.5004   -0.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2923   -1.2148   -0.1194 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966    0.0370   -0.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9083   -1.2094    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3225   -2.3111    0.2821 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1063   -0.0592    0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2340   -0.0400    0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 15 19  4  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 19 23  4  0  0  0  0
 23 24  1  0  0  0  0
 17 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
$$$$
COVPDB393
  Mrv2015 05262116063D          

 32 35  0  0  1  0            999 V2000
    1.4503   -0.2733   -0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0344   -0.1988   -0.1071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2986    0.6840    0.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2338    2.0249    0.7879 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655    2.5427    1.8970 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7469    3.9439    2.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0269    1.5643    2.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8154    0.3380    2.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0478   -0.9473    2.5159 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -1.3720    3.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1513   -0.5338    4.5959 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9062   -0.9180    5.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2872   -2.2269    5.7494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9149   -3.1182    4.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1286   -2.7196    3.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2077   -4.4229    4.6411 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5689   -4.8041    3.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9100   -3.7799    2.9315 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0800   -5.2251    5.4691 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3050   -5.7107    4.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3499   -6.4189    6.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3004    0.0014    6.6026 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9392   -0.3608    7.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2416    0.9752    8.5389 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2741    1.2773    9.4746 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    2.0054    7.3909 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1510    1.4166    6.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5018    2.0563    6.7462 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9342    3.0551    5.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2183    4.0695    5.7467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1497    2.9986    5.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9937    1.9579    5.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 15 18  4  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
$$$$
COVPDB394
  Mrv2015 05262116063D          

 30 33  0  0  1  0            999 V2000
    3.5875   -8.0181    6.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4845   -6.7444    6.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1085   -6.2185    4.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7874   -6.9438    4.1951 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9524   -4.8927    4.6918 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4486   -4.2151    3.5280 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2026   -2.6924    3.6388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9682   -2.4510    2.9525 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4640   -3.6123    2.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6472   -4.5966    2.2626 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4112   -4.4126    1.1302 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3346   -1.2305    2.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8402   -0.1513    3.5989 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1829   -1.0642    2.2086 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4961    0.1096    2.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0116    1.1927    2.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1967    1.0447    3.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5763    2.4529    2.9884 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4954    3.0725    3.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5093    2.2415    4.0960 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7127    2.5896    4.8144 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4330    3.1298    6.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5525    3.5917    3.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5954    0.3009    1.3306 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1691   -0.5732    0.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0230   -0.1929   -0.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3994   -1.2836   -1.2540 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8398   -2.3286   -0.7206 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0143   -3.6648   -1.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0844   -1.9565    0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  4  0  0  0  0
 12 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 17 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  1  0  0  0  0
 28 30  4  0  0  0  0
 25 30  4  0  0  0  0
M  END
$$$$
COVPDB395
  Mrv2015 05262116063D          

 30 33  0  0  1  0            999 V2000
    1.4470   -0.3029   -0.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0337   -0.2232   -0.1359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2938    0.6643    0.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897    2.0017    0.7666 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    2.5277    1.8719 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692    3.9288    2.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0247    1.5597    2.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8340    0.3323    2.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0995   -0.9471    2.4731 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7907   -1.3660    3.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2036   -0.5313    4.5643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9269   -0.9317    5.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2627   -2.2504    5.7513 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8856   -3.1320    4.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1393   -2.7235    3.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1121   -4.4490    4.6807 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -4.8344    3.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9016   -3.7934    2.9233 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8662   -5.2577    5.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3310   -0.0325    6.6118 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9758   -0.4168    7.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3079    0.9044    8.5580 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3604    1.1878    9.5197 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2710    1.9550    7.4297 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1874    1.3865    6.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5401    2.0204    6.7600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9540    3.0374    5.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2220    4.0430    5.7839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1658    3.0088    5.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0464    1.9977    5.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 15 18  4  0  0  0  0
 16 19  1  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
$$$$
COVPDB396
  Mrv2015 05262116063D          

 31 42  0  0  1  0            999 V2000
   -1.4800   -2.2734   -9.5419 Ru  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0543   -1.1140   -8.1197 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8598   -0.1933   -7.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3091    0.4301   -6.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0104   -0.6033   -4.9518 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2951    0.0174   -3.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4539   -0.3369   -2.5705 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2452    0.0570   -1.2158 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5216    0.0819   -0.3220 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0454   -1.1091    0.2853 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6360   -1.9559    1.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9981   -1.9827    1.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8941   -1.1748    0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -0.3399   -1.0383 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6910   -2.8347    2.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7843   -2.7745    1.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3929   -2.2989    2.3778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0420   -3.9764    2.1407 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0976   -1.1171   -0.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0742   -1.8985   -0.4683 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2548    0.8187   -3.5433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0271    0.0917   -7.6492 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2973   -0.8072   -9.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7364   -2.1306  -10.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5679   -3.2141   -9.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0185   -2.5894   -7.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7080   -2.3827   -8.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5353   -1.3523  -10.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9914   -2.0470  -11.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8346   -3.5102  -10.9389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2759   -3.7175   -9.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 10 19  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  2  0  0  0  0
  6 21  2  0  0  0  0
  3 22  2  0  0  0  0
  2 23  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
  1 26  1  0  0  0  0
  2 26  1  0  0  0  0
  1 27  1  0  0  0  0
 27 28  1  0  0  0  0
  1 28  1  0  0  0  0
 28 29  1  0  0  0  0
  1 29  1  0  0  0  0
 29 30  1  0  0  0  0
  1 30  1  0  0  0  0
 30 31  1  0  0  0  0
  1 31  1  0  0  0  0
 27 31  1  0  0  0  0
M  RAD  8  23   2  24   2  25   2  26   2  27   2  28   2  29   2  30   2
M  RAD  1  31   2
M  END
$$$$
COVPDB397
  Mrv2015 05262116043D          

 34 37  0  0  1  0            999 V2000
    1.4075   -0.0819   -0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0300   -0.0384   -0.0363 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5003    0.6383    1.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7359    2.0322    1.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2106    2.7206    2.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4592    2.0264    3.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2368    0.6332    3.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3638   -0.2799    4.3792 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7891   -0.0354    5.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9740   -1.4778    3.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6280   -1.3340    2.5633 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7725   -0.0375    2.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8479   -2.7762    4.5788 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6424   -3.2281    4.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8979   -4.5068    5.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3513   -5.0195    5.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6405   -5.9935    6.3315 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6176   -6.9024    6.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -7.2044    5.1976 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9925   -7.5631    7.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4936   -6.5896    8.4122 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6463   -3.7955    3.9532 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6145   -4.5419    4.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0084   -4.2585    5.7212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1547   -5.6742    3.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5433   -5.5946    2.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0527   -6.7183    1.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1776   -7.9567    2.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7846   -8.0495    3.8656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7905   -9.2366    4.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2834   -8.6849    5.9335 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9886   -7.3786    5.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4969   -6.7216    6.7835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2962   -6.9334    4.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  3 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 25 34  4  0  0  0  0
 29 34  4  0  0  0  0
M  END
$$$$
COVPDB398
  Mrv2015 05262116043D          

 33 36  0  0  1  0            999 V2000
    1.5002   -0.3657   -0.0088 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3248    0.0531    0.5662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750    0.7849   -0.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0103    1.8592   -0.8939 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6849    0.3269   -0.7195 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5829    0.9060   -1.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8912    0.0788   -1.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9991    0.7072   -2.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3468   -0.0742   -2.5664 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.3359    0.5707   -3.3878 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5445    0.0157   -3.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6059   -1.2306   -3.8541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7410    0.8014   -3.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0140    0.2030   -3.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2042    0.9116   -3.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1593    2.2480   -3.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9022    2.8856   -3.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7168    2.1788   -3.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3342    2.9267   -2.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4524    3.0967   -3.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6017    3.7733   -3.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6492    4.2802   -1.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5478    4.1146   -0.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4000    3.4425   -1.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9389   -0.0942   -1.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6222    0.9496   -0.6815 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1135    0.5407    0.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9551    1.2128    1.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3563    0.5328    2.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8946   -0.7800    2.8196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0482   -1.4395    1.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6841   -0.7602    0.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9609   -1.1328   -0.3397 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 16 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
  9 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
 32 33  4  0  0  0  0
 25 33  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  33
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB399
  Mrv2015 05262116073D          

 40 43  0  0  0  0            999 V2000
   -5.4365   -2.7363    4.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7804   -2.9141    3.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4770   -3.9246    2.9205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3871   -2.0439    2.1670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7761   -2.2513    0.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5171   -2.3279   -0.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6760   -1.1764    0.1278 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2841   -0.9545    1.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5494   -0.8780    2.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3486   -0.2947   -0.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7826   -0.7386   -2.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5210    0.1627   -3.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8269    1.5361   -3.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3474    1.9959   -1.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6098    1.0856   -0.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6122    3.3256   -1.5614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9340    3.7168   -1.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    2.4583   -3.9975 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0660    2.3361   -5.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2321    1.1602   -5.9423 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6763    1.1124   -7.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0024    2.2981   -7.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5224    2.2404   -9.3261 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4933    0.9898   -9.8981 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8325    2.6524   -9.3509 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7850    3.0483  -10.1577 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8371    3.5248   -7.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655    3.4824   -5.9439 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1951    4.7125   -7.7979 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2135    5.9928   -7.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0415    6.8920   -8.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1955    8.2230   -7.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5082    8.6816   -6.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6324    7.8293   -5.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5013    6.4840   -6.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9983    8.3499   -4.6636 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7322    8.1247   -4.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4960    8.5938   -3.0617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6854    7.4716   -4.8342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4407    7.5183   -6.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 22 27  4  0  0  0  0
 27 28  4  0  0  0  0
 19 28  4  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 30 35  4  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
M  END
$$$$
COVPDB39
  Mrv2015 05262115563D          

 10  9  0  0  0  0            999 V2000
   -3.3514    2.0707    1.9022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8230    2.0724    1.8670 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0883    3.4000    1.6628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0110    0.7351    2.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    0.5309    1.6647 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0732   -0.0844    0.0220 S   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7624   -1.4524    0.0532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6969    0.9972   -0.8768 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7327   -0.3925   -0.6828 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5556   -1.6658    0.2098 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$
COVPDB3
  Mrv2015 05262115403D          

 36 39  0  0  1  0            999 V2000
   -1.0119    8.0217   -9.7817 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9099    7.0683   -9.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7299    6.9192  -10.6575 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9115    6.3105   -8.5925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9574    5.4209   -8.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4879    4.4697   -7.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6881    3.7517   -6.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2669    2.6912   -5.3367 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6288    1.5677   -5.9545 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9405    0.5904   -5.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6120    0.7292   -4.0943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6598   -0.6777   -6.0246 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9582   -1.4072   -6.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2964   -2.3003   -5.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875   -2.2196   -4.3843 N   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8163   -3.3813   -3.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3065   -3.5044   -3.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5893   -3.3895   -4.4646 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9483   -3.1277   -3.9435 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6753   -4.7120   -5.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5359   -5.1297   -6.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8635   -4.5006   -7.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -4.8575   -8.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8721   -5.8630   -7.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5357   -6.5382   -6.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3683   -6.1869   -5.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1698   -2.2153   -5.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9934   -1.7176   -6.0903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1100   -1.7120   -5.1971 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4674    2.1840   -4.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3639    1.6046   -5.2722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6444    2.2824   -3.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7105    1.8113   -2.5337 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6990    1.9838   -1.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5821    2.6343   -0.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5649    2.9989   -2.0323 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 18 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 12 29  1  0  0  0  0
 15 29  1  0  0  0  0
  8 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 32 36  4  0  0  0  0
M  END
$$$$
COVPDB400
  Mrv2015 05262116073D          

 30 31  0  0  0  0            999 V2000
   -0.7927   -9.8497   15.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1178   -9.9079   15.2363 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1979   -9.2630   15.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3509  -10.6122   14.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0235  -11.8454   14.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2184  -12.6645   13.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7373  -12.2667   11.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0580  -11.0326   11.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9053  -10.1821   12.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5254  -10.6248   10.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9160   -9.3562   10.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8303   -8.4972   11.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3089   -8.9092   12.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5681  -11.6580    8.9375 S   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8505  -13.0543    9.2723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0796  -11.9589    8.4923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6802  -10.9622    7.5799 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4297   -9.9424    6.8192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -9.2133    5.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1259   -8.0333    5.3568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3326   -7.2296    4.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0455   -5.8795    4.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2874   -5.0933    3.3339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8166   -3.7760    3.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0115   -3.1058    1.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5057   -1.6862    1.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2918   -1.0311    0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2344    0.3822    0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657    1.0142   -1.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0452    2.6160   -1.4693 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  9 13  4  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$
COVPDB401
  Mrv2015 05262116063D          

  9 10  0  0  1  0            999 V2000
    1.8093    1.2046   -0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3772   -0.0569   -0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1477   -1.2372   -0.0801 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2637   -2.2474    0.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254   -1.9017   -1.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9332   -2.9445   -2.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4353   -3.9322   -0.9972 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1838   -4.4436   -0.5429 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3883   -3.0679   -0.2412 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  4  9  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
$$$$
COVPDB402
  Mrv2015 05262116063D          

 12 12  0  0  0  0            999 V2000
    0.3712    0.5818    2.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1618    0.2015    1.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3493   -0.1905    1.5107 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6518    0.2612    0.4932 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3123   -0.0000   -0.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9892   -1.2279   -1.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3839   -2.3658   -1.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951   -3.2669   -2.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931   -2.6609   -1.7819 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3297   -1.4252   -1.2878 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8710   -3.2192   -1.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8669   -2.6127   -1.4391 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  6 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
$$$$
COVPDB403
  Mrv2015 05262116063D          

 28 29  0  0  0  0            999 V2000
    8.9097    3.7570   -7.8609 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5971    4.0748   -7.3544 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4846    4.8334   -6.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4715    3.6361   -8.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5671    2.7600   -7.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4275    2.2803   -8.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1266    2.6899   -9.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0320    3.5651  -10.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1893    4.0265   -9.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9070    4.0291  -11.2574 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2364    5.0255  -11.5946 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9621    4.8469  -10.0727 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6571    2.1122  -10.1853 S   0  0  1  0  0  0  0  0  0  0  0  0
    2.2298    3.1453  -11.3395 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9497    0.7046  -10.8999 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2419    1.9656   -9.1149 N   0  0  1  0  0  0  0  0  0  0  0  0
    1.1611    0.6976   -8.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9794    3.2364   -8.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1071    3.1925   -7.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2905    3.4249   -7.7086 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2189    2.9144   -6.0741 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6678    2.9593   -4.9557 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0716    2.4572   -3.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7010    2.7063   -2.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0832    2.1921   -1.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5692    2.5841    0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2262    2.0704    1.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4857    2.6466    2.9644 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  9 12  4  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$
COVPDB404
  Mrv2015 05262115563D          

 38 41  0  0  1  0            999 V2000
    1.0344   -6.0678  -10.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4146   -5.6650  -11.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1154   -5.6388   -9.7086 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4867   -6.6003   -8.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9739   -7.4061   -8.2733 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3359   -4.3177   -9.2002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9477   -3.9575   -8.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0721   -2.7233   -7.8607 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4585   -4.8808   -6.9766 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6735   -4.7068   -5.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7389   -4.8808   -4.5534 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0052   -4.3410   -5.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8448   -4.6984   -6.6319 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8764   -4.8994   -7.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6047   -5.1679   -8.7305 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3220   -4.8113   -7.2065 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9593   -3.4008   -7.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9054   -5.9059   -6.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2254   -5.9296   -7.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9251   -6.6306   -3.9862 S   0  0  2  0  0  0  0  0  0  0  0  0
    2.8816   -6.5991   -2.6959 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966   -7.4374   -5.1377 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3563   -7.3432   -3.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4579   -6.5074   -2.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7242   -6.9204   -2.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2091   -8.1886   -2.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4502   -8.5910   -2.1963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4945   -8.2719   -3.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8525   -8.7886   -2.6162 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.8555   -8.4654   -3.4977 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8275  -10.1551   -2.4743 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1524   -8.2260   -1.3991 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3952   -9.0487   -3.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1066   -8.6598   -3.8307 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7040   -9.6423   -4.6181 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1480  -10.8944   -4.7626 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8741   -9.1935   -5.9043 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9168   -9.8609   -4.0085 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  3  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 16 19  1  0  0  0  0
 11 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 26 33  4  0  0  0  0
 33 34  4  0  0  0  0
 23 34  4  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
M  END
$$$$
COVPDB405
  Mrv2015 05262116043D          

 44 48  0  0  0  0            999 V2000
  -13.7515    8.7167    5.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4263   10.0973    5.6086 N   0  3  0  0  0  0  0  0  0  0  0  0
  -14.3368   11.2334    5.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1104   10.4218    5.6967 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5334    9.2106    5.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0768    9.0517    6.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4924    8.1711    6.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2574    6.7442    6.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4782    5.8257    5.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2974    4.3299    5.4643 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0642    3.4246    4.3021 N   0  0  2  0  0  0  0  0  0  0  0  0
  -13.1983    3.2733    3.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7597    2.7836    1.9235 C   0  0  2  0  0  0  0  0  0  0  0  0
  -11.6753    3.7037    1.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2431    3.1963   -0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4558    3.0521   -1.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5809    2.1783   -0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9872    2.6641    0.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3000    1.8853    4.7749 S   0  0  1  0  0  0  0  0  0  0  0  0
  -11.0421    1.8345    6.3586 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2351    0.6361    4.4016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7308    1.7731    3.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2528    0.5375    3.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9882    0.4541    2.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1846    1.6045    2.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6821    2.8430    3.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9343    2.9256    3.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5692    1.4333    1.9879 S   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5507    0.8900    3.1040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6061    0.2611    0.8892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9103    2.8992    1.1997 N   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8026    3.4185    0.0953 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0984    2.4189   -1.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4755    3.2427   -2.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1878    4.7097   -1.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2597    4.6238   -0.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3881    3.9841    2.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5864    3.5948    3.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1772    3.5502    4.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4122    3.2373    5.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0352    2.9755    5.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0987    2.6401    6.9654 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4362    3.0003    4.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2076    3.2977    3.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  1  0  0  0  0
  2  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  1  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 25 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 32 36  1  0  0  0  0
 31 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  1  0  0  0  0
 41 43  4  0  0  0  0
 43 44  4  0  0  0  0
 38 44  4  0  0  0  0
M  CHG  1   2   1
M  END
$$$$
COVPDB406
  Mrv2015 05262116073D          

 24 24  0  0  1  0            999 V2000
    2.2907   -4.1683   -1.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2382   -3.0846   -2.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9562   -2.1363   -1.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0813   -1.0288   -1.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3302   -0.0660   -0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4128    1.0221   -0.4447 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0115    1.8489   -1.5381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6581    1.8707    0.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2262    1.4143    1.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4772    2.2400    3.0266 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8715    2.6103    3.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4960    2.1672    4.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6317    1.4905    4.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9688    0.9266    6.0147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2659    1.4914    4.3926 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2314    2.1834    5.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9486    1.4290    6.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0404    0.4434    6.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8301   -0.0388    5.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7296   -1.2388    6.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6400   -1.7043    4.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5502   -2.8028    5.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8900   -2.6114    5.2365 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1010   -3.9331    5.5305 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
$$$$
COVPDB407
  Mrv2015 05262116073D          

 32 35  0  0  1  0            999 V2000
    0.9840    4.9097    1.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4087    3.4321    0.9038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1746    2.4915    0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6203    1.1368    0.6573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0894    0.0019    0.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2037    0.1468   -0.1947 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4030   -1.2561    0.6544 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6565   -1.4879    1.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6152   -2.2320    0.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0177   -3.1209   -0.6252 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655   -3.3342   -0.6801 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1883   -4.8334   -0.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2929   -2.4662    0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8309   -3.7559   -1.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3287   -4.1933   -2.6345 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2137   -4.0541   -1.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6046   -5.4125   -1.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9504   -5.7821   -1.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9621   -4.8032   -1.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3434   -5.1040   -0.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8684   -6.7278   -0.9163 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2970   -4.0551   -0.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7631   -4.3395   -0.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6773   -3.1369   -0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1990   -1.7866   -0.9263 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4589   -1.6813   -2.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8936   -1.5943   -2.7602 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7076   -1.5491   -0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8225   -2.7175   -0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4997   -2.4718   -0.9398 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5683   -3.4388   -1.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2193   -3.0701   -1.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 20 22  4  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 22 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 19 31  4  0  0  0  0
 31 32  4  0  0  0  0
 16 32  4  0  0  0  0
M  END
$$$$
COVPDB408
  Mrv2015 05262116043D          

 36 37  0  0  1  0            999 V2000
    3.9457    1.8231    4.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8533    2.1696    3.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3137    1.2606    2.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1693    1.5778    1.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1477    1.1617    0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2638    0.3071   -0.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2597    0.3371   -1.7356 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4177   -0.5478    0.1586 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3923   -1.3374   -0.4464 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9559   -2.2291    0.5753 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2383   -0.4455   -1.0021 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9313   -1.2090   -1.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2868   -0.3717   -1.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4120   -0.7943   -0.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2906    0.7844   -2.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2264    1.9080   -2.0503 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9454    0.6272   -0.0688 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1703    1.9715   -0.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7686    2.3583   -1.3001 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7596    2.9476    0.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0825    2.7280    1.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7015    3.7384    2.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1869    3.6366    3.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3785    4.9557    4.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9627    2.3693    4.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4816    2.5912    4.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1666    2.5979    5.2808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2560    2.7857    3.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7935    2.8439    1.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6505    3.0294    0.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8639    3.1186   -0.7109 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0377    1.9387   -0.8543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7982    3.2640   -1.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0081    3.1706   -3.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1346    2.0009   -3.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0449    4.1287   -4.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 16 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 16 35  1  0  0  0  0
 34 36  2  0  0  0  0
M  END
$$$$
COVPDB409
  Mrv2015 05262116043D          

 39 43  0  0  0  0            999 V2000
    7.1345    7.7530    0.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6261    7.5430   -0.6101 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3390    7.0517   -1.5896 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6126    6.9026   -2.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3181    7.3545   -2.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3594    7.7791   -1.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0728    7.4433   -3.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0172    7.1111   -4.2101 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9618    7.8470   -2.2758 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1105    8.3408   -0.9869 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2898    8.3093   -0.3035 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6178    7.6681   -2.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1021    6.1879   -2.6664 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0861    5.3379   -3.2671 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9722    5.7537   -1.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3627    6.2613   -0.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4041    5.5910   -1.2942 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5509    6.1605   -2.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2423    5.8994   -3.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1168    4.4498   -0.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1418    4.2045   -1.5560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8510    3.4847    0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7531    2.4003    0.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5262    1.4000    1.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3877    1.4410    2.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5219    2.5421    2.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7084    3.4795    1.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1014    0.4163    3.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1534   -0.0722    4.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207   -1.0431    5.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6251   -1.5386    5.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4306   -1.0793    4.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2119   -0.1202    3.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2368    0.2687    2.5612 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9197    0.2635    2.9282 S   0  0  1  0  0  0  0  0  0  0  0  0
    3.1275    0.7699    4.4380 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4661   -1.2415    2.8007 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7987    1.3075    1.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4140    2.5566    1.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  2  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 25 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  2  0  0  0  0
 35 38  1  0  0  0  0
 38 39  2  0  0  0  0
M  END
$$$$
COVPDB40
  Mrv2015 05262116023D          

 24 24  0  0  1  0            999 V2000
    0.0955   -7.2042   -8.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4160   -5.8052   -7.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3567   -5.7870   -6.6695 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7118   -6.5036   -6.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5436   -4.3284   -6.1168 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2196   -3.3304   -7.2477 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3406   -2.4389   -8.1287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7408   -3.2779   -7.4124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3530   -4.1651   -4.9422 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2366   -4.7909   -3.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3997   -5.7022   -3.5435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0646   -4.3427   -2.5898 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5523   -4.0739   -2.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4598   -3.1384   -2.1059 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9307   -2.9354   -0.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -3.7976    0.0343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2983   -1.7454   -0.6804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -1.3074    0.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0627   -0.0328    0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6771    1.1508   -0.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0189    2.3680   -0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3855    2.4157   -0.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325    1.2443   -0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4761    0.0282    0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
M  END
$$$$
COVPDB410
  Mrv2015 05262116093D          

 12 11  0  0  1  0            999 V2000
   -4.2744    1.7644   -0.0843 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5041    2.2241   -1.2532 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0419    1.6890   -1.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2088    2.1216    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1748    1.5746    0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1342    2.3830   -0.0339 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4202    0.2110    0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5422   -0.2691    0.0372 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.6071   -0.7314   -0.0038 N   0  5  0  0  0  0  0  0  0  0  0  0
   -4.2193    1.7860   -2.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6700    2.6926   -3.3713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4312    0.5708   -2.6929 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  2  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  CHG  2   8   1   9  -1
M  END
$$$$
COVPDB411
  Mrv2015 05262116043D          

 28 29  0  0  1  0            999 V2000
   -0.8176    4.4988    3.2458 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4261    4.5922    3.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1782    5.1482    4.0945 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5496    5.1921    3.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6246    4.6205    2.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1980    4.1129    1.9801 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9807    2.5753    1.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7638    1.8911    0.5835 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2887    0.6246    0.0957 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149   -0.3153    0.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2851   -1.3270   -0.0039 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0524   -0.1988    1.9793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8480   -1.0014    2.7816 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7239   -2.0133    1.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0191   -1.7623    3.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7657    0.0346    3.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2233    1.7370    0.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0146    2.2609    0.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7533    1.1058    1.9796 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0365    0.3692    2.7013 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0347    1.3721    2.3392 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6067    1.0339    3.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0323    1.4395    3.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4586    2.7085    3.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8151    3.0757    3.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7568    2.1948    3.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3438    0.9446    4.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9908    0.5692    4.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
M  END
$$$$
COVPDB412
  Mrv2015 05262116073D          

 36 36  0  0  0  0            999 V2000
   -8.2856   -5.1101   10.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6839   -4.8488   10.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4094   -3.7567   10.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7435   -3.5244   10.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3785   -4.3842   11.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6578   -5.4689   12.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3245   -5.7006   11.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0611   -4.1309   12.0595 S   0  0  1  0  0  0  0  0  0  0  0  0
  -14.8811   -5.4880   11.8080 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0991   -3.8799   13.6456 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7872   -2.7565   11.1741 N   0  0  2  0  0  0  0  0  0  0  0  0
  -15.0606   -1.5979   12.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0555   -0.2560   11.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9211    0.0778   10.6258 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0976    0.6891   11.8870 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8067    2.1081   11.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9488   -3.1782   10.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5650   -4.0882    9.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0307   -5.2533    9.2267 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7456   -3.7558    8.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2813   -2.5266    7.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5139   -2.2683    6.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3322   -1.0364    6.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5464   -0.7823    5.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0122   -0.8758    5.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1946   -0.6188    3.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6615   -0.6956    4.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8352   -0.4775    2.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3039   -0.5381    3.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4731   -0.3228    1.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9432   -0.3712    2.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1082   -0.1488    0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5811   -0.1921    1.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8892    0.0132   -0.0853 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2731    0.0273   -0.1606 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4314    0.0423   -0.2408 N   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  2  0  0  0  0
M  CHG  2  35   1  36  -1
M  END
$$$$
COVPDB413
  Mrv2015 05262116063D          

 33 38  0  0  1  0            999 V2000
    0.1432   -7.4075   -3.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1946   -6.5477   -4.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3220   -7.1459   -5.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3376   -6.3676   -7.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2275   -4.9758   -7.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1922   -4.0050   -7.9678 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0770   -2.8408   -7.3998 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0298   -3.0138   -6.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1214   -4.3757   -5.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1137   -5.1254   -4.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0173   -4.4178   -3.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1377   -3.7259   -2.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6870   -3.8241   -3.5385 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9848   -2.9044   -1.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2758   -2.7476   -1.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5283   -1.8419   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7499   -1.8742    0.5742 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7487   -2.6893    0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5579   -3.4881   -0.9069 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3670   -3.5333   -1.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2279   -4.3425   -2.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2736   -4.9934   -3.1581 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3434   -0.8652    0.4113 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657   -0.6076    1.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0329    0.8052    2.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4089    1.8419    1.2200 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3827    1.4934   -0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575    0.0849   -0.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6555    3.1398    1.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5757    3.4364    2.8721 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9636    4.2768    0.7554 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4043    4.4285    0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8365    5.3385    1.2931 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  5  9  4  0  0  0  0
  9 10  4  0  0  0  0
  2 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 12 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 20 21  4  0  0  0  0
 11 21  4  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 33  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   6
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB414
  Mrv2015 05262116073D          

 20 21  0  0  1  0            999 V2000
   -2.0821   -1.1186   -4.0810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5507   -2.1615   -3.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1579   -1.5760   -1.9161 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6346   -2.6848   -0.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7102   -2.0233   -0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3541   -0.9242   -0.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4914   -0.8217   -2.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2311   -0.6136   -1.2297 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8238   -1.0180   -0.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0040    0.0455   -0.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6122    1.1035   -0.0356 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3662   -0.0524   -0.0659 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1975    1.0625    0.3723 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6293    0.7231   -0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5067   -0.6803   -0.7459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2071   -1.2342   -0.1338 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8285   -2.3787   -0.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5289   -3.3449   -1.3413 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8422    2.3436   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5438    3.4106   -0.3100 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  0  0  0  0
 13 19  1  0  0  0  0
 19 20  3  0  0  0  0
M  END
$$$$
COVPDB415
  Mrv2015 05262116063D          

 32 36  0  0  0  0            999 V2000
    9.4733   -7.2077    1.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5905   -8.5253    2.0185 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8446   -8.8555    1.9444 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5922   -7.7827    1.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7429   -6.6932    1.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9727   -7.6474    1.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4800   -6.3630    1.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6284   -5.2250    1.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2278   -3.8857    0.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2188   -5.3956    1.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2696   -4.3401    1.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1057   -3.4192    2.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8669   -3.4925    3.2469 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4402   -4.2231   -0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6356   -5.2378   -1.3751 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4149   -3.2535   -0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1817   -2.3904    1.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0926   -2.4390    2.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0973   -1.4673    1.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0722   -0.6059    2.1798 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022   -0.6099    3.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9823   -1.5384    3.1376 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0224   -1.3911    0.2575 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5238   -0.1317   -0.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0483    0.1064    0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1832   -1.0670    0.1537 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -2.3712    0.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2403   -2.5405   -0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7883   -0.9684    0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1211   -2.0297   -0.0675 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0510    0.2253    0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2797    0.3137   -0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 11 14  4  0  0  0  0
 14 15  1  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 12 18  4  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 18 22  4  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   3
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB416
  Mrv2015 05262116083D          

 28 31  0  0  0  0            999 V2000
   13.1210   -4.0433    0.8743 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6163   -5.2205    1.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4923   -6.3136    1.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9834   -7.5975    1.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5961   -7.7945    1.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7187   -6.7066    1.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2173   -5.4122    1.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2929   -4.3481    1.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4331   -4.2623   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5865   -5.3130   -1.3592 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -3.2855   -0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1877   -3.3763    2.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1897   -2.3867    2.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2320   -2.3784    0.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1453   -1.4398    3.0207 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1756   -0.4978    3.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1995   -0.5301    2.1021 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1627   -1.4391    1.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0533   -1.3792    0.2623 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.1276   -0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0606    0.0953    0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1986   -1.0791    0.1646 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8118   -2.3790    0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2684   -2.5371   -0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8043   -0.9868    0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1446   -2.0514   -0.0944 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0532    0.2015    0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827    0.2740   -0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
  8 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 11 14  4  0  0  0  0
 13 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 14 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
$$$$
COVPDB417
  Mrv2015 05262116103D          

 17 18  0  0  0  0            999 V2000
   -3.1988   -0.9251    0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3581   -0.5094   -0.6796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2703    0.8527   -1.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9130    1.3033   -1.0271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4480    2.4882   -0.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2736    3.3648   -0.1710 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9223    2.7029   -0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413    1.6523   -0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3654    2.2597    0.0416 S   0  0  1  0  0  0  0  0  0  0  0  0
    3.9212    2.0084    1.5250 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3635    1.7031   -1.0828 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9675    3.9586   -0.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5704    3.9759   -0.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875    5.0957   -0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1725    6.3387   -0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7799    6.4128   -0.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9870    5.2453   -0.6631 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  4  0  0  0  0
  7 13  1  0  0  0  0
 12 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
M  END
$$$$
COVPDB418
  Mrv2015 05262116063D          

 36 39  0  0  0  0            999 V2000
    3.8980    5.3957   -6.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6300    5.0782   -4.8845 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    6.2178   -3.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4088    3.7626   -4.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405    2.8131   -5.2625 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8629    3.3607   -3.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776    3.7800   -2.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9349    3.7021   -1.6350 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2926    4.1028   -1.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1101    4.8265   -2.0205 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3610    5.2300   -1.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0127    6.0216   -2.6050 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9401    5.7337   -4.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2021    6.8983   -4.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8609    8.1628   -4.4354 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9730    8.4392   -3.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583    7.2695   -2.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3628    9.0557   -5.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0700   10.0119   -4.9822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1382    8.9996   -6.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5194    9.9354   -7.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8550    4.8323   -0.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1744    5.0671    0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5778    4.7110    1.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1922    5.0246    1.7749 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6553    4.1061    2.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3589    3.7917    1.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9638    4.1358    0.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7229    3.7915    0.0275 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0025    3.8590    3.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2324    4.9694    4.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6536    4.7838    5.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8313    3.4842    6.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5774    2.3703    5.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1598    2.5503    4.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9412    1.4915    3.3736 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 11 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  1  0  0  0  0
 24 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 22 28  4  0  0  0  0
 28 29  4  0  0  0  0
  9 29  4  0  0  0  0
 26 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 30 35  4  0  0  0  0
 35 36  1  0  0  0  0
M  END
$$$$
COVPDB419
  Mrv2015 05262116063D          

 40 44  0  0  0  0            999 V2000
    4.1108    5.1842   -6.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7565    4.9731   -4.8545 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7053    6.1723   -4.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4631    3.7011   -4.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6291    2.6928   -5.0952 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9045    3.4110   -3.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4510    3.9355   -2.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621    3.8462   -1.5559 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2824    4.2356   -1.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    4.9351   -2.0164 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3679    5.3028   -1.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0275    6.0821   -2.6138 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0575    5.7205   -4.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3079    6.7994   -4.8362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8124    8.1374   -4.5505 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8643    8.4700   -3.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5656    7.3784   -2.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1984    9.0650   -5.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7180   10.1473   -5.1563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0261    8.9112   -6.9106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5189    9.7253   -7.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8814    4.8922   -0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2138    5.0907   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6291    4.7086    1.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2517    4.9751    1.7161 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7012    4.1206    2.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3859    3.8640    1.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    4.2203    0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7304    3.9120    0.0447 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0293    3.8182    3.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1095    4.9275    4.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4326    4.7619    5.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4854    5.8426    6.5849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6960    3.4750    6.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5848    2.3405    5.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8089    1.0539    5.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6495   -0.1147    5.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2777    0.0402    3.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0903    1.3410    3.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    2.4965    4.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 11 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  1  0  0  0  0
 24 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 22 28  4  0  0  0  0
 28 29  4  0  0  0  0
  9 29  4  0  0  0  0
 26 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  1  0  0  0  0
 32 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 30 40  4  0  0  0  0
 35 40  4  0  0  0  0
M  END
$$$$
COVPDB41
  Mrv2015 05262115563D          

 19 20  0  0  1  0            999 V2000
   -4.8834    1.0405    1.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4860    0.5803    1.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4795    1.5176    1.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1515    1.1038    0.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8088   -0.2600    1.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8005   -1.1957    1.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1265   -0.7810    1.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8452   -0.8247    0.7445 S   0  0  1  0  0  0  0  0  0  0  0  0
    1.6374   -0.8947    2.1390 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8377   -2.3010    0.1172 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7571    0.2558   -0.3115 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1547    0.4910   -1.6393 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2325   -0.6630   -2.6854 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2320    0.1672   -3.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1104    1.1736   -2.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6739    2.2832   -2.3674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0955   -1.0298   -3.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0733   -1.6299   -2.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1719   -2.9486   -2.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
$$$$
COVPDB420
  Mrv2015 05262116063D          

 30 33  0  0  0  0            999 V2000
   13.1893   -4.0087    0.8255 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6352   -5.2166    1.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5044   -6.3166    1.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9947   -7.5922    1.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6097   -7.7759    1.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7325   -6.6844    1.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4505   -6.9012    1.7181 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2341   -5.3915    1.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3181   -4.3079    1.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1936   -3.3507    2.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0221   -3.3623    3.1706 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4702   -4.2036   -0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6148   -5.2329   -1.3606 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4491   -3.2330   -0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2241   -2.3713    1.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1497   -2.3989    2.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200   -1.4757    1.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0591   -0.6314    2.2074 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9826   -0.6328    3.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0040   -1.5198    3.1514 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0532   -1.4360    0.2665 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5707   -0.2086   -0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1085    0.0554    0.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2238   -1.1038    0.1763 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8133   -2.4065    0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2654   -2.6023   -0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8290   -0.9783    0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1265   -2.0202    0.0517 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1354    0.2381    0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1723    0.3965   -0.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  4  0  0  0  0
 12 13  1  0  0  0  0
 12 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 10 16  4  0  0  0  0
 15 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
$$$$
COVPDB421
  Mrv2015 05262116063D          

 30 31  0  0  0  0            999 V2000
   17.9371   -4.0349   -8.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4595   -3.7122   -7.3329 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4962   -3.2543   -6.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7940   -4.1562   -5.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7628   -3.6952   -4.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4026   -2.3272   -4.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1678   -1.4148   -5.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2054   -1.8774   -6.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042   -1.9107   -4.0997 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3925   -1.0542   -3.1298 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1798   -0.8946   -2.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2663   -1.7078   -3.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8881   -1.8370   -2.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2144   -2.7508   -3.4706 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2773   -0.9784   -2.0663 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8670   -0.9366   -1.8242 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4992   -0.3128   -0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9600   -0.2788   -0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4318    0.4184    1.3071 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3506    0.1250    1.2151 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8227    1.3300   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2850    1.4945   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7340    2.3824   -1.1014 N   0  0  1  0  0  0  0  0  0  0  0  0
    0.2411    2.3264   -1.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2403    3.7890   -1.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0146   -2.3149   -4.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4875   -3.2068   -5.3515 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2514   -4.4574   -4.8368 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3295   -3.3393   -6.4280 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.3295   -2.7142   -5.9005 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 12 26  4  0  0  0  0
  9 26  4  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
$$$$
COVPDB422
  Mrv2015 05262115533D          

 29 31  0  0  0  0            999 V2000
    8.2453    7.3232   -9.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2608    6.7008   -8.2082 N   0  0  1  0  0  0  0  0  0  0  0  0
    7.6280    5.3168   -7.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4664    4.6784   -6.9949 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0430    5.5184   -5.8264 N   0  0  2  0  0  0  0  0  0  0  0  0
    4.8930    4.9479   -5.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1102    3.5365   -4.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8616    3.0091   -3.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1562    1.6999   -3.1573 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1224    1.1521   -2.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1453    0.4225   -3.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0327   -0.1178   -2.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8849    0.0498   -1.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8816    0.7563   -0.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0249    1.2944   -1.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0497    2.0229   -0.2197 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1979    1.4955    1.0422 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3142    1.9972   -0.7577 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6708    3.3346   -0.0775 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2485   -0.4696   -0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1318   -1.3531    0.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2937   -1.8291    1.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5596   -1.4176    0.8516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6371   -0.5302   -0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4932   -0.1014   -0.8376 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7761   -0.1002   -0.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7813    0.2881   -1.0937 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7669    6.9369   -6.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9386    7.5569   -7.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 24 26  1  0  0  0  0
 26 27  3  0  0  0  0
  5 28  1  0  0  0  0
 28 29  1  0  0  0  0
  2 29  1  0  0  0  0
M  END
$$$$
COVPDB423
  Mrv2015 05262116043D          

 16 17  0  0  1  0            999 V2000
    5.3452   -0.5884    1.2351 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9520   -1.4324    2.6676 S   0  0  2  0  0  0  0  0  0  0  0  0
    4.6923   -0.4072    3.8670 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0988   -2.5008    2.9887 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5002   -2.2238    2.2286 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5754   -2.1721    0.8007 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1567   -0.7715    0.4616 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2145   -2.3961    0.0683 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5522   -3.7443    0.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1757   -3.7431    1.8510 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4662   -2.2861   -1.4754 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2431   -2.3988   -2.2009 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1446   -0.9407   -1.8814 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4745   -0.9778   -3.2711 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4293   -0.6362   -1.0573 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8847    0.6884   -1.3356 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$
COVPDB424
  Mrv2015 05262116043D          

 16 17  0  0  1  0            999 V2000
    3.1578   -0.9236   -2.9088 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5854   -0.9242   -3.5822 S   0  0  2  0  0  0  0  0  0  0  0  0
    0.6322    0.0735   -2.7744 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0153   -2.4165   -3.6573 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8627   -0.3232   -5.1594 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2091    0.1499   -5.0540 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9590   -0.8083   -4.0880 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9354    0.3108   -6.4279 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7680   -0.9251   -7.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3409   -0.6736   -8.6415 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4338    0.7224   -6.2013 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5020    2.0863   -5.7871 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1867   -0.1471   -5.1478 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4840   -1.4311   -5.6989 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4010   -0.3059   -3.8108 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3736    0.9374   -3.1075 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$
COVPDB425
  Mrv2015 05262116013D          

 27 30  0  0  1  0            999 V2000
    1.3847   -0.0494   -0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0555   -0.0779   -0.1843 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5871    0.5481    0.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9826    1.8983    0.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4993    2.5545    1.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6063    1.8816    3.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2776    0.5031    3.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7673   -0.1558    2.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0230    2.5977    4.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0066    2.4844    5.4540 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9823    1.5053    6.3114 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0697    1.5503    7.0662 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7812    2.6250    6.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0842    3.2477    5.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6013    4.5011    5.0891 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9783    4.4604    3.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1644    5.1930    4.0930 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0895    3.0740    7.2637 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6456    4.3678    6.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5479    5.3162    6.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1919    3.2168    8.6941 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3080    3.1300    9.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0766    2.9801    9.5596 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8678    3.2104   10.9632 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    2.9936   12.2206 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9885    1.8945   12.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1472    4.3107   13.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
$$$$
COVPDB426
  Mrv2015 05262116073D          

 29 32  0  0  0  0            999 V2000
   13.1321   -4.0632    0.7960 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6195   -5.2302    1.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4843   -6.3314    1.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9633   -7.6038    1.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5764   -7.7812    1.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7100   -6.6873    1.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2204   -5.4042    1.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3004   -4.3323    1.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1899   -3.3674    2.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0011   -3.3968    3.1557 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4450   -4.2406   -0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6096   -5.2651   -1.3793 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4177   -3.2754   -0.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2245   -2.3812    1.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1786   -2.3858    2.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1427   -1.4572    1.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1554   -0.5552    2.1373 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1230   -0.5196    3.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1060   -1.4468    3.0539 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0478   -1.4059    0.2703 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5438   -0.1569   -0.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0755    0.0797    0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2090   -1.0934    0.1700 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8160   -2.3969    0.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2683   -2.5668   -0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8164   -0.9918    0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1482   -2.0520   -0.0632 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0867    0.2054    0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2426    0.3063   -0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  4  0  0  0  0
 11 12  1  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
  9 15  4  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 15 19  4  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
$$$$
COVPDB427
  Mrv2015 05262116073D          

 32 35  0  0  0  0            999 V2000
   12.6514   -3.3455   -0.4789 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2843   -3.8867    0.6131 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2210   -2.9841    1.6437 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.6110   -3.9700    0.2611 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6629   -5.1894    1.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4794   -6.3407    1.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9337   -7.5801    1.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5540   -7.6995    1.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7244   -6.5810    1.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2576   -5.3255    1.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3083   -4.2671    1.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1222   -3.3596    2.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9063   -3.3991    3.2568 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4685   -4.1637   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6693   -5.1567   -1.3686 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4114   -3.2317   -0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1545   -2.3945    1.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0580   -2.4313    2.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0404   -1.5125    1.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9386   -0.7008    2.2692 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8387   -0.7171    3.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -1.5838    3.2295 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0019   -1.4508    0.2800 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5412   -0.2065   -0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0715    0.0583    0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1837   -1.0982    0.1579 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7626   -2.4111    0.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2185   -2.6081   -0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7894   -0.9587    0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0754   -1.9928    0.0283 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067    0.2647    0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2048    0.4330   -0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 11 14  4  0  0  0  0
 14 15  1  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 12 18  4  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 18 22  4  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
$$$$
COVPDB428
  Mrv2015 05262116073D          

 21 23  0  0  0  0            999 V2000
   -8.0010   -9.6304   -5.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9207   -8.6607   -4.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4839   -9.0057   -3.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2988   -7.3920   -4.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2440   -6.4677   -3.8239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8219   -6.8312   -2.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4301   -8.0696   -2.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9776   -6.1841   -1.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6569   -7.0254   -0.5584 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9116   -8.1290   -1.1909 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5419   -4.9019   -0.9715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4364   -4.0243   -0.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0039   -2.7567    0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6718   -2.3598   -0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7625   -3.2156   -0.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2068   -4.4887   -1.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4796   -2.7726   -0.9027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6409   -2.9618   -1.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0336   -3.5674   -2.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3448   -2.4621   -1.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7457   -1.8096   -0.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  2  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  3  7  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  7 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  10
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB429
  Mrv2015 05262115463D          

 30 30  0  0  1  0            999 V2000
    0.4492   -4.7779    0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2910   -3.6174    0.9234 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1426   -3.7672    2.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1880   -2.2317    0.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4240   -0.9752    1.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2234    0.2652    0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2397    0.8991   -0.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0401    0.6865   -0.0528 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3611    1.8342   -0.8630 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4576    1.4976   -2.4034 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2076    0.7606   -2.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7151    2.7695   -3.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6326    2.4478   -0.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6323    3.6597   -0.0588 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7926    1.7261   -0.4206 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1115    2.2495   -0.6624 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1932    1.1234   -0.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4648    1.4321   -1.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5761    0.3609   -1.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388    0.4881   -2.3396 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8099    0.0906   -2.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5753    0.3586   -3.3409 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3308   -0.5344   -1.3183 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5119    3.4966    0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5907    4.5548   -0.6095 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8410    3.5824    1.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7951    2.6065    2.3652 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2259    2.9358    3.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6603    4.2516    3.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4566    5.0194    2.2352 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 16 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 26 30  4  0  0  0  0
M  END
$$$$
COVPDB42
  Mrv2015 05262116093D          

 29 32  0  0  1  0            999 V2000
    1.8344   -0.5490   -0.6023 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3812    0.0882    0.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9371   -0.8229    1.6899 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4229   -0.5238    2.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7476   -2.1205    1.1221 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8156   -1.9588   -0.3100 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1204   -2.6318   -0.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0337   -4.1685   -0.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9177   -4.6615   -1.4414 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6214   -4.1705   -0.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5839   -2.6146   -1.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0775   -5.4864   -2.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540   -5.9023   -3.1887 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0127   -5.9795   -3.2217 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9859   -6.8321   -4.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1735   -7.0789   -4.6755 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1297   -7.4425   -4.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4509   -7.1478   -4.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9650   -8.3903   -5.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0553   -9.0783   -6.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577  -10.0741   -7.5630 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9066   -9.4229   -8.7706 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6522  -10.7322   -7.4813 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8140  -11.0641   -7.5802 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3443   -8.7746   -5.9767 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5904   -7.8262   -4.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8840   -7.6410   -4.5583 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.8766   -8.2237   -5.1036 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2349   -6.9558   -3.6830 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  4  0  0  0  0
 12 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  2  0  0  0  0
 15 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 20 25  4  0  0  0  0
 25 26  4  0  0  0  0
 18 26  4  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
M  CHG  2  27   1  28  -1
M  END
$$$$
COVPDB430
  Mrv2015 05262116043D          

 22 23  0  0  0  0            999 V2000
   -2.2024   -5.1892    5.5331 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.5583   -4.4023    4.6013 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.0028   -4.8999    3.6435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4565   -3.0749    4.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8291   -2.4710    5.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7598   -1.0791    6.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3017   -0.2872    5.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1929    1.3933    5.1971 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9370   -0.8828    3.9016 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9859   -2.2269    3.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5606   -2.7619    2.4943 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0226   -2.1350    1.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9272   -0.7798    1.3257 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4142   -0.1181    0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0458   -0.8268   -0.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5578   -0.0871   -2.0646 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6709    0.6428   -1.7252 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9057   -0.8911   -3.1257 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4044    0.7780   -2.5270 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0145   -2.2397   -0.8128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5412   -2.9018    0.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5635   -4.5994    0.3196 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
  4 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  4  0  0  0  0
 20 21  4  0  0  0  0
 12 21  4  0  0  0  0
 21 22  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
$$$$
COVPDB431
  Mrv2015 05262115553D          

 10 10  0  0  0  0            999 V2000
    1.6991    0.0339    0.0720 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0675    0.0098    0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1436   -0.0143   -0.0304 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8613   -0.5218   -1.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3179   -0.3983   -0.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0285    0.7629   -1.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4127    0.8728   -1.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1061   -0.1737   -0.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4127   -1.3281    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0285   -1.4391   -0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
M  END
$$$$
COVPDB433
  Mrv2015 05262116043D          

 31 33  0  0  0  0            999 V2000
    1.4426   -0.1399   -0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0088   -0.1489   -0.0201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308    0.5147    1.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6441    1.9066    1.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0989    2.6035    2.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3305    1.8838    3.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1292    0.4896    3.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928   -0.1928    2.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3812   -0.2047    4.5876 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2408   -0.2730    5.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3079    4.0702    2.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0526    4.8294    2.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2489    6.2811    2.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5016    7.1735    3.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6812    8.4073    2.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4903    8.2113    1.6322 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    6.9686    1.3633 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0048    9.5518    3.6032 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6099   10.6516    3.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7039   11.6526    3.8158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1696   10.7322    1.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6960   11.7332    0.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2013   11.8299   -0.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1879   10.9349   -0.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6779    9.9498    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1757    9.8260    1.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6726    8.8869    2.1895 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0330    7.5951    1.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    7.1048    0.7750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5405    6.7539    2.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0248    7.1436    4.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  16
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB434
  Mrv2015 05262116073D          

 26 25  0  0  1  0            999 V2000
    3.2000    2.7721    0.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6779    2.7803    0.4450 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5010    3.5150   -0.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1836    1.2929    0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2291    1.2506   -0.0350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9512   -0.1759    0.0020 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2316   -1.1772   -0.9900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8705   -0.7765    1.4653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3578   -0.0171   -0.3863 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8402    3.4976    1.5786 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9752    2.8322    2.8365 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1052    4.9468    1.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0434    5.3188    2.5360 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2860    5.8498    1.1858 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2613    7.2680    1.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5248    7.9307    0.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0929    9.2706    0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3429    9.3960    0.4844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2987   10.3606    0.7315 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8098   11.7026    0.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2628   12.7799    1.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1327   14.0610    0.6255 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3529   15.2730    1.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1877   15.3704    1.9542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0970   16.5033    0.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0099   16.7304    0.4726 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$
COVPDB435
  Mrv2015 05262116143D          

 26 28  0  0  1  0            999 V2000
    2.7665    1.3507    3.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2669    1.7219    2.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7090    2.8306    1.9362 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4143    0.8246    1.0983 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8778    0.9523   -0.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9982   -0.2514   -1.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8526   -1.5235   -0.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8973   -2.5849   -1.4280 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3734   -2.7207   -2.7595 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7310   -1.2880   -3.6744 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2037    0.0384   -2.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6414   -4.0969   -2.8109 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4284   -4.1482   -3.5646 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3700   -5.2417   -3.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0269   -6.3516   -3.2134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6830   -5.1056   -4.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5328   -4.7154   -5.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5676   -3.4217   -6.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3891   -3.3428   -7.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2016   -4.5657   -8.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2628   -5.8106   -7.1053 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3502   -3.8112   -1.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -4.4543   -0.5508 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738   -1.8231    0.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2808   -2.7694    1.4029 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6311   -1.2701    1.3513 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 17 21  4  0  0  0  0
 12 22  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  2  0  0  0  0
  7 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
$$$$
COVPDB436
  Mrv2015 05262116063D          

 43 46  0  0  0  0            999 V2000
   -0.5575   16.6888    3.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3978   15.4001    4.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7043   14.4758    3.6170 N   0  0  1  0  0  0  0  0  0  0  0  0
    0.5398   13.8249    2.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5421   12.6498    2.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8514   12.7528    2.7650 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   13.8762    3.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0796   15.0212    3.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8070   11.7133    2.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5764   10.5688    1.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4932    9.5079    1.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7172    9.5387    2.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6198    8.5085    2.3669 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3784    7.2466    1.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7172    6.2772    2.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5532    4.9659    2.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292    4.7342    0.9399 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6443    5.6765    0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8236    6.9165    0.6948 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0197    3.8958    2.9057 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1802    3.7985    4.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5106    2.8153    2.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1636    1.7470    2.2405 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3490    2.7820    1.5174 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2758    3.6045    1.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0448    4.7390    0.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1442    5.1923   -0.3290 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8656    5.5027    1.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6198    6.6077    0.2738 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0086    7.8260    0.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0954    5.1172    1.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1147    3.9894    2.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8732    3.5867    3.7596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7894    4.4562    4.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3040    3.2404    2.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5257    1.8779    3.6613 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0233   10.6872    3.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2599   10.7797    3.7776 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5814   11.3058    5.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6837   11.6597    5.8011 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8962   11.4399    5.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9771   11.3297    4.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0693   11.7302    3.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  1  0  0  0  0
 26 28  4  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 32 35  4  0  0  0  0
 25 35  4  0  0  0  0
 35 36  1  0  0  0  0
 12 37  4  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  2  0  0  0  0
 37 43  4  0  0  0  0
  9 43  4  0  0  0  0
M  END
$$$$
COVPDB437
  Mrv2015 05262116063D          

 33 34  0  0  0  0            999 V2000
   -1.8499    3.1108  -13.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6180    2.4028  -13.7033 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4673    1.0865  -14.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5096    0.2305  -14.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2640   -1.1330  -14.7428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214   -1.6982  -14.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0485   -0.8247  -14.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8150    0.5194  -13.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3508   -1.0408  -13.9225 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8797    0.1061  -13.5800 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9866    1.0633  -13.5582 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4281   -3.4127  -14.7623 S   0  0  1  0  0  0  0  0  0  0  0  0
    1.5804   -3.5296  -15.8736 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908   -3.9548  -13.4021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8939   -4.5128  -15.2087 N   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2474   -4.4203  -16.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -4.5855  -14.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7707   -4.8915  -12.8741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8800   -6.0771  -12.4812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414   -3.8860  -12.0095 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3692   -4.0259  -10.5879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207   -2.8635   -9.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9973   -2.8635   -8.4965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3357   -1.9065   -7.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0792   -1.8649   -6.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4266   -0.9792   -5.3550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0991   -0.8856   -4.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3115    0.0406   -3.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9772    0.1664   -1.7224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1787    1.0890   -0.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8322    1.2244    0.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0148    2.1504    1.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7657    2.2977    3.1570 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  8 11  4  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
$$$$
COVPDB438
  Mrv2015 05262116073D          

 23 25  0  0  0  0            999 V2000
   -4.4549    9.6174  -10.9114 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2405    9.4588  -10.2857 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4960   10.5950  -10.4925 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6052    8.4242  -10.9341 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4311    9.2398   -8.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2267   10.1433   -8.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4597    9.9423   -6.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8890    8.8445   -6.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0584    7.9647   -6.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8413    8.1529   -8.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1479    8.6428   -4.6783 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1141    8.4004   -3.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3596    7.0629   -2.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7376    6.7059   -2.6711 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8131    7.3320   -3.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4820    8.6727   -4.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0480    5.6685   -1.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2596    5.4730   -1.5013 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1542    4.7973   -1.1749 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4481    3.8453   -0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2675    3.1862    0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3109    3.7534   -0.7162 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8747    4.7000   -1.3998 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 19 23  4  0  0  0  0
M  END
$$$$
COVPDB439
  Mrv2015 05262116043D          

 10  9  0  0  0  0            999 V2000
    1.8829   -0.1880   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4871   -0.2273    0.2358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1462    0.4908    1.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5061    1.3076    1.9058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5050    0.3552    1.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2902   -0.5660    0.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6561   -0.6756    1.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2656   -1.6557    0.5735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3374    0.2743    1.7818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7270    0.3010    2.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$
COVPDB43
  Mrv2015 05262115573D          

 24 25  0  0  1  0            999 V2000
   -0.6657    1.2637    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0318    2.4861   -0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4365    2.4953   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1405    1.2798   -0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4415    0.0584    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    0.0263    0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230   -1.2657    0.1537 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3826   -2.0295    1.4648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4439   -2.0934   -0.9890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2184   -3.1383   -1.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3362   -3.3125   -0.8772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7881   -4.0467   -2.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5549   -5.1971   -2.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1696   -6.1330   -3.7537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9325   -7.2106   -4.0358 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.0239   -7.4609   -3.4314 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6468   -7.9998   -4.8495 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0510   -5.8925   -4.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8647   -4.7730   -4.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4202   -3.8575   -3.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1428   -4.5466   -4.8756 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0897   -3.9196   -4.1008 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7406   -5.7119   -5.2966 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8929   -3.7695   -5.9803 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 14 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 12 20  4  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  CHG  2  15   1  16  -1
M  END
$$$$
COVPDB440
  Mrv2015 05262116063D          

 37 40  0  0  0  0            999 V2000
    1.1119   -0.5795   -0.8445 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0261   -0.5153   -0.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3188   -0.4457   -0.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9259    0.7588   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1234   -1.5782   -0.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5025   -1.5162   -0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1122   -0.3281   -0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3251    0.8559    0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4937   -0.3071    0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2950   -1.4337    0.2884 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0788   -2.4158    1.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3308   -1.6245   -0.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0525   -2.6487   -0.5146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7065   -0.6706   -1.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3619   -1.5091   -3.1472 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.0793    0.9012    0.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3340    2.0874    0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9540    2.0813    0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1854    3.3583    0.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9764    3.2413    1.2801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2945    3.2700    2.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4702    3.9300    3.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7830    3.8649    4.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9636    3.2401    5.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8348    2.6671    4.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5039    2.6886    3.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3715    4.6608    3.2049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6791    6.0581    2.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3631    6.8592    2.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5760    8.2511    2.4692 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9927    8.5552    1.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1844    9.8845    0.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9387   10.9013    1.7175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0816   12.1043    1.4064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5395   10.5761    2.9707 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3581    9.2850    3.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9877    9.1086    4.5342 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
  8 18  4  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  2  0  0  0  0
 33 35  4  0  0  0  0
 35 36  4  0  0  0  0
 30 36  4  0  0  0  0
 36 37  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  35
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB441
  Mrv2015 05262115463D          

 45 46  0  0  1  0            999 V2000
   -3.6077    4.3657   -4.7420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7562    5.2200   -4.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2890    6.3661   -4.8988 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3564    7.1242   -4.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9228    6.1642   -3.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0947    5.1601   -2.8963 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1244    5.4817   -1.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6844    5.2770   -0.2709 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9678    4.0167   -0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5928    2.8432    0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9547    1.6225    0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6576    0.6057    0.4710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5979    1.4986    0.1353 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1320    0.2662    0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6413    0.5078   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9370    6.3560    0.3209 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4406    7.5741    0.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6107    7.8981    0.3655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6617    8.5064    1.5394 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2085    8.7491    1.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5863    9.8836    1.7569 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1094    9.7680    1.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0780   11.3011    1.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6600    7.9297    2.8553 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9616    8.5502    4.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2474    9.7725    4.0375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0054    7.8162    5.3283 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9827    6.6353    5.5270 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4891    7.0807    5.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261    5.3084    4.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3893    7.5018    5.5437 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9584    7.0703    6.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2596    6.7094    7.6814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4319    7.1359    6.8784 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2791    6.4784    5.7344 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9536    4.9650    5.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8079    6.6890    5.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6647    8.5489    6.9707 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1223    9.2286    8.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5436    8.6208    9.0710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0788   10.6385    8.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5220   11.4866    7.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6662   12.7875    7.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2911   12.7724    8.7874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5422   11.4781    9.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 34 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 41 45  4  0  0  0  0
M  END
$$$$
COVPDB442
  Mrv2015 05262116063D          

 37 40  0  0  0  0            999 V2000
    1.0540   -0.5825   -0.9657 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0791   -0.5350   -0.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3680   -0.4761   -0.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9742    0.7325   -0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1691   -1.6186   -0.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -1.5571   -0.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1573   -0.3660   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3702    0.8223    0.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5363   -0.3419    0.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3342   -1.4697    0.3131 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1397   -2.4289    1.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3477   -1.6727   -0.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0928   -2.6782   -0.5235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6747   -0.8226   -1.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8292   -0.4600   -2.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1166    0.8710    0.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3711    2.0603    0.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9937    2.0511    0.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2268    3.3311    0.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0133    3.2167    1.2593 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3167    3.2532    2.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4837    3.9163    3.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7839    3.8480    4.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9585    3.2175    5.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8426    2.6525    4.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5254    2.6776    3.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3850    4.6490    3.1764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6802    6.0526    2.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3629    6.8577    2.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5734    8.2498    2.4668 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9824    8.5543    1.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1768    9.8847    0.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9392   10.9005    1.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0900   12.1048    1.4140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5400   10.5749    2.9707 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3558    9.2828    3.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9803    9.1037    4.5302 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
  9 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
  8 18  4  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  2  0  0  0  0
 33 35  4  0  0  0  0
 35 36  4  0  0  0  0
 30 36  4  0  0  0  0
 36 37  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  35
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB443
  Mrv2015 05262116043D          

 16 18  0  0  0  0            999 V2000
   -2.0897    0.4885    2.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9742   -0.3723    3.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2267   -1.6742    3.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5930   -2.1311    1.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7134   -1.2583    1.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4531    0.0410    1.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7609   -1.5031   -0.1583 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0764    0.0630   -0.1438 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5464    0.7533    0.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1899    1.9270    1.1932 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.5066   -1.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044    1.6481   -1.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4120    2.1027   -2.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6265    1.4226   -3.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9323    0.2872   -2.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0216   -0.1703   -1.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  6  9  4  0  0  0  0
  9 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
M  END
$$$$
COVPDB444
  Mrv2015 05262116133D          

 16 18  0  0  0  0            999 V2000
   -1.9653    0.7496    2.9159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8650   -0.0364    3.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1751   -1.3494    3.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5844   -1.8846    2.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6864   -1.0929    1.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3765    0.2112    1.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7757   -1.6284   -0.2194 Se  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0619    0.0860   -0.1512 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4686    0.8425    0.8996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0605    2.0100    1.1127 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8078    0.5082   -1.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5110    1.6419   -1.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4263    2.1005   -2.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6431    1.4217   -3.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9443    0.2849   -2.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0286   -0.1729   -1.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  6  9  4  0  0  0  0
  9 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
M  END
$$$$
COVPDB445
  Mrv2015 05262116043D          

 31 34  0  0  1  0            999 V2000
  -13.7108   -2.8711   -6.5831 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6107   -1.7117   -6.4486 S   0  0  1  0  0  0  0  0  0  0  0  0
  -12.0590   -1.3417   -7.9086 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3553   -0.3628   -5.8136 F   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2745   -2.2088   -5.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5685   -1.2503   -4.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4941   -1.6187   -3.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1448   -2.9898   -3.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8428   -3.9524   -4.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9035   -3.5641   -5.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7935   -0.6435   -3.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1448    0.5611   -3.0673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7301   -0.9798   -2.2098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0143   -0.0621   -1.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8209   -0.7230   -0.6229 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9496    0.2905    0.1650 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3908   -0.3186    1.3316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8598    0.6463   -0.8555 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6405    1.0894   -0.2644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7069   -0.6722   -1.6436 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9669   -1.3629   -1.5835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2869   -0.4479   -2.9981 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0590   -0.4486   -4.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3338   -0.2052   -5.2193 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0737   -0.0480   -4.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0344   -0.1866   -3.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8836    0.2090   -5.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    0.3468   -6.8253 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2665    0.3160   -4.7689 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2831    0.1895   -3.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8689   -0.0642   -2.7256 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 15 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 22 26  4  0  0  0  0
 25 27  4  0  0  0  0
 27 28  1  0  0  0  0
 27 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 26 31  4  0  0  0  0
M  END
$$$$
COVPDB446
  Mrv2015 05262116043D          

 33 36  0  0  1  0            999 V2000
  -11.2199   -4.6120   -7.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6876   -4.5518   -6.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8776   -3.5933   -5.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2024   -2.2208   -5.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5291   -1.2490   -4.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4995   -1.6080   -3.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1537   -2.9777   -3.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8167   -3.9723   -4.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2719   -5.6537   -4.2393 S   0  0  2  0  0  0  0  0  0  0  0  0
   -7.8084   -5.7250   -3.5855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2345   -6.4554   -5.6280 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3215   -6.4471   -3.2180 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8497   -0.6176   -2.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2668    0.5664   -2.9890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7702   -0.9175   -2.1974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0479    0.0142   -1.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8625   -0.6773   -0.6577 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9689    0.2981    0.1463 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4620   -0.3460    1.3154 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8485    0.6197   -0.8539 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6127    0.9571   -0.2289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7471   -0.6777   -1.6830 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0336   -1.3170   -1.6386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3108   -0.4395   -3.0306 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0704   -0.4407   -4.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3342   -0.1932   -5.2510 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0797   -0.0300   -4.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0545   -0.1677   -3.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8800    0.2233   -5.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8501    0.3356   -6.8350 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2630    0.3344   -4.7636 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2671    0.2089   -3.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8920   -0.0459   -2.7356 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 17 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 24 28  4  0  0  0  0
 27 29  4  0  0  0  0
 29 30  1  0  0  0  0
 29 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
M  END
$$$$
COVPDB447
  Mrv2015 05262116083D          

 30 32  0  0  1  0            999 V2000
   15.0209   -5.3628    6.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6035   -5.2423    6.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7462   -6.2784    6.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3749   -6.1994    6.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6920   -7.2356    6.6232 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6541   -4.9748    6.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9560   -4.5740    4.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4268   -3.1351    4.1672 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5029   -2.0885    4.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9762   -2.9966    2.6566 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9357   -4.0878    2.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9121   -3.4435    1.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5788   -2.1089    0.8624 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3323   -1.6377    2.1552 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3420   -1.0268    3.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8299   -0.9959    0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7273    0.0671   -0.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7126    0.5838    0.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3641   -0.5452    1.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4738   -0.9848    0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6154   -0.0277   -0.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2561   -0.0462   -0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4877   -1.1687    0.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0022   -1.2469   -0.1258 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3692   -2.2839    0.6288 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2911    0.0349   -0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0553    0.0639    0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884    1.2707    0.0081 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4097    2.3915   -0.5649 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4791    1.1188   -0.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 22 30  1  0  0  0  0
M  END
$$$$
COVPDB448
  Mrv2015 05262116083D          

 30 32  0  0  1  0            999 V2000
    0.8020   -0.4904    0.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3719    0.8343    0.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8425    1.0901   -0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2141    2.2704   -0.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5529    3.3911   -0.8102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9209    4.6227   -1.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5991    4.8553   -2.0489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5920    5.7184   -0.0566 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7104    6.7667   -0.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8801    6.3114    0.6476 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8405    5.1950    1.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2105    5.5488    2.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0216    7.0801    2.6828 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7122    7.3295    1.8565 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4200    7.0367    2.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0270    7.8590    3.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0642    9.3170    3.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    9.7953    2.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7522    8.8567    1.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9509    7.2628    5.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8945    7.8418    6.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7889    7.2166    7.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    5.7561    7.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1557    5.2321    9.1976 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8416    3.8364    9.2345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5571    5.9702   10.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4695    5.4056   11.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0658    7.3336   10.0802 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2869    8.1927   11.2038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    8.0369    8.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  3  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 22 30  1  0  0  0  0
M  END
$$$$
COVPDB449
  Mrv2015 05262116043D          

 31 34  0  0  0  0            999 V2000
  -16.4110    6.0702    0.6148 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5093    5.2845    1.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7412    4.8353    2.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8072    4.0034    3.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6136    3.6186    2.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6040    2.8143    3.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7466    2.2962    4.3776 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6669    1.8501    5.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1571    1.4258    6.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0777    1.4867    7.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9781    0.5963    7.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9344    0.6887    8.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9784    1.6702    9.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0785    2.5409    9.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1215    2.4471    8.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4613    2.5812    2.4168 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2540    3.0461    1.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2288    3.7812    0.5689 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3821    4.0919    1.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3272    4.9125    0.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0325    2.8366    0.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9859    2.2683   -0.8085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7561    2.1117   -1.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5619    2.5178   -0.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5821    3.0859    0.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4035    3.5058    0.9885 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0386    3.4196    2.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7420    2.7794    3.1249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8803    3.9946    2.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1009    4.8580    2.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8256    3.2476    1.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
  6 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
  5 19  4  0  0  0  0
 19 20  4  0  0  0  0
  2 20  4  0  0  0  0
 17 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 25 31  4  0  0  0  0
 21 31  4  0  0  0  0
M  END
$$$$
COVPDB44
  Mrv2015 05262115573D          

 23 25  0  0  0  0            999 V2000
    3.5906    0.2286   -3.1860 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424    1.5688   -4.0329 S   0  0  1  0  0  0  0  0  0  0  0  0
    1.9132    1.4706   -4.7556 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3014    2.8504   -2.9695 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6166    1.8146   -5.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2643    0.7019   -5.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2683    0.8827   -6.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250    2.1878   -7.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9888    3.3012   -6.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9837    3.1149   -5.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9023   -0.2316   -7.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5880   -1.1594   -6.6583 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0485   -2.0218   -7.5029 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6380   -1.6600   -8.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9122   -0.5276   -8.6574 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9164   -2.3513   -9.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8626   -2.8414  -10.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -3.5461  -11.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8788   -4.1574  -12.8453 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4820   -3.7452  -12.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   -3.2490  -11.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1447   -3.4758  -11.9856 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2535   -2.5590  -10.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  7 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
 14 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  1  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 21 23  4  0  0  0  0
 16 23  4  0  0  0  0
M  END
$$$$
COVPDB450
  Mrv2015 05262116043D          

 31 34  0  0  0  0            999 V2000
  -11.2972   -3.9069    6.7976 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1438   -4.2559    5.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2569   -5.2530    5.1881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9781   -3.4927    5.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9026   -3.6930    5.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7104   -2.9482    5.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6123   -3.4463    4.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3886   -2.7588    4.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2218   -1.5697    5.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2855   -1.0354    5.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5233   -1.7206    5.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0970    0.1455    6.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9394    0.3232    7.3016 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6797    1.4148    8.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4949    1.4999    8.7356 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3334    0.7059    8.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1824    1.0956    9.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1734    0.8579    8.8812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6669   -0.4560    8.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9533   -0.6707    8.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7607    0.4231    7.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2840    1.7336    7.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0014    1.9482    8.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6529    2.4429    8.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4779    3.6356    8.8804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4657    4.6349    8.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6413    4.4646    8.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5553    5.4531    8.0844 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8391    3.2747    7.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8576    2.2612    7.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0451    1.1185    6.6881 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 14 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  1  0  0  0  0
 27 29  4  0  0  0  0
 29 30  4  0  0  0  0
 24 30  4  0  0  0  0
 30 31  4  0  0  0  0
 12 31  4  0  0  0  0
M  END
$$$$
COVPDB451
  Mrv2015 05262116073D          

 21 21  0  0  1  0            999 V2000
    5.0686    2.8742   -1.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6718    2.6188   -1.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.8023   -2.2005 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1387    3.2646   -0.4491 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8066    3.1147    0.0767 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9083    4.2493   -0.4958 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4654    4.0322   -0.1797 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3941    5.6369    0.0083 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5519    6.6337   -0.4330 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6306    5.6822    1.5583 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4928    6.7336    1.7950 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3410    4.5065    2.0342 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8840    3.1844    1.6381 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6242    2.7224    2.4519 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9248    2.8635    3.8425 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1498    1.2603    2.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1631    0.8971    2.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5327   -0.4480    2.6466 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4458    5.9685    2.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8097    6.0443    1.9095 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5827    6.1446    3.6395 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
$$$$
COVPDB452
  Mrv2015 05262116073D          

 21 21  0  0  1  0            999 V2000
    1.8655    0.5680    2.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1113   -0.7477    1.9709 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8962   -1.7757    2.6545 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5611   -0.8240    0.6879 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8180   -2.0274   -0.0603 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2754   -2.5220    0.1987 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4722   -3.8545   -0.2795 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3191   -1.5650   -0.4411 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5916   -2.0786   -0.3012 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9909   -1.2669   -1.9379 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2635   -2.3766   -2.7129 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6105   -0.8625   -2.1089 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5693   -1.7177   -1.5756 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2857   -2.9693   -2.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0359   -2.6341   -3.9692 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7682   -1.9953   -4.1212 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0622   -3.8820   -4.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3490   -4.4909   -4.8913 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7930   -0.1316   -2.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6215   -0.2557   -3.5180 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7022    1.0014   -1.9261 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
$$$$
COVPDB453
  Mrv2015 05262116073D          

 26 29  0  0  0  0            999 V2000
    4.5883   -1.9939   -1.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -2.6998   -2.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2218   -3.4440   -3.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8454   -3.4687   -2.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3436   -2.7775   -1.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2138   -2.0465   -0.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6415   -1.2048    0.5901 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1753   -1.9713    1.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1910   -3.3534    1.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2282   -4.0272    1.1773 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0399   -4.0122    1.9173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1510   -3.2584    2.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0527   -5.3872    2.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0907   -6.0077    2.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2679   -5.2645    2.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3017   -3.9001    2.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0471   -1.2428    1.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1399   -1.8724    1.7712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2058   -1.2107    1.8370 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0084    0.0998    1.2016 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1471    0.7026   -0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9065    1.8216   -0.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9725    2.7669    0.8461 N   0  0  2  0  0  0  0  0  0  0  0  0
    2.0039    3.8314    0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1065    2.0825    2.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0426    0.9738    2.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 12 16  4  0  0  0  0
  8 17  2  0  0  0  0
 17 18  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 26  1  0  0  0  0
M  END
$$$$
COVPDB454
  Mrv2015 05262116073D          

 21 21  0  0  1  0            999 V2000
   -3.0205   -5.6274   -0.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5881   -4.7259   -1.6003 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9332   -5.3850   -2.8188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2102   -3.2930   -1.6139 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6350   -3.4054   -1.6384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7964   -2.3332   -0.4468 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6407   -1.1481   -0.3698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4278   -0.0653   -1.3188 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0853    1.0202   -0.7836 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9162    0.3363   -1.4218 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6565    1.1961   -2.4693 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0633   -0.8748   -1.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1831   -1.0346   -2.3316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2905   -1.9137   -0.4216 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9863   -1.3562    0.8646 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2135   -1.3880    1.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3460   -0.7419    2.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2197   -1.9406    0.9986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1276   -0.3451   -2.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4975   -0.3311   -3.7986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3519   -0.6122   -2.6008 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
$$$$
COVPDB455
  Mrv2015 05262116073D          

 23 24  0  0  1  0            999 V2000
   -0.6533   -2.8948    0.2626 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5502   -2.6166   -0.6449 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.4814   -3.0216   -2.1217 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -1.9113   -0.0388 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1757   -2.3034    1.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5074   -1.8403    1.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6738   -0.5366    2.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9391   -0.0865    2.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0522   -0.9401    2.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9204   -2.2620    2.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6371   -2.6893    1.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0434   -3.1328    2.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2710   -2.7481    2.6566 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9568   -4.3007    1.7867 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9335   -0.4919   -0.2240 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9938    0.4059    0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0991    0.0395    0.6843 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3056    1.8482    0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    2.2949   -1.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8116    2.4658   -1.8754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7652    2.8926   -3.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837    3.0924   -3.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3485    2.7109   -2.4532 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 19 23  4  0  0  0  0
M  END
$$$$
COVPDB456
  Mrv2015 05262116073D          

 28 30  0  0  1  0            999 V2000
    4.3759   -2.3107   -1.5841 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4424   -2.5606   -0.3958 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.9754   -3.2801    0.8459 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9377   -1.8901   -0.3687 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1626   -2.1782   -1.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8520   -3.5609   -1.8695 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0344   -4.3075   -1.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0642   -5.5437   -1.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7415   -5.4712   -2.8063 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2720   -4.2887   -2.8575 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8722   -6.6508   -1.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4210   -7.4750   -2.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2456   -8.5623   -2.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5149   -8.8567   -0.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9776   -8.0594    0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1652   -6.9523   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2401   -8.3716    1.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0237   -9.4175    2.0669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7551   -7.7000    2.6434 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1110   -0.4852   -0.1993 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1605    0.3828    0.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0436   -0.0112    0.6587 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4659    1.8243    0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514    2.2909   -1.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8652    2.5279   -1.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    2.9300   -3.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4503    3.0470   -3.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3784    2.6259   -2.3259 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  6 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 24 28  4  0  0  0  0
M  END
$$$$
COVPDB457
  Mrv2015 05262116043D          

 46 49  0  0  1  0            999 V2000
   -6.3187   -1.1277   -5.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7911   -1.3159   -5.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3002   -0.9892   -4.1799 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3784   -0.0392   -3.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9104    0.7292   -4.7064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9544    0.0870   -2.4056 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5479    0.7578   -2.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9915    0.7273   -0.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0348   -0.6345   -0.3295 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3749   -1.1875   -0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9849   -1.2864   -1.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0981   -1.3869   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0245   -2.6077    0.2222 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3718   -0.8746   -0.0752 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968   -1.6212    0.0926 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8209   -0.7161   -0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8071   -0.2840   -1.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1980   -1.1794   -2.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0970   -0.8134   -4.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6121    0.4590   -4.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4873    0.8034   -5.7171 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2469    1.3701   -3.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3566    1.0063   -2.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6919   -2.2959    1.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3729   -3.3447    1.5009 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9501   -1.8510    2.4729 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4735   -2.6287    3.6077 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3750   -3.7715    4.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7793   -3.3061    4.9822 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3948   -4.5215    5.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9012   -5.0289    6.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4085   -6.2234    7.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4293   -6.9240    6.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9525   -6.4195    5.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4410   -5.2269    4.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1102   -1.6474    4.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1331   -1.4615    5.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4536   -0.3073    6.3581 S   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0396   -0.1242    6.5411 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1733    1.1179    5.9606 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2665   -0.8667    7.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6520   -0.7538    8.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1877   -1.2514    9.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3380   -1.8369   10.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0413   -1.9097   10.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5264   -1.4325    8.8282 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 20 22  4  0  0  0  0
 22 23  4  0  0  0  0
 17 23  4  0  0  0  0
 15 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 30 35  4  0  0  0  0
 27 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  2  0  0  0  0
 38 41  1  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 41 46  4  0  0  0  0
M  END
$$$$
COVPDB458
  Mrv2015 05262116073D          

 15 16  0  0  0  0            999 V2000
    2.6273    1.8273   -1.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1837    1.7454   -1.9206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4968    2.4160   -2.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0649    3.3692   -3.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8367    2.0042   -2.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7868    2.3593   -3.6098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8937    1.1431   -1.8486 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2466    1.0085   -1.2784 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8339    0.3870   -1.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0342    0.2820   -1.5990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1943   -0.2545   -0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8053   -1.2092    0.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1435    0.1785   -0.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2001   -0.2070    0.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3361   -1.5535   -0.0391 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  2  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  2  0  0  0  0
  9 11  4  0  0  0  0
 11 12  1  0  0  0  0
 11 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
$$$$
COVPDB459
  Mrv2015 05262116073D          

 21 21  0  0  1  0            999 V2000
    1.4425    0.5294   -1.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1014    1.1091   -1.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0369    2.3514   -1.1248 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9576    0.2918   -1.4885 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3353    0.6878   -1.6235 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0244    0.6067   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0762   -0.8557    0.2785 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7356   -0.9188    1.4857 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6775   -1.8276   -0.7904 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2665   -3.0939   -0.4408 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1054   -1.6078   -2.1072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0507   -0.2598   -2.6449 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4418    0.2192   -3.1923 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9878   -0.7870   -4.0498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4834    1.5794   -3.9621 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8506    1.9335   -4.1871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7562    1.6020   -5.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3429    1.5616   -5.1739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1598   -1.9016   -0.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9634   -1.0925   -0.1257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7178   -2.7301   -1.6085 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
$$$$
COVPDB45
  Mrv2015 05262115573D          

 24 26  0  0  0  0            999 V2000
   -6.4577    8.8004    4.5721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8907    7.8569    3.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5724    8.1624    2.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8604    9.7031    1.7909 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.0005    7.1759    1.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7289    5.8896    2.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0376    5.5920    3.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6246    6.5681    4.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0042    6.1655    5.8959 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1587    4.9134    1.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6921    4.4542    0.1501 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8980    3.5533   -0.3271 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8438    3.4505    0.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9865    4.2959    1.5356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7526    2.5942    0.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4434    3.1123    0.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6453    2.2445    0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4329    0.8560   -0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8696    0.3270    0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9604    1.2017    0.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1460   -1.4198   -0.0327 S   0  0  1  0  0  0  0  0  0  0  0  0
    0.1852   -2.2400    0.5417 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4139   -1.8505    0.8512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3941   -1.8630   -1.5543 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  2  0  0  0  0
M  END
$$$$
COVPDB460
  Mrv2015 05262116043D          

 18 19  0  0  0  0            999 V2000
   -1.6320    2.1762    3.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2707    2.7781    4.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5253    2.3130    4.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1324    1.2415    4.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4927    0.5874    2.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2313    1.0881    2.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0855   -0.4736    2.2768 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9284   -1.4013    2.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8591   -1.5302    4.1527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8459   -2.2201    2.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6146   -3.1598    2.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7587   -0.6376    0.8631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6289    0.2896    0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6770    0.5475    1.3893 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3264    0.2910    1.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4529    0.3476    2.2262 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1968   -0.0467    0.0229 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5838   -0.2131   -0.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$
COVPDB461
  Mrv2015 05262116043D          

 17 18  0  0  0  0            999 V2000
    5.2283    4.2174   -5.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9424    3.8471   -4.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976    2.7285   -3.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7163    1.9796   -4.8174 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0357    2.4519   -2.6017 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3117    1.4470   -2.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0915    0.9436   -2.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187   -0.1126   -1.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9609   -0.7089   -0.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1565   -0.1713   -0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8085    0.9056   -0.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3392   -1.8227   -0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0130   -1.9864   -0.1107 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6126   -3.0497    0.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1701   -4.0286    1.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5646   -3.8641    1.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0994   -2.7735    0.5056 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
M  END
$$$$
COVPDB462
  Mrv2015 05262116073D          

 25 27  0  0  0  0            999 V2000
    5.5500   -3.0964   -2.5394 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1507   -2.9598   -1.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0018   -2.4776   -1.1299 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9573   -3.3193   -0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3451   -3.5785   -0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1364   -3.8813    0.7615 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6434   -3.9691    1.9665 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3063   -4.2542    3.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3863   -4.2982    4.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1399   -4.0105    3.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3348   -3.7772    2.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4426   -3.4054    1.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1402   -3.1276    1.4902 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7403   -2.0009    2.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720   -1.7940    2.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3964   -2.6490    2.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0138   -2.3910    2.9471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5137   -1.2985    2.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3317   -0.4690    1.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2213    0.5742    0.7865 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1216    1.0158   -0.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9020    0.3586   -1.1932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4099    2.1763   -0.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8923    3.1975   -0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7236   -0.7169    1.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
 11 12  4  0  0  0  0
  4 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 25  4  0  0  0  0
 15 25  4  0  0  0  0
M  END
$$$$
COVPDB463
  Mrv2015 05262116043D          

 16 17  0  0  0  0            999 V2000
    5.8371   -3.7870    1.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2386   -4.9555    0.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9963   -4.8799   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3448   -3.6408   -0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8848   -2.4503    0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1780   -2.5361    0.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2314   -1.2021    0.2904 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8307   -1.0783    0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1298   -2.0725    0.5851 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1252    0.0956   -0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2052    0.2589    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0484    0.0106    0.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5746   -0.2366    0.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7858   -1.3635    1.3539 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5864   -1.2512    2.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1121   -0.1458    3.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$
COVPDB464
  Mrv2015 05262115503D          

 17 17  0  0  0  0            999 V2000
    1.5186   -0.1621    0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0779   -0.1104    0.0838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4370    0.6242    1.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6898   -0.0980    2.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1845    0.5494    3.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3898    1.9339    3.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1434    2.6719    2.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3467    4.0278    2.3279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1694    4.7569    2.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7249    2.0220    1.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6029    2.7633   -0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9347    3.9727   -0.2392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1463    2.2242   -1.3624 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0607    2.9446   -2.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8768    2.0179   -3.6578 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.9844    1.0795   -3.1750 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5314    2.0773   -5.1469 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  4  0  0  0  0
  3 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
$$$$
COVPDB465
  Mrv2015 05262116073D          

 16 16  0  0  0  0            999 V2000
   -0.0261   -2.3006    0.4948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7867   -0.9763    0.6153 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2495    0.3351   -0.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0421    0.1131   -0.7937 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3220   -0.5835   -1.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6941   -0.5050   -2.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1583    0.2246   -1.0568 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1545    0.5783   -0.3135 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4590   -1.0587   -3.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8694   -1.7353   -4.1325 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7029   -0.9297   -3.1352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1691   -0.9955    1.2975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3029    0.0964    2.4495 P   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0267    0.0585    3.3874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5652   -0.2781    3.3339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4822    1.4384    1.8856 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
M  END
$$$$
COVPDB466
  Mrv2015 05262116073D          

 27 28  0  0  0  0            999 V2000
    2.8259    3.5651   -7.0668 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0101    2.8020   -5.7462 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.5339    2.5647   -5.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4832    2.3070   -3.7241 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0415    1.7936   -3.0605 S   0  0  2  0  0  0  0  0  0  0  0  0
    5.8922    1.7701   -1.4630 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1246    2.9071   -3.4557 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4057    0.1503   -3.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2968   -0.7241   -3.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3879   -2.0142   -4.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5960   -2.4774   -4.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7284   -1.6345   -4.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6739   -0.3287   -4.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9298    0.4835   -3.9982 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9100    1.4983   -4.9192 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0921   -0.2112   -4.2427 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0956    0.9939   -2.7332 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6601   -3.7499   -5.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6900   -4.6761   -5.4067 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1480   -5.6808   -6.0809 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3594   -5.4418   -6.4682 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6868   -4.2725   -6.0391 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8620    1.9669   -5.1424 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759    2.7469   -5.1831 P   0  0  2  0  0  0  0  0  0  0  0  0
    0.6574    4.1937   -4.5653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5525    1.9535   -4.2736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0353    2.8356   -6.5554 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 18 22  4  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  22
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB467
  Mrv2015 05262116073D          

 22 22  0  0  0  0            999 V2000
   -0.6529   -4.6416    2.8920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1284   -3.2020    2.7910 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1805   -2.4659    1.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1145   -1.0047    1.5008 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0313   -0.1255   -0.0220 S   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0235   -0.6964   -1.0847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2878    1.4189    0.2655 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7427   -0.2851   -0.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8983    0.3473   -1.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4092    1.6579   -2.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5980    2.2400   -3.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2812    1.5196   -4.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7514    0.2096   -4.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5562   -0.3563   -3.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4380   -0.5102   -5.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6288    0.0191   -6.8680 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9762   -1.6738   -5.6013 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7770   -2.5853    3.8781 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4129   -3.0741    5.3479 P   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0997   -2.7396    5.6780 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3221   -2.2652    6.3626 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6678   -4.5097    5.5026 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
$$$$
COVPDB468
  Mrv2015 05262116073D          

 23 24  0  0  0  0            999 V2000
    8.0789    2.9813    1.0348 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6807    2.8218    0.4220 B   0  0  0  0  0  0  0  0  0  0  0  0
    6.2218    3.8736   -0.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1180    3.2690   -1.5196 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3267    4.4145   -2.6045 S   0  0  2  0  0  0  0  0  0  0  0  0
    3.3412    3.5819   -3.5582 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4374    5.1338   -3.5114 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3948    5.5801   -1.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5522    6.9672   -1.8391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8399    7.8804   -1.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9524    7.4289   -0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7778    6.0324    0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4891    5.1185   -0.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2669    8.3553    0.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4060    9.6898    0.8025 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6114   10.1596    1.7090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0273    9.1885    2.2784 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586    8.0841    1.7378 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5760    1.9937    1.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1118    0.6075    1.6759 P   0  0  2  0  0  0  0  0  0  0  0  0
    6.8811   -0.1812    0.5384 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511   -0.2592    2.0938 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9779    0.8182    2.8407 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 14 18  4  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  18
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB469
  Mrv2015 05262116043D          

 14 14  0  0  0  0            999 V2000
   -4.9775   -0.4909    1.8478 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7837   -0.0786    1.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6451    1.0988    0.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9987    2.0049    0.2598 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3617    1.5353    0.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2242    0.8064    0.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3636   -0.3609    1.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6429   -0.8092    1.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8275   -1.9421    2.6515 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0352   -2.4321    3.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0453   -1.7996    4.0885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3478   -3.7448    4.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7780   -3.6396    5.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0515   -5.2860    6.4328 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
$$$$
COVPDB46
  Mrv2015 05262115573D          

 25 27  0  0  0  0            999 V2000
   -4.8186    5.9124   -8.0454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4292    5.2508   -6.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3957    4.8044   -5.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0509    5.0563   -6.2623 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.9871    4.1353   -4.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6192    3.8966   -4.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6585    4.3302   -5.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0576    5.0137   -6.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8718    5.5453   -7.7762 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2147    3.2342   -3.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4735    3.6347   -2.1648 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9385    2.7810   -1.3556 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3559    1.8217   -2.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5037    2.0911   -3.4033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7048    0.6909   -1.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5865    0.8606   -0.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0971   -0.2571   -0.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3595   -1.5531   -0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4776   -1.7303   -1.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1503   -0.6149   -1.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6397   -0.9317   -2.9794 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5109   -0.0255    0.8134 S   0  0  1  0  0  0  0  0  0  0  0  0
    2.5612   -1.3072    0.6485 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2995    1.3164    0.4253 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0560    0.0604    2.3489 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 20 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  2  0  0  0  0
M  END
$$$$
COVPDB470
  Mrv2015 05262115553D          

 14 13  0  0  1  0            999 V2000
    2.9335    2.9481    0.7430 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5451    2.9155    0.4061 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1122    1.4255    0.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1898    1.2907   -0.1848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8608   -0.1574   -0.1260 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0257   -1.1794   -1.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8880   -0.6750    1.3712 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2344   -0.0667   -0.6354 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7622    3.8436    1.3949 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3632    5.1386    1.3603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7704    4.0039    1.1283 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0035    4.4903   -0.1921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4980    4.8934    2.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9510    5.4608    3.0339 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
$$$$
COVPDB471
  Mrv2015 05262116103D          

 36 40  0  0  1  0            999 V2000
  -10.3402    9.7785   -6.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7476   10.0298   -6.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0387    8.8658   -5.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6176    8.9828   -5.7144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6646    8.1192   -5.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0640    7.1750   -4.5233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3288    8.3030   -5.5588 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8690    9.5378   -6.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8124   10.2163   -5.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8377    9.3316   -4.6132 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2024    7.9414   -4.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2629    7.3325   -5.3489 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6243    5.8771   -4.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6257    9.8822   -4.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4900   11.1329   -4.1810 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5410    9.1766   -3.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    8.0869   -2.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8151    9.5589   -4.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9823    8.8521   -3.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9083    7.6944   -3.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6357    7.3090   -2.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0193    6.8748   -2.7352 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6117    7.2586   -3.1866 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8194    5.6658   -2.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5161    5.2704   -1.6525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991    6.1392   -1.8956 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1850    3.9910   -1.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0522    3.8277   -0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6055    2.5485    0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2738    1.3956   -0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    1.5499   -1.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9077    2.8294   -1.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7337    0.0442   -0.0794 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2605   -0.6880    1.0755 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4285   -0.8452   -1.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7232   -0.2747   -0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  4  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 17 21  4  0  0  0  0
 20 22  4  0  0  0  0
 22 23  1  0  0  0  0
 22 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 25 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
$$$$
COVPDB472
  Mrv2015 05262115523D          

 27 29  0  0  0  0            999 V2000
   12.0793   -2.8861    3.8202 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8635   -2.7874    3.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9198   -1.8652    3.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2312   -1.0086    4.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6695   -1.7525    3.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3252   -2.5339    1.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2978   -3.4546    1.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5578   -3.6025    2.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5365   -4.5895    1.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0580   -2.3433    1.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5161   -2.9811    0.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2382   -2.7714   -0.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435   -3.5338   -1.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5805   -3.3674   -1.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6716   -2.4268   -1.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0142   -1.6393   -0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2962   -1.8339    0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1206   -0.6747    0.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4822   -0.0034    1.2168 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8668   -0.4396   -0.2949 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0176    0.4872    0.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8407    0.1257    1.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5796    1.1128    1.9847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4733    2.4630    1.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1259    3.3834    2.2527 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6573    2.8198    0.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0810    1.8319   -0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  1  0  0  0  0
 24 26  4  0  0  0  0
 26 27  4  0  0  0  0
 21 27  4  0  0  0  0
M  END
$$$$
COVPDB473
  Mrv2015 05262116103D          

 42 45  0  0  1  0            999 V2000
    1.7750    7.1010   -7.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9492    5.6563   -7.5356 N   0  0  1  0  0  0  0  0  0  0  0  0
    2.0942    5.4050   -6.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3915    3.9107   -5.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    3.0133   -6.4221 N   0  0  2  0  0  0  0  0  0  0  0  0
    1.5894    1.5531   -6.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5845    1.2198   -4.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3896    1.2857   -3.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3933    1.0320   -2.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.7118   -1.8869 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7806    0.6331   -2.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7796    0.8719   -4.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6178    0.5014   -0.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7156    0.5951    0.1269 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4929    0.2133    0.2492 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8414   -0.4223    2.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.8290   -5.7190    0.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3215   -2.9879   -0.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4228   -3.3151   -1.0793 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8847    0.4620    2.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    3.2970   -7.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8922    4.7917   -8.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
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 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 32 38  1  0  0  0  0
 38 39  3  0  0  0  0
 21 40  4  0  0  0  0
 17 40  4  0  0  0  0
  5 41  1  0  0  0  0
 41 42  1  0  0  0  0
  2 42  1  0  0  0  0
M  END
$$$$
COVPDB474
  Mrv2015 05262115473D          

 49 49  0  0  1  0            999 V2000
    1.1462   -0.2751   -9.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2232    0.9066   -9.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6544   -2.8186   -7.2690 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2926   -4.5585   -6.0460 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -2.0169   -3.0272   -2.3919 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8508   -3.7496   -0.2202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0495   -1.6946   -0.7787 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2941   -5.4801   -9.3879 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -1.4435   -5.4320  -10.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 41 46  4  0  0  0  0
 18 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
M  END
$$$$
COVPDB475
  Mrv2015 05262115573D          

 37 37  0  0  1  0            999 V2000
    6.6320   -9.3337   -4.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2790   -9.1301   -5.2958 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1957   -8.5284   -4.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5045   -7.1560   -3.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2744   -6.6343   -2.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3644   -5.2036   -1.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6181   -8.4931   -8.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7885   -7.3871   -8.7192 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6126   -6.2623   -7.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2921   -5.3256  -11.2535 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3307   -6.8894   -9.9574 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
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  2 26  1  0  0  0  0
 26 27  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
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 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 31 37  1  0  0  0  0
M  END
$$$$
COVPDB476
  Mrv2015 05262115473D          

 29 31  0  0  1  0            999 V2000
    1.7430    0.2183   -0.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.2896    3.2296    7.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2141    3.4368    9.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0824    4.7484    8.9291 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8602    5.3536    9.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8508    5.8694    9.3242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2418   -1.5334    1.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917   -1.0919    1.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  3  0  0  0  0
  8 28  4  0  0  0  0
 28 29  4  0  0  0  0
  5 29  4  0  0  0  0
M  END
$$$$
COVPDB477
  Mrv2015 05262116043D          

 21 22  0  0  0  0            999 V2000
    0.4591    1.3588    5.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580    1.8075    6.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0077    0.8904    7.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7758   -0.4742    7.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4352   -0.9677    5.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2637   -0.0225    4.7499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2204   -2.3288    5.5516 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8842   -3.3387    6.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9515   -3.0520    6.8637 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4620   -4.6714    6.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1173   -5.6624    6.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6691   -2.6970    4.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1548   -1.5203    3.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1443   -0.4883    3.5102 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3569   -0.0068    2.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2978    0.8209    2.2929 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1410   -0.4409    1.1091 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241    0.0018   -0.2410 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6272   -0.1265   -0.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3728    1.4698   -0.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7259   -0.9329   -1.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
$$$$
COVPDB478
  Mrv2015 05262115443D          

 31 33  0  0  1  0            999 V2000
   -4.3491   -0.5354    0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3041   -1.2845   -0.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7379   -2.2048   -1.3661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9381   -1.0504   -0.5631 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3307   -0.0300    0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1932   -0.2147    0.1017 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8782    1.0371    0.0469 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3555   -1.0322   -1.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9789   -1.8041   -1.3251 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9050   -3.2212   -0.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2165   -4.1232   -1.6900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5271   -3.5331    0.3976 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4696   -4.8637    0.9353 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3096   -4.8794    2.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8434   -4.6630    2.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931   -4.6869    3.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9988   -4.8702    3.3083 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9367   -4.7460    4.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1649   -5.0870    3.9238 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7107   -4.3174    5.4269 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8384   -5.4255    1.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7327   -4.6806    1.6043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1680   -6.7786    0.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3912   -7.3347    1.0925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5034   -8.6687    0.8444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6817   -9.4261    0.9917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6626  -10.8084    0.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4727  -11.4336    0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2872  -10.6855    0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3341   -9.3151    0.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1049   -8.0720    0.3435 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 13 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 30 31  4  0  0  0  0
 23 31  4  0  0  0  0
M  END
$$$$
COVPDB479
  Mrv2015 05262116123D          

 10 10  0  0  0  0            999 V2000
    2.0247   -0.1488   -0.1650 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1821    0.4154   -0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3894    1.0705    0.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3606    1.1989    1.8797 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7411    1.5510    0.9409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6298    1.4295   -0.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9533    1.9026   -0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4252    2.5122    1.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5705    2.6468    2.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2468    2.1722    2.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
M  END
$$$$
COVPDB47
  Mrv2015 05262116113D          

 10  9  0  0  1  0            999 V2000
    0.1219    2.5562   -0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7308    1.1390   -0.1312 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3693    0.2035   -0.2268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0947   -1.3092    0.2119 P   0  0  2  0  0  0  0  0  0  0  0  0
    0.8669   -1.9921   -0.8455 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4799   -2.0780    0.1805 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4811   -1.3811    1.5586 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7636    0.9191   -1.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0450    0.6478   -0.8324 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4711    0.9570   -2.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
$$$$
COVPDB480
  Mrv2015 05262115473D          

 26 28  0  0  1  0            999 V2000
    0.5264    4.8784   -1.6522 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4222    3.5308   -1.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3347    2.9006   -2.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4165    2.8721   -0.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5898    3.5999    0.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5885    2.9527    2.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4409    1.5545    2.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4758    0.7919    3.7495 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2650    0.8072    1.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0933   -0.5515    1.0859 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3121   -1.2930    0.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9516   -2.7585    0.5283 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0001   -2.8839   -0.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3550   -4.2300   -1.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7401   -4.5990   -0.7452 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1556   -3.5371    0.1891 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8111   -4.9119   -1.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2272   -6.0964   -1.7082 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3975   -4.0350   -2.6474 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -2.6837   -2.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0294   -2.0870   -3.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6181   -3.3222   -4.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5277   -4.4143   -3.4630 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6782   -4.4911   -2.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6328   -4.5487   -2.0655 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2423    1.4692   -0.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  3  0  0  0  0
  9 26  4  0  0  0  0
  4 26  4  0  0  0  0
M  END
$$$$
COVPDB481
  Mrv2015 05262115463D          

 10  9  0  0  0  0            999 V2000
    2.8349    0.4665    0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5299    0.4442    0.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2008    1.3543    1.7424 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6885   -0.6084    0.7683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2259   -0.7248   -0.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0438   -2.0408   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9878   -2.4422   -1.3010 N   0  3  2  0  0  0  0  0  0  0  0  0
   -2.6769   -3.7344   -0.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2308   -2.6875   -2.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0482   -1.3882   -1.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  CHG  1   7   1
M  END
$$$$
COVPDB482
  Mrv2015 05262115473D          

 29 31  0  0  1  0            999 V2000
    1.5891    6.2661   -6.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310    5.5560   -7.6486 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7617    5.7542   -8.8987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    6.3371   -7.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5330    4.0662   -7.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0566    3.3432   -8.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2582    1.9410   -8.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655    1.2271   -7.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6823    1.9048   -6.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8025    3.3101   -6.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1636    3.8557   -5.0832 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0255    4.0219   -4.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5025    4.3900   -2.7773 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6571    4.6615   -1.7927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0943    4.2922   -0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1860    3.4747   -0.7101 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2676    3.2859   -2.1706 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3376    2.1972    0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3216    2.1641    0.8298 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5241    1.0670   -0.0257 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6855    0.9427   -0.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0774   -0.5458   -0.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655   -1.0060    0.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8060   -0.1341    0.7222 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9275   -0.7639    0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8677   -1.2740   -0.1902 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8651    1.2613   -9.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0857   -0.0760   -9.5877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2397    1.8587  -10.6595 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  3  0  0  0  0
  7 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
$$$$
COVPDB483
  Mrv2015 05262116153D          

 21 22  0  0  1  0            999 V2000
    6.0765    4.6933    3.3241 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7544    3.4876    3.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5005    3.2047    2.7953 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0759    1.9278    2.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8959    1.7889    2.2321 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9070    0.8625    2.8860 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1743    1.1246    3.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6485    2.4410    3.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0230    2.7123    4.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4509   -0.5027    2.6720 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2374   -0.8351    1.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4936   -2.3487    1.1126 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2812   -3.0626    1.3999 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1390   -4.4150    1.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1065   -5.1636    1.1091 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8303   -5.0081    1.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4904   -4.4464    0.4336 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.5847   -2.5176    2.2014 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3091   -1.5306    3.2065 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0350   -2.3571    1.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9700   -2.4721    2.7400 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  2  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 10 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   3
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB484
  Mrv2015 05262115423D          

 31 33  0  0  1  0            999 V2000
   -2.2177    0.8025   -5.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1791    1.4874   -6.5841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.4320   -7.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9920    0.6747   -8.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0140   -0.0318   -8.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    0.0276   -6.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3014   -0.6995   -5.9807 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.4880    0.1171   -5.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4324    1.5023   -5.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5528    2.1818   -4.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7571    1.4940   -4.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8449    0.1279   -4.8097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7271   -0.5466   -5.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9224   -1.5790   -4.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0334   -2.8203   -4.9649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6449   -1.0137   -3.6187 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9552   -1.5248   -2.3129 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3779   -0.5806   -1.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1433    0.1037   -0.5963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0257   -0.5150   -1.1663 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3386    0.2299   -0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0087   -0.0671   -0.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1060   -0.3378   -0.2929 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5848   -2.9996   -1.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2417   -3.3890   -0.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5320   -3.3739    0.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1850   -3.6263    1.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4163   -3.5571    3.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5692   -3.9120    1.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2806   -3.9619    0.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6214   -3.7036   -0.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  3  0  0  0  0
 17 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  1  0  0  0  0
 27 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 25 31  4  0  0  0  0
M  END
$$$$
COVPDB485
  Mrv2015 05262115453D          

 22 23  0  0  0  0            999 V2000
    0.4143   -2.3756   11.8605 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5798   -1.2883   11.2372 S   0  0  2  0  0  0  0  0  0  0  0  0
    2.9234   -1.4830   12.0901 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0349    0.2027   11.4649 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -1.6071    9.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1014   -2.0184    9.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3840   -2.2591    7.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3938   -2.0598    6.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0861   -1.6501    7.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0888   -1.4225    6.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4044   -1.5441    4.8196 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0971   -0.7362    3.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6009   -1.1033    2.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3077   -0.1298    1.4217 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7373   -0.1800    0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4041   -1.1507   -0.2964 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4098    0.9353   -0.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2635    2.7406   -0.0487 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2197   -1.0775    6.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5306   -0.9280    7.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5363   -1.0949    8.8822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7884   -1.4507    8.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
  5 22  4  0  0  0  0
  9 22  4  0  0  0  0
M  END
$$$$
COVPDB486
  Mrv2015 05262116043D          

 18 19  0  0  0  0            999 V2000
    1.5391    0.1718   -0.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2372   -0.0614    0.2335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4212    0.6783    1.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1335    1.6970    1.6594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7061    0.2597    1.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3254    0.8203    2.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4055   -0.7520    0.9338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6334   -1.2376    1.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2025   -0.7686    2.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5572    0.3220    3.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3761   -1.3276    3.1328 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2423   -0.4292    3.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4316    0.2558    5.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1740    0.9775    4.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6695   -2.6895    2.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7306   -3.4966    2.7762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9554   -3.2261    3.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2655   -4.5257    3.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  6 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
$$$$
COVPDB487
  Mrv2015 05262115573D          

 13 13  0  0  0  0            999 V2000
   -3.0744    0.2536   -1.7620 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1451    1.3388   -1.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966    1.9640   -0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5639    3.0760    0.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8504    4.3963   -0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9536    5.4448    0.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2480    5.1939    0.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5382    3.8796    1.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    2.8293    0.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3702    6.5186    1.1540 S   0  0  2  0  0  0  0  0  0  0  0  0
    2.9345    5.9507    1.2184 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0148    7.1682    2.5771 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2970    7.6575    0.0264 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  2  0  0  0  0
M  END
$$$$
COVPDB488
  Mrv2015 05262115513D          

 45 47  0  0  1  0            999 V2000
    0.3953    6.8200    1.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4777    6.0793    0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131    5.1071    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6387    4.2823   -1.3422 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6579    3.6653   -1.7882 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5530    2.7695   -1.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6226    2.3342   -1.7014 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2951    2.2521    0.2349 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5279    1.6107    0.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4779    1.7586    2.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7036    3.0285    3.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7119    3.1849    4.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4949    2.0732    5.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2491    0.8103    4.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2342    0.6539    3.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1576    1.3700    0.2520 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0330    0.2167   -0.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9447   -0.1280   -1.2694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1289   -0.7047   -0.3597 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5189   -0.0388   -0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0806    0.6859   -1.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2640    1.5063   -1.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2007    2.8531   -1.1408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3384    0.9750   -0.6915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8192   -1.7378    0.5790 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7474   -1.6248    1.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0145   -0.5626    2.5425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3832   -2.6913    2.6993 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1385   -3.9372    2.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3409   -4.8515    3.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6323   -5.3063    3.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8049   -6.1854    4.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6893   -6.6176    5.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5992   -6.1679    5.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724   -5.2883    4.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414    5.2156   -2.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1604    5.4522   -2.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3717    6.3453   -3.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5334    6.3070   -4.9282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4488    7.2901   -4.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3563    7.4932   -2.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3794    8.4573   -3.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5168    9.2452   -4.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6372    9.0629   -5.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6227    8.0939   -5.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 30 35  4  0  0  0  0
  4 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 40 45  4  0  0  0  0
M  END
$$$$
COVPDB489
  Mrv2015 05262115573D          

 43 45  0  0  1  0            999 V2000
   -2.5931    3.8338   -4.9372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0611    4.8576   -4.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8900    5.9795   -5.1535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2766    7.0028   -4.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7328    6.2597   -3.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5694    4.9620   -3.0697 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7474    5.0017   -2.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483    4.6758   -0.5358 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7542    3.3883   -0.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3275    2.2091   -0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6228    1.0197   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2587   -0.0366    0.2226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2555    0.9923   -0.1088 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6061   -0.1473    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0753    0.3016   -0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6927    5.5747    0.2980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8348    6.8859    0.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    7.1376    1.7162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5804    8.0183    0.0139 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6989    9.3242   -0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3841    9.2324   -0.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931    8.8346   -0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0313    8.7624   -0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1220    9.1135   -2.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2698    9.0554   -2.7028 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9682    9.5294   -2.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2727    9.5871   -2.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9347    8.3176    0.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1898    7.6823    0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1367    6.8393   -0.6614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5443    7.9997    0.8165 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2429    9.2452    0.1428 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.3472    9.1312   -1.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6689   10.6352    0.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4382    7.9793    2.2525 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3838    8.2454    3.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5250    8.6515    2.8742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0954    8.0592    4.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9323    8.5205    5.5365 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2765    8.0799    6.6434 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0712    7.3707    6.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2048    6.7935    7.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9641    7.3793    5.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  1  0  0  0  0
 24 26  4  0  0  0  0
 26 27  4  0  0  0  0
 21 27  4  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  1  0  0  0  0
 41 43  4  0  0  0  0
 38 43  4  0  0  0  0
M  END
$$$$
COVPDB48
  Mrv2015 05262115573D          

 45 48  0  0  1  0            999 V2000
   -7.6064   -7.6148    3.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5953   -6.0599    3.7954 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.0196   -5.5214    3.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6065   -5.6137    2.8316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4459   -4.3410    2.8080 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4744   -3.6614    2.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5802   -2.2708    2.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6648   -1.7398    2.7514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5123   -1.4627    2.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5223   -0.0329    2.1719 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2389    0.7033    1.6495 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0327   -0.1895    1.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9354    0.6033    0.8045 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3079    0.1270    0.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5810   -1.0918    0.6074 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3141    1.0025    0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1883    2.3423   -0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4590    2.7752   -0.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2826    1.7198   -0.4896 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6165    0.6726   -0.0832 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8527    4.0672   -1.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9556    4.8667   -1.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3623    6.1286   -2.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5637    6.8256   -2.9611 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6597    6.5986   -2.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1009    7.8063   -2.4558 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5162    5.7885   -1.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1056    4.5660   -0.8079 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9680    3.8935   -0.0892 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.0557    1.1520    0.5731 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1602    0.5525    0.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3331    0.5158    0.5596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7909    2.1650   -0.7738 S   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8870    3.4716   -0.6789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0782    1.3686   -2.1335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3014    2.7499   -0.7813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3683   -4.2662    1.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6969   -5.3885    2.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138   -5.7858    1.2321 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7015   -4.4425    0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8825   -4.2126   -0.9783 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8539   -3.7485    0.5226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1778   -5.6892    5.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9831   -5.0004    6.0252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0405   -6.0017    5.6044 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
 18 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  2  0  0  0  0
 23 25  4  0  0  0  0
 25 26  1  0  0  0  0
 25 27  4  0  0  0  0
 27 28  4  0  0  0  0
 21 28  4  0  0  0  0
 28 29  1  0  0  0  0
 11 30  1  0  0  0  0
 30 31  1  0  0  0  0
 10 31  1  0  0  0  0
 31 32  2  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 33 36  2  0  0  0  0
  6 37  1  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  1  0  0  0  0
 40 42  4  0  0  0  0
 37 42  4  0  0  0  0
  2 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  2  0  0  0  0
M  CHG  1  29  -1
M  END
$$$$
COVPDB490
  Mrv2015 05262115443D          

 10 10  0  0  1  0            999 V2000
    1.4006    0.5239   -0.3063 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0496    0.1431   -0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8556    0.5452   -1.2489 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3373    0.1469   -1.0730 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5978   -1.1971   -1.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0292    1.1686   -1.9813 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4054    1.3509   -1.6584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1734    2.4167   -1.7039 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8311    1.9670   -1.4629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2065    3.3436   -2.7846 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
$$$$
COVPDB491
  Mrv2015 05262116063D          

 39 43  0  0  1  0            999 V2000
    0.3119   -0.4205   -0.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4676    0.1184    0.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290    1.5127    0.1895 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4967    2.0526    0.9625 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8677    3.2860    0.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3271    4.1523    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5631    3.9186   -1.2072 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4994    5.2014    0.2552 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0389    5.6726    1.5258 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8295    7.2187    1.6289 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1979    8.2779    0.1987 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4464    8.8641   -0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6002    8.6651    0.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9973    9.6140    0.1098 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6094   11.2889    0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8324   11.9440    1.5992 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4475   13.2530    1.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8653   13.7574    0.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793   12.4367   -0.6658 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6369   14.0154    2.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6884   14.9756    3.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9067   15.7091    4.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0256   15.5053    5.1982 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.2005   16.2748    6.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9605   14.5836    4.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7869   13.8261    3.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6185    7.7590    1.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5589    6.9481    1.6603 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4164    5.6193    1.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2307    4.6680    1.6079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6418    7.5586    2.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4280    6.7871    3.6052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7819    8.0702    2.4348 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8172    3.6965    1.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2505    2.8708    2.8659 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4109    3.7142    3.7806 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2934    5.1713    2.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9898    6.3019    3.0154 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3845    4.9367    1.8607 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 15 19  4  0  0  0  0
 17 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 23 25  4  0  0  0  0
 25 26  4  0  0  0  0
 20 26  4  0  0  0  0
 13 27  2  0  0  0  0
 27 28  1  0  0  0  0
 10 28  1  0  0  0  0
 28 29  1  0  0  0  0
  9 29  1  0  0  0  0
 29 30  2  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
  5 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  1  0  0  0  0
 37 39  4  0  0  0  0
 34 39  4  0  0  0  0
M  CHG  1  23   1
M  END
$$$$
COVPDB492
  Mrv2015 05262115503D          

 21 21  0  0  1  0            999 V2000
    1.6328   -2.4933    5.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5351   -1.7593    4.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0341   -0.6476    3.2181 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7279    0.5296    3.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1441   -0.1384    2.3018 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7626   -1.2179    1.5817 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0376   -1.2298    1.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7662   -0.2154    1.2113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6256   -2.4111    0.4116 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7746   -3.7050    0.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9178   -2.0633   -0.9863 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1838    0.9835    1.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2687    2.1054    1.6991 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8988    0.8969    0.1701 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5879   -0.2728   -0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4601    0.1837   -1.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6911    1.3882   -2.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0537    1.9972   -0.7500 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3478    2.7762   -1.1564 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5227    4.2585   -0.8101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5522    1.9763   -1.6640 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
$$$$
COVPDB493
  Mrv2015 05262116103D          

 24 26  0  0  1  0            999 V2000
   -4.5512    2.8662    2.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0676    2.4266    2.1246 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2384    2.8838    3.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9524    0.5896    2.0576 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8235    0.4466    0.6319 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2800    0.2199    0.7452 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1644   -0.0967    2.0651 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0991   -0.9804    2.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1962   -0.9814    3.7652 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9972   -1.9229    1.7887 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1616   -1.7107    0.3446 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5865   -3.3320    2.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3976   -3.8580    1.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0027   -5.1801    1.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7735   -5.9942    2.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9540   -5.4890    3.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3593   -4.1704    2.9013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1861    1.6599    0.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7697    2.4665    0.4639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5051    1.8150    0.5163 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3831    2.8998    0.7854 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2614    3.1344   -0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2937    4.3492   -0.9783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9874    2.2308   -0.8586 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
  6 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  5 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
$$$$
COVPDB494
  Mrv2015 05262115413D          

 13 12  0  0  1  0            999 V2000
    0.7506    0.7529   -0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7190   -0.5798    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8824   -1.4234   -0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2261   -1.7107   -1.8681 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7748   -3.1361   -1.7873 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1194   -2.2289   -1.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4888   -2.2884    0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5907   -1.5077    0.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7872   -1.7557    2.4162 S   0  0  2  0  0  0  0  0  0  0  0  0
    5.4981   -1.0563    3.0654 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -0.7200    2.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4283   -0.8251    4.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4211   -0.1816    5.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
$$$$
COVPDB495
  Mrv2015 05262116063D          

 10  9  0  0  0  0            999 V2000
   -1.1420    1.1644   -2.0552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6410    0.7736   -0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1747    1.6273   -0.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5504   -0.6350   -0.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2523   -0.9075    0.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1051   -2.3413    0.7251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3613   -2.6929    1.9012 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3277   -3.3233   -0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5228   -4.6037    0.2053 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5538   -3.0488   -1.3930 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
$$$$
COVPDB496
  Mrv2015 05262115593D          

 34 34  0  0  1  0            999 V2000
   -3.8376    3.3243    7.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6486    3.1121    6.5878 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0092    4.4825    6.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1112    2.3172    5.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9706    1.6760    4.4580 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3104    0.5738    5.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0929    0.6199    5.4742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2898    1.0799    3.1911 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4831    0.9575    2.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5463    1.4543    2.9832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5521    0.1550    1.2992 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4583   -1.3707    1.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8030   -2.3196    0.4221 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2982   -2.2343   -0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4258   -3.7916    0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4985    0.5241    0.3941 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6240    0.7384   -0.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7554    0.7358   -1.4909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4462    0.9555   -1.8265 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0516    0.5327   -1.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595   -0.9863   -0.9318 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5113   -1.1956   -0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1035   -1.8868   -2.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5328    2.2909   -2.3480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9184    3.4313   -1.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1391    3.4721   -0.9402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1204    4.6193   -2.5532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239    4.8564   -3.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6719    6.2247   -4.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3508    6.6224   -4.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0902    7.8992   -5.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1503    8.7974   -5.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4680    8.4167   -4.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7267    7.1427   -4.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
M  END
$$$$
COVPDB497
  Mrv2015 05262115453D          

 15 16  0  0  1  0            999 V2000
   -0.6799    4.1314    0.3836 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4491    3.0262    0.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5538    3.0139   -0.0683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9785    1.8792    1.3380 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8723    1.4362    2.5600 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7634    2.5546    3.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9932    0.8096    3.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9246    0.0821    1.8833 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0915   -0.1198    0.2734 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9699    0.6860    0.5641 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0505   -1.2509   -0.0213 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0478   -0.2210    0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2006   -0.2414    0.3310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9888   -1.8060   -1.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0824   -2.6851   -1.6807 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  CHG  1   1  -1
M  END
$$$$
COVPDB498
  Mrv2015 05262115543D          

 32 32  0  0  1  0            999 V2000
    1.4795    0.2802   -0.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1142    0.2533   -0.3154 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5222    1.1945    0.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0608    2.2357    0.8280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9243    0.9604    0.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    0.7751    2.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4405    0.4099    2.7716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1300    1.2503    3.3976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9145   -0.8343    2.4793 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1736   -1.3761    2.9062 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1353   -1.5917    1.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9296   -2.5802    3.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3426   -2.5597    4.9338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2509   -3.7208    3.4361 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6720   -4.1589    2.2051 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1203   -4.3186    2.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2199   -5.4693    1.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9478   -5.7081    0.5168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9471   -6.4337    2.4192 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3047   -6.3836    3.8097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1029   -7.6603    4.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7288   -8.6014    2.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4207   -7.6497    1.8024 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6092   -7.3979    0.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5952   -7.7909   -0.2482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6895   -6.7416    1.4606 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9055   -6.4346    0.7736 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.9297   -5.8614    1.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6513   -5.4877   -0.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1837   -4.3521   -0.0933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9379   -5.8273   -1.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4735   -5.1172   -2.2338 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
$$$$
COVPDB499
  Mrv2015 05262116143D          

 23 25  0  0  1  0            999 V2000
    1.3275    4.4712    8.0861 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447    5.0649    6.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0827    6.3543    6.8933 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3901    6.9930    5.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2650    6.3482    4.5326 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8307    5.0619    4.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5943    4.2175    3.4874 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1666    3.0653    4.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1129    3.1536    5.3991 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172    4.3951    5.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413    4.4984    2.0800 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8816    3.6455    1.3044 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6558    2.8811    0.3712 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1191    1.4286    0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2806    1.4573   -0.0222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0221    0.0422   -0.0104 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3040   -0.9445   -1.0187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9581   -0.5908    1.4409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4233    0.2259   -0.4046 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1338    2.9730    0.8134 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0340    2.9147   -0.2932 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1924    4.3108    1.5670 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5766    5.3755    0.6938 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  2 10  4  0  0  0  0
  6 10  4  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 11 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$
COVPDB49
  Mrv2015 05262116143D          

 34 37  0  0  1  0            999 V2000
    0.7188    5.9949   -1.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7927    6.7219    0.2444 N   0  0  2  0  0  0  0  0  0  0  0  0
    1.3484    8.0993    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4629    5.9310    1.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6880    4.7470    1.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4497    4.8036    2.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3091    3.7389    2.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2032    3.8983    3.4642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2424    2.5826    1.8664 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1909    1.5993    1.7751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5715    1.8985    1.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5537    0.8947    1.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9543    1.1463    1.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4229    2.4218    1.8126 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6884    2.9376    1.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7424    4.3366    2.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9688    5.0086    2.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1758    4.2947    2.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3047    4.9416    2.2994 F   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1492    2.9014    1.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5897    2.0175    1.7953 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.9136    2.2300    1.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7919    0.0932    1.4217 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3628   -1.1760    1.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333   -1.4316    1.2240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1191   -0.4447    1.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7454   -0.7546    1.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7843    0.2596    1.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4508   -0.0457    1.5353 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1372   -0.4059    2.8039 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0445   -1.9070    3.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4131   -2.2354    3.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1920   -1.0317    3.7687 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6570   -0.2049    2.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  1  0  0  0  0
 18 20  4  0  0  0  0
 20 21  1  0  0  0  0
 20 22  4  0  0  0  0
 15 22  4  0  0  0  0
 13 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 12 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 10 28  4  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
$$$$
COVPDB4
  Mrv2015 05262115453D          

 38 41  0  0  1  0            999 V2000
    0.7323   -5.3962   -2.6560 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1189   -5.1340   -1.3442 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4089   -5.4595   -1.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6815   -6.9179   -1.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6933   -7.7894   -0.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9535   -9.1635   -0.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2002   -9.6883   -1.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1769   -8.8396   -3.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9211   -7.4651   -2.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5029   -3.7640   -0.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4296   -2.9304   -0.9841 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7654   -3.3316   -0.3669 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0089   -4.0766   -0.6692 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1212   -5.5879   -0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6628   -5.9110    1.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3781   -7.4209    1.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2585   -7.7029    2.8123 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6836   -8.7730    3.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -8.8507    4.6599 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1715   -9.7280    2.6725 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4677   -3.8222   -2.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629   -3.3953   -2.9345 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8162   -3.9153   -2.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2742   -3.6760   -3.7376 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6165   -3.7794   -3.9311 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741   -3.5799   -5.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6762   -3.7348   -5.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4165   -4.0948   -4.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7692   -4.2817   -2.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3768   -4.1192   -2.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2270   -4.2804   -1.4940 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8316   -2.1234    0.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7662   -1.5758    0.7724 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0350   -1.3483    0.8695 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9799   -0.7732   -0.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3093   -0.5841    0.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2730   -1.6458    1.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8771   -2.0889    1.8244 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 13 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 30 31  4  0  0  0  0
 23 31  4  0  0  0  0
 12 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 34 38  1  0  0  0  0
M  END
$$$$
COVPDB500
  Mrv2015 05262115413D          

 17 18  0  0  1  0            999 V2000
   -1.9035    1.7520    3.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5503    0.9747    2.4056 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0707    1.2983    2.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4167   -0.4240    2.6789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8562    1.3375    1.0511 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2178    0.4599   -0.1975 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3998    1.1431   -1.8764 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7281    0.7125   -2.5221 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8370    0.1156   -3.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0853    2.0458   -2.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1372   -0.2579   -1.4279 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8390    0.1796   -0.2689 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4944    0.8298    0.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6061    1.0750    1.3798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3162   -1.7184   -1.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7658   -2.5290   -1.7260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4514   -2.2392   -1.7192 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
$$$$
COVPDB501
  Mrv2015 05262115453D          

 15 15  0  0  0  0            999 V2000
   -3.1261    1.3358    5.0560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8798    1.8412    4.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0388    2.2247    4.4834 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4536    1.9605    2.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2045    2.7085    1.8257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7764    2.8614    0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5822    2.2594    0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1317    2.4520   -1.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0560    1.8243   -2.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8880    2.5518   -2.9278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0409    0.4459   -2.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9597   -0.0852   -3.4728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1869   -0.3268   -2.1418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8235    1.5081    0.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2538    1.3605    2.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  7 14  4  0  0  0  0
 14 15  4  0  0  0  0
  4 15  4  0  0  0  0
M  END
$$$$
COVPDB502
  Mrv2015 05262115583D          

 10 10  0  0  0  0            999 V2000
   -1.6188    4.0188   -1.8830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3492    2.7106   -1.5665 B   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7801    2.5123   -2.0761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6866    1.6589   -0.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3334    1.3028    0.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379    0.3732    1.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4853   -0.1870    1.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1643    0.1611   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4447    1.0750   -0.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3630   -0.3732   -0.3348 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
M  END
$$$$
COVPDB503
  Mrv2015 05262116093D          

 18 18  0  0  1  0            999 V2000
    6.4433    2.8875   -3.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2473    3.7129   -3.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4743    3.3503   -4.2696 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0172    4.8080   -2.5692 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9047    5.7211   -2.5657 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0949    5.5095   -1.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8450    6.5130   -0.6170 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5766    4.1835   -0.8941 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7754    3.6305   -1.8584 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240    4.2633    0.2541 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6050    3.3146   -0.6297 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0326    5.7931   -3.8596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0906    6.9458   -3.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4933    8.1846   -4.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5860    9.2561   -4.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2728    9.1145   -4.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1336    7.8969   -3.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7680    6.8189   -3.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
M  END
$$$$
COVPDB504
  Mrv2015 05262115433D          

 12 13  0  0  1  0            999 V2000
   -2.1425   -1.4951    2.0858 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0184   -1.8130    1.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1890   -2.5976    1.9160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7662   -1.2180    0.0870 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8034   -1.4887   -0.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5397   -2.1617   -0.9733 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0057    0.0462    0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6771    1.2838    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0378    2.4949    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4444    2.4805   -0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1361    1.2551   -0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4206    0.0406   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
M  CHG  1   1  -1
M  END
$$$$
COVPDB505
  Mrv2015 05262116083D          

 44 48  0  0  1  0            999 V2000
    7.5962   -5.5433    2.5994 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2787   -4.4826    2.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5078   -4.4426    2.3601 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6412   -3.4682    1.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3364   -2.7595    0.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6789   -1.7793   -0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3251   -1.5022   -0.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6267   -2.1840    0.8186 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.2833   -3.1300    1.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2267   -1.8996    1.1056 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5187   -3.1120    1.3985 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1269   -2.7911    1.4765 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2798   -4.0883    1.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9645   -5.0043    2.3976 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1662   -6.2960    2.8836 P   0  0  2  0  0  0  0  0  0  0  0  0
    0.4397   -7.0215    1.6781 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1609   -5.8900    3.8743 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2133   -7.2657    3.6005 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3293   -8.0109    2.7278 P   0  0  2  0  0  0  0  0  0  0  0  0
    2.6587   -9.2052    1.9278 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2928   -8.5918    3.6770 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1524   -7.0324    1.7584 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7571   -6.9804    0.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7504   -6.1188   -0.4515 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9450   -6.8582   -0.7511 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3645   -6.5730   -2.1018 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4270   -5.4795   -2.6686 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0106   -4.1851   -2.5152 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1739   -5.6427   -1.8015 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4212   -4.4362   -1.6853 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3727   -7.7500   -2.9342 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7583   -8.9363   -2.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9661   -9.8488   -3.6554 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7341   -9.2030   -4.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3650   -9.5040   -5.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2124  -10.7282   -6.3254 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1422   -8.5836   -6.5079 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3184   -7.3271   -5.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7690   -6.9293   -4.8091 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0047   -7.8722   -4.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9059   -1.8494    0.2731 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9110   -0.8643    0.5582 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3170   -1.2618    0.0172 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3428    0.1630    0.0865 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  1  0  0  0  0
 35 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 31 40  4  0  0  0  0
 34 40  4  0  0  0  0
 12 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 10 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  CHG  1   8   1
M  END
$$$$
COVPDB506
  Mrv2015 05262115483D          

  8  7  0  0  1  0            999 V2000
    0.3289    2.0815    2.2246 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8526    1.7398    1.4164 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4339    1.3292   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4795    0.1744   -0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0423   -0.9958   -0.1407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7996    2.8796    1.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2201    3.5139    0.3370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2506    3.2838    2.5551 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
M  END
$$$$
COVPDB507
  Mrv2015 05262116103D          

 66 71  0  0  1  0            999 V2000
    3.5631   -6.0531   -1.7991 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2812   -4.7813   -1.2179 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9092   -4.9378    0.2818 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0216   -5.4565    1.0099 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4478   -3.5872    0.8957 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9635   -3.7986    2.2223 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3551   -2.9134    0.0061 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8042   -2.8146   -1.3665 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1305   -4.0779   -1.9845 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5271   -3.8204   -3.3269 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0060   -1.4894    0.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0824   -0.8525   -0.4010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3196    0.4800   -0.0186 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3052    1.0355   -1.0823 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7319    0.8902   -2.3815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6446    2.5310   -0.8108 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5169    2.6456    0.3133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3592    3.3886   -0.5958 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6027    2.7077    0.4374 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8462    1.3296    0.0857 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1969    2.8983    1.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1451    2.2708    2.7815 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172    3.5622   -1.9128 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4318    4.3221   -2.1371 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6302    4.3896   -3.5659 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6438    5.1642   -4.2927 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9976    5.0451   -5.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5985    6.6480   -3.7967 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4517    6.6819   -2.2432 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6047    8.0044   -1.7291 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5108    5.7706   -1.5704 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3947    5.8168   -0.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5156    7.3317   -4.5136 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7501    8.7959   -4.3725 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4551    9.5773   -4.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6986   10.2711   -5.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9685   10.9957   -5.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9976   10.0928   -6.2840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2670   10.3179   -6.8967 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4507    9.3019   -6.7638 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5526    9.6775   -7.5889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9330    9.2127   -5.2934 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0316    8.3071   -5.1775 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4698   10.1301   -8.1348 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1768   10.4739   -9.3842 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8045   10.3515  -10.5752 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4133    9.0606  -10.5934 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8767   11.4672  -10.5088 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7026   11.3979  -11.6720 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2734   12.9002  -10.3667 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1469   12.9118   -9.2702 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7592   11.7914   -9.4038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8340   14.1472   -9.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9281   14.1602   -8.3505 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4522   13.7016  -10.1061 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3591   15.1217   -9.8881 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6856   15.8113  -10.3081 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0085   15.4924  -11.6614 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487   15.4144   -9.3566 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0201   16.1648   -9.6731 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4606   15.6287   -7.8664 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4870   15.1117   -7.0207 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0927   14.9487   -7.5580 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0889   15.4086   -8.4953 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5851   15.2484   -6.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3513   14.5786   -5.8902 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 13 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 24 31  1  0  0  0  0
 31 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 34 42  1  0  0  0  0
 42 43  1  0  0  0  0
 39 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 45 52  1  0  0  0  0
 51 53  1  0  0  0  0
 53 54  1  0  0  0  0
 50 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 57 59  1  0  0  0  0
 59 60  1  0  0  0  0
 59 61  1  0  0  0  0
 61 62  1  0  0  0  0
 61 63  1  0  0  0  0
 63 64  1  0  0  0  0
 56 64  1  0  0  0  0
 63 65  1  0  0  0  0
 65 66  1  0  0  0  0
M  END
$$$$
COVPDB508
  Mrv2015 05262115513D          

 10  9  0  0  1  0            999 V2000
    1.0222   -0.7525    1.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7980    0.0553   -0.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4351    1.3444   -0.1165 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3107    2.3124   -1.4081 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1290    2.4852   -1.6976 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0248    3.6796   -1.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5488    4.6740   -0.8588 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280    1.5253   -2.6969 N   0  0  2  0  0  0  0  0  0  0  0  0
    3.4545    1.1578   -2.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8185    2.2082   -4.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  3  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
$$$$
COVPDB509
  Mrv2015 05262116073D          

 11 11  0  0  1  0            999 V2000
   -3.2972   -2.5696   -0.5188 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8954   -1.4297    0.3183 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1109   -0.3691   -0.5180 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7806   -0.8809   -1.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1262   -0.2614   -0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7431   -0.6145   -0.0955 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4577    0.5941    0.5246 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7120    0.7333    0.3180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1039   -0.8649    0.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2151   -0.8273    2.3056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0458   -0.4054    0.2715 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
$$$$
COVPDB50
  Mrv2015 05262115573D          

 16 16  0  0  1  0            999 V2000
   -0.4700   -0.5390    3.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1649    0.7458    3.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4611    0.8948    5.0874 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    1.8104    3.2700 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9033    1.8779    1.9170 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3991    1.4472    1.8338 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7465    1.1534    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3562    2.5210    2.4286 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2265    2.5112    3.8533 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7118    3.3288    1.3875 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7599    3.3811   -0.0359 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6424    4.2649    1.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541    3.9553    1.8869 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6617    4.8638    2.7292 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6570    4.2357    0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3343    5.5503    0.0412 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$
COVPDB510
  Mrv2015 05262115553D          

 44 48  0  0  1  0            999 V2000
   -7.6006   -2.6299    3.6761 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8759   -2.5401    2.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7457   -3.0810    2.5854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3342   -1.8655    1.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4737   -1.6509    0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9170   -0.9210   -0.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1825   -0.3926   -0.9096 N   0  3  0  0  0  0  0  0  0  0  0  0
   -9.0599   -0.6802    0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6582   -1.3818    1.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6260    0.4414   -2.0276 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.6372    0.6161   -3.0707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1019    1.9552   -3.0256 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5547    1.9456   -3.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0674    1.8581   -4.4114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8589    0.8574   -4.7216 P   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4861   -0.5988   -4.7984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2578    1.1947   -6.0153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7661    0.8125   -3.5636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9354    2.1308   -3.2071 P   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7688    3.4499   -3.4715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6984    2.1624   -3.9959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5817    2.0788   -1.6366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6730    1.5990   -0.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3647    1.5373    0.7038 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3210    2.8374    1.3253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3287    2.9167    2.3574 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5876    1.4476    2.7770 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6235    1.0040    3.7314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4397    0.7069    1.4508 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0786   -0.6651    1.6027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4961    3.6390    1.9041 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6239    4.3453    0.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8499    4.8815    0.6179 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5120    4.5288    1.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8264    4.7892    2.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6918    5.4753    1.3825 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2172    4.3110    3.3580 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3773    3.5932    4.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1050    3.3290    3.7514 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6730    3.7810    2.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6894    2.6359   -1.7728 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.8621    4.0425   -1.9466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0217    1.8986   -1.6551 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.5883    2.0927   -0.4171 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  1  0  0  0  0
 35 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 31 40  4  0  0  0  0
 34 40  4  0  0  0  0
 12 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 10 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  CHG  1   7   1
M  END
$$$$
COVPDB511
  Mrv2015 05262115523D          

 44 48  0  0  1  0            999 V2000
   -7.1953   -3.1381    3.8926 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4398   -2.7380    2.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2548   -3.1442    2.8447 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9434   -1.9142    1.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2983   -1.8588    0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8187   -1.0568   -0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9578   -0.3090   -0.3148 N   0  3  0  0  0  0  0  0  0  0  0  0
   -8.5984   -0.3594    0.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1078   -1.1324    1.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5377    0.4730   -1.4056 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.7501    0.4930   -2.6218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1207    1.7795   -2.7862 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5819    1.6611   -2.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1137    1.3828   -4.2694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7369    0.5704   -4.4599 P   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7730   -0.7699   -3.6064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7126    0.1460   -5.8712 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3231    1.3015   -4.2216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276    2.5905   -3.3182 P   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1579    3.6889   -3.4474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7934    3.1845   -3.8620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7086    2.2531   -1.7779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7619    1.6365   -1.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4355    1.4254    0.4760 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4793    2.6714    1.1918 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5725    2.6794    2.1326 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9499    1.1987    2.3887 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3478    0.7319    3.5928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4384    0.4521    1.1506 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8449   -0.8102    1.4574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6734    3.5239    1.7288 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7371    4.3532    0.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8977    5.0372    0.6135 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5941    4.6335    1.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8656    4.9863    2.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6658    5.8806    1.5731 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2967    4.3959    3.3190 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5368    3.4933    3.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3066    3.1480    3.5331 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8373    3.7016    2.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5180    2.6298   -1.5545 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.6836    4.0160   -1.8535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8082    1.9663   -1.0848 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.8939    2.4280   -1.7963 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  1  0  0  0  0
 35 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 31 40  4  0  0  0  0
 34 40  4  0  0  0  0
 12 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 10 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  CHG  1   7   1
M  END
$$$$
COVPDB512
  Mrv2015 05262116073D          

 46 48  0  0  1  0            999 V2000
   -6.0039    3.6927    8.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5842    2.4070    8.1036 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0854    2.7225    6.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5277    1.2529    8.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8192   -0.1259    7.5066 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7738   -0.0144    6.0780 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6485   -0.1458    5.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7577    0.1098    4.1046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4659   -0.5566    5.8960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1060   -0.6936    5.4133 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3293   -1.4793    6.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4824   -0.9787    7.9389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5139   -1.4723    8.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6715   -1.0034   10.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7783   -0.0480   10.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7273    0.4314    9.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834   -0.0293    8.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4915    0.7582    5.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0300    0.7990    4.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1576   -0.1094    3.2391 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6610   -1.5149    3.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0523   -1.4977    4.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1629    0.3828    1.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6999    1.5083    1.8478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1084   -0.3306    0.8381 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2043   -0.0630   -0.5498 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7466   -0.1167   -0.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.7392   -0.5622    9.0350 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6046   -1.4040    9.8141 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.7240   -2.1455    9.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7031   -1.2110    8.2333 C   0  0  2  0  0  0  0  0  0  0  0  0
  -11.7355   -0.4842    9.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0704   -1.2368    8.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8606   -1.9929    7.7794 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5916   -1.9928    7.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2171   -2.6156    6.3436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7072   -2.3524   10.6759 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.4402   -3.3928   11.3107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8213   -1.4571   12.0059 S   0  0  1  0  0  0  0  0  0  0  0  0
   -7.9229   -1.0529   13.2493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6825   -2.3903   12.6391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1570   -0.1058   11.4592 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  5 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 35 39  1  0  0  0  0
 39 40  2  0  0  0  0
 33 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  2  0  0  0  0
 43 46  2  0  0  0  0
M  END
$$$$
COVPDB513
  Mrv2015 05262116073D          

 35 36  0  0  1  0            999 V2000
    3.0806   -2.0678   -1.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2967   -1.0116   -0.5566 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5619   -1.7318    0.7966 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4161   -0.0013   -0.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6798    1.2697   -0.1108 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0059    0.9612    1.2475 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0597    0.2445    1.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0074   -0.1098    0.9532 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9853   -0.1054    3.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7456   -1.0976    3.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6364   -0.4448    4.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7104   -1.2566    6.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1982   -0.7489    7.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482   -1.4815    8.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8116   -2.7678    8.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3231   -3.2961    7.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9755   -4.8928    7.4274 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2843   -2.5482    6.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5533    2.2423   -0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5905    3.2236   -0.8923 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5285    2.0961    0.7813 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4462    3.0084    1.0291 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0958    2.2359    0.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1963    1.6831   -0.5345 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4460    2.7768   -1.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7838    2.4093   -2.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2775    1.3261   -1.5390 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4346    0.8968   -0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6761   -0.1009    0.1187 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6247    3.6245    2.4529 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5436    4.4912    2.7911 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1492    4.6267    2.6284 S   0  0  2  0  0  0  0  0  0  0  0  0
    3.2718    5.7259    1.3250 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4466    3.6872    2.6322 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1061    5.4643    3.9945 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 12 18  4  0  0  0  0
  5 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  2  0  0  0  0
 22 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 32 35  2  0  0  0  0
M  END
$$$$
COVPDB514
  Mrv2015 05262116103D          

 34 38  0  0  0  0            999 V2000
   -1.1654   -4.5789   -2.9672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0030   -3.3661   -2.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5070   -2.1195   -2.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3329   -3.4337   -0.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1834   -2.2854   -0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7135   -1.0680   -0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569   -0.9857   -1.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7105    0.1449    0.0704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3408    1.0079   -0.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7681    0.3337   -1.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5187    0.8789   -3.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4932    2.3822   -0.4943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1845    2.9409    0.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0656    4.3141    0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9249    2.4216    1.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1380    1.1108    1.8488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4687    3.3223    2.5208 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3197    4.6237    2.3982 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6444    5.1859    1.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5337    6.4291    1.2665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0119    3.4235   -1.2251 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569    4.5621   -0.6917 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2594    3.3401   -2.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9805    2.6638   -2.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6936    2.4823   -3.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1855    2.9743   -4.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0290    3.7005   -4.7717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7370    3.8926   -3.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8968    2.7138   -6.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8728    3.7233   -6.3335 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4665    3.9421   -7.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364    3.2609   -8.5457 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4418    4.9242   -7.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1232    5.2276   -8.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  2  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  3  7  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  7 10  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 13 15  4  0  0  0  0
 15 16  1  0  0  0  0
 15 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  2  0  0  0  0
 12 21  4  0  0  0  0
 21 22  4  0  0  0  0
 14 22  4  0  0  0  0
 21 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  18
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB515
  Mrv2015 05262115483D          

 29 31  0  0  1  0            999 V2000
   -2.7640   -1.6706   -3.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2102   -1.5114   -1.9080 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4428   -2.9129   -1.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1988   -2.8456    0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3864   -2.0199    0.0041 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1725   -0.6638   -0.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5577   -0.7102   -1.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6680   -2.4868    0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0032   -3.3772    1.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3419   -3.8123    1.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3286   -3.3270    0.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9664   -2.4455   -0.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6738   -2.0670   -0.5819 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6962   -4.7053    2.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9718   -5.1320    2.6818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8525   -5.1394    3.3311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2430   -0.6582   -1.1500 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -1.0381   -0.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0415    0.1366   -0.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5222    1.2580   -0.5905 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4153    0.0763   -0.4320 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1952   -1.1346   -0.3199 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6055   -0.6877    0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3909    0.7599    0.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228    1.2565   -0.2540 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6235    1.7470   -1.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9494    2.1518   -2.5041 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2644   -1.8490   -1.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3198   -2.4494   -2.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  3  0  0  0  0
 22 28  1  0  0  0  0
 28 29  3  0  0  0  0
M  END
$$$$
COVPDB516
  Mrv2015 05262116103D          

 25 27  0  0  1  0            999 V2000
   -4.5595    2.8882    2.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0701    2.4597    2.1187 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2607    2.9341    3.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9365    0.6224    2.0547 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8027    0.4816    0.6317 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2593    0.2525    0.7442 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1811   -0.1033    2.0547 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1164   -0.9956    2.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155   -1.0164    3.7325 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0002   -1.9392    1.7375 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0950   -1.7619    0.2805 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6096   -3.3421    2.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3967   -3.8886    1.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0021   -5.1897    1.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8005   -5.9647    2.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4089   -7.2067    3.1755 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0144   -5.4411    3.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150   -4.1422    2.9185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661    1.6984    0.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7862    2.5091    0.5370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4850    1.8516    0.5287 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3735    2.9328    0.7842 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2556    3.1428   -0.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3219    4.3502   -0.9904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9658    2.2214   -0.8534 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  1  0  0  0  0
 15 17  4  0  0  0  0
 17 18  4  0  0  0  0
 12 18  4  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
$$$$
COVPDB517
  Mrv2015 05262115493D          

 13 12  0  0  1  0            999 V2000
   -4.3178   -1.1406   -2.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5795   -1.1202   -1.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7782   -2.0561   -1.2627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7772   -0.1111   -0.6046 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1412    0.0070    0.6739 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8406    1.1217    1.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6689    0.2290    0.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9153   -0.6081    1.1169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0787    1.3816   -0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4522    1.2768   -0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9918    2.4393   -1.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9991    3.6638   -0.5917 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4713    2.3151   -2.3163 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  CHG  1  12  -1
M  END
$$$$
COVPDB518
  Mrv2015 05262115513D          

 42 43  0  0  1  0            999 V2000
   -0.6605   -1.8793    4.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2336   -0.6566    4.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5665    0.5287    4.5102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1115    1.8133    4.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0937    2.0788    4.2408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0548    2.9074    4.7098 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8853    4.1314    3.9813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0372    3.3239    3.5836 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4976    3.7725    3.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6297    4.7406    4.7227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6609    3.0855    3.4967 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0733    3.2109    3.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4913    2.0933    4.9801 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6537    2.1393    6.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0097    2.1595    5.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5087    2.2653    2.4820 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1045    0.9698    2.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7521    0.4885    3.6613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0969    0.1436    1.3197 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0897   -1.3938    1.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2241   -2.3216    0.3502 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6474   -2.2976   -0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8002   -3.7798    0.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9305    0.4845    0.5511 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8742    0.7962   -0.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9359    0.8928   -1.4402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5869    0.9773   -1.5115 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2919    0.5280   -0.7499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1497   -0.9678   -0.3029 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1695   -1.1629    0.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2085   -1.9816   -1.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5835    2.3179   -2.0532 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6802    3.3350   -1.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3397    3.2696   -1.1938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8162    4.5089   -2.5922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9643    4.9892   -3.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7463    6.3139   -3.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4523    6.8433   -4.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2838    8.1028   -4.7793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4076    8.8550   -5.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6996    8.3441   -4.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8650    7.0806   -4.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 37 42  4  0  0  0  0
M  END
$$$$
COVPDB519
  Mrv2015 05262115483D          

 46 48  0  0  1  0            999 V2000
    2.9684    2.6612   -0.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3270    4.1198   -0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1408    4.9085   -0.0598 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7558    5.5342    1.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5541    6.7681    1.0235 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5153    4.7787    2.3347 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2084    5.6131    3.4626 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536    4.7526    3.0084 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0549    5.4167    2.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9852    6.6924    2.3933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1706    4.6814    1.8160 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3235    5.4452    1.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5907    4.6072    0.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6992    5.4374    0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5668    6.0731   -0.8748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8696    5.5349    0.8556 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2367    3.3833    1.9335 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5989    2.4849    1.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7779    2.8795    0.2758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7903    1.0326    1.3898 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -0.6066   -0.7820    2.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0187   -2.0733    2.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1390   -3.1142    3.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8632   -2.8755    4.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4666   -1.5940    5.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345   -0.5559    4.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7189    0.2060   -0.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7064   -0.4765   -1.2571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8304    0.7034   -1.9941 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3787    0.1224   -1.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2544   -1.4209   -1.7111 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2272   -1.8375   -1.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9015   -2.2669   -2.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9040    2.1370   -2.0789 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3591    2.9070   -3.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7281    2.3875   -4.0118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5407    4.2650   -3.0304 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690    5.1735   -3.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7105    6.4523   -4.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0434    7.6971   -3.9978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7441    8.9005   -4.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240    8.8732   -4.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8067    7.6446   -4.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1039    6.4418   -4.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 20 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 41 46  4  0  0  0  0
M  END
$$$$
COVPDB51
  Mrv2015 05262115403D          

 40 44  0  0  1  0            999 V2000
    8.2009   -6.7296   -4.0572 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9358   -6.4115   -4.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2393   -7.1445   -5.0052 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4441   -5.3565   -3.5722 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0830   -4.9146   -3.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541   -3.6654   -2.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4198   -3.0845   -2.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0659   -1.9630   -1.8930 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9282   -2.4084   -0.5300 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0583   -3.3263   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2405   -3.9186   -0.7639 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0412   -3.5948    1.4499 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0918   -5.1018    1.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138   -5.5260    1.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1118   -4.2406    2.2833 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4743   -3.9681    1.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0351   -2.6452    2.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -1.4249    2.1271 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3197   -0.6069    3.3280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2680   -0.5710    0.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6597    1.8417    1.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2123    3.1652    1.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830    3.5222    1.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9328    2.5541    0.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4891    1.2276    0.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4099   -1.8522    2.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3082   -0.9815    2.2631 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7837   -3.1668    1.9949 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8975   -1.1386   -2.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8017   -1.7043   -2.5480 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9372    0.2649   -2.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8778    1.0560   -2.7953 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1037    2.3984   -2.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1312    3.3805   -3.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5006    4.7445   -3.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8296    5.1269   -2.8031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8093    4.1527   -2.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4171    2.8076   -2.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3164    1.3383   -2.2618 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 18 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 12 29  1  0  0  0  0
 15 29  1  0  0  0  0
  8 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 34 39  4  0  0  0  0
 39 40  4  0  0  0  0
 32 40  4  0  0  0  0
M  END
$$$$
COVPDB520
  Mrv2015 05262116103D          

 28 29  0  0  1  0            999 V2000
    4.2391   -0.5213    8.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8684   -1.4381    7.1189 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5600   -0.6986    5.7764 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4467   -1.2273    5.0527 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0581   -0.8230    3.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5959    0.2277    3.3796 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1478   -1.5407    3.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8433   -1.1122    1.8223 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2588   -0.0596    1.2171 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2010   -0.1195   -0.2266 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2876   -0.0265   -0.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9801    1.1436   -0.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8949   -1.3234   -0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3278   -2.1344   -1.7050 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0530   -1.6101   -0.4008 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5494   -2.7688    3.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2085   -3.5702    2.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7218   -4.9918    3.3634 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0479   -4.5048    4.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0418   -5.1650    6.0268 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6464   -3.3202    4.6083 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7968   -1.3219    5.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4161   -1.2810    4.2254 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9863   -1.9940    6.4368 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1387   -3.1845    6.8392 S   0  0  1  0  0  0  0  0  0  0  0  0
    7.6898   -2.4823    6.7173 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9149   -3.6985    8.3386 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469   -4.4006    5.8001 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  7 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  1  0  0  0  0
 19 21  4  0  0  0  0
 16 21  4  0  0  0  0
  3 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  2  0  0  0  0
M  END
$$$$
COVPDB521
  Mrv2015 05262115503D          

 12 11  0  0  1  0            999 V2000
    1.5549   -3.4428    0.5090 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3464   -2.2020   -0.2484 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8306   -0.9573    0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3774   -0.9688    1.9041 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862    0.0683    2.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    1.1876    2.4264 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1152   -0.0838    4.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7363   -1.1505    4.5654 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.3825   -2.1668    5.0026 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.0234   -2.3216   -1.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3334   -2.1740   -2.7134 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2495   -2.5705   -1.6288 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  2  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  CHG  2   8   1   9  -1
M  END
$$$$
COVPDB522
  Mrv2015 05262115583D          

 16 15  0  0  0  0            999 V2000
  -10.7089   -4.6671    3.5438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3178   -4.0231    3.5323 B   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5552   -3.8532    4.8487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6640   -3.4239    2.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7437   -2.9121    1.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1477   -2.2995   -0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2712   -1.8092   -1.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7324   -1.1980   -2.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8688   -0.7103   -3.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3146   -0.0997   -4.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4378    0.3947   -5.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8819    1.0068   -6.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9987    1.5045   -7.8824 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4278    2.1134   -9.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5373    2.6131  -10.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9695    3.2191  -11.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$
COVPDB524
  Mrv2015 05262115583D          

 41 42  0  0  1  0            999 V2000
   -2.7520   -0.0999   -2.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9247    0.0996   -0.9844 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3616   -0.8731   -0.0382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3754    0.0408   -1.1875 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3834    0.3466    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1732    0.5068   -0.0879 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0281   -1.2490   -1.6733 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8898   -1.4920   -2.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4728   -0.5541   -3.3001 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1065   -2.8929   -3.1560 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2164   -3.4314   -3.7755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7528   -2.5675   -4.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7681   -3.2556   -5.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9582   -2.8682   -5.7844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288   -4.2963   -6.5661 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7281   -3.5995   -2.0647 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0118   -4.9198   -1.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8385   -5.0379   -0.8700 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5455   -6.2054   -2.4174 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9193   -6.3516   -3.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7338   -7.0981   -4.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4176   -6.9832   -3.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1473   -6.5326   -2.2829 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6155   -6.5939   -1.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8558   -6.7496   -1.2455 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1522   -6.6083    0.3196 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0326   -5.2236    1.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1886   -4.3919    1.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7113   -3.9785   -0.0045 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7572   -4.0371    2.2209 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0270   -7.4099    0.4625 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0806   -8.6989    0.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2115   -9.2350    0.9116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310   -9.3939    1.2891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0786  -10.7800    1.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3901  -11.1225    2.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2163  -12.1342    1.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4389  -12.4653    2.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8613  -11.7918    3.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0770  -10.7744    4.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8260  -10.4460    3.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 36 41  4  0  0  0  0
M  END
$$$$
COVPDB525
  Mrv2015 05262115483D          

 37 38  0  0  1  0            999 V2000
    1.1599    0.1866   -0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0684    1.2581   -0.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6023    2.5845   -0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2274    2.8395   -0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6811    1.7684   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2253    0.4305   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1688   -0.7026    0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1598   -1.4999   -1.1284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8662   -2.6527   -1.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6240   -3.0664   -0.3748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6844   -3.3636   -2.4313 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1993   -4.6885   -2.6509 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9637   -5.1431   -4.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7051   -4.3168   -5.2334 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3310   -4.8588   -6.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2576   -4.2769   -5.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5983   -5.6254   -1.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3805   -5.4722   -1.3848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3354   -6.5515   -0.9322 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5798   -7.0878   -1.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7890   -8.3747   -0.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0225   -8.1306    0.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0503   -6.9553    0.4231 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6489   -7.2796    0.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1507   -6.6649    1.7802 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0313   -8.2695    0.1572 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2402   -8.9338    0.5711 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3200   -8.0798    1.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7836  -10.1108    1.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8436  -11.2566    0.8425 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2090   -9.9018    2.5712 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5266  -10.8489    3.3553 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6004  -10.0428    4.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9428  -11.0488    4.8324 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4421  -11.7512    4.1872 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3545  -11.0108    5.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2912  -12.7653    4.8716 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
$$$$
COVPDB526
  Mrv2015 05262115493D          

 34 34  0  0  1  0            999 V2000
    3.4349   -1.2861   -8.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5202   -2.4067   -7.9847 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8186   -3.7946   -8.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5033   -2.2678   -9.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2925   -2.4136   -6.7638 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0931   -1.4483   -6.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1479   -0.2934   -6.6953 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8610   -1.6947   -5.1208 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0519   -2.9562   -4.4582 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5744   -3.2926   -4.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9664   -4.6853   -3.7881 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5109   -4.8709   -3.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2616   -5.8882   -4.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610   -2.9969   -3.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5951   -3.9796   -2.9819 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -2.0947   -2.0751 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4736   -1.0467   -2.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9038    0.0222   -1.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6777   -0.6292   -0.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7336   -2.1157   -0.8404 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3587   -2.6930   -0.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0399   -3.5087    0.0454 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916   -2.2892   -1.8240 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0991   -2.5856   -2.0218 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4337   -3.7134   -1.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3836   -1.3049   -1.8319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8188   -0.7446   -2.7993 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3912   -0.7455   -0.5941 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8545    0.5254   -0.2172 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6752    0.9884    1.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4266    2.7184    1.4815 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6991    0.4409   -0.0385 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2018   -0.5434    1.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2469    1.7322    0.2188 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
$$$$
COVPDB527
  Mrv2015 05262116033D          

 31 31  0  0  1  0            999 V2000
    1.4817    0.2890   -0.7422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1086    0.2478   -0.3587 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5479    1.1749    0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266    2.2119    0.8070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9582    0.9311    0.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1331    0.7205    2.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5147    0.3741    2.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2057    1.2127    3.2986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9787   -0.8713    2.3670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2396   -1.4233    2.7695 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1438   -1.7461    1.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0003   -2.5617    3.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4326   -2.4596    4.8729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3089   -3.7153    3.4700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6988   -4.2097    2.2752 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1741   -4.2573    2.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2179   -5.5375    1.8043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9511   -5.7914    0.6022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9197   -6.5039    2.5258 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2720   -6.4276    3.9164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0671   -7.7010    4.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7134   -8.6623    3.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3887   -7.7327    1.9310 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5669   -7.4936    1.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5590   -7.9493   -0.1134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6290   -6.7873    1.5355 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8227   -6.4620    0.8256 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.8884   -5.9774    1.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5044   -5.2974   -0.2977 B   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1728   -5.7014   -1.7361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4004   -3.8257    0.1094 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
$$$$
COVPDB528
  Mrv2015 05262116153D          

 37 38  0  0  1  0            999 V2000
    1.4984    0.2564   -0.7428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1494    0.2060   -0.2790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4783    1.1551    0.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1059    2.2129    0.8093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8637    0.9108    0.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9536    0.7635    2.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3045    0.3868    2.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9546    1.1996    3.6242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934   -0.8471    2.6062 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0326   -1.4122    3.0492 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9997   -1.6522    1.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7352   -2.6105    3.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0998   -2.5874    5.0817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0550   -3.7474    3.5511 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5264   -4.1923    2.2974 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9806   -4.1911    2.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0396   -5.5270    1.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7532   -5.7730    0.6295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7540   -6.5044    2.5323 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1364   -6.4057    3.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9237   -7.6674    4.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5184   -8.6845    3.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1644   -7.7603    1.9352 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3613   -7.5773    1.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3203   -7.9808   -0.1193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4896   -6.9945    1.5613 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7226   -6.8033    0.8606 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.5143   -5.7384   -0.3833 B   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8384   -4.3839   -0.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2114   -6.0091   -1.7182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8294   -6.2871    1.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1669   -7.2511    2.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8617   -6.9699    4.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1437   -7.9058    5.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7475   -9.1341    4.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0877   -9.4150    3.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8041   -8.4794    2.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 32 37  4  0  0  0  0
M  END
$$$$
COVPDB529
  Mrv2015 05262115483D          

 33 33  0  0  1  0            999 V2000
    1.5212    0.2231   -0.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1538    0.2044   -0.2405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4714    1.1430    0.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    2.1619    0.9279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8802    0.9373    0.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0014    0.7312    2.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3666    0.3676    2.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0126    1.1668    3.6081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8663   -0.8512    2.5349 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0871   -1.4344    3.0032 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0804   -1.7204    1.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7143   -2.6039    3.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0471   -2.5786    5.0565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875   -3.7099    3.5064 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5192   -4.1646    2.2327 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9671   -4.1745    2.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0704   -5.5026    1.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8218   -5.8026    0.6281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7882   -6.4323    2.5802 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1595   -6.2865    3.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9466   -7.5465    4.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5417   -8.5712    3.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2230   -7.7063    2.0558 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3878   -7.5751    1.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3018   -8.0632   -0.0168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5306   -6.9501    1.5486 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7418   -6.8182    0.7936 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.4520   -5.7883   -0.4646 B   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9021   -4.3830   -0.1951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9761   -6.1434   -1.8593 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9296   -6.3124    1.6839 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.2684   -6.1969    0.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1601   -7.2013    2.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
$$$$
COVPDB52
  Mrv2015 05262115413D          

 33 32  0  0  1  0            999 V2000
    2.8507    8.4088   -5.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1787    7.7835   -4.0437 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9070    8.5995   -3.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1707    7.6566   -2.8294 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4677    7.0953   -3.0887 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7813    5.9218   -3.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9126    5.2321   -4.2958 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1749    5.4135   -3.6511 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4503    4.8143   -2.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1015    6.4620   -3.9677 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4109    6.2975   -4.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9172    5.1530   -4.3564 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1495    7.4264   -4.5139 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5471    7.5560   -4.8666 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4456    6.9705   -3.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8206    6.8733   -6.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8302    9.0822   -4.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6287    6.9153   -1.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7105    7.4310   -0.5180 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1144    5.6657   -1.8295 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    4.7455   -0.8095 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4876    5.1911    0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2495    4.2887    1.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8106    4.8556    2.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0488    3.8662    3.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862    4.4623    4.4392 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3995    3.3290   -1.5912 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.5616    3.3515   -2.8772 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9829    2.0089   -1.0463 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0435    0.9284   -1.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6887   -0.3663   -0.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7424   -1.5845   -0.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -2.7603   -0.2277 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
$$$$
COVPDB530
  Mrv2015 05262115513D          

 56 61  0  0  1  0            999 V2000
    5.5341   -2.0902    2.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2340   -1.3477    3.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 28 29  1  0  0  0  0
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 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
 10 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
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 39 40  1  0  0  0  0
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 42 43  1  0  0  0  0
 38 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 46 47  4  0  0  0  0
 47 48  4  0  0  0  0
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 50 51  4  0  0  0  0
 51 52  4  0  0  0  0
 52 53  4  0  0  0  0
 48 53  4  0  0  0  0
 53 54  4  0  0  0  0
 46 54  4  0  0  0  0
  5 55  4  0  0  0  0
 55 56  4  0  0  0  0
  2 56  4  0  0  0  0
M  END
$$$$
COVPDB531
  Mrv2015 05262116073D          

 46 48  0  0  1  0            999 V2000
   -5.7228    3.7455    8.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4398    2.4970    8.0729 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  9 10  1  0  0  0  0
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 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 10 18  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  5 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 35 39  1  0  0  0  0
 39 40  2  0  0  0  0
 33 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  2  0  0  0  0
 43 46  2  0  0  0  0
M  END
$$$$
COVPDB532
  Mrv2015 05262115513D          

 49 52  0  0  1  0            999 V2000
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   -4.2747   -3.6394    5.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2680   -2.9159    4.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9020   -1.9042    3.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5361   -1.6354    3.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9244   -0.7319    2.9765 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
  6 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
 21 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 33 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 46 47  4  0  0  0  0
 47 48  4  0  0  0  0
 43 48  4  0  0  0  0
 48 49  4  0  0  0  0
 41 49  4  0  0  0  0
M  END
$$$$
COVPDB533
  Mrv2015 05262115523D          

 17 18  0  0  0  0            999 V2000
   -2.2402   -2.1132   -2.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5663   -1.0490   -1.7068 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5295    0.2190   -2.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1086    0.5321   -3.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0913    1.7650   -3.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6995    1.9264   -5.1769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4387    2.8121   -3.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3707    4.1219   -3.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7916    5.0406   -3.1863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8665    2.5122   -2.0954 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8844    1.2696   -1.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2874    0.9808   -0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2644    1.9274    0.3160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3268   -0.2926    0.2191 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878   -0.5761    1.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9840   -1.2828   -0.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0688   -2.4322    0.0233 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  7 10  4  0  0  0  0
 10 11  4  0  0  0  0
  3 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  2  0  0  0  0
 12 14  4  0  0  0  0
 14 15  1  0  0  0  0
 14 16  4  0  0  0  0
  2 16  4  0  0  0  0
 16 17  2  0  0  0  0
M  END
$$$$
COVPDB534
  Mrv2015 05262116073D          

 41 42  0  0  1  0            999 V2000
   -2.9172   -0.3511    7.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6662   -1.1680    6.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6738   -0.3450    5.0624 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6123    0.8148    5.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1595    0.3106    4.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1731   -0.4027    3.5988 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310   -1.6353    3.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4217   -1.2801    3.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483    0.1453    2.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0907    1.1545    2.4944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0084   -0.3631    1.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3281    0.0654   -0.1154 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8511   -0.1443   -0.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0821    1.5534   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4995   -0.8514   -1.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9377    0.3071    4.8058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2471   -0.2555    4.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6017   -1.3737    5.1588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3044    0.3358    4.0034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3139    1.5092    3.1665 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9799    2.3029    2.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0260    3.5428    1.9955 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5957    4.1020    1.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9677    4.6742    2.4926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8915    1.0971    1.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9631    1.6343    1.4935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2436    0.1798    1.0778 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5948   -0.2404   -0.2573 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.9997   -0.9249   -0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1600   -2.2009    0.5509 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.4446   -3.4708    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5609   -4.4507   -0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7440   -3.8372    0.0294 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5574   -2.6436    0.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4936   -1.9779    1.0884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3999    0.9213   -1.2907 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9516    0.6287   -2.5730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6334    1.2977   -1.6018 S   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9858    0.1216   -2.6618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5088    2.7269   -2.3135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7789    1.2786   -0.2487 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 30 34  1  0  0  0  0
 34 35  2  0  0  0  0
 28 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 38 41  2  0  0  0  0
M  END
$$$$
COVPDB535
  Mrv2015 05262115523D          

 18 19  0  0  0  0            999 V2000
    1.4978   -0.0101   -0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0576    0.0398   -0.0254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312    0.6634    1.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6991    2.0459    1.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1675    2.7013    2.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3901    1.9859    3.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8647    2.6644    4.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0937    2.0793    5.6558 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1390    0.5917    3.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6926   -0.0729    2.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5084   -1.4303    2.2936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6978   -2.1451    1.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4136   -3.5906    1.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6178   -4.3365    3.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3627   -5.7208    3.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8954   -6.3421    1.9680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6853   -5.5553    0.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -4.2249    0.8601 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  6  9  4  0  0  0  0
  9 10  4  0  0  0  0
  3 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
M  END
$$$$
COVPDB536
  Mrv2015 05262115523D          

 18 19  0  0  0  0            999 V2000
    1.4711   -0.0421   -0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0322   -0.0391    0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4455    0.5938    1.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7097   -0.1426    2.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2128    0.5043    3.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4397    1.9046    3.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9339    2.5543    4.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1160    1.9560    5.6798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1518    2.6448    2.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6938    1.9792    1.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3102    4.0093    2.1936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1057    4.7280    2.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3942    6.1812    2.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8853    6.8469    3.6433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1482    8.2277    3.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9338    8.9082    2.4314 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4653    8.3080    1.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1852    6.9299    1.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  6  9  4  0  0  0  0
  9 10  4  0  0  0  0
  3 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
M  END
$$$$
COVPDB537
  Mrv2015 05262116093D          

 28 31  0  0  0  0            999 V2000
    1.8151   -1.2101    0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9123   -0.1426    0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4163   -0.2349   -0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025   -2.3475   -0.1264 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2095   -1.1162    0.1354 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8973    0.1549    0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580    0.1755   -0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1374   -1.0009    0.2533 N   0  0  1  0  0  0  0  0  0  0  0  0
    5.4640   -2.2561   -0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9975   -2.3303    0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837   -0.9766   -0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4517    0.0381    0.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8658   -0.0268    0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3825    0.3456   -1.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6935    0.0678   -1.0346 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0349   -0.4441    0.1102 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9622   -0.5015    0.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2947   -0.8686    0.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8479   -0.5077    1.5927 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0994   -0.8655    1.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8838   -1.6708    1.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3555   -2.0929   -0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0507   -1.6720   -0.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5481   -2.0644   -1.6879 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2494   -2.8485   -2.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4873   -3.2788   -2.1948 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0557   -2.9279   -1.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2009   -3.3696   -0.7612 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
$$$$
COVPDB538
  Mrv2015 05262115523D          

 54 58  0  0  1  0            999 V2000
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    0.9430   -9.2971   -9.1857 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4252   -7.4843   -3.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2540   -7.6721   -2.2695 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -8.7374   -1.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5472   -9.7438   -1.6524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9978   -8.5439   -0.4002 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1514   -9.5192    1.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1046  -10.4765    2.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3418   -9.9225    3.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5733   -9.7956    2.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2808   -8.9616    1.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0010   -7.8513    1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6204   -3.7303    4.4531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6485   -3.1741    0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3202   -3.7287   -0.3916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2050   -1.9553   -0.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1441   -0.9961   -0.5920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0468    0.2694   -0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0123    0.7570    0.5507 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1536    1.0172   -0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.3922   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6306   -1.2439    0.3326 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.5649    2.5125   -0.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3255    3.1469   -0.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1259    2.4113   -0.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3051    3.2845   -0.8306 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -7.4409   -0.6033 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1684   -6.8528   -1.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5530   -5.7621   -2.2011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7025   -7.6616   -4.7360 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7592   -8.2097   -4.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6433   -9.2798   -3.4200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0492   -7.4948   -4.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7868   -7.6713   -5.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6576   -6.7284   -6.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3545   -6.9055   -7.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1922   -8.0221   -7.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3223   -8.9704   -6.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6235   -8.7971   -5.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  2  0  0  0  0
  9 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 23 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  1  0  0  0  0
 35 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 34 40  4  0  0  0  0
 40 41  1  0  0  0  0
 19 42  1  0  0  0  0
 11 42  4  0  0  0  0
 42 43  4  0  0  0  0
  8 43  4  0  0  0  0
 43 44  2  0  0  0  0
  6 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  4  0  0  0  0
 50 51  4  0  0  0  0
 51 52  4  0  0  0  0
 52 53  4  0  0  0  0
 53 54  4  0  0  0  0
 49 54  4  0  0  0  0
M  END
$$$$
COVPDB539
  Mrv2015 05262115523D          

 54 59  0  0  1  0            999 V2000
   -0.4577    5.2718   -3.0956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6576    4.0156   -3.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3491    3.8532   -4.5835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0666    2.8574   -2.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9978    2.2608   -1.7592 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3724    1.1170   -1.1735 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5581    0.6482    0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0622    1.3558    0.9953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414   -0.8039    0.3048 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6474   -1.4258    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3133   -2.1264    1.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6879   -2.5843    0.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8604   -3.9217   -0.0192 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0911   -3.9467   -1.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3632   -5.2254   -2.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8791   -5.4286   -2.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6504   -5.4714   -1.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3837   -4.1992   -0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6850   -2.3994    2.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3518   -1.8734    2.4730 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2396   -1.1370    1.5785 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4786   -0.8456    2.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3266   -0.1545    1.4143 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6611   -1.4502    3.2199 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8652   -1.4669    4.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2547   -0.0740    4.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4308   -0.1089    6.0132 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4849    0.9813    6.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4302    2.1176    6.3080 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5751    0.8730    8.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6685   -0.3948    8.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7412   -0.4489   10.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7124    0.7423   11.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7556    0.9767   12.4223 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6869    2.3086   12.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6064    2.9374   11.4000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6208    1.9681   10.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5579    2.0539    9.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4974   -2.0706    3.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2423   -2.7335    4.5353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3027    1.7910   -2.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9832    0.9912   -4.4527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0440    0.1419   -5.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9785   -0.0436   -6.1442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2679   -0.4850   -5.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2886   -1.8276   -6.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9026   -2.7986   -6.5508 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.5134   -2.4479   -6.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7272   -1.7677   -6.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7223   -0.4501   -6.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5108    0.2004   -5.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6580    1.8165   -5.2089 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
  9 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  2  0  0  0  0
 22 24  4  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 33 37  4  0  0  0  0
 37 38  4  0  0  0  0
 30 38  4  0  0  0  0
 24 39  4  0  0  0  0
 20 39  4  0  0  0  0
 39 40  2  0  0  0  0
  5 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  4  0  0  0  0
 48 49  1  0  0  0  0
 48 50  4  0  0  0  0
 50 51  4  0  0  0  0
 51 52  4  0  0  0  0
 52 53  4  0  0  0  0
 47 53  4  0  0  0  0
 53 54  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  34
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB53
  Mrv2015 05262115413D          

 33 32  0  0  1  0            999 V2000
   -6.9148    0.3964    8.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9340   -0.6935    8.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6864   -1.7210    7.4698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7875   -2.7305    6.7249 B   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1080   -3.0776    5.2582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2194   -1.9071    4.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6360   -2.3381    3.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6962   -3.6575    7.5485 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0243   -5.1723    7.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1755   -6.1040    8.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2049   -7.5831    7.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2840   -8.5039    8.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2554   -9.8631    8.1115 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625   -3.2336    7.2263 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5754   -3.6024    6.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0058   -4.3601    5.2717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1778   -3.1040    6.0620 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2130   -1.7031    5.7698 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1686   -0.9502    5.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9830   -1.4349    5.2049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3941    0.4257    4.8095 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4937    1.2164    5.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507    0.2305    3.4368 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0683    0.6648    2.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8684    1.4932    2.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312    0.0989    1.1606 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0693    0.2881   -0.1800 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6188    0.1271   -0.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3807    1.6806   -0.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5965   -0.8363   -1.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2428   -3.5349    7.2873 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5909   -2.7369    8.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0092   -5.1168    7.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 17 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
$$$$
COVPDB540
  Mrv2015 05262115523D          

 52 55  0  0  1  0            999 V2000
   -0.7053   -7.9713   -8.1089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0520   -8.6386   -7.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0080   -9.8882   -7.2023 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5769   -7.9111   -6.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1769   -8.1423   -4.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4396   -7.3498   -3.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2764   -7.6029   -2.2784 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0758   -8.4712   -1.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0842   -9.2120   -1.2930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8804   -8.4284   -0.3749 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0844   -9.2490    0.8747 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4068  -10.7136    0.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8045  -10.9182   -0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7880  -11.8891   -1.2890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8965  -12.3493   -1.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0502  -12.0485   -1.5425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7477  -13.1764   -3.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8544  -14.6351   -2.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1130  -15.2813   -2.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2020  -16.6780   -2.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0328  -17.4498   -2.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1336  -19.1349   -2.4348 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7778  -16.8132   -2.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6912  -15.4175   -2.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1621   -8.7604    1.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9703   -7.7377    1.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8907   -6.9930    0.1973 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7043   -5.5470    0.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5703   -4.7327    0.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5746   -5.1259    1.0983 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2091   -3.7614    1.3458 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1535   -3.6953    2.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6617   -4.2403    3.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1044   -5.3457    4.3128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6225   -3.6949    4.3533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6831   -3.1609    0.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2701   -3.7245   -0.5041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2170   -1.9180   -0.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1493   -0.9643   -0.6124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408    0.2782   -0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862    0.7510    0.6224 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1588    1.0198   -0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282    0.3894   -0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6307   -1.2558    0.3123 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6168    1.1360   -0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5672    2.5084   -0.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3280    3.1401   -0.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282    2.4079   -0.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3053    3.2658   -0.8663 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7707   -7.4895   -0.6563 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4345   -7.0323   -1.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0814   -6.1812   -2.5374 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  2  0  0  0  0
  8 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 21 23  4  0  0  0  0
 23 24  4  0  0  0  0
 18 24  4  0  0  0  0
 11 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 31 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  4  0  0  0  0
 43 44  1  0  0  0  0
 43 45  4  0  0  0  0
 45 46  4  0  0  0  0
 46 47  4  0  0  0  0
 47 48  4  0  0  0  0
 42 48  4  0  0  0  0
 48 49  1  0  0  0  0
 27 50  1  0  0  0  0
 10 50  4  0  0  0  0
 50 51  4  0  0  0  0
  7 51  4  0  0  0  0
 51 52  2  0  0  0  0
M  END
$$$$
COVPDB541
  Mrv2015 05262116033D          

 13 13  0  0  1  0            999 V2000
   -0.1597    0.9488    0.5080 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4249   -0.0889   -0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931   -1.4502   -0.0214 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5796   -1.3104   -0.4979 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3535   -2.6747   -0.7433 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5811   -2.3900   -2.1226 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6686   -3.1278   -0.0449 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1414   -4.3410   -0.6296 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4426   -3.3340    1.4776 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6883   -3.5775    2.1265 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7411   -2.1011    2.1073 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4545   -1.7320    1.3877 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3359   -2.4092    3.4356 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
$$$$
COVPDB542
  Mrv2015 05262116103D          

 35 39  0  0  1  0            999 V2000
   -0.2966   -0.0555   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0441   -0.0306   -0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8846   -1.1531   -0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3171   -2.2481   -0.3067 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2644   -1.1568    0.1895 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9980   -2.4126    0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3682   -2.4234   -0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2617   -1.2166    0.0152 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4231    0.0722   -0.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0409    0.0458    0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6784   -1.1811   -0.6813 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5809   -2.4365   -0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2019   -2.4291    1.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6589   -1.1352    1.4230 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3211   -0.0053    0.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4351   -0.0185   -0.2727 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7885    1.2997    0.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7374    1.7472    1.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1395    0.9830    2.7701 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2737    2.9829    1.8569 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1125    2.0182   -0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3420    1.1670   -0.7884 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1178    3.4046   -0.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7206    4.3115    0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7569    5.6964    0.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1993    6.1978   -0.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5150    5.2944   -1.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4808    3.9060   -1.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3119    7.5507   -1.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5748    7.9727   -0.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5891    7.9912   -1.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8925    8.4014   -1.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1872    8.8139   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1780    8.8136    0.9767 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8741    8.3990    0.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 11 16  1  0  0  0  0
 15 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 17 21  4  0  0  0  0
 21 22  4  0  0  0  0
 16 22  4  0  0  0  0
 21 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 30 35  4  0  0  0  0
M  END
$$$$
COVPDB543
  Mrv2015 05262115413D          

 30 30  0  0  1  0            999 V2000
   -3.7792    2.2331    0.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4061    1.6874    1.7202 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9586    1.7373    1.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8939    2.5306    2.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9469    0.3218    1.7987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1126   -0.6271    2.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7403   -0.4004    3.8267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5238   -1.8237    2.5217 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4722   -2.9408    3.4174 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7882   -3.7585    3.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2956   -3.7558    3.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3146   -3.8030    3.8083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2530   -4.3787    1.8096 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0842   -4.9490    1.2034 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4844   -6.0341    0.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3055   -3.8212    0.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4610   -3.4708   -0.5669 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5211   -3.1125    1.4356 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1505   -2.0283    1.0517 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4427   -1.9778    0.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0924   -3.0497    0.5348 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0342   -0.7316    0.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3730   -0.6550   -0.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9506    0.5757   -0.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2229    1.7899   -0.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7796    2.9681   -0.8280 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1320    4.0636   -0.8201 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.8965    3.0738   -1.1582 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8834    1.7074   -0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3033    0.4770    0.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 25 29  4  0  0  0  0
 29 30  4  0  0  0  0
 22 30  4  0  0  0  0
M  CHG  2  26   1  27  -1
M  END
$$$$
COVPDB544
  Mrv2015 05262115413D          

 25 26  0  0  1  0            999 V2000
    1.0446   -0.8077   -9.3011 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1360   -1.9492   -8.7501 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.8354   -2.7004   -9.3097 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4720   -2.2637   -7.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5404   -3.5610   -7.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1820   -3.8923   -5.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0137   -2.9380   -5.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0638   -1.6369   -5.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3387   -1.3081   -6.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7912   -3.1760   -4.1602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2480   -4.3417   -3.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0861   -5.4491   -4.1665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0321   -4.3081   -2.3448 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5528   -4.3317   -2.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7360   -3.1398   -1.5687 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8865   -3.0718   -0.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2144   -4.0581   -0.1267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8055   -1.8591    0.0989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9303   -1.4393    1.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1544   -0.2979    0.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2387   -0.3897    0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9376    0.6797   -0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2551    1.8551   -0.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1249    1.9674   -0.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8235    0.8994    0.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
$$$$
COVPDB545
  Mrv2015 05262115483D          

 16 17  0  0  1  0            999 V2000
    1.6134   -0.8564    4.1551 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6311    0.3759    3.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4561    1.4252    4.7626 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138    2.3545    3.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8158    1.1484    2.7244 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7512    0.9642    1.7917 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8854    0.8247    0.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0060    0.7761   -0.1092 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2713    0.7666   -0.2647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4300    0.6769   -1.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6075   -0.1641   -2.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8900    0.2022   -1.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0236   -0.5621   -1.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8885   -1.7054   -2.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6177   -2.0938   -3.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4850   -1.3285   -2.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
M  END
$$$$
COVPDB546
  Mrv2015 05262115503D          

 10  9  0  0  0  0            999 V2000
    0.2620    0.2933    1.6222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9547   -0.4458    0.9273 P   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1397   -1.8520    1.6359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793    0.3505    1.0595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6063   -0.7120   -0.6101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3443    0.4747   -1.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0353    0.0961   -2.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7809    0.5134   -3.7011 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1429   -0.7367   -3.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3982   -1.0356   -4.9971 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$
COVPDB547
  Mrv2015 05262115473D          

 45 48  0  0  1  0            999 V2000
    1.4691    5.1159   -1.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1187    3.9379   -0.6570 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1282    3.3490   -1.4899 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2541    3.6379   -0.8865 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1326    4.1729    0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2679    4.4924    1.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8302    4.3331    0.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1978    4.7999    1.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2323    3.5555    3.1124 S   0  0  1  0  0  0  0  0  0  0  0  0
    1.8463    2.1122    2.5295 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6993    3.4749    3.7557 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0482    3.9880    4.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2149    5.4594    4.9475 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7211    5.7031    6.2686 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3037    5.2927    7.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2559    4.4771    7.3687 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8861    5.7649    8.6714 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3946    5.2202    9.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9707    6.3560   10.8037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0422    7.4549   10.9322 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5974    7.9843    9.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0492    6.8671    8.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5438    6.4350    4.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2112    7.3980    3.6018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724    6.2852    3.7127 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4829    7.0829    2.7561 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6025    6.2495    2.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0816    5.0232    1.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1411    4.3978    0.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0162    3.4203    0.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0101    2.8301    0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1540    3.2196   -1.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2951    4.1908   -1.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2981    4.7764   -0.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0519    8.2466    3.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7355    9.5140    3.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4565   10.9113    3.8879 S   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9728   11.9189    2.7458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3282   11.6883    4.7295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8145   10.4858    4.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5816   10.2069    6.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6507    9.8573    7.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9585    9.7836    6.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1981   10.0603    5.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1283   10.4072    4.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
 26 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  2  0  0  0  0
 37 40  1  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 40 45  4  0  0  0  0
M  END
$$$$
COVPDB548
  Mrv2015 05262115423D          

 10 11  0  0  1  0            999 V2000
    1.1275   -0.2592    0.5621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -0.1247    0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9689   -1.0729    0.0886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4444    0.9863   -0.5621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8308    0.8575   -0.8803 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0681   -0.6699   -0.7259 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6395    1.7527    0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9158    1.2231    0.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2801   -0.0616    0.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -1.1020   -0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
$$$$
COVPDB549
  Mrv2015 05262115523D          

 34 36  0  0  1  0            999 V2000
    4.5942    1.5642    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3518    0.9121   -0.2311 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2747    1.1466    0.4591 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2453    0.4131   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7509   -0.3277   -1.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0971    0.0011   -1.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9704   -0.5239   -2.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1556   -0.1216   -2.2673 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5146   -1.4524   -3.0829 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2340   -2.0069   -4.1965 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5672   -3.3567   -4.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6674   -4.3954   -3.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5850   -4.6372   -2.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6878   -5.6060   -1.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8803   -6.3331   -1.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9803   -6.1119   -2.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547   -5.1495   -3.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1892   -6.8234   -2.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1139   -7.0715   -3.0949 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0970   -7.7183   -2.5596 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8245   -7.8862   -1.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7108   -8.5323   -0.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9986   -7.8328   -0.2148 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6191   -7.3452   -0.9794 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2535   -1.0665   -5.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3662   -0.1854   -5.4629 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2427   -1.1835   -6.2835 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4224   -0.3795   -7.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8785   -0.4347   -7.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0124   -0.4736   -7.8636 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1569    0.3931    0.5236 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3160    1.4160    1.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4792   -1.0426    1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1594    0.7831   -0.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  4  0  0  0  0
 18 24  4  0  0  0  0
 10 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  3  0  0  0  0
  4 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
$$$$
COVPDB54
  Mrv2015 05262115443D          

 20 21  0  0  0  0            999 V2000
    4.6799    2.0971   -6.1940 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3321    1.8407   -4.7254 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.3367    2.2308   -3.6374 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7777    1.4874   -4.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7158    0.7073   -3.1192 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1328   -0.5838   -2.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6107   -1.1597   -3.9980 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0387   -1.2955   -1.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6267   -2.5280   -1.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5155   -3.3588   -2.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2545   -2.8894   -0.2087 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4825   -1.9680    0.2881 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3238   -0.9741   -0.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5190    0.1504   -0.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1370    1.3981   -0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3634    2.5348    0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0364    2.4324    0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6627    1.1935    0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1047    0.0529   -0.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7225   -1.4003   -0.5198 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$
COVPDB550
  Mrv2015 05262115433D          

 18 19  0  0  0  0            999 V2000
    8.4873    2.8879    2.9391 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1592    3.5818    3.2629 B   0  0  0  0  0  0  0  0  0  0  0  0
    7.1166    4.7274    4.2790 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8166    2.9427    2.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5724    2.8618    1.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4065    2.2362    0.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4613    1.6905    1.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7043    1.7977    3.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8693    2.4262    3.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2945    1.0389    1.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150    1.6988    0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535    1.0578   -0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0430   -0.2557    0.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8284   -0.9261    1.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9888   -0.2827    1.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3442   -0.9766   -0.1690 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2598   -1.8845   -1.3976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5717   -1.0562    0.7417 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
$$$$
COVPDB551
  Mrv2015 05262115413D          

 37 39  0  0  1  0            999 V2000
   -1.3958   -4.1765    3.3400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -4.4608    4.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2775   -4.5089    5.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5434   -4.2743    5.0046 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0312   -4.8075    6.7614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7700   -5.0553    7.1710 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2950   -5.0179    6.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5114   -5.3391    6.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3698   -6.4115    6.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4941   -6.5229    7.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5920   -5.5509    8.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1948   -4.5073    8.3565 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1177   -4.6892    4.9976 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345   -4.4939    4.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3432   -5.5163    3.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5502   -6.7078    3.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2733   -5.1306    1.7025 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5789   -5.9283    0.5450 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3774   -6.0099   -0.4633 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9152   -6.5589    0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7236   -6.8885   -1.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8654   -5.4159   -0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7904   -6.2533   -0.1774 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545   -3.9916   -0.4083 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9622   -3.1746    0.6828 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4901   -3.8138   -0.7068 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891   -3.5210   -1.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6519   -4.0188   -2.7114 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4305   -2.5577   -1.4653 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6530   -1.9859   -2.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3281   -0.4972   -2.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5244    0.1064   -3.3125 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2543    1.5529   -3.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1001    2.0463   -4.7886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4996    1.7583   -4.5974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7717    0.3611   -4.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9893   -0.1539   -3.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
  7 13  4  0  0  0  0
  2 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 37  1  0  0  0  0
M  END
$$$$
COVPDB552
  Mrv2015 05262116133D          

 13 13  0  0  1  0            999 V2000
    3.6224   -2.7192    1.7559 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2701   -2.5431    1.3508 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1401   -1.2284    0.7589 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7985   -0.9067    0.3187 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2158   -0.9939    1.4998 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5484   -0.7543    1.0468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1293   -2.3836    2.1857 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9671   -2.3998    3.3386 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3386   -2.6958    2.5826 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4381   -4.0097    3.1293 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.4390   -0.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4182    0.6101   -1.5809 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1386    1.4471    0.3668 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
$$$$
COVPDB553
  Mrv2015 05262116103D          

 21 21  0  0  1  0            999 V2000
   -3.5207   -4.2027    1.7056 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6865   -3.6156    0.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4734   -3.9184    0.9083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1680   -2.6609   -0.2033 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9092   -3.1905   -1.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5477   -2.3239   -2.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1923   -2.8312   -4.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9746   -2.1465   -5.1790 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6631   -1.9333   -6.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4760   -2.0776   -6.9274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7243   -1.5078   -7.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9781   -2.7408   -7.4710 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4559   -1.4283   -0.0448 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9866   -0.1808    0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2262   -0.0204    0.2080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1275    0.9501    0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7924    0.8837    0.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0640    1.9966    0.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3985    3.1985   -0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7188    3.2870   -0.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5769    2.1749   -0.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
M  END
$$$$
COVPDB554
  Mrv2015 05262115533D          

 12 12  0  0  0  0            999 V2000
    0.3342    0.8920   -0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4374    2.2947    0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7191    3.0864    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9804    2.4711    0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0834    1.0703    0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9304    0.2455    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0573   -1.1756   -0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1980   -1.6963   -0.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0294   -2.0048   -0.1085 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0171   -3.4260   -0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3968   -4.0186   -0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3972   -5.8150   -0.2520 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$
COVPDB555
  Mrv2015 05262115533D          

 20 21  0  0  0  0            999 V2000
   -0.1590    3.1044   -0.3218 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4539    2.0304    0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8962    0.6293    0.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8977   -0.2303    1.2356 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7668   -1.5831    1.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7590   -2.1653    0.8786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7915   -2.3956    2.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9444   -2.0741    3.5762 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6283   -2.0933    4.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0667   -0.8980    4.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800   -0.9054    5.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876   -2.1099    5.6209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3473   -3.3059    5.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8955   -3.2962    4.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9636   -2.9045    4.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7307   -2.3139    5.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6726   -3.0597    6.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8724   -4.4193    5.7956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1283   -5.0302    4.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1839   -4.2831    4.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
  8 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
M  END
$$$$
COVPDB556
  Mrv2015 05262115503D          

 30 31  0  0  1  0            999 V2000
   -3.3942    4.1541    1.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1383    2.9952    0.8715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7835    3.0954   -0.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1155    1.8411    1.5909 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8378    0.6381    1.2885 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3419    0.8090    1.6591 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.1275   -0.2546    1.1229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5111    0.9472    3.1969 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.8426    1.0453    3.5365 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7712   -0.1734    3.9984 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6256    0.3235    5.3320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4167   -0.3674    3.5140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1787   -0.5358    2.0879 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4864   -1.9909    1.5960 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8437   -2.9147    2.4751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1087   -2.3617    0.1204 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7424   -3.6014   -0.1989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5966   -2.5355   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8684   -1.3078   -0.1411 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5047   -1.2020   -0.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1730   -2.2589   -0.1725 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630    0.0621   -0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5539    1.2877   -0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1152    2.5249   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5176    2.5672    0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2506    1.3702    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5810    0.1339   -0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4870   -1.4679    4.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9820   -2.4374    4.9385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5640   -1.7179    3.5546 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 10 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
$$$$
COVPDB55
  Mrv2015 05262115423D          

 40 43  0  0  1  0            999 V2000
    0.6660   -0.3630   10.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6587   -0.8655    8.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7254   -0.1519    7.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7779   -0.6530    6.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7486    0.1255    5.5259 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0974    0.0096    4.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200   -0.8410    3.4928 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229    0.8382    3.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5959    1.7038    4.4656 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7037    0.7351    2.3180 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9505   -0.6395    1.9801 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8311   -1.0847    1.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3980   -0.2871    0.2617 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1760   -2.4491    0.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3341   -3.1095   -0.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7986   -4.3856   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9307   -4.4724    1.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5230   -5.5929    2.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0589   -5.1001    3.4480 N   0  0  2  0  0  0  0  0  0  0  0  0
    7.0407   -4.2678    4.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5384   -3.1551    3.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1889   -2.1023    3.9003 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5092   -3.3190    1.9469 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6188   -4.2476    3.3245 S   0  0  1  0  0  0  0  0  0  0  0  0
    9.4455   -2.9140    2.4497 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0713   -3.8090    4.7991 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9649   -5.2585    2.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1203   -4.3600    2.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0919   -4.1392    3.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1111   -3.1865    3.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1772   -2.4483    1.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2470   -2.6932    0.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2280   -3.6457    1.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9283    1.5409    1.2144 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4103    1.2104    1.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413    1.9959   -0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9846    3.5284    0.0185 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4537    4.2014   -1.1769 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4931    3.8606    0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1242    3.0832    1.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 14 23  4  0  0  0  0
 17 23  4  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
 10 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 34 40  1  0  0  0  0
M  END
$$$$
COVPDB560
  Mrv2015 05262116103D          

 12 12  0  0  1  0            999 V2000
    1.4661   -0.4737    0.1272 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7607    0.7616    0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0640    1.0315   -1.1875 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8349    2.3062   -1.2080 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9594    2.7698   -2.5534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2540    2.0541   -0.6195 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2005    1.9930    0.8060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8989    0.7560   -1.1821 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3105    0.9702   -2.5329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9169   -0.4428   -1.1158 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6379   -0.1249   -1.7066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7802   -0.9218    0.2216 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$
COVPDB561
  Mrv2015 05262115423D          

 26 28  0  0  1  0            999 V2000
   -2.6155    2.7616    5.1385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5195    4.1664    4.9027 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9006    4.7333    4.4662 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8497    4.5885    5.5233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7957    6.2256    4.0396 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0313    6.6513    3.4661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6260    6.4333    3.0293 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3633    7.9246    2.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2959    8.0464    1.7699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4022    5.8790    3.5636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4466    4.4560    3.8210 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1604    3.9866    4.2872 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9376    4.1780    3.3643 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1844    3.6764    3.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7224    4.3538    4.9054 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    2.4687    3.6145 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8007    2.0532    4.2131 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6744    3.5700    2.0749 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0132    2.2473    1.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1007    1.6930    2.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2937    1.4663    1.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6951    0.1456    0.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7957   -0.4012    1.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4918    0.3617    2.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0232   -0.6033   -0.1900 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994   -0.4919   -1.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 16 20  1  0  0  0  0
 19 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 20 24  4  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$
COVPDB562
  Mrv2015 05262116103D          

 18 18  0  0  1  0            999 V2000
    4.3989   -0.8740   -3.3062 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4596   -2.3734   -2.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9214   -2.1552   -3.0469 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1449   -3.5005   -3.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4006   -1.2118   -2.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0247   -0.0709   -2.3763 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3437   -1.6012   -0.7108 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9232   -0.8422    0.4277 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5712   -1.9385    1.6066 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -1.6124    3.0659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2919   -3.1639    1.2842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2232    0.0990    0.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0298    1.4933    0.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0876    2.3996    0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3631    1.9280   -0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3424    2.7730   -0.3434 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5764    0.5473   -0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5153   -0.3588   -0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  1  0  0  0  0
 15 17  4  0  0  0  0
 17 18  4  0  0  0  0
 12 18  4  0  0  0  0
M  END
$$$$
COVPDB563
  Mrv2015 05262115403D          

 13 13  0  0  1  0            999 V2000
   -0.2648    0.0065    1.4670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5983   -0.1428    1.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3248    0.8681    1.4503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1745   -1.4632    0.9620 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7199   -1.3987   -0.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1732   -3.3203   -1.2780 I   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2672   -1.9192    1.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7696   -2.0418    3.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9303   -0.9798    4.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345   -1.0833    5.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7746   -2.2558    6.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6254   -3.3286    5.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1179   -3.2213    3.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
M  END
$$$$
COVPDB564
  Mrv2015 05262115493D          

 14 15  0  0  1  0            999 V2000
   -1.0432   -0.7321   -3.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8775   -1.4424   -2.5631 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7731   -2.5373   -3.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9286   -0.1482   -1.7788 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0695   -0.0486   -0.1746 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0353    1.0511    0.2169 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9847    2.7589   -1.0440 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0239    0.0572   -0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2254    0.0836   -0.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414   -0.8181   -0.5323 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9513   -1.9526   -1.3918 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4064   -3.1594   -0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7360   -4.3269   -0.7867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4262   -3.1518    0.0730 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
$$$$
COVPDB565
  Mrv2015 05262115413D          

 19 19  0  0  1  0            999 V2000
   -2.6585    3.0356   -3.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8195    1.9503   -3.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5900    2.0286   -3.3565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3975    0.9362   -2.4155 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8062   -0.2248   -1.8075 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3079   -0.5330   -2.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1325   -1.8953   -1.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0373   -2.9811   -2.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3934   -4.2690   -2.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9791   -4.4981   -0.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1570   -3.4445   -0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7679   -3.7251    1.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9060   -4.9926    1.6854 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2129   -2.8257    1.9704 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7240   -2.1395   -0.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8556   -1.0882    0.4461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0706   -0.0612   -0.1886 B   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6846   -1.2089    0.6176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6197    1.2167    0.5266 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 11 15  4  0  0  0  0
  7 15  4  0  0  0  0
 15 16  1  0  0  0  0
  5 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
$$$$
COVPDB566
  Mrv2015 05262115413D          

 18 18  0  0  1  0            999 V2000
    2.7669    4.4713   -3.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9051    4.3959   -2.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9084    3.7606   -3.0376 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8282    5.0014   -1.4102 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7802    5.0400   -0.3297 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0418    4.1352   -0.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8687    4.0490    0.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0210    4.8509    0.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8244    4.7451    2.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4798    3.8420    3.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3324    3.0210    2.9997 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5389    3.1410    1.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0031    2.0997    4.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7573    1.9914    5.1535 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0100    1.3412    3.9522 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1943    6.6255   -0.1305 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.1091    7.2899    1.2482 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6524    7.4518   -1.3355 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  5 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
$$$$
COVPDB567
  Mrv2015 05262116113D          

 23 24  0  0  1  0            999 V2000
    6.5003    0.1738    1.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3178   -0.5075    3.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9662   -0.3134    3.4793 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4758   -0.3030    4.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1960   -0.4819    5.7569 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0392   -0.0836    4.9143 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5976    0.9952    5.7515 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4920    1.2118    4.3362 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1977    1.0639    3.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1946    1.6499    4.1345 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1563    0.2759    2.5633 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0066   -0.0796    1.8077 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1696    0.3182    0.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1206    1.7917    0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3082    2.5359   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2616    3.9307   -0.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0268    4.6063   -0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236    5.9557   -0.4035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1652    3.8735   -0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172    2.4774    0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1901   -1.5416    1.9551 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8032   -2.4062    1.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2656   -2.0106    2.3918 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 14 20  4  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
$$$$
COVPDB568
  Mrv2015 05262115513D          

 23 27  0  0  1  0            999 V2000
    3.2336    2.7166    2.8103 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3180    2.5774    1.6695 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8716    3.9113    1.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8972    4.0299   -0.0971 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    4.9820    1.8905 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5674    5.1366    3.3041 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2996    6.3742    3.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7652    6.3640    3.7488 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0193    6.8226    2.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6800    6.0860    1.2932 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5235    6.9074    0.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2394    7.5895   -0.0089 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1454    1.5419    1.9197 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7402    0.0949    2.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6077   -0.9602    2.3365 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2277   -0.5824    3.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8616    0.8285    3.3937 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7930    0.8102    2.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9557    0.4275    0.8780 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7995    0.4166   -0.2735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3185   -0.9829    1.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1775    1.4829    0.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2665    1.8865    3.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  3  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 15 21  1  0  0  0  0
 19 22  1  0  0  0  0
 13 22  1  0  0  0  0
 17 23  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
$$$$
COVPDB569
  Mrv2015 05262115413D          

 24 25  0  0  1  0            999 V2000
    0.5865   -3.1599   -0.1723 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6908   -2.3571   -0.8674 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.9867   -2.6233   -2.3489 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5576   -1.2203   -0.0332 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7522   -1.5949    1.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7052   -0.6810    2.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2598    0.5368    2.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1658    1.4204    3.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292    1.0853    3.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0095   -0.1396    2.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0790   -1.0050    2.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3831   -0.4918    2.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2819    0.3094    3.6086 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8331   -1.5609    2.5132 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0217    0.0980   -0.1772 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.5082    0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1566   -0.3001    0.4151 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4725    1.9570    0.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7471    2.6021   -1.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2097    2.5387   -2.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0521    3.1294   -3.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2742    3.7881   -3.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2349    3.8575   -2.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9704    3.2737   -1.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
M  END
$$$$
COVPDB56
  Mrv2015 05262115573D          

 38 42  0  0  1  0            999 V2000
    5.5729   -3.2623  -11.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1144   -3.1089  -11.5476 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5398   -1.6313  -11.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6373   -4.0923  -10.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9882   -5.3947  -10.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4384   -6.3663  -10.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5434   -6.0675   -8.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2242   -4.7618   -8.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7517   -3.7972   -9.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9472   -7.0560   -7.8357 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4230   -7.3573   -6.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0471   -8.2101   -5.9360 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2362   -6.7984   -6.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433   -6.7399   -6.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8943   -6.1149   -6.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9168   -5.5486   -5.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0772   -5.6422   -4.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2295   -6.2693   -4.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0767   -5.1105   -2.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7347   -3.8451   -2.5922 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8342   -3.6488   -1.3050 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2368   -4.7968   -0.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3800   -5.7568   -1.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4496   -5.0974    0.5791 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047   -6.3630    0.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9318   -7.3276   -0.0264 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7178   -7.0739   -1.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8005   -8.0847   -2.2276 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4835   -2.4315   -0.6180 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9551   -1.1624   -1.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    0.0731   -0.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0037    0.1427   -0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2867   -1.1071   -0.1557 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9466   -2.3992   -0.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9077   -1.0933    0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3219   -2.1896    0.3008 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1065    0.0572    0.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2348    0.0736    0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 17 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 19 23  4  0  0  0  0
 22 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 23 27  4  0  0  0  0
 27 28  1  0  0  0  0
 21 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 29 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
$$$$
COVPDB570
  Mrv2015 05262116153D          

 34 34  0  0  1  0            999 V2000
    1.5281    0.2046   -0.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1588    0.2223   -0.2288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    1.1744    0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1831    2.1809    0.9462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8571    0.9856    0.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9751    0.7292    2.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3467    0.3737    2.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958    1.1898    3.5730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8482   -0.8519    2.5489 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0696   -1.4285    3.0290 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0812   -1.7065    1.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6940   -2.6059    3.8641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0234   -2.5931    5.0732 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9643   -3.7067    3.5127 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5014   -4.1489    2.2325 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9492   -4.1448    2.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0464   -5.4881    1.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7836   -5.7904    0.6310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7858   -6.4096    2.5701 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1761   -6.2530    3.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9692   -7.5150    4.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5738   -8.5409    3.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2243   -7.6744    2.0343 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3644   -7.5110    1.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2321   -7.9153   -0.0880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5343   -6.9445    1.5056 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7265   -6.8228    0.7240 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.5028   -5.7143   -0.4798 B   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9168   -4.3344   -0.1679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1412   -5.9571   -1.8509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9474   -6.4241    1.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2648   -7.3537    2.8293 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.4612   -6.8047    3.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5302   -8.8317    2.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
$$$$
COVPDB571
  Mrv2015 05262115443D          

 29 30  0  0  1  0            999 V2000
   -2.0310   -6.2972    1.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8936   -6.8695    3.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0211   -8.3057    3.0582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2591   -8.7646    2.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4341   -8.2245    1.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2417   -6.7808    0.9896 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1536   -5.9355    0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1859   -6.4186   -0.1629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9885   -4.5734    0.2803 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8885   -3.6406   -0.3526 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7617   -2.1600    0.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3648   -1.9734    1.6502 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3575   -2.6590    2.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1972   -0.4696    2.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8137   -3.8250   -1.8363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7906   -4.3961   -2.3753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125   -3.5270   -2.7267 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6701   -2.6605   -2.6330 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0204   -2.7308   -3.8425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4656   -2.7910   -4.8466 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6433   -2.8927   -1.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8081   -1.7202   -1.3792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0787   -1.5733   -0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4783   -0.1995   -0.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3903    0.9147   -0.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1224    2.2252   -0.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5090    2.4390   -0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3795    1.3434   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8686    0.0321    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  3  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
M  END
$$$$
COVPDB572
  Mrv2015 05262116093D          

 12 12  0  0  1  0            999 V2000
    1.4666   -0.4700    0.1288 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7624    0.7664    0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0592    1.0309   -1.1883 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8451    2.3025   -1.2080 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0064    2.7364   -2.5589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2488    2.0545   -0.5864 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1652    2.0043    0.8369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8965    0.7618   -1.1499 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1034    0.4623   -0.4510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9202   -0.4429   -1.0926 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6439   -0.1296   -1.6916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7725   -0.9411    0.2367 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$
COVPDB573
  Mrv2015 05262116103D          

 34 34  0  0  1  0            999 V2000
    5.7697   -2.5062    0.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3878   -2.2945    1.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4271   -1.4397    0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0033   -1.3224    0.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9881   -0.5540   -0.1420 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5357   -0.7001    0.4757 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7397   -0.7443   -0.4701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7600   -0.5128    1.9776 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3108    0.8386   -0.2285 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8422    1.7053   -1.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0840    1.3086   -2.0916 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248    3.1423   -1.1421 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7399    3.3439   -1.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1419    4.4616   -0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1808    4.2504    0.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9651    3.7961    0.1204 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2861    4.0515    0.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3473    4.6507    1.7759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5957    3.7825    0.0014 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2169    5.1308   -0.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6213    3.0439    0.6917 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7026    2.5555    1.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7516    2.6168    2.7785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9800    1.9349    2.4125 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1636    0.5235    1.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0844    2.7633    2.0189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3773    2.6045    2.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6702    1.8666    3.3873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4604    3.2545    1.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4499    2.8008    0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6858    3.1151   -0.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0770    4.3030   -0.6795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3546    2.1021   -1.2293 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5852    2.1632   -1.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
$$$$
COVPDB574
  Mrv2015 05262116033D          

 28 29  0  0  1  0            999 V2000
    5.1981   -0.5741    0.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2592   -0.0327   -0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2146    0.7853    0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    1.0550    1.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0571    0.5094    2.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0767   -0.3027    1.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9411   -0.8381    2.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9420    0.2877    2.9426 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1142    0.7962    1.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1403    2.0248    1.5674 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3328   -0.0508    1.0927 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4895    0.3383    0.0042 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9645    0.8435    0.6001 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5927    0.1686    1.8246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6398    2.0702   -0.0203 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2697   -0.8170   -1.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5573   -1.4019   -1.6812 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1998   -2.6117   -2.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3574   -0.3479   -2.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0679   -0.1182    3.9998 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336   -0.2241    5.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383   -0.1193    5.6432 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4767   -0.4196    6.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1390    0.0301    6.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7018   -0.1526    7.2747 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3106   -0.7613    8.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0116   -1.2216    8.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517   -1.0284    7.4814 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
M  END
$$$$
COVPDB575
  Mrv2015 05262115463D          

 41 41  0  0  1  0            999 V2000
   -8.5130  -10.0623   -6.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0679   -9.9767   -6.4103 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3264   -9.0709   -7.2458 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3896   -8.1065   -7.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0055   -7.5279   -8.0435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7953   -7.7000   -5.6981 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1039   -6.2891   -5.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5471   -5.9169   -4.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0037   -4.4767   -4.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5727   -4.2900   -2.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0011   -3.0199   -2.3808 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6358   -2.6749   -1.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8222   -3.4591   -0.1525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0357   -1.4691   -0.9072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5942   -0.9929    0.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1410    0.2788    0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5570    1.5049    0.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1455    2.7148   -0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5508    2.7117   -0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2546    1.4974   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.2877    0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8203   -8.6709   -5.2852 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6454   -9.1202   -4.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4925   -8.8980   -3.1126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3624   -9.7499   -3.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1346  -11.1337   -4.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7799  -11.8216   -3.9134 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4816  -13.1146   -4.4808 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2992  -13.9649   -5.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8557  -15.1041   -5.4225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5426  -13.5866   -5.5619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7212  -14.2980   -5.9746 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4063  -14.8480   -4.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4272  -15.4329   -6.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6113  -13.2087   -6.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6271  -11.9632   -2.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3853  -11.3420   -1.7965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4363  -12.6416   -1.7727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1387   -9.7336   -4.7775 B   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6976  -10.8508   -3.8269 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9197   -8.5478   -4.2021 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 27 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
  2 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
M  END
$$$$
COVPDB576
  Mrv2015 05262115543D          

 31 34  0  0  1  0            999 V2000
   -4.5857    2.7244    2.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0593    2.4068    2.1002 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4266    2.7763    3.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7986    0.6000    1.8541 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4799    0.6900    0.5958 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0427    0.5525    0.9146 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2868    0.0618    2.2287 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0924   -0.9544    2.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1141   -1.1332    3.8672 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9154   -1.7991    1.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2946   -1.8122    2.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1870   -2.6751    1.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7169   -3.5465    0.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3554   -3.5455    0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4372   -2.6720    0.8114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0666   -2.7705    0.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8639   -3.2037    1.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2129   -3.4115    1.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6582   -3.1811   -0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7560   -2.7390   -1.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862   -2.5263   -0.9217 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4639   -2.0868   -1.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1941   -2.3797   -3.2711 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5038   -1.4184   -1.7796 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0571    2.0137    0.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9429    2.8746    1.0393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2584    2.0811    0.6670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2474    3.0717    0.9220 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9932    3.4021   -0.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1342    4.6952   -0.6948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5135    2.5147   -1.0301 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  6 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
  5 27  1  0  0  0  0
 27 28  1  0  0  0  0
  2 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
$$$$
COVPDB577
  Mrv2015 05262116083D          

 24 26  0  0  1  0            999 V2000
    3.3604   -2.5212   -0.0674 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0501   -1.2909    0.1790 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4393   -1.6073    0.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2150   -1.5487    2.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8159   -1.2363    2.4541 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0265   -1.7298    3.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7762   -1.6784    3.3982 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -2.2997    4.6505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8674   -3.0752    5.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3864   -0.4629    1.3060 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9563   -0.0781    1.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4469    0.6334    2.0304 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2278   -0.3916    0.0174 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1025   -0.1503   -0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5260    0.4741   -1.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0660   -0.5251    0.7964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4298   -0.2555    0.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8575    0.3889   -0.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8928    0.7693   -1.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2260    0.6720   -0.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6330    1.3572   -1.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4321    1.7552   -2.2463 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6773    1.7456   -2.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3164    1.4485   -2.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5 10  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 15 19  4  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 21 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
M  END
$$$$
COVPDB578
  Mrv2015 05262115573D          

 27 29  0  0  0  0            999 V2000
    1.7272   -0.7064    0.0766 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.0326    0.9096    0.8717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4114    1.0611    0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3584    0.1323    1.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7168    0.2374    0.7054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1363    1.3093   -0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2120    2.2162   -0.5267 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8928    2.1271   -0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4744    1.4582   -0.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1099    2.6358   -0.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3698    2.3479   -1.2591 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5244    1.0180   -1.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3788    0.4606   -0.6518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7018    0.3126   -1.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7459    0.9753   -1.6361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7060   -1.1673   -1.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0465   -1.7820   -2.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9595   -3.3174   -2.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3080   -3.9253   -2.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2264   -5.4649   -2.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5683   -6.1025   -3.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4785   -7.5812   -3.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7595   -8.4474   -2.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7019   -9.8463   -2.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3542  -10.4014   -3.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0671   -9.5548   -4.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1247   -8.1558   -4.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  9 13  4  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
M  END
$$$$
COVPDB579
  Mrv2015 05262115463D          

 14 15  0  0  0  0            999 V2000
   -2.4442   -3.6820    1.3535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0037   -2.6938    0.2270 S   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3454   -3.2614   -1.2289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1822   -1.4612    0.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1546   -0.3350    0.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1291   -1.2360    0.1654 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7951   -1.0744   -0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2019   -2.1340   -0.4621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0140    0.1348   -0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5720    1.4391   -0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2333    2.5930   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6271    2.4760   -0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2134    1.2027    0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0534    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
M  END
$$$$
COVPDB57
  Mrv2015 05262115573D          

 38 42  0  0  1  0            999 V2000
    4.5077    0.7370  -11.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1663    1.4648  -11.3995 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0321    0.4687  -11.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3959    2.5726  -10.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7698    3.8536  -10.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0323    4.9119   -9.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9472    4.7180   -8.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5497    3.4512   -8.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3009    2.3894   -9.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2593    5.7614   -7.7816 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0238    5.7227   -6.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0660    6.7790   -5.9771 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781    4.6053   -6.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6256    3.9032   -7.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3099    2.7498   -6.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1713    2.2911   -5.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3757    3.0054   -4.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6826    4.1584   -4.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2692    2.5589   -3.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8880    1.3163   -2.7343 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8809    1.1973   -1.4346 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2615    2.3718   -0.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5244    3.2632   -1.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3983    2.7397    0.4044 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8077    3.9999    0.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0869    4.8858   -0.2887 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9672    4.5634   -1.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2936    5.4810   -2.5335 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4898    0.0204   -0.6999 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9251   -1.3052   -1.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4884   -2.4804   -0.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9519   -2.4878   -0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2660   -1.2058   -0.1423 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9567    0.0482   -0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8866   -1.2066    0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3060   -2.3077    0.3056 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0806   -0.0608    0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2601   -0.0456    0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 17 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 19 23  4  0  0  0  0
 22 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 23 27  4  0  0  0  0
 27 28  1  0  0  0  0
 21 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 29 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
$$$$
COVPDB580
  Mrv2015 05262115563D          

 15 15  0  0  0  0            999 V2000
   -1.0776   -4.3660    2.9774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4626   -2.9666    2.8962 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1904   -2.1954    4.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1480   -2.2911    1.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3057   -0.8273    1.4943 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0322   -0.0294   -0.0566 S   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1135   -0.5502   -1.1191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2370    1.5479    0.1489 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6644   -0.3528   -0.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8747    0.2866   -1.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3826    1.6029   -2.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5715    2.2088   -3.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540    1.5079   -4.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7507    0.1973   -4.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5609   -0.4094   -3.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
M  END
$$$$
COVPDB581
  Mrv2015 05262115533D          

 18 18  0  0  0  0            999 V2000
   -1.0606   -4.3884    2.9793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4937   -2.9677    2.8978 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1754   -2.2156    4.1920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1640   -2.2855    1.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3249   -0.8208    1.5088 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0391   -0.0302   -0.0404 S   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1139   -0.5571   -1.1058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2258    1.5493    0.1580 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6589   -0.3698   -0.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8767    0.2656   -1.9617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3827    1.5799   -2.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5675    2.1913   -3.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2596    1.5069   -4.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7513    0.1890   -4.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5655   -0.4217   -3.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4579    2.1228   -5.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9474    3.3811   -5.8840 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1946    1.5353   -6.8517 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
$$$$
COVPDB582
  Mrv2015 05262115533D          

 25 26  0  0  1  0            999 V2000
   -3.3363   -0.8462   -1.1683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8796   -1.6020    0.0799 B   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2127   -3.0909    0.2072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0801   -0.8123    1.2895 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6607    0.6145    1.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0678    1.3105    2.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8073    1.9436    2.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2487    2.5942    3.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9520    2.6367    4.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2170    2.0174    5.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7546    1.3508    3.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9189    2.0723    6.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4067    2.7025    7.3826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0466    1.5461    6.4430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6072   -0.8777    1.1244 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0948   -0.3430   -0.4056 S   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1291   -1.4753   -1.5179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5599    1.0306   -0.9088 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8926   -0.0971   -0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4623    0.6387   -1.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6950    2.0330   -1.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1402    2.7465   -2.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3765    2.0720   -3.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1843    0.6803   -3.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7332   -0.0324   -2.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
M  END
$$$$
COVPDB583
  Mrv2015 05262116083D          

 15 15  0  0  0  0            999 V2000
    0.9117   -3.2673   -3.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9225   -2.6821   -1.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8495   -1.4393   -1.7750 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8727   -0.9518   -0.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8336    0.2329   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4550   -0.3734   -2.6602 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2059    0.1581   -3.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4748    1.1612   -4.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2647    1.1658   -3.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3019    0.2262   -2.6253 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8852    1.9765   -5.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0314    1.8036   -5.8318 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0347    3.0272   -5.9643 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7064    3.9860   -5.0372 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1181    2.4846   -6.4776 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  6 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
$$$$
COVPDB584
  Mrv2015 05262115453D          

 52 56  0  0  1  0            999 V2000
   -9.4361    6.0115   -5.3476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7505    6.6722   -6.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0275    6.0023   -7.5078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7586    8.1497   -6.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3775    8.7738   -6.1551 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.4665   10.1970   -6.2284 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9470   11.1659   -5.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1399   12.3167   -5.8464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2660   11.0862   -4.0566 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2589    9.9295   -3.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3617   10.1541   -2.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4872    8.9071   -2.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7271    8.9620   -0.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1911    7.6672   -0.6045 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4840    7.2974    0.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2025    8.1576    1.3654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1407    5.9293    0.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8139    5.4462    1.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5819    4.0779    2.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6908    3.1493    1.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5225    1.8408    1.4809 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2405    0.7694    1.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0686   -0.4545    1.7306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8373   -1.5196    1.3919 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7695   -1.4613    0.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5754   -2.5734    0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5189   -2.4823   -0.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6636   -1.2830   -1.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8724   -0.1616   -1.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9290   -0.2458   -0.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1616    0.8177    0.0491 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9612    3.6233   -0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1604    4.9979   -0.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3043   11.1846   -3.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   12.2852   -2.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5870   12.1283   -1.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2310   10.8901   -1.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4665    9.9487   -2.5437 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2751    8.3520   -7.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2832    7.7643   -6.5775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3057    8.6294   -8.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0246    8.4322   -9.1689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0715    8.7027  -10.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8624   10.0160  -10.9997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5978   10.9824  -10.1619 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9466   10.2905  -12.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7805   11.5060  -12.8321 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2184    9.2486  -13.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4101    7.9350  -12.8193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6655    6.9795  -13.6734 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3317    7.6624  -11.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5080    6.4432  -11.0047 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 30 31  4  0  0  0  0
 22 31  4  0  0  0  0
 20 32  4  0  0  0  0
 32 33  4  0  0  0  0
 17 33  4  0  0  0  0
  9 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 34 38  4  0  0  0  0
  5 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  4  0  0  0  0
 44 45  1  0  0  0  0
 44 46  4  0  0  0  0
 46 47  1  0  0  0  0
 46 48  4  0  0  0  0
 48 49  4  0  0  0  0
 49 50  1  0  0  0  0
 49 51  4  0  0  0  0
 43 51  4  0  0  0  0
 51 52  1  0  0  0  0
M  END
$$$$
COVPDB585
  Mrv2015 05262116113D          

  7  6  0  0  0  0            999 V2000
   -2.1976    1.6709    0.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0866    1.9926   -0.5700 N   0  3  1  0  0  0  0  0  0  0  0  0
   -1.6645    2.8307   -1.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0200    2.8075    0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4967    0.7179   -1.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1090   -0.2311   -0.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3277   -0.1844    0.0905 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
M  CHG  1   2   1
M  END
$$$$
COVPDB586
  Mrv2015 05262115523D          

 14 15  0  0  1  0            999 V2000
    1.4489   -0.8943    0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1153    0.0036    0.0327 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5806    0.6261   -0.0217 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0695    1.4261    1.2188 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4840    2.7899    1.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7359    3.6258    0.1396 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7539    3.2118    2.0980 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6302    1.4491    1.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1627    2.1708    2.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3887    1.4911    3.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8316    2.1883    4.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0528    3.5758    4.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8569    4.2597    3.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4234    3.5614    2.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
M  CHG  1   6  -1
M  END
$$$$
COVPDB587
  Mrv2015 05262116023D          

  6  5  0  0  1  0            999 V2000
   -1.7011    2.8809    1.8229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1246    2.0177    0.6761 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1692    1.7538   -0.2611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5068    0.6895    1.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0705   -0.1200    0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2644    0.0175   -0.2417 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
M  END
$$$$
COVPDB588
  Mrv2015 05262115463D          

  7  6  0  0  1  0            999 V2000
    0.7042   -0.6538   -0.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.3929    0.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8567    1.5426    0.1198 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0173    2.6343    1.4962 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4485    2.3374   -1.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    3.0194   -1.0719 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1724    2.3868   -2.0794 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  CHG  1   6  -1
M  END
$$$$
COVPDB589
  Mrv2015 05262115443D          

  6  5  0  0  0  0            999 V2000
    0.6889   -0.8309   -0.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3339    0.4938   -0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8522    0.9642    1.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5525    2.1967    1.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4979    2.1528    2.5205 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3062    3.2914    0.9965 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
M  END
$$$$
COVPDB58
  Mrv2015 05262115583D          

 22 21  0  0  1  0            999 V2000
    0.2928   -5.5915    8.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8694   -4.8067    7.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4905   -3.3441    7.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6596   -2.5572    6.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2709   -1.0957    6.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4273   -0.2935    5.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0157    1.1642    5.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1649    1.9783    4.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7538    3.4391    4.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9197    4.2516    3.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5336    5.7230    3.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7189    6.5293    2.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3360    7.9901    2.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5289    8.7618    1.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1429   10.1680    1.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2649   10.8018    0.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2253   11.2436    1.1701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3410   10.8802   -0.9927 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1293    9.5058   -1.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4082   11.9127   -1.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0647   11.7714   -1.4046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8450   12.9536   -2.0474 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
$$$$
COVPDB590
  Mrv2015 05262116003D          

  7  6  0  0  0  0            999 V2000
   -2.0198    1.3426    1.6123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0507    1.1760    0.4359 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2124    2.0786   -0.7920 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0700   -0.0349    0.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4162   -1.2617    1.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5986   -2.4369    1.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0755   -3.6355    2.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
$$$$
COVPDB591
  Mrv2015 05262115463D          

 43 44  0  0  1  0            999 V2000
    5.7342   -6.5497   -2.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440   -6.3730   -4.0236 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8667   -6.8075   -5.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3940   -4.9109   -4.1989 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5764   -4.4963   -3.0754 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8371   -3.4415   -2.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8262   -2.6975   -2.4372 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9933   -3.1340   -1.0389 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9893   -4.2968    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869   -4.5203    0.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8761   -3.5428    1.3942 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8531   -5.6351    0.6373 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -2.8006   -1.4342 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7392   -2.1025   -0.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3907   -1.9936   -1.2181 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288   -1.5514    0.5244 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.7490    1.3917 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4723   -1.6113    2.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7130    0.2371    0.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2737    1.5624    0.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1246    2.5166   -0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4359    2.1642   -0.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5687    3.4423   -1.2164 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8877    0.8494   -0.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0349   -0.1005    0.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6916   -4.5184   -5.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7953   -3.3102   -5.7851 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9318   -5.1956   -6.3886 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -6.5525   -6.4943 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9299   -6.5538   -6.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2753   -7.9554   -6.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2661   -7.8759   -6.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8180   -9.1685   -6.9861 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0823   -9.4155   -7.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9869   -8.4720   -7.4787 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450  -10.6276   -7.4877 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0753   -7.1924   -7.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7096   -8.2632   -7.5578 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9683   -6.6970   -9.1173 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6689   -6.2524   -9.5180 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5087   -5.0065   -9.9685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6013   -4.2444  -10.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9348   -5.1706   -9.4388 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  1  0  0  0  0
 22 24  4  0  0  0  0
 24 25  4  0  0  0  0
 19 25  4  0  0  0  0
  4 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 29 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 39 43  1  0  0  0  0
M  END
$$$$
COVPDB592
  Mrv2015 05262116093D          

 30 33  0  0  0  0            999 V2000
   -0.5481   -0.3745   -4.3016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0243    0.0195   -4.1631 B   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1039   -0.9631   -4.6204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3987    1.5088   -3.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8437    2.5247   -4.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0901    3.8780   -4.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9226    4.2288   -3.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5064    3.2245   -2.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2465    1.8508   -2.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8624    0.8320   -1.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9421    0.2630   -0.7274 N   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5828   -0.8393    0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5754   -1.9688    0.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5804   -1.6271    1.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7420   -0.4253    1.2872 N   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4443    0.8849    1.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2387    1.3159    0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5676   -0.5712    0.0921 S   0  0  2  0  0  0  0  0  0  0  0  0
    1.7082    0.4611    0.5544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0854   -0.0746   -1.3518 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2605   -2.2174    0.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0232   -2.5006    1.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6314   -3.7489    1.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5043   -4.7424    0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7468   -4.4984   -0.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6231   -5.5078   -1.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8832   -5.2892   -2.7749 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2348   -4.1219   -2.9904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3223   -3.0857   -2.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0992   -3.2359   -0.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 21 30  4  0  0  0  0
 25 30  4  0  0  0  0
M  END
$$$$
COVPDB593
  Mrv2015 05262116103D          

 18 18  0  0  1  0            999 V2000
   -3.0886    2.9925    0.5047 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5053    4.0409   -0.8509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3485    3.3881   -1.6683 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2571    4.0145   -3.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0633    3.4207   -0.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0543    2.6641    0.0844 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9697    4.2435   -1.2664 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2339    4.3155   -0.6016 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8532    5.8194   -0.8655 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.6256    6.5163    0.2568 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8971    6.3956   -2.2851 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1923    3.2134   -1.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4362    3.0466   -0.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3663    2.5022    0.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5333    2.3043    1.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7879    2.6370    1.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8741    3.1903   -0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7052    3.3956   -0.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
M  END
$$$$
COVPDB594
  Mrv2015 05262115593D          

 14 14  0  0  0  0            999 V2000
   -5.6455   -1.6960    4.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1626   -0.9938    3.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1308    0.4190    3.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6731    1.0854    2.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2422    0.3521    1.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2608   -1.0557    1.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7058   -1.7234    2.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6309    1.1806   -0.0557 S   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1720    0.4369   -1.3741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1652    2.6960   -0.0943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8838    1.1761   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1907    0.0276   -0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0784   -0.0116   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2258   -0.0519    0.0138 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  3  0  0  0  0
M  END
$$$$
COVPDB595
  Mrv2015 05262116103D          

 38 41  0  0  0  0            999 V2000
    5.5465   -6.7246   -1.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8151   -7.1286   -0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3740   -8.3690   -0.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6107   -8.7991   -0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2943   -8.0116    0.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7386   -6.7958    1.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4589   -6.0944    2.0192 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0177   -5.7091    3.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8998   -6.1071    3.6717 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7479   -4.8803    4.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1102   -4.7316    3.9561 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5049   -6.3350    0.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0790   -5.0943    0.9287 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -4.8314    1.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0334   -3.6102    2.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9888   -3.3741    3.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0094   -4.3044    3.5395 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0210   -5.4675    2.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0388   -5.7254    1.9859 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9157   -2.2063    4.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5403   -2.1974    5.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4016   -1.0895    6.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6134   -0.0068    5.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0365   -0.0377    4.6674 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1795   -1.0614    3.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6184   -1.0304    2.5344 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7094   -0.1607    1.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7610    1.2619    2.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1126    2.1053    2.6611 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6914    2.0408    1.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6727    3.4084    1.6953 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8559    3.8544    2.7956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6407    1.4162    0.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6218    0.0222    0.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6571   -0.7670    1.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6019   -2.4510    0.9906 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3915   -0.5367   -0.0343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5438   -0.8769    0.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 12  4  0  0  0  0
  2 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 16 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  1  0  0  0  0
 28 30  4  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 27 35  4  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
$$$$
COVPDB596
  Mrv2015 05262115563D          

 12 13  0  0  0  0            999 V2000
   -4.8659    1.1512    0.8399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9709    1.1761   -0.3999 B   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6053    1.1261   -1.7926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4112    1.0867   -0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5903    2.0093    0.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3802   -0.2052   -0.8246 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1114    0.4789   -0.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2183    1.6826    0.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4299    0.0035   -0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4539    0.7724    0.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1458    1.9843    0.9614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8126    2.4424    1.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  5  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
M  END
$$$$
COVPDB597
  Mrv2015 05262116083D          

 27 29  0  0  0  0            999 V2000
    0.4182   -3.2445   -5.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9800   -3.3928   -7.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2328   -3.9888   -8.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0757   -4.4367   -7.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6382   -4.2906   -6.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8990   -3.6906   -5.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4523   -3.5364   -4.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7883   -3.0554   -3.1427 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6473   -3.0578   -2.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8335   -3.5377   -2.5505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7070   -3.8311   -3.8153 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3530   -2.6083   -0.7402 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0238   -1.2693   -0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -0.7506   -0.2378 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0238   -1.9312   -0.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2607    0.5084    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0731    1.4180    0.2865 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0826    0.7466   -0.0780 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8228    1.9779    0.0287 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5966    2.8812   -1.2262 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8633    2.2066   -2.3926 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3788    4.0102   -1.2034 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2967    3.3181   -1.2913 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3085    1.5730    0.2734 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3971    0.7698    1.3874 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1097    2.6672    0.4981 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8298    0.8645   -0.7836 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
$$$$
COVPDB598
  Mrv2015 05262115593D          

 28 28  0  0  1  0            999 V2000
   -5.7502  -23.4342    5.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7671  -22.3098    4.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4583  -21.1495    3.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4756  -20.0155    3.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1604  -18.8509    2.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1584  -17.7313    2.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8237  -16.5704    1.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8152  -15.4663    1.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5043  -14.3266    0.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5347  -13.1997   -0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2904  -12.0392   -0.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2848  -10.7267   -1.3419 P   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2868  -11.1765   -2.3257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1471   -9.5468   -2.0117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3268   -9.1329   -1.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9117   -7.8467   -1.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0779   -7.2497   -1.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7540   -6.0356   -1.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5539  -10.1481   -0.0359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6231   -9.1879   -0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2842   -9.5494   -0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6645   -8.5677   -0.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3147   -7.1935   -0.9816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2200   -6.2583   -1.3274 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9265   -5.0271   -1.4390 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3408   -6.5040   -1.5488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0267   -6.8466   -0.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9794   -7.8245   -0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 23 27  4  0  0  0  0
 27 28  4  0  0  0  0
 20 28  4  0  0  0  0
M  CHG  2  24   1  25  -1
M  END
$$$$
COVPDB599
  Mrv2015 05262116083D          

 27 28  0  0  1  0            999 V2000
    2.2803   -2.8378    5.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5256   -2.6489    5.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4973   -1.0592    4.3169 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8610   -0.6743    4.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3619   -1.7678    5.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0347   -1.8265    6.0632 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3812   -0.6426    7.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9331   -1.8447    4.9466 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -2.8676    4.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4753   -3.9592    4.2532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8129   -2.6256    2.7729 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1774   -3.9103    1.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6747   -3.6727    2.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3345   -2.4077    3.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966   -1.5275    1.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2005   -0.8934    2.3767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7261   -1.1678    0.7365 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3523   -0.0396   -0.0735 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0109   -0.0547   -0.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1102   -0.0648   -0.6373 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8007    1.3077    0.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3461    1.4744    0.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7646    2.6668    1.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1142    3.0523    1.3213 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8317    3.8776    2.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3646    4.3737    3.1744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0906    4.1776    1.7733 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  3  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
$$$$
COVPDB59
  Mrv2015 05262115583D          

 24 23  0  0  0  0            999 V2000
   -8.2584   27.1925   10.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4073   26.3185    9.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0404   24.9276    8.9163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1834   24.0480    7.9602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8162   22.6548    7.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9666   21.7668    6.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6096   20.3772    6.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7652   19.4846    5.4943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4157   18.0980    5.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5721   17.2108    4.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2221   15.8274    3.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3797   14.9523    3.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0324   13.5803    2.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1488   12.7035    1.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8115   11.3484    1.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9165   10.4495    0.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0330   10.4091   -0.6743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8819    9.6110    1.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4656    8.5399    2.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4239    8.6605    3.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0800    7.3188    1.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5334    7.4823    1.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0309    7.9538    0.1492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3382    7.1910    2.2297 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
$$$$
COVPDB5
  Mrv2015 05262115543D          

 44 45  0  0  1  0            999 V2000
    1.9197    0.4874   -8.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    0.1282   -9.1490 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2347   -1.4038   -9.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5059    0.7527   -8.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0550    0.7405   -8.2798 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7862   -0.4581   -7.9773 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0356   -1.1179   -6.8006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0286   -1.8753   -6.9035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3765   -1.0830   -5.4543 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2016    0.3201   -4.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0137    0.1260   -3.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1691   -0.9596   -4.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0939   -1.7476   -5.3380 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7346   -3.0418   -5.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4916   -3.2873   -5.8447 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6259   -4.2420   -5.8887 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6247   -4.1475   -4.8630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6803   -4.8720   -3.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9870   -5.9046   -3.5421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4715   -4.3671   -2.5540 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9450   -3.9892   -2.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7196   -3.5477   -1.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2324   -3.4842   -1.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0411   -4.4610   -1.6179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8464   -2.3040   -2.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2390   -1.2850   -2.4501 N   0  3  0  0  0  0  0  0  0  0  0  0
   -6.6610   -0.3134   -2.7193 N   0  5  0  0  0  0  0  0  0  0  0  0
   -2.7433   -3.2243   -2.0743 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9620   -3.1551   -0.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8548   -4.1070   -0.1536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2677   -1.9955   -0.7864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3676   -1.6614    0.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2164   -0.3191    0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6309    0.8068   -0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0996    2.0852   -0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2902    2.2602   -0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1472    1.1544   -0.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6142   -0.1260   -0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1692   -4.5358   -7.3337 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0642   -5.1165   -8.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3967   -5.4958   -7.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4540    1.1807   -9.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9744    2.4145   -9.8392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3488    0.4296  -10.6369 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  2  0  0  0  0
 20 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 33 38  4  0  0  0  0
 16 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
  5 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
M  CHG  2  26   1  27  -1
M  END
$$$$
COVPDB600
  Mrv2015 05262115463D          

 40 41  0  0  1  0            999 V2000
   -1.4610    6.1691    8.9186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8555    5.1641    8.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8933    3.8440    8.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3030    2.7913    7.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6683    3.0418    6.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6414    4.3764    5.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2313    5.4290    6.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0463    1.9346    5.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9306    1.6668    4.4194 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6986    1.0601    5.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3900    1.6718    4.8843 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7059   -0.2415    5.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5595   -0.6798    6.0472 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3545    0.8248    3.3437 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2905    1.1526    2.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9049    2.2456    2.4063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5488    0.2225    1.2543 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5938   -1.2677    1.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9865   -2.3190    0.6263 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.4954   -2.2555    0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6070   -3.7481    1.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4782    0.4466    0.3279 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5744    0.7441   -0.9995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7018    0.8438   -1.5416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3656    0.9601   -1.8462 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0047    0.5288   -1.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2053   -0.9797   -0.8475 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5530   -1.1731   -0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1202   -1.9340   -2.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4316    2.3054   -2.3693 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662    3.4046   -2.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2729    3.3977   -1.2604 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8584    4.6026   -2.7100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8990    4.9890   -3.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6440    6.3303   -4.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7220    7.1821   -4.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4859    8.4387   -5.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1700    8.8664   -5.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0897    8.0311   -5.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3236    6.7718   -4.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 35 40  4  0  0  0  0
M  END
$$$$
COVPDB601
  Mrv2015 05262115543D          

 37 39  0  0  1  0            999 V2000
    1.8319    2.5756    0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3226    3.1161    1.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7362    2.3708    2.4939 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2943    2.3707    2.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2533    1.8586    1.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3826    2.5494   -0.0018 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3554    3.1451   -1.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6084    3.0626   -0.9824 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2060    3.8412   -2.0664 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5315    4.5326   -3.0896 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2316    5.7411   -3.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9179    6.7366   -2.7347 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9169    7.6761   -3.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1013    7.5851   -1.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0733    3.5285   -4.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3147    3.3576   -4.0798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4068    2.7170   -4.9366 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9653    2.7437   -5.3538 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0030    3.4749   -6.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2259    2.7464   -7.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0087    3.6151   -9.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1040    4.4897   -9.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3201    5.3125  -10.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4257    5.2763  -11.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    4.4156  -11.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9031    3.5891  -10.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5334    1.4056   -5.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8575    1.1880   -5.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5085   -0.3902   -5.8873 S   0  0  2  0  0  0  0  0  0  0  0  0
    3.0413   -1.4478   -4.7718 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1135   -0.3173   -5.8630 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9687   -0.8923   -7.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1816   -0.0410   -8.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7236   -0.4120   -9.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0503   -1.6348  -10.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8445   -2.4905   -8.9743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2995   -2.1198   -7.6957 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 18 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 32 37  4  0  0  0  0
M  END
$$$$
COVPDB602
  Mrv2015 05262115473D          

 12 12  0  0  0  0            999 V2000
    5.8625   -3.4848    3.4171 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6499   -2.5453    2.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5617   -2.3106    1.6420 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3770   -1.7994    2.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1653   -2.7207    2.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8227   -1.9378    2.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5902   -2.7774    1.8221 N   0  0  2  0  0  0  0  0  0  0  0  0
    0.5584   -3.5242    0.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6947   -4.4289    0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9979   -3.6229    0.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486   -2.8627    1.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6689   -1.9903    2.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$
COVPDB603
  Mrv2015 05262115473D          

 32 34  0  0  1  0            999 V2000
    7.0378    2.8011    0.4445 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9053    2.1756    0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7686    2.8800   -0.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5394    2.2099   -0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4227    0.8252   -0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5891    0.1257    0.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8163    0.7964    0.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0889    0.1391   -0.1038 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0034   -0.8454   -1.3093 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8361   -1.9298   -1.1650 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3288   -0.2153   -2.4887 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7220   -1.3267   -1.4472 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7440   -0.5832    1.1621 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4454    0.1612    2.4237 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2280    1.0051    2.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3821    2.2141    1.9717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0806    0.6276    2.3682 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6824   -0.6529    2.6133 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0692   -1.6526    3.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5640   -2.4965    3.9238 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1971   -0.5467    2.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7181   -1.0933    1.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6846    0.8897    3.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4585    1.6177    4.6983 S   0  0  1  0  0  0  0  0  0  0  0  0
    3.8498    2.2726    5.1558 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3691    2.7913    4.6113 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9403    0.4285    5.9060 N   0  0  2  0  0  0  0  0  0  0  0  0
    1.5957    1.1036    7.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1588    0.0650    8.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1591   -0.9602    8.4114 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4526   -1.6566    7.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9343   -0.6693    6.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  3  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
$$$$
COVPDB604
  Mrv2015 05262116093D          

 32 35  0  0  1  0            999 V2000
    1.0925   -4.4753    2.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9124   -5.8170    2.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3364   -6.4376    2.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4045   -5.7212    2.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2292   -4.3788    3.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0248   -3.7471    3.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2867   -3.6874    3.8833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5011   -3.9434    5.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5213   -3.0290    5.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8110   -3.1076    5.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7924   -2.0831    5.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9156   -0.9249    4.8697 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8927   -0.6638    3.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9337   -1.2926    2.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8799   -1.1304    1.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -0.3159    2.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541    0.3511    3.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8075    0.1838    4.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7475    0.9907    5.7940 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6262   -0.2167    1.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6367   -1.4044    1.3612 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0421   -1.3472    2.6653 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2302   -2.3945    3.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7354   -2.1332    4.6035 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -1.3985    0.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4868   -2.3348   -0.4901 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3732   -0.4041    0.3238 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4394   -0.3216   -0.6223 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5363   -1.1240   -0.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4527   -1.7985   -0.2859 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0425   -0.0026   -2.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7173    1.0709   -1.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  6 23  1  0  0  0  0
 23 24  2  0  0  0  0
 21 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  3  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 28 32  1  0  0  0  0
M  END
$$$$
COVPDB605
  Mrv2015 05262116093D          

 34 36  0  0  1  0            999 V2000
   -4.4641   -4.6699    0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6595   -4.9621   -1.0844 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7205   -4.0360   -2.2480 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9555   -4.3292   -3.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5858   -2.5920   -1.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5295   -1.9976   -2.2406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5908   -1.9216   -1.2759 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5640   -0.5344   -0.8811 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9828   -0.0872   -0.3873 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4546   -0.7805    0.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8617   -1.0505    0.9097 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8362   -0.3977    1.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5445    0.5496    2.3713 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1519   -0.7978    1.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2114   -0.2454    2.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1906    1.4684   -0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1802    2.3121    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7201    2.2454   -0.1016 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8649    3.2834    0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7753    2.7914    0.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7693    1.3587    0.9546 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0300    1.0589    0.3270 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4694   -0.2253    0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9007   -1.1863    0.6562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5480    0.7810    2.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3046    1.1272    3.2471 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5811   -0.1200    2.6496 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3464   -0.8030    1.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3563    0.0688    1.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5113    0.0780   -0.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552    0.9182   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733    1.7482   -0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1499    1.7346    1.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1938    0.9057    1.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  2  0  0  0  0
 21 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
M  END
$$$$
COVPDB606
  Mrv2015 05262115453D          

 14 15  0  0  1  0            999 V2000
    0.6004    1.0354   -0.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0233   -0.0487    0.0851 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4355    0.1540    0.2415 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3186   -0.9498   -0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282   -2.0152    0.5941 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2539   -3.1272    0.1895 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3330   -4.1325    1.3721 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9620   -3.5169    2.4960 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1127   -5.4094    0.9521 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0565   -6.3815    1.9945 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5308   -6.0060   -0.3577 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4253   -4.9115   -1.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6814   -3.7716   -0.9750 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3480   -7.0817   -0.8143 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
$$$$
COVPDB607
  Mrv2015 05262115413D          

 30 32  0  0  1  0            999 V2000
    4.2826   -4.9151   -1.9264 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3501   -4.8346   -1.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7001   -5.9553   -0.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9821   -7.1556   -0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9193   -7.2400   -1.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5563   -6.1190   -2.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314   -6.1870   -3.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1433   -5.4455   -2.5786 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4791   -6.0580   -1.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6013   -7.3026   -1.2605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -5.3554   -0.4451 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7126   -5.9793    0.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6520   -3.9681   -0.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1761   -5.4447   -3.6379 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1509   -4.4113   -4.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0538   -4.6354   -5.2999 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5017   -3.0868   -4.4315 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0201   -2.1462   -5.4036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3141   -1.8717   -4.0373 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3861   -0.7381   -3.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5548    0.3049   -4.0911 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7996   -0.8345   -2.1256 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4223    0.2201   -1.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7081   -0.2148    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1578    0.9266    0.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2833    1.6023    1.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7564    2.7030    2.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0923    3.1169    2.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9342    2.4132    1.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4446    1.3599    0.8001 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
M  END
$$$$
COVPDB608
  Mrv2015 05262115443D          

 32 34  0  0  1  0            999 V2000
   -4.4805   -4.9704   -2.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8249   -5.0500   -3.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9513   -5.9235   -3.8196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7540   -7.2556   -3.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4233   -7.2125   -1.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3002   -6.3159   -1.5671 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1391   -6.7362   -0.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0090   -7.9395   -0.6006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1025   -5.8870   -0.6481 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8845   -6.2256    0.0300 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3038   -5.2607   -0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5030   -4.8950   -1.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5813   -5.4250   -2.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7582   -5.0781   -3.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8748   -4.1772   -4.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1855   -3.6209   -3.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3633   -3.9731   -2.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1936   -6.4272    1.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2376   -7.6135    1.8825 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949   -5.5340    2.4779 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966   -4.1030    2.5556 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7108   -3.7504    3.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8904   -3.1405    4.6833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3247   -3.2806    1.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9217   -1.4978    1.6629 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7457   -1.2683    0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0652    0.0505    0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3486    0.1484    0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9825    1.4045    0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.5802    0.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    2.5006    0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241    1.2443    0.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 10 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
M  END
$$$$
COVPDB609
  Mrv2015 05262116083D          

 12 11  0  0  1  0            999 V2000
   -3.1643    1.7703    1.3076 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4595    1.3808    0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0783    0.9682   -0.7716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1072    1.4507    0.3000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    1.0951   -0.7431 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2838   -0.3729   -0.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0171   -0.9398   -1.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3969   -1.0926   -2.8618 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2064   -1.3152   -1.5588 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8857    2.1147   -0.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1735    1.8117   -0.4367 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6143    3.3130   -0.9722 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
$$$$
COVPDB60
  Mrv2015 05262115453D          

 16 17  0  0  1  0            999 V2000
    0.8711   -2.9499   -7.4189 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5204   -3.5226   -6.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6434   -4.0769   -6.6836 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9698   -3.5350   -5.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1190   -2.1816   -4.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5106   -2.2494   -2.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4646   -0.8701   -2.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003   -0.9640   -0.7082 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5120   -1.1402   -0.4159 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5883   -1.8374   -1.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8927   -1.2022   -0.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4807    0.0889    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0363    0.2973   -0.3988 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0067    0.9283    0.3485 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1708    0.3166    0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2838    0.7834    0.3536 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
$$$$
COVPDB610
  Mrv2015 05262116093D          

 42 47  0  0  0  0            999 V2000
   -4.0807    7.4185    1.2356 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0141    7.0157    0.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6121    5.6694    0.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4569    5.2413    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7078    6.1479   -0.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1140    7.4957   -0.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2589    7.9287   -0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3913    5.6828   -1.4337 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4257    5.5272   -2.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    6.5282   -3.4943 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1317    4.2496   -3.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1636    3.0948   -2.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2933    1.8096   -2.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7580    1.7695   -4.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6989    2.8498   -5.0913 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2534    4.0637   -4.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2282    5.0628   -5.6277 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9408    4.9688   -6.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3217    0.6823   -2.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1510    0.9235   -0.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4995   -0.6039   -2.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6501   -1.6910   -1.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5032   -1.4614   -0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483   -0.2418    0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5825   -2.3530    0.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2788   -1.4301    1.9566 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1128   -0.2528    1.5407 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0016   -2.9732   -2.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3292   -3.3529   -3.3562 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6350   -4.6565   -3.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4960   -5.1277   -2.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1011   -4.0830   -1.2931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7456   -6.4924   -1.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1359   -6.6961   -1.0087 N   0  3  1  0  0  0  0  0  0  0  0  0
   -3.4199   -8.1274   -0.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8790   -8.3291   -0.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1904   -7.4449    0.9980 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9268   -6.0144    0.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4743   -5.8058    0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5206   -7.6976    1.6851 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6649   -9.1703    2.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7501   -6.7615    2.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 27  2  0  0  0  0
 22 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 28 32  4  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 34 39  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
M  CHG  1  34   1
M  END
$$$$
COVPDB611
  Mrv2015 05262115453D          

 16 17  0  0  1  0            999 V2000
  -10.2171    5.2131    1.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3807    3.8534    0.7303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2200    4.5412    0.2460 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.8548    4.1411    0.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1803    2.9871    0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8186    2.6000    0.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1662    1.5586   -0.0772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8703    1.1665    0.4359 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2769    0.0263   -0.4397 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0828   -1.1451   -0.3091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054   -0.2902   -0.0374 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2267   -1.1674   -1.0037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9479    1.0004    0.0778 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6720    2.0552    0.9469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9877    2.3138    0.4282 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3275    0.7081    0.6465 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
$$$$
COVPDB612
  Mrv2015 05262115593D          

 35 35  0  0  1  0            999 V2000
    6.0052    8.6784   -1.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2569    8.3840   -2.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5403    7.0068   -2.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264    6.7103   -3.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2149    5.2862   -4.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4691    5.0355   -5.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9102    3.7094   -5.3266 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9343    3.4323   -6.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1486    2.1084   -6.0666 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7090    2.1686   -4.8915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0598    2.3368   -3.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0615    2.2216   -2.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3937    2.5810   -1.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    2.6525    0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6845    3.0238    1.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6404    3.1233    2.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7662    1.7935   -7.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3465    0.4687   -7.2251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1295   -0.0207   -8.5474 P   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7583   -1.3192   -8.2625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3234    1.1342   -8.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1686    0.7979  -10.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1950    1.9305  -10.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0043    1.7277  -11.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0166    2.8712  -12.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0813   -0.1758   -9.7529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1408   -1.1540   -9.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0857   -0.8325   -8.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0508   -1.8189   -8.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8764   -3.1775   -9.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8939   -4.0823   -8.7584 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7819   -5.3016   -9.0876 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8875   -3.8042   -8.2103 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6273   -3.4698   -9.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3811   -2.4714   -9.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 19 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 30 34  4  0  0  0  0
 34 35  4  0  0  0  0
 27 35  4  0  0  0  0
M  CHG  2  31   1  32  -1
M  END
$$$$
COVPDB613
  Mrv2015 05262116053D          

 23 25  0  0  1  0            999 V2000
   -1.9268   -0.8497   -1.5261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3297   -1.4509   -1.5836 B   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5752   -0.5845   -1.3024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7823   -1.2615   -1.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9823   -2.5053   -1.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8239   -3.2682   -2.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5419   -3.0751   -1.6343 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7437   -3.4466   -0.2683 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7763   -3.7857    0.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -4.0511    0.2467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0522   -3.7176    2.0911 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5024   -4.1420    2.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7736   -3.9426    4.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4641   -2.4943    4.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0093   -2.0952    4.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7265   -2.2772    2.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2819   -3.0485   -2.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3585   -2.4179   -1.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1394   -1.2642   -0.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8510   -0.6843   -0.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6696    0.4277    0.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7201    1.0455    0.9653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5384    0.8660    0.6783 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
  5 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
  4 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
$$$$
COVPDB614
  Mrv2015 05262115473D          

 34 36  0  0  1  0            999 V2000
    1.4628    0.1093    0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1529    1.3369    0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4419    2.5418    0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0353    2.5191    0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6557    1.2941    0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0516    0.0789    0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8415   -1.4562    0.1703 S   0  0  1  0  0  0  0  0  0  0  0  0
    0.0996   -2.6760    0.6245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0976   -1.3947    1.1684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4178   -1.7883   -1.3850 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7906   -1.7936   -2.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6204   -1.4614   -2.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4136   -2.1201   -3.6466 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5548   -2.9675   -3.8634 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4490   -4.3837   -3.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4415   -5.4424   -3.7810 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8016   -5.8158   -5.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4582   -6.7266   -2.8932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0913   -7.4163   -3.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8694   -6.3284   -3.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0502   -5.0214   -3.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8595   -2.3227   -3.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1054   -2.1351   -2.3016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9042   -1.9564   -4.3301 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0610   -1.8470   -5.7668 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5133   -2.9079   -6.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0779   -3.7836   -7.0707 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5982   -1.8902   -6.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4817   -0.7999   -5.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8016    0.8621   -5.8074 S   0  0  1  0  0  0  0  0  0  0  0  0
   -7.1232    1.2677   -7.3251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4524    1.9343   -4.8092 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9903    0.7735   -5.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4118   -0.4979   -6.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  3  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 25 34  1  0  0  0  0
M  END
$$$$
COVPDB615
  Mrv2015 05262116093D          

 32 35  0  0  1  0            999 V2000
   -2.3655   -4.4837    2.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2609   -3.4335    2.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9633   -2.7493    1.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0905   -1.5555    2.1725 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7490   -3.0884    0.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8211   -4.0983    0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1408   -4.7904    1.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4705   -2.5332   -0.6418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0167   -1.2609   -1.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7203   -1.3109   -1.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5315   -0.9358   -1.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2526   -0.4392    0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1867   -1.3052    0.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1189   -0.9885    2.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7427   -1.9564    3.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0765   -1.6135    4.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7679   -0.3471    4.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1360    0.6014    4.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1737    0.2872    2.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0757   -3.2613    2.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9137   -3.3653    1.6873 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5558   -4.4349    3.0712 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4117   -4.6584    4.1104 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7117   -5.2868    3.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2013   -5.6037    5.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6622   -6.6877    4.6586 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3216   -5.4541    6.4369 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1204   -4.3709    7.2552 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4639   -4.1079    7.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5861   -3.8835    7.4404 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5701   -4.4124    8.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8869   -3.2791    7.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  1  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 15 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  3  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 28 32  1  0  0  0  0
M  END
$$$$
COVPDB616
  Mrv2015 05262116083D          

 27 29  0  0  0  0            999 V2000
    7.0083   -3.0005   10.7271 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8306   -3.9665   10.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2730   -4.9620   11.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1026   -6.0069   10.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6175   -7.1663   11.8093 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.4789   -6.0588    9.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4800   -7.2866    8.7112 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0286   -5.0611    8.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -3.9938    8.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7920   -2.9666    8.0823 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5444   -3.0078    6.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1819   -1.6850    6.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4314   -0.6748    6.7867 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5937   -1.5165    4.8271 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498   -2.6658    4.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1276   -2.3821    2.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3020   -1.1606    2.2674 N   0  0  1  0  0  0  0  0  0  0  0  0
    5.9995    0.0099    2.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1480   -0.1924    4.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9105   -0.9520    0.8391 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7944    0.1014    0.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0005   -0.9526    0.0971 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9350   -2.0036    0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7223   -0.9862   -0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2637   -2.1054   -0.7226 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9412    0.1549   -0.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3475    0.1555   -0.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  2  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
$$$$
COVPDB617
  Mrv2015 05262116083D          

 24 28  0  0  1  0            999 V2000
   -1.6994    2.7672    1.9877 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2402    1.8458    3.0397 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2371    1.7558    4.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4697    0.5855    4.5495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8569    2.8068    4.8224 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9094    4.1642    4.3539 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2557    4.8826    4.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4758    5.0198    5.4940 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7062    4.0552    6.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5155    2.6263    6.0947 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7005    1.9311    5.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6814    1.3446    5.8572 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2486    2.1039    3.5212 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6778    1.0650    4.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    1.2972    5.0927 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1126    1.1225    3.8792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7361    2.1582    2.7718 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6074    1.9930    1.6532 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8860    3.6053    3.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9335    3.7812    4.5637 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0520    5.1057    5.0854 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2886    2.7387    5.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4608    3.5510    4.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552    1.9315    2.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  3  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 15 22  1  0  0  0  0
 20 23  1  0  0  0  0
 13 23  1  0  0  0  0
 17 24  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
$$$$
COVPDB618
  Mrv2015 05262116083D          

 26 28  0  0  1  0            999 V2000
    0.9801    1.2925    1.5132 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3870    1.2516   -0.1456 S   0  0  2  0  0  0  0  0  0  0  0  0
    2.6416    0.2805   -0.3523 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7534    2.7407   -0.6026 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.7056   -1.1017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8503    0.1568   -0.3426 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9776   -1.2480   -0.0616 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6063   -1.1238    1.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5573   -0.1633    0.8800 N   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8583   -0.5662    0.4203 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5141   -1.4288   -0.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0332   -1.9971   -0.9735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7442   -1.2593    1.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3746   -1.5191    2.5660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -1.5762    0.9920 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8738   -2.2418    1.6935 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0662   -3.5813    1.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2939   -4.2402    0.8039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2108   -4.2393    2.2411 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.2133   -5.7987    2.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4721   -6.4412    2.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7627   -5.7898    2.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7234   -4.3229    2.4010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5733   -3.6692    1.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8814    0.8117    0.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2329    1.9899   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
  9 25  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
$$$$
COVPDB619
  Mrv2015 05262116083D          

 16 17  0  0  1  0            999 V2000
    2.9719    0.7799    3.5616 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2979    1.0455    3.7598 S   0  0  2  0  0  0  0  0  0  0  0  0
    1.0652    2.5267    4.3185 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7298   -0.0259    4.8054 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4525    0.8525    2.2801 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    0.5217    1.2978 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7366    1.4225    0.2814 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0044    0.6425   -0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2735   -0.5854   -0.1931 N   0  0  2  0  0  0  0  0  0  0  0  0
    1.6449   -1.0104   -1.4185 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4927    0.0580   -1.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7868    1.4823   -0.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.0862   -2.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2101   -1.1511   -3.3935 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6190   -0.7443    0.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2099   -1.8027    1.5068 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  3  0  0  0  0
  9 15  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
$$$$
COVPDB61
  Mrv2015 05262115453D          

 27 27  0  0  1  0            999 V2000
    3.4666   -7.6248    4.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0788   -7.9289    4.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8281   -8.7987    5.3810 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7315   -7.1395    3.7216 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9260   -5.3719    4.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1824   -4.6193    3.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0578   -4.1116    4.2592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2291   -4.5171    2.1609 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2812   -3.9252    1.3828 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3117   -5.0108    0.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0440   -5.5993    2.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8658   -6.8968    2.4212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375   -4.9071    2.7633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7013   -3.2691    0.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2055   -3.8491   -0.4643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2395   -2.0157   -0.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1606   -1.0855   -0.5732 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0344    0.1779   -0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9712    0.6731    0.6063 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1585    0.9288   -0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4373    0.3205   -0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6633   -1.3246    0.2869 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6109    1.0959   -0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5356    2.4715   -0.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2892    3.0787   -0.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1052    2.3174   -0.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3394    3.1441   -0.9349 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 21 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 20 26  4  0  0  0  0
 26 27  1  0  0  0  0
M  END
$$$$
COVPDB620
  Mrv2015 05262116083D          

 25 27  0  0  1  0            999 V2000
    1.1370    1.2916    1.2177 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2368    1.4467   -0.4796 S   0  0  2  0  0  0  0  0  0  0  0  0
    2.5384    0.6751   -0.9984 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3224    2.9990   -0.8585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1523    0.7796   -1.2329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9441    0.2310   -0.3440 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9802   -1.1696   -0.0129 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5249   -1.0426    1.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5434   -0.1310    1.0059 N   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8470   -0.5969    0.5902 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5167   -1.4171   -0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0453   -1.9918   -0.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6644   -1.3693    1.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2294   -1.6648    2.7082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9218   -1.7360    1.1971 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7323   -2.4859    1.8948 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8963   -3.8188    1.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1745   -4.3972    0.8124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9528   -4.5667    2.4076 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.0119   -6.0909    2.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8991   -6.2356    0.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7187   -5.0135    0.8044 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3826   -4.1711    1.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9374    0.8652    0.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3270    2.0429    0.1488 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
  9 24  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
$$$$
COVPDB621
  Mrv2015 05262115513D          

 30 32  0  0  0  0            999 V2000
   -1.8231   -0.2197   -6.4829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5574   -1.5454   -6.2682 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8053   -2.8721   -6.4161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1065   -1.5475   -5.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0114   -2.1297   -6.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3845   -2.1577   -6.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8898   -1.6424   -5.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2888   -1.7685   -5.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1254   -2.4169   -5.9215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8369   -1.3187   -4.0436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9614   -1.0567   -4.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3686   -0.5876   -3.2284 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6246   -0.9960   -1.7334 S   0  0  2  0  0  0  0  0  0  0  0  0
   -6.7864   -1.3410   -0.6805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8055    0.2711   -1.1877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5735   -2.4044   -1.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1955   -2.4858   -1.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6019   -3.7242   -2.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4810   -4.6850   -2.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0769   -3.9622   -2.5584 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8841   -4.0629   -1.7394 S   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3765   -5.2035   -2.7499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0270   -2.7308   -2.0082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6885   -4.6188   -0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1068   -3.8979    0.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800   -4.3023    2.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5304   -5.4354    2.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3028   -6.1743    1.7212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759   -5.7725    0.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5898   -0.9818   -4.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
 11 30  4  0  0  0  0
  4 30  4  0  0  0  0
M  END
$$$$
COVPDB622
  Mrv2015 05262115413D          

 13 12  0  0  1  0            999 V2000
   -3.8852    0.4770   -2.2000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1178   -0.5120   -1.4278 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8880   -0.0078    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0101    1.1942    0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5871    2.3041    0.1952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5840    1.1757    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0082    2.2835    0.0474 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1848    0.0211   -0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4050    0.0425   -0.0166 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5664    0.0592    0.0119 N   0  5  0  0  0  0  0  0  0  0  0  0
   -3.8230   -1.8100   -1.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2265   -2.8876   -2.0347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9762   -1.9416   -1.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  CHG  2   9   1  10  -1
M  END
$$$$
COVPDB623
  Mrv2015 05262116023D          

  8  8  0  0  0  0            999 V2000
    1.2757   -0.4375   -0.1145 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0614    0.1245    0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9570   -0.6290    0.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2292   -0.0620    0.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4850    1.2604    0.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4685    2.0156   -0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949    1.4497   -0.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    2.1767   -0.9193 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
M  END
$$$$
COVPDB624
  Mrv2015 05262116133D          

 37 40  0  0  1  0            999 V2000
   -0.1559    0.2681   -0.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3347    0.1619   -0.3516 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1095    1.3916   -0.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4380    0.2477    1.0955 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8533   -0.7274    1.6930 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1221   -1.2896    2.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2111   -0.8862    3.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2467   -0.4489    3.0480 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1942   -1.0147    4.9653 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310   -1.0020    5.8339 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1193   -1.7153    7.2077 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5146   -2.4574    7.6352 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1213   -3.8771    8.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2137   -4.6486    7.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2402   -6.0760    8.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1574   -6.8209    7.7327 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.0857   -7.2567    8.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0105   -7.9413    7.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0457   -8.2027    6.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1460   -7.7754    5.7428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1892   -7.0820    6.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1296   -4.0520    7.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9290   -2.7796    6.7224 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2214   -2.1359    5.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9073   -2.4392    4.5760 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2760   -4.6653    6.6426 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4443   -3.9797    6.6221 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2929   -5.8078    6.1342 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3007   -2.3777    3.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5641   -3.0442    2.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3285   -4.3440    3.1693 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5257   -3.9719    4.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6874   -4.6059    5.8474 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2807   -2.9188    4.4305 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0029   -1.0830   -0.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3740   -1.9614   -1.6633 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1660   -1.3644   -0.4734 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 14 22  2  0  0  0  0
 22 23  1  0  0  0  0
 11 23  1  0  0  0  0
 23 24  1  0  0  0  0
 10 24  1  0  0  0  0
 24 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
  6 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  1  0  0  0  0
 32 34  4  0  0  0  0
 29 34  4  0  0  0  0
  2 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
M  CHG  1  16   1
M  END
$$$$
COVPDB625
  Mrv2015 05262116083D          

 22 22  0  0  0  0            999 V2000
   -0.2372   -0.1862   -0.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2924   -0.1900   -0.2066 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9114    1.1365   -0.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4979   -0.1364    1.2236 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   -1.2004    1.8726 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3469   -1.4462    3.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9218   -2.7275    3.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4117   -2.9263    4.6289 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0617   -3.7815    2.6340 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7043   -5.1447    2.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3687   -5.6463    1.7308 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6808   -4.8883    1.5214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1919   -7.0155    1.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8747   -0.5266    4.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5683    0.6628    3.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0027    1.4363    5.2615 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3021    0.1864    6.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3164    0.1573    7.6059 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7743   -0.7284    5.4232 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0086   -1.3463   -0.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3766   -2.2481   -1.6211 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2317   -1.5209   -0.6231 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 17 19  4  0  0  0  0
 14 19  4  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
$$$$
COVPDB626
  Mrv2015 05262115553D          

 26 28  0  0  1  0            999 V2000
   -4.5188    2.8351    2.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0424    2.3748    2.1366 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1990    2.8124    3.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9673    0.5356    2.0815 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8473    0.3691    0.6556 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3112    0.1172    0.7725 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1501   -0.1383    2.1004 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1439   -0.9475    2.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2823   -0.8810    3.8032 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0485   -1.8897    1.8337 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3470   -1.5685    0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920   -0.3360    0.0836 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2202   -2.3982   -0.5145 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5677   -3.2890    2.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3052   -4.1765    2.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8340   -5.4741    3.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6218   -5.9103    2.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1137   -5.0541    1.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3550   -3.7532    1.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1846    1.5444    0.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7978    2.3179    0.4080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5033    1.7295    0.5120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3533    2.8372    0.7911 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2335    3.1123   -0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2426    4.3410   -0.9429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9787    2.2305   -0.8573 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
$$$$
COVPDB627
  Mrv2015 05262115493D          

 11 12  0  0  1  0            999 V2000
   -0.7877    1.0171    2.1442 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1282    1.6460    2.4732 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7962    0.3007    2.8668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2459    1.7433    1.4022 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2854    0.8136    1.7057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7265    1.5374   -0.0500 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0691    2.7280   -0.4906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7622    0.3240   -0.1685 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4409   -0.8785    0.1981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4932    0.4977    0.7150 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4179    1.4020    0.0917 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$
COVPDB628
  Mrv2015 05262115493D          

 10  9  0  0  0  0            999 V2000
   -0.0630    2.1794    7.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8772    2.0388    5.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6350    2.9829    5.6331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7608    0.8656    5.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6181   -0.3427    5.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4681   -1.6007    4.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525   -2.8559    4.9732 N   0  3  2  0  0  0  0  0  0  0  0  0
   -1.9510   -3.9350    3.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7403   -2.5945    4.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8484   -3.3721    6.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  CHG  1   7   1
M  END
$$$$
COVPDB629
  Mrv2015 05262115583D          

 34 34  0  0  1  0            999 V2000
   10.2830   10.8446   -0.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1691   10.8155   -1.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6427    9.3785   -1.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5151    9.3359   -2.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0980    7.9541   -3.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9520    7.1659   -3.5686 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042    7.5506   -2.8759 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3607    6.1987   -3.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8356    5.9851   -2.8396 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5003    4.4696   -3.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4850    3.9063   -2.2248 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273    2.8775   -1.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7615    2.4094   -1.0631 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4130    2.3390   -0.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6314    1.1029    0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3026    0.3649    0.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5028   -0.8941    1.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5065    6.5367   -1.5421 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9847    6.8546   -1.1116 P   0  0  1  0  0  0  0  0  0  0  0  0
    1.9946    8.0784   -0.2941 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9087    7.0468   -2.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5809    7.2402   -2.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5097    7.3526   -3.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0133    7.3326   -2.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4751    5.6254   -0.2199 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0539    5.5268    1.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3953    5.1339    1.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9294    5.0470    2.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1447    5.3470    3.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6511    5.2892    4.8997 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.9325    5.4215    5.9418 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7853    5.1133    5.1156 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    5.7130    3.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2513    5.7879    2.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 29 33  4  0  0  0  0
 33 34  4  0  0  0  0
 26 34  4  0  0  0  0
M  CHG  2  30   1  31  -1
M  END
$$$$
COVPDB62
  Mrv2015 05262115443D          

 46 48  0  0  1  0            999 V2000
    2.7118   -3.2416    1.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8634   -3.4679    0.0658 S   0  0  2  0  0  0  0  0  0  0  0  0
    1.6683   -5.0390   -0.1982 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7926   -2.8642   -1.0959 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2969   -2.6514    0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9457   -3.2029    0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0364   -2.3186    0.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7294   -1.0093   -0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0118   -0.9708   -0.3259 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6050    0.0758   -0.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1291    1.1482   -0.7382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9377   -0.0235   -0.0296 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8835    1.0235   -0.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2907    0.6491    0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4633    2.0051   -0.0594 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2771    1.2363    0.6727 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0717    1.4521    2.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3766    1.2397    3.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7616   -0.0373    3.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9601   -0.2070    4.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7799    0.9010    4.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4204    2.1813    4.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2501    2.3304    3.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4363    3.5720    4.5598 S   0  0  1  0  0  0  0  0  0  0  0  0
  -14.7060    3.6109    3.5776 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9847    3.4420    6.0621 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5963    5.1174    4.3784 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3663    5.3424    5.1839 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.7044    6.6646    4.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3130    6.6281    3.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8949    7.4518    2.3546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4329    5.8324    2.8596 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6582    5.3842    6.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5604    6.1489    7.0620 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9472    4.5475    7.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2958    5.3847    8.6153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9617    5.4826    8.9125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1273    4.7658    8.3105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5093    6.4336    9.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9714    7.7805    9.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0816    8.3501    8.6554 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.4813    8.7388   10.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5297    8.3831   11.6876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0738    7.0599   11.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5646    6.0811   10.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9898    4.4976   11.1055 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  5  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 28 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  4  0  0  0  0
 40 41  1  0  0  0  0
 40 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 39 45  4  0  0  0  0
 45 46  1  0  0  0  0
M  END
$$$$
COVPDB630
  Mrv2015 05262115533D          

 27 29  0  0  1  0            999 V2000
   -0.9675   -4.0742   -0.5999 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -3.1004   -1.3875 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0000   -3.5779   -2.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1918   -3.2111   -3.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4339   -3.6016   -4.7764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5056   -4.3942   -5.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3151   -4.7669   -4.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0686   -4.3694   -3.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7591   -4.7862   -6.8275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9108   -4.5561   -7.4367 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9019   -5.3978   -7.5560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9430   -1.5689   -1.4130 P   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8059   -0.6088   -2.1180 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4522   -1.7582   -2.1896 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100   -0.6355   -2.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7969    0.4209   -3.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6052    1.5600   -3.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8508    1.6436   -2.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2966    0.5726   -1.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4872   -0.5669   -1.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7189   -1.0917    0.1068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1476    0.1471    0.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1248    0.2125    0.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828    1.4476    1.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1593    2.6377    0.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1376    2.5928    0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7929    1.3581   -0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
M  END
$$$$
COVPDB631
  Mrv2015 05262116073D          

 28 31  0  0  1  0            999 V2000
   -1.9552    3.0598   -1.9953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2773    3.1360   -2.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7150    4.2448   -2.6689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    2.0295   -2.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1257    1.6145   -2.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5090    2.2653   -4.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8921    2.7074   -4.2069 N   0  3  0  0  0  0  0  0  0  0  0  0
   -7.7293    2.2428   -5.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0790    2.6325   -5.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5757    3.5183   -4.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7173    4.0048   -3.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3714    3.5899   -3.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9626    0.4648   -2.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0020   -0.9420   -1.8206 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7225   -0.0971   -0.8246 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9332    0.1892    0.6986 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1971   -0.2308    1.2063 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6168   -0.1448    2.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8872    0.3372    3.3918 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9725   -0.6349    2.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1076   -2.0646    2.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9462   -2.6320    1.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8303   -4.0261    1.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8946   -4.6459    2.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1867   -3.3876    3.1705 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9428    1.5931    0.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1257    2.6610    0.9195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8498    1.3069   -1.0050 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 21 25  4  0  0  0  0
 16 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  4 28  1  0  0  0  0
 15 28  1  0  0  0  0
M  CHG  1   7   1
M  END
$$$$
COVPDB632
  Mrv2015 05262116133D          

 30 32  0  0  1  0            999 V2000
   -7.2489   -7.9524   -4.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4360   -6.8178   -3.2256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5694   -6.8509   -2.2923 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3768   -6.0763   -1.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3001   -6.4970   -0.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8694   -7.6751   -0.5546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6682   -5.6743    0.4023 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6003   -6.0293    1.2786 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1552   -5.9597    0.6968 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9168   -5.6601   -1.0782 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2049   -3.9799   -1.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6260   -3.4308    0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.3658   -0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3325   -1.1194    0.0455 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1929    0.1347   -0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6968    1.2950    0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174    0.3166   -0.2298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0831   -3.7953    1.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0128   -4.7516    1.4199 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2038   -4.8358    2.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8202   -4.0912    2.8139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7158   -3.2311    2.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8648   -3.9253    3.7483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2919   -2.0607    2.7203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1647   -4.9350   -0.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2371   -4.4427   -1.7714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8408   -3.0007   -0.9776 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6802   -3.0620    0.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5452   -2.1864    1.3363 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9351   -4.1636    0.1128 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 12 18  2  0  0  0  0
 18 19  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  2  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  4 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  1  0  0  0  0
 28 30  4  0  0  0  0
 25 30  4  0  0  0  0
M  END
$$$$
COVPDB633
  Mrv2015 05262115423D          

 51 53  0  0  1  0            999 V2000
    0.2224   -0.1761   -3.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897   -0.4275   -1.6506 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2440    0.5208   -0.8632 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2490    1.6688   -0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4687    1.9496   -0.4132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6540    2.6377    0.3580 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9435    2.9187   -0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9870    2.2181    1.6921 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3185    3.0814    2.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3612    4.3171    2.4838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5983    2.6225    4.0812 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3440    1.9054    4.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8665    2.8817    4.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9152    2.4662    5.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9708    1.6656    5.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0393    1.5869    6.2852 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2166    1.8491    7.6742 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2468    3.3393    8.0703 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7116    2.9198    7.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7461    1.9694    7.3834 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2293    3.3139    7.3842 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4195    3.7501    6.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3011    2.9464    6.5154 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6381    5.2082    6.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5349    5.9112    8.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6946    6.1954    8.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5988    6.8717   10.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3418    7.2677   10.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1791    6.9851    9.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750    6.3135    8.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3592    1.5481    6.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0321    1.3788    4.9959 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0854    0.9350    4.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5301   -0.3461    4.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8364    1.3861    3.1318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8640    1.9573    4.1229 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2056    0.7422    4.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3643   -0.1145    5.0038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6503    0.4589    4.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3045    1.4783    5.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8197    1.2499    6.0984 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0129    0.1541    7.0062 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8322   -0.9189    6.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9709   -1.8971    7.9248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4891   -1.0818    5.7792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4218    2.4525    6.7251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0737    2.8266    7.9829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2534    3.1607    6.1115 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1012   -1.7926   -1.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044   -2.6193   -0.6522 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0662   -2.2166   -1.3974 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 20 31  1  0  0  0  0
 16 31  1  0  0  0  0
 31 32  2  0  0  0  0
 15 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 11 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  2  0  0  0  0
 41 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  2  0  0  0  0
  2 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  2  0  0  0  0
M  END
$$$$
COVPDB634
  Mrv2015 05262116113D          

 14 15  0  0  1  0            999 V2000
   -0.4074   -1.0096   -0.4767 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5133   -0.7512   -1.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0608    0.3312   -2.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1444    1.5820   -1.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0158    1.9096   -0.6220 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0050    3.3466   -0.5646 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1170    4.1784    0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7016    4.3044   -1.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7851    4.7570   -1.6252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7452    3.5490   -1.7187 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5930    2.6689   -2.7912 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3940    3.1369   -3.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0370    3.2655   -5.0877 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5641    3.4368   -3.4581 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
$$$$
COVPDB635
  Mrv2015 05262116083D          

 29 31  0  0  1  0            999 V2000
   -8.0039   -6.9613   -4.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9399   -5.9683   -3.5354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9885   -6.2156   -2.7194 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6518   -5.6043   -1.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5336   -6.1574   -0.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0442   -7.2452   -1.3700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9266   -5.5564    0.0935 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7780   -6.0131    0.8219 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3579   -5.9260    0.1702 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1679   -5.4933   -1.5813 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4175   -3.8303   -1.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7653   -3.3914   -0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2358   -2.3252   -0.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3838   -1.0878   -0.0574 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1989    0.1404   -0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5739    1.1902    0.3044 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4162    0.3183   -0.2436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1510   -3.8671    0.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1284   -4.7890    0.9811 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2851   -4.9068    1.6451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8126   -4.2507    2.5722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6394   -3.4719    2.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7952   -4.2525    3.2969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0216   -2.4033    2.4053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3536   -4.4752   -1.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5275   -3.8739   -1.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8355   -2.7860   -0.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8551   -2.7240    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9885   -3.7382   -0.0743 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 12 18  2  0  0  0  0
 18 19  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  2  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  4 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 25 29  4  0  0  0  0
M  END
$$$$
COVPDB636
  Mrv2015 05262116003D          

 44 44  0  0  1  0            999 V2000
   -9.3220   -1.9438   11.9979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8130   -2.9833   11.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5411   -4.0282   11.1220 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7641   -5.0895   10.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3188   -4.6988   10.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3706   -3.1816   11.3175 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.8282   -2.2385   10.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2782   -2.1481    9.9921 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5624   -2.0311   11.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3187   -0.8546   11.8682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6821   -0.7110   13.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4559    0.4480   13.5116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3012   -1.7957   13.8347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6538   -1.7707   15.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3676   -3.2113   15.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7055   -3.2092    9.2065 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8428   -3.3682    7.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6119   -2.6212    7.2017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0380   -4.3753    7.1120 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0807   -5.7930    7.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4123   -6.9346    6.9243 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2521   -7.3494    5.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1003   -8.1735    7.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6978   -3.8625    7.0744 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8796   -3.7595    5.9872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2415   -4.2205    4.8771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5628   -3.0647    6.0565 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2628   -3.2299    7.3880 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2166   -2.3766    8.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4616   -4.7204    7.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178   -1.7120    5.6481 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0981   -0.7492    5.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3284   -0.9496    5.4769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3515    0.5414    4.7647 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5586    1.1722    5.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8830    2.4432    4.9568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6889    0.2492    3.4025 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0521    0.7093    2.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8240    1.6045    2.3509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3924    0.1007    1.1200 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1131    0.2779   -0.2219 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6627    0.1016   -0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3172    1.6723   -0.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5567   -0.8477   -1.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 44  1  0  0  0  0
M  END
$$$$
COVPDB637
  Mrv2015 05262116013D          

 36 37  0  0  1  0            999 V2000
    1.5126    0.0076   -0.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2518   -0.2462    0.2540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3402    0.5181    1.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2259    1.5592    1.6329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5465    0.1492    1.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3268   -0.8475    1.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5539   -1.2618    1.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5897   -1.6315    1.0744 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6554   -2.4257    1.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7697   -2.9204    2.5394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7037   -2.7204    0.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3664   -1.5181    0.0170 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4806   -1.4451   -0.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0427   -2.4813   -1.1948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0160   -0.1115   -1.1323 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.9255    0.6037   -2.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7240   -0.2205   -3.2799 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4387    0.4751    0.1132 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3852    1.7327    0.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8160    1.7605    1.8221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9217    3.0020    0.0117 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.7115    4.1812    1.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9740    5.4017    0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8027    6.5127    1.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6688    6.8294    2.0207 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7185    7.9569    2.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6505    8.4590    3.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8240    9.6539    4.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0556   10.3469    4.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1348    9.8497    3.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9366    8.6580    2.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0068    7.7337    1.7437 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8937    3.3711   -0.9813 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6345    3.8797   -2.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7484    4.1163   -3.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4667    4.1422   -2.5945 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 26 31  4  0  0  0  0
 31 32  4  0  0  0  0
 24 32  4  0  0  0  0
 21 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
M  END
$$$$
COVPDB638
  Mrv2015 05262116013D          

 32 32  0  0  1  0            999 V2000
   -3.9417   -4.0166   -4.8955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7619   -4.9250   -4.4427 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0362   -6.4077   -4.8362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4812   -4.7779   -2.9090 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2443   -3.4091   -2.5395 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1741   -2.9427   -1.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -3.6450   -0.2903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6270   -1.7109   -1.0740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3756   -1.0835    0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4668    0.0682   -0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9574    1.3950   -0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0890    2.4827   -0.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2832    2.2539   -0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7894    0.9414   -0.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9163   -0.1449   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2807   -5.5337   -2.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4177   -6.4790   -1.6521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0532   -5.1095   -2.8841 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2066   -5.4415   -2.2986 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0922   -6.2818   -3.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8297   -4.1682   -1.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0304   -4.0258   -0.6082 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2051   -3.0824   -2.5783 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893   -2.8706   -4.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5996   -1.4636   -4.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1252   -1.3931   -4.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4971   -0.5263   -3.4691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5669   -2.0913   -5.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5950   -2.9643   -4.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5121   -2.3950   -3.8472 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9735   -3.6473   -5.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5795   -2.7609   -6.5988 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
  4 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 24 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
$$$$
COVPDB639
  Mrv2015 05262115483D          

 44 45  0  0  1  0            999 V2000
   -0.5880   -3.2719    0.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1596   -1.8256    0.1405 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9767   -1.5496    1.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0035   -0.8014   -0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3180    0.7255   -0.2409 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8580    1.3061    0.9495 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1826    1.5302    2.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9105    2.1148    3.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0348    1.2510    2.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2016    1.0897   -1.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7401    1.8287   -2.2789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5052    0.6822   -1.4189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4643    1.0820   -2.4120 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5966    0.0184   -2.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0810   -1.2691   -3.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5553   -1.3097   -4.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9920   -2.4895   -4.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9687   -3.6599   -4.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5165   -3.6516   -2.8931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0738   -2.4675   -2.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9015    2.4680   -2.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7559    3.3372   -2.9861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2547    2.8138   -0.8177 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    4.1121   -0.2417 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7802    5.3395   -0.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0851    6.6114   -0.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6099    7.4784    0.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8801    8.6031    0.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6261    8.8898    0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1135    8.0675   -0.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8421    6.9406   -1.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2695    4.0535    1.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3135    4.3337    1.9864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4948    3.7424    1.7413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8326    3.7532    3.1388 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.3006    4.2361    3.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5519    5.6865    2.8363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8941    6.1880    3.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7722    6.5083    2.2101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2422    6.3377    4.3817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6132    2.3995    3.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1358    1.4036    3.1638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8870    2.1761    4.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7914    2.0723    6.0152 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 13 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 26 31  4  0  0  0  0
 24 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 35 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
$$$$
COVPDB63
  Mrv2015 05262115443D          

 43 45  0  0  1  0            999 V2000
  -10.9496   -4.1730    0.4237 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2442   -3.8719    1.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8380   -3.9155    2.6378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8040   -3.5451    1.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4365   -2.0414    1.6760 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.0366   -1.9009    1.3655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3914   -0.7496    0.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0951    0.2560    0.7326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9609   -0.6522    1.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1607   -1.8591    1.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7372   -1.6889    1.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1757   -0.3808    1.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7402   -0.2013    1.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1805   -0.8877    0.8096 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8419   -0.8780    1.4184 S   0  0  1  0  0  0  0  0  0  0  0  0
    2.2512    0.6227    1.8133 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8893   -1.7833    2.7429 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9722   -1.5469    0.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2512   -0.9775    0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1703   -1.5370   -0.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8219   -2.6731   -1.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7836   -3.1600   -2.3984 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5305   -3.2605   -1.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6221   -2.6775   -0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1222   -4.3913   -2.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8965   -4.9567   -2.0841 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8537   -4.9265   -3.0874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9808    0.7606    1.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3710    0.6777    0.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7796   -1.5041    3.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9900   -1.3886    3.3386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8103   -0.9633    4.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9709   -1.4342    5.3725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8053   -2.7129    5.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6966   -3.6710    5.0181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6998   -2.9633    7.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4192   -3.2137    7.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9841   -3.1829    6.8539 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.2987   -3.4933    9.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4373   -3.5160    9.9627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7030   -3.2454    9.4171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8438   -2.9703    8.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4071   -2.6762    7.4430 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 21 23  4  0  0  0  0
 23 24  4  0  0  0  0
 18 24  4  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 12 28  4  0  0  0  0
 28 29  4  0  0  0  0
  9 29  4  0  0  0  0
  5 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  4  0  0  0  0
 37 38  1  0  0  0  0
 37 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 36 42  4  0  0  0  0
 42 43  1  0  0  0  0
M  CHG  1  26  -1
M  END
$$$$
COVPDB640
  Mrv2015 05262116003D          

 28 30  0  0  1  0            999 V2000
   -5.3477    8.8373   -4.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8094    8.7776   -3.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0415    9.6839   -3.1453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1557    7.7362   -2.7325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6180    7.5090   -1.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1519    6.3620   -0.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5626    5.1927   -1.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9499    4.1409   -0.4779 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2788    4.0398    0.8999 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0527    5.0375    1.7982 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1687    6.5675    0.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1283    2.4928    0.7606 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9045    1.9522    1.2577 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5349    0.6461    1.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3535   -0.2817    1.0560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0985    0.3604    1.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2596    0.9830   -0.0629 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5520    1.0267    0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0945    2.2730    0.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4789    2.3057    0.6866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1716    1.1444    0.8099 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5756   -0.0722    0.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1924   -0.1606    0.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9664    2.8091   -0.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7755    2.0719   -1.6530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5632    4.9709   -2.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7190    4.6244   -3.2191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5148    5.0486   -3.2866 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 12 24  1  0  0  0  0
  8 24  1  0  0  0  0
 24 25  2  0  0  0  0
  7 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
$$$$
COVPDB641
  Mrv2015 05262115433D          

 12 11  0  0  1  0            999 V2000
   -0.7916   -6.2081    1.9348 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7323   -6.1681    0.4658 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0154   -4.8845   -0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6967   -3.5422    0.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1024   -2.3197   -0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5309   -1.0805    0.1488 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0821    0.1302    0.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6232    1.2406    0.3558 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    0.2609   -0.2018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0506   -7.3908   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6884   -8.2563   -0.8388 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1293   -7.6489    0.3148 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
$$$$
COVPDB642
  Mrv2015 05262115593D          

 35 35  0  0  1  0            999 V2000
   -3.8941    3.6471    7.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7086    3.4628    6.5613 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1333    4.8475    6.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1142    2.5870    5.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9276    1.9475    4.5311 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1551    0.7874    5.4166 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9557   -0.3484    6.0550 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3312    0.9395    5.7503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2596    1.4126    3.2386 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2147    0.4781    2.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9855    0.0717    3.8529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4060   -0.0824    1.5818 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3792   -1.6493    1.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8046   -2.3599    0.2669 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3041   -2.1303   -0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4827   -3.8795    0.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3961    0.3602    0.6543 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5939    0.7564   -0.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7584    0.8824   -1.0876 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4725    0.9634   -1.5969 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0343    0.5336   -1.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2142   -1.0018   -0.9531 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6063   -1.2585   -0.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0916   -1.8090   -2.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5398    2.2791   -2.1622 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9767    3.4338   -1.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2963    3.4837   -0.6575 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1225    4.5988   -2.4041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8645    4.7711   -3.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517    6.1311   -4.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3479    6.5395   -4.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1243    7.8118   -5.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2028    8.6944   -5.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5034    8.3033   -4.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7283    7.0299   -4.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 30 35  4  0  0  0  0
M  END
$$$$
COVPDB643
  Mrv2015 05262116113D          

 46 46  0  0  1  0            999 V2000
    0.5672   -6.6479   -4.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0824   -6.3045   -2.7963 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0508   -7.5752   -1.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4895   -5.6244   -2.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1504   -5.0746   -1.5671 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6178   -6.0192   -0.5825 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5228   -7.0265   -0.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8980   -7.3593   -1.9161 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1740   -7.6962    0.3889 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0862   -6.7189    0.9214 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4435   -6.7026    0.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2541   -5.6545    1.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431   -7.5675    0.0925 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2011   -8.2292    1.4986 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2069   -9.2930    0.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9833   -8.8398    2.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3245   -4.0131   -0.9274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4025   -2.8425   -1.3744 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5168   -4.3000    0.1368 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7890   -3.3518    0.9431 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5306   -3.9913    1.4754 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5014   -4.3968    0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2614   -5.1446    2.2711 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6178   -2.8464    2.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1987   -1.8842    2.7576 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8282   -3.4075    2.3337 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8002   -2.9535    3.2799 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6754   -4.1994    3.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7760   -4.0137    4.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3137   -5.3777    5.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4827   -5.2243    6.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8966   -6.5307    6.7110 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5652   -1.7671    2.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3145   -1.1718    3.5931 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4523   -1.1628    1.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -0.9632    0.7822 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6095   -1.8996    0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3541   -3.1153    0.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8202   -1.4865   -0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6164   -0.4522    0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2482    0.2366    1.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8232   -0.0571   -0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2637   -0.6732   -1.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4999   -1.6928   -2.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2721   -2.1044   -1.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5392   -3.1667   -2.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  5 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 27 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  4  0  0  0  0
 40 41  1  0  0  0  0
 40 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 39 45  4  0  0  0  0
 45 46  1  0  0  0  0
M  END
$$$$
COVPDB644
  Mrv2015 05262116003D          

 21 21  0  0  1  0            999 V2000
   -4.9065    1.1243    1.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5433    0.5951    1.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5045    1.4832    1.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2034    1.0062    0.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9251   -0.3732    0.9939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9477   -1.2597    1.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2474   -0.7816    1.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798   -1.0237    0.6247 S   0  0  1  0  0  0  0  0  0  0  0  0
    1.4752   -1.2719    1.9963 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483   -2.4397   -0.1186 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6628    0.0715   -0.3548 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1435    0.4151   -1.7020 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9957    1.5663   -2.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9463    2.8947   -1.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655    4.0406   -2.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7418    5.3372   -1.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5257    6.4044   -1.9472 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1488   -0.7748   -2.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1732   -1.4974   -2.6482 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0210   -1.1003   -3.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3855   -0.5329   -5.1178 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$
COVPDB645
  Mrv2015 05262115493D          

 31 35  0  0  0  0            999 V2000
   10.0833    3.0560    2.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6025    2.9270    2.4997 N   0  0  1  0  0  0  0  0  0  0  0  0
    8.0858    1.7319    3.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5707    1.5273    2.9614 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7313    2.7052    2.7859 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3620    4.0127    2.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8737    4.1320    2.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3395    2.5513    2.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5262    3.5907    2.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1716    3.3972    1.7194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5469    2.1513    1.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1485    1.9027    1.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1223    1.6995    0.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0206    2.7730   -0.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552    2.2372   -2.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0090    2.8328   -3.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0597    2.0153   -4.4837 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1529    0.6598   -4.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1974    0.0883   -3.1198 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1570    0.8560   -1.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2131    0.5281   -0.6806 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3366   -0.8066   -0.1121 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2729   -1.7986   -0.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -3.1426   -0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0353   -3.7949    0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9416   -2.8052    0.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0574   -1.4597    0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2074   -0.0851   -5.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2590   -0.7470   -6.3496 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3013    1.1357    2.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6585    1.3309    2.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 20 21  4  0  0  0  0
 13 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 18 28  1  0  0  0  0
 28 29  3  0  0  0  0
 11 30  4  0  0  0  0
 30 31  4  0  0  0  0
  8 31  4  0  0  0  0
M  END
$$$$
COVPDB646
  Mrv2015 05262115503D          

 34 37  0  0  1  0            999 V2000
    4.5171    6.5094   -5.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6047    7.7326   -5.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6614    7.4434   -3.9820 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3458    6.9324   -4.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9971    5.7178   -3.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4026    5.8945   -2.0164 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0938    4.9630   -1.0578 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359    4.3048   -1.0077 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1891    3.2221    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7420    3.1525    0.8390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1427    2.2633   -0.0483 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0935    1.0103    0.6277 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9548   -0.0676   -0.1070 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6020    0.1217   -1.8031 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2589   -0.7556   -2.7046 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3458    0.3309   -3.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8699   -1.6577   -3.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4832   -1.5166   -1.5629 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7223   -0.6618   -0.4513 N   0  0  1  0  0  0  0  0  0  0  0  0
    0.0430    0.1536    0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2816    0.2545    0.4127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9167   -2.8977   -1.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0541   -3.9291   -1.3912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0767   -3.1539   -0.8546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724    5.2342   -0.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5564    5.1693   -1.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6479    6.0136   -1.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5663    6.9485   -0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3952    7.0366    0.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3107    6.1801    0.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2827    6.8930   -1.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5390    7.1208   -0.4428 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0031    7.5953   -2.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088    8.2642   -2.3092 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 12 20  1  0  0  0  0
 20 21  2  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  8 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
  6 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
  3 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
$$$$
COVPDB647
  Mrv2015 05262115453D          

 15 16  0  0  0  0            999 V2000
   -1.7570   -3.8967    2.3156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1816   -3.5999    0.8205 P   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0972   -4.6238    0.3140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8684   -2.1568    0.7492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0255   -1.1080    0.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8067   -1.1137    0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3222   -2.3324   -0.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6585   -2.3919   -1.2155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -3.5289   -0.0670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0446    0.0583   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5572    1.2386   -0.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1958    2.4283   -0.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760    2.4552   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0103    1.2879    0.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2590    0.0981    0.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
M  END
$$$$
COVPDB648
  Mrv2015 05262115433D          

 23 25  0  0  1  0            999 V2000
    3.9898    2.9123   -0.3234 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1069    2.9962    0.7953 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6204    2.8983    0.3874 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0861    1.4420    0.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3101    1.4389   -0.0103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0228    0.0063    0.0059 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2961   -0.9806   -0.9996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9478   -0.6138    1.4633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4285    0.1600   -0.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8742    3.6917    1.3218 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7594    4.5421    2.0740 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1915    4.3442    1.5229 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5538    5.3990    0.6314 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6539    4.2560    3.4803 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2740    3.0906    4.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2631    3.1730    5.3979 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6452    4.4248    5.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8112    5.0983    6.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5388    4.3363    8.3877 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2008    6.4021    6.8686 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    7.0530    5.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2881    6.4035    4.5060 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8933    5.1048    4.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  1  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 14 23  4  0  0  0  0
 17 23  4  0  0  0  0
M  END
$$$$
COVPDB649
  Mrv2015 05262116013D          

 26 28  0  0  0  0            999 V2000
   -0.7365    3.9334   -0.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3010    5.1688    0.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7438    5.1472    0.4764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3258    5.1709   -0.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8672    3.9502   -1.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3117    3.8446   -1.7219 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9002    2.6052   -2.3061 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2581    2.1922   -3.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727    2.8137   -4.6829 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2642    2.3467   -5.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1048    1.2158   -5.9872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5552    0.6394   -7.5183 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5569    0.6205   -4.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793    1.1214   -3.6179 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4749   -0.3940   -4.8151 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3308   -0.8671   -3.8411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1995   -0.6265   -2.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1502   -1.1035   -1.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2421   -1.8601   -1.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3837   -2.1299   -3.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4500   -1.6274   -4.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6190   -1.8893   -5.6146 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7494   -1.6578   -6.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7462   -1.1049   -5.8258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8473   -1.9830   -7.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8930   -2.5724   -8.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
  8 14  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
$$$$
COVPDB64
  Mrv2015 05262115453D          

 27 30  0  0  1  0            999 V2000
    4.8476    7.6218   -7.3183 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764    7.9972   -6.8532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8171    8.4182   -7.7000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3729    7.9289   -5.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9224    6.5099   -4.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5953    6.4136   -3.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1300    4.9905   -3.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1602    4.6944   -1.5188 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5637    4.8053   -0.8731 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5119    3.7500    0.2420 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9526    3.8063    0.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0971    5.2803    0.7935 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9377    6.0669    1.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7891    7.4671    1.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8194    8.0853    0.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0155    7.2788   -0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1867    5.8827   -0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6721    9.4959    0.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7815   10.2502   -0.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6860   11.6538   -0.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4655   12.3205    0.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3920   13.6716    0.8479 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3269   11.5797    2.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4306   10.1767    1.9743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9063    2.6803   -0.4658 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9502    3.2405   -1.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0043    2.5693   -1.7336 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
  9 17  1  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 21 23  4  0  0  0  0
 23 24  4  0  0  0  0
 18 24  4  0  0  0  0
 10 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
$$$$
COVPDB650
  Mrv2015 05262116013D          

 22 24  0  0  0  0            999 V2000
    1.0352    0.9805   -0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7480   -0.3231   -0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9974   -1.5371   -0.1217 S   0  0  2  0  0  0  0  0  0  0  0  0
    3.0143   -1.3537    1.1070 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8423   -1.3925   -1.4801 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3323   -3.1813   -0.0577 N   0  0  1  0  0  0  0  0  0  0  0  0
    0.5912   -3.4885    1.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5665   -3.5546   -1.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3670   -5.0920   -1.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1398   -5.6028    0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0878   -4.8099    1.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -6.8863    0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2809   -7.2796    1.2938 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3183   -6.4646    2.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7011   -5.2545    2.3146 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0159   -6.8756    3.4659 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7324   -5.9894    4.3396 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0343   -5.5023    3.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9420   -4.7053    4.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2051   -5.4388    5.8149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0120   -5.8018    6.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0785   -6.6940    5.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
  7 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
$$$$
COVPDB651
  Mrv2015 05262115473D          

 33 35  0  0  1  0            999 V2000
    6.9575    2.8018    0.5508 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8380    2.1576    0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6894    2.8532   -0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4752    2.1648   -0.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3855    0.7705   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5605    0.0811    0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7731    0.7695    0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0679    0.0645   -0.1232 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0277   -0.8734   -1.3665 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8791   -1.9472   -1.2461 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3617   -0.1874   -2.5117 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7575   -1.3674   -1.5481 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7016   -0.7010    1.1110 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693    0.0115    2.3832 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1663    0.8799    2.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3330    2.0858    1.9165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1497    0.5315    2.3022 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867   -0.7288    2.5470 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2255   -1.7202    3.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7601   -2.5531    3.9569 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2909   -0.5285    2.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8562   -1.1470    1.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5939    0.7309    3.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3730    1.3600    4.7318 S   0  0  2  0  0  0  0  0  0  0  0  0
    2.1711    0.1349    5.7456 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034    2.3368    4.7951 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9036    2.2818    5.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7376    3.2870    6.3272 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0514    4.0374    6.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5124    3.4526    8.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3300    2.7223    8.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2046    2.2153    9.6234 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3942    2.6359    7.5357 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  3  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 28 33  1  0  0  0  0
M  END
$$$$
COVPDB652
  Mrv2015 05262115473D          

 28 29  0  0  1  0            999 V2000
    1.7261    2.4623   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2675    3.0269    1.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6881    2.3305    2.4547 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2451    2.3595    2.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3359    1.8184    1.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5126    0.0110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4795    3.2069   -0.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7280    3.2421   -0.8155 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0919    3.8737   -1.9815 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5160    4.7392   -2.9525 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7091    4.1570   -3.7849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3852    2.8077   -4.8721 Si  0  0  2  0  0  0  0  0  0  0  0  0
   -0.3694    3.3515   -6.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9241    2.2476   -5.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6154    1.4711   -4.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8957    6.0381   -2.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8579    6.0237   -1.5201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3668    7.2925   -2.4895 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8002    7.7948   -3.1848 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0224    7.1931   -4.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2275    6.7072   -5.4320 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5535    9.3171   -3.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3091   10.2423   -2.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6839   10.0866   -1.0951 S   0  0  1  0  0  0  0  0  0  0  0  0
    2.9940   10.8149   -1.6652 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2682   10.7326    0.3121 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0044    8.2961   -0.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688    7.5940   -2.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  3  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 19 28  1  0  0  0  0
M  END
$$$$
COVPDB653
  Mrv2015 05262115473D          

 33 35  0  0  1  0            999 V2000
   -3.2342   -3.6440   -3.3095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7100   -2.6045   -2.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7130   -2.6613   -1.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1940   -1.5699   -0.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6620   -0.3936   -1.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6800   -0.3670   -2.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1982   -1.4564   -3.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0644    0.8151   -0.2710 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3833    0.5890    0.5244 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2591   -0.3676    1.5021 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4038    0.2133   -0.3166 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7781    1.7502    1.1442 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9906    1.2723    0.6611 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7160    1.8470    0.1380 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9370    3.0812   -0.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0281    2.9720   -1.9176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0715    4.3632   -0.2205 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1159    4.8908    1.1156 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3840    4.3607    2.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7839    3.9113    3.0175 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1228    6.4357    1.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3869    5.6658    1.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7989    0.7831   -0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0630    1.2854   -0.8423 S   0  0  2  0  0  0  0  0  0  0  0  0
    0.7369    1.3650    0.5445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0102    2.7040   -1.5871 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773   -0.0147   -1.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9182    0.4321   -2.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8751    0.9223   -3.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0533    1.3274   -4.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2895    1.2513   -3.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3468    0.7657   -2.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1681    0.3631   -1.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  3  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
M  END
$$$$
COVPDB654
  Mrv2015 05262115463D          

 22 22  0  0  1  0            999 V2000
    1.4022   -7.3761    4.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7380   -7.3163    3.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4824   -6.0197    3.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9165   -6.0483    1.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4402   -4.6786    0.9966 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9301   -4.8043   -0.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1048   -4.5012   -0.6982 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5079   -3.5900    1.0708 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2912   -3.5077    0.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7522   -4.4888   -0.0938 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024   -2.2765    0.4588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5163   -1.8895   -0.2079 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2842   -0.8526    0.6811 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6469   -0.4154    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4913   -1.3804    2.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1295   -1.3390   -1.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6664   -2.3099   -2.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0600   -3.4849   -2.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8225   -4.4412   -3.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1936   -4.2250   -3.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8062   -3.0528   -3.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0471   -2.1060   -2.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
M  END
$$$$
COVPDB655
  Mrv2015 05262115473D          

 23 24  0  0  1  0            999 V2000
   -4.7916    4.1140    0.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3358    4.1588    0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1998    3.5616   -1.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7622    3.6732   -1.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6024    2.8945   -3.1914 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3618    3.2514   -3.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862    3.5925   -5.1245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7477    1.4877   -2.9449 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8492    0.6463   -2.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448    0.9712   -2.1790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3335   -0.5694   -1.9917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6894   -1.6810   -1.3347 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5165   -2.2166   -2.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5955   -3.7291   -1.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8180   -4.1557   -1.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6763   -2.8775   -1.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3900   -1.3995    0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4070   -0.1826    0.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2349    1.0149    0.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5130    2.1703    1.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9139    2.1490    1.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5675    0.9661    0.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8205   -0.1933    0.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
M  END
$$$$
COVPDB656
  Mrv2015 05262115453D          

 53 56  0  0  1  0            999 V2000
   -5.2858    4.6478   -1.9731 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2451    3.8536   -3.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8785    4.2003   -4.0697 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375    2.6685   -2.9541 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3273    1.5776   -3.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8527    0.9353   -3.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7942   -0.4008   -4.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4487   -1.2002   -4.4955 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0687   -1.5120   -3.1330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5699   -2.4478   -2.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4131   -3.2896   -2.6548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2015   -2.4313   -0.8203 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5203   -1.0552   -0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4494   -0.8936    0.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7480   -1.6134    0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1747   -2.7075   -0.4618 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8927   -3.8880   -0.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0912   -3.9171   -0.2819 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4231   -5.1812   -1.2583 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6690   -5.2950   -2.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0153   -4.9633   -3.1414 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5421   -5.0314   -4.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9436   -5.5769   -5.3460 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3848   -4.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8212   -3.0613   -4.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6907   -2.1341   -4.9203 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2221   -1.6098   -3.5323 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2120   -0.9146   -2.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1396   -1.6533   -1.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9798   -0.9983   -0.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9120    0.3972   -0.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7031    1.0092    0.0809 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0151    1.1457   -1.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1779    0.4941   -2.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9355   -0.9999   -5.7586 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7798   -0.7379   -7.2596 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8679   -0.4385   -8.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2332   -0.9167   -9.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2618   -2.2608  -10.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1853   -2.6793  -11.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1024   -1.7607  -11.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1173   -0.4336  -11.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2012   -0.0188  -10.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4445   -2.1164   -7.1123 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5390   -2.7750   -6.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5543   -3.9900   -6.7332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4953   -2.3650   -5.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5109   -3.0981   -5.3511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9354   -5.4967   -0.9327 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3807   -5.9090    0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6274   -6.0712    1.2707 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  1  0  0  0  0
 31 33  4  0  0  0  0
 33 34  4  0  0  0  0
 28 34  4  0  0  0  0
 26 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 40 45  4  0  0  0  0
 38 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
  8 49  1  0  0  0  0
 49 50  2  0  0  0  0
 19 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
M  END
$$$$
COVPDB657
  Mrv2015 05262115423D          

 13 13  0  0  0  0            999 V2000
    3.6458   -4.2021   -0.7738 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0747   -2.8452   -1.1880 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.5468   -2.1772   -2.4826 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0043   -2.0809   -0.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2305   -0.6752   -0.2591 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3945    0.2635    0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3185   -0.0614    0.8192 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7701    1.6904    0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8457    2.1740   -1.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    2.2862   -1.9971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7817    2.7941   -3.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4574    3.1214   -3.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5015    2.7471   -2.1719 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  9 13  4  0  0  0  0
M  END
$$$$
COVPDB658
  Mrv2015 05262115433D          

 14 14  0  0  0  0            999 V2000
   -5.7125   -5.9365    2.1628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8239   -6.0019    0.9165 B   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8978   -7.2172   -0.0123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6865   -4.9281    0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3423   -5.3391    0.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3104   -4.4018    0.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5859   -3.0202    0.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5948   -2.0390    0.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7395   -2.2307    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6812   -1.2351   -0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3574    0.0656   -0.2675 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9003   -1.5221   -0.0973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9527   -2.6288    0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9901   -3.5668    0.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  7 13  4  0  0  0  0
 13 14  4  0  0  0  0
  4 14  4  0  0  0  0
M  END
$$$$
COVPDB659
  Mrv2015 05262116093D          

 41 45  0  0  1  0            999 V2000
    4.5102    0.7387   -3.4728 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5017    0.4835   -2.0710 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7483    0.8363   -1.4818 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5881    1.5709   -0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5425    1.9442    0.3560 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1907    1.8444   -0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4721    1.3778   -1.3386 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2467    0.6947   -1.0460 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276    0.9737   -1.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9127    1.8266   -2.4995 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1824    0.2817   -1.0701 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7967   -0.6904   -2.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1068    1.2596   -0.4613 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9187    2.0692   -1.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8890    1.9861   -2.4853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7687    2.9942   -0.6779 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5970    3.8390   -1.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8146    3.1333    0.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0150    2.3539    1.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1519    1.4229    0.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4079    0.7568    1.6722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0012    2.5185    2.8954 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0316    2.8670    3.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2066    2.9441    3.2933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7907    3.1080    5.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5503    3.6712    5.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3130    3.8934    6.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3878    3.5396    7.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6589    2.9916    7.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8092    2.7879    6.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2594    3.7540    9.2027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1257    3.6269    9.9456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0914    2.8230    9.5700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0130    4.3238   11.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1205    4.1964   11.9032 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1561    3.4040   11.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    2.6779   10.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3238    3.2874   12.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3645    2.4375   11.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2455    1.7109   10.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0868    1.8333    9.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  2  0  0  0  0
 14 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 13 20  4  0  0  0  0
 20 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  4  0  0  0  0
 32 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 33 37  4  0  0  0  0
 36 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 37 41  4  0  0  0  0
M  END
$$$$
COVPDB65
  Mrv2015 05262115453D          

 28 31  0  0  1  0            999 V2000
    1.6179   -0.1408   -0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1886   -0.0937    0.0177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2518    0.5339    1.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5169   -0.2205    2.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0766    0.3974    3.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3672    1.7743    3.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0997    2.5667    2.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5298    1.9177    1.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4234    3.9642    2.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5406    4.9170    1.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8803    6.2850    1.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1203    6.7114    2.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8131    8.0089    1.9555 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6575    7.9055    3.2341 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2030    6.4654    3.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9847    5.8003    2.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6507    4.4366    2.7788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4121    9.0986    3.1191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5521   10.0494    2.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8167   11.2650    2.7720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3059    9.4797    2.0430 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8997   10.0615    0.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5085   11.5717    0.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3392   12.0904   -0.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1675   13.6341   -0.9611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1887   14.1151   -2.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1258   14.6415   -2.9068 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2549   14.0534   -3.0395 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  4  0  0  0  0
 16 17  4  0  0  0  0
  9 17  4  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
$$$$
COVPDB660
  Mrv2015 05262116083D          

 20 19  0  0  0  0            999 V2000
  -13.5263   -5.5370   -0.1028 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -12.0421   -6.2365   -0.7402 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.3546   -6.8954   -2.3414 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -10.9645   -5.2302   -0.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9088   -5.4348   -0.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1254   -4.1004   -1.5393 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1505   -3.0685   -1.6853 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7343   -1.8914   -2.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6993   -0.7586   -2.7416 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3141    0.4391   -3.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2993    1.5876   -3.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9273    2.7496   -4.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0256    4.0091   -4.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5972    5.0978   -5.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9341    6.3395   -5.3328 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1404    7.4704   -6.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9130    7.4792   -7.0459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4554    8.7155   -5.6651 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.7073    8.5159   -5.7209 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.9300    9.1896   -4.0370 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
$$$$
COVPDB661
  Mrv2015 05262116103D          

 13 12  0  0  1  0            999 V2000
    0.4679   -2.2191   -0.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4607   -0.8838   -1.3363 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8129   -0.6276   -1.8594 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0378    0.3053   -0.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3803    0.1954    0.6166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1391    1.6512   -1.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0994    1.6825   -2.4369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2265    3.0833   -3.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1768    3.0642   -4.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3146    4.4556   -4.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150    4.4213   -6.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7452    4.6968   -7.4018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4293    4.1484   -6.0279 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
$$$$
COVPDB662
  Mrv2015 05262116083D          

 20 22  0  0  0  0            999 V2000
   -1.0861   -3.4764    3.8308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3503   -3.5247    2.4899 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.4095   -4.7879    2.0812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2813   -2.2350    1.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9549   -1.6270    1.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9954   -0.4670    0.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1988    0.0858   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4470   -0.5196    0.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4726   -1.6872    1.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6510    0.0349   -0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5080   -0.7248   -1.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0188    1.3575    0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1980    1.9251   -0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0383    1.1849   -1.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6969   -0.1658   -1.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2194    1.7242   -1.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6155    3.0010   -1.6733 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0141    0.9432   -2.6187 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7312   -0.3521   -2.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5598   -0.9352   -2.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
 14 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
M  END
$$$$
COVPDB663
  Mrv2015 05262115443D          

 17 17  0  0  0  0            999 V2000
   -7.6397    0.2067   -0.8942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4404   -0.1873   -0.0300 B   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6427   -0.4387    1.4685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9416   -0.2706   -0.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9921    0.2517    0.2274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6345    0.1293    0.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1957   -0.5115   -0.8424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7363    0.6687    1.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4597    0.5394    0.9400 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2031   -0.0345    0.0066 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6079    0.1188    0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1232    1.3712    2.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2197    1.8572    3.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1663    2.6479    4.4771 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7067    2.3108    3.7175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4255    1.6471    2.5755 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9237    2.6343    4.1815 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 12 16  4  0  0  0  0
 15 17  1  0  0  0  0
M  END
$$$$
COVPDB664
  Mrv2015 05262116003D          

 29 32  0  0  1  0            999 V2000
    4.6928   -3.2455   -2.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7700   -2.4464   -1.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2213   -2.9187   -0.2517 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4021   -2.0273    0.2272 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3803   -0.9389   -0.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724   -1.1588   -1.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5743   -0.3244   -2.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5620   -0.5752   -3.4684 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7609    0.7140   -3.0521 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8461    1.5199   -4.2259 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3221    0.8128   -5.5189 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4930   -0.8151   -5.5211 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483   -0.2237   -5.4416 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7126   -0.3824   -3.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1661   -1.0932   -6.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1311    1.2997   -5.8397 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1744    1.6171   -5.3596 N   0  0  1  0  0  0  0  0  0  0  0  0
    1.6470    2.3488   -4.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1578    3.2482   -3.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2470    1.6152   -7.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2839    2.3547   -7.7434 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5909    1.1995   -8.1187 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5540    0.1825   -0.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1415    1.4580   -0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3470    2.5893    0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0467    2.4606    0.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6467    1.2006    0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1407    0.0641   -0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -1.4064   -0.4155 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  2  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  5 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
 28 29  1  0  0  0  0
M  END
$$$$
COVPDB665
  Mrv2015 05262115463D          

 40 41  0  0  1  0            999 V2000
   -2.5961    4.1285   -5.2403 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9327    4.9959   -4.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5909    6.1655   -5.1759 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8324    6.9843   -4.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4786    6.0399   -3.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4834    4.8648   -3.2348 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7053    4.9416   -2.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4597    4.7467   -0.7276 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7857    3.4696   -0.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3871    2.3420   -0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7124    1.1482    0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3684    0.1249    0.4191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3490    1.0739   -0.0228 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4735   -0.0939    0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9547    0.2801   -0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7100    5.7055    0.0403 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9074    7.0260    0.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2200    7.4097    1.2987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7585    8.0543   -0.3528 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9763    9.4030   -0.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6446    9.3002   -1.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0594   10.1912   -2.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2707    9.9286   -2.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147   11.4325   -2.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0806    8.3198    0.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2762    7.4758    0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1926    6.5606   -0.6967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6107    7.6773    0.8051 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.5464    8.6838    0.0305 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0900   10.1665    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8398    8.2363   -1.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4102    7.8747    2.2182 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3323    8.1234    3.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5220    8.4034    2.9223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9742    8.0296    4.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8583    7.3041    5.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8790    7.3898    6.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0231    8.1893    6.6196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7226    8.6032    5.5294 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9944    6.8044    7.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 35 39  4  0  0  0  0
 37 40  1  0  0  0  0
M  END
$$$$
COVPDB666
  Mrv2015 05262115433D          

 20 20  0  0  0  0            999 V2000
   -5.6506   -3.9115    0.0819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9769   -3.0315    1.2222 P   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0811   -2.7702    2.3343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8553   -3.7741    1.8138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4694   -1.5270    0.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730   -1.6769   -0.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0210   -0.3906   -1.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8882    0.4164   -1.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6834   -0.0123   -1.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0355   -0.2324   -0.0071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0316    0.6204   -2.0749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5311   -0.1034   -3.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3574   -0.4345   -4.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8756   -1.2663   -5.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4499   -1.7768   -5.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2805   -1.3880   -4.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7998   -0.5593   -3.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9035   -2.5940   -6.1814 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0868   -3.0612   -6.1924 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2444   -2.9440   -7.0813 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
M  CHG  2  18   1  19  -1
M  END
$$$$
COVPDB667
  Mrv2015 05262115533D          

 28 29  0  0  1  0            999 V2000
    4.5195    6.4456    6.1874 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9112    5.4699    5.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8211    4.4814    5.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2305    3.4746    4.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7301    3.4286    3.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8031    4.4285    3.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4093    5.4460    4.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1634    2.3555    2.5740 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9275    2.8762    1.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4924    3.8638    0.7670 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0276    2.2036    0.9606 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7067    2.4506   -0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2923    2.7838   -0.0121 B   0  0  0  0  0  0  0  0  0  0  0  0
   10.6977    4.0527    0.7456 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3543    1.9415   -0.7237 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0204    1.6450    2.0589 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0437    0.4285    1.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1483   -0.1692    1.4101 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9357   -0.1218    0.7559 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7141    0.5028    0.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5921   -0.0049    0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -1.1385   -0.6030 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8932   -1.7878   -0.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0200   -2.8357   -1.3654 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0210   -1.2783    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0920   -1.9209   -0.1293 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5181   -1.6151   -1.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5132   -1.1250   -2.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  2  0  0  0  0
 23 25  4  0  0  0  0
 19 25  4  0  0  0  0
 25 26  2  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$
COVPDB668
  Mrv2015 05262115533D          

 30 31  0  0  1  0            999 V2000
   -6.4586   10.1811    2.7461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0265    9.4315    1.7021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0288    8.4612    1.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5460    7.7048    0.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0433    7.9119   -0.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0645    8.8730   -0.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5512    9.6279    0.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5045    7.1204   -1.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0896    5.6817   -1.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5744    4.7800   -2.7991 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2869    3.4730   -2.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8191    2.9791   -1.8378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3625    2.8237   -4.0541 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0320    1.5912   -4.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6703    1.6537   -5.8074 B   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9204    2.4972   -6.0608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0171    0.8794   -6.9566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1626    4.5736   -2.6422 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2574    4.2130   -3.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7094    4.0325   -4.7681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8955    4.0603   -3.3346 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4112    4.3374   -1.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9192    3.6401   -1.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8849    3.6075   -2.6936 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4280    3.5898   -4.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2282    3.4745   -4.9633 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0447    3.7248   -4.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2815    3.5460   -5.5056 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3009    3.5703   -2.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7080    2.5687   -1.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 21 27  1  0  0  0  0
 27 28  2  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$
COVPDB669
  Mrv2015 05262115533D          

 29 30  0  0  1  0            999 V2000
   -6.3038    2.1387   -0.0853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5866    1.3593   -0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0872    1.9230   -2.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3465    1.1352   -3.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0910   -0.2313   -2.7471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6092   -0.7890   -1.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3407    0.0011   -0.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3006   -1.0671   -3.6991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9741   -1.6572   -3.1298 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1215   -0.6392   -2.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7100    0.3509   -3.1244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8139   -0.7952   -1.1565 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0449    0.1075   -0.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2406   -0.5763    1.0931 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7819   -1.5306    1.7227 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -0.0744    1.9405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2346   -2.2571   -4.2057 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3410   -3.5527   -4.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1094   -4.3091   -3.9911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6876   -4.0405   -5.7668 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0865   -5.3250   -6.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0687   -5.3148   -7.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1654   -4.7694   -8.3939 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8451   -3.8073   -7.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8906   -3.2772   -8.1198 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3555   -3.3726   -6.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9086   -2.3648   -5.9005 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6051   -5.1793   -9.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0394   -4.3082  -10.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  2  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
$$$$
COVPDB66
  Mrv2015 05262115453D          

 30 31  0  0  1  0            999 V2000
    2.1535   13.2667    0.8456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3415   12.3333    1.2521 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3509   11.9138    2.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6548   13.1640    1.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5088   11.2200    0.3406 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7765   10.1499   -0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4804    9.5958   -1.0041 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5304    9.5749    0.1605 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    8.4655   -0.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4739    8.6592   -1.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2715    8.9565    0.1412 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8048   10.1478    0.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6714    9.9298    1.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3392    8.1966    0.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9888    8.6668    1.5983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7729    6.9426    0.2424 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4097    5.9617   -0.7421 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3995    4.9784   -0.0350 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7618    3.8156    0.7782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1589    2.6742   -0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3473    1.6799    0.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8322    0.5790    0.0300 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0387   -0.3149    0.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3963   -1.3156   -0.2708 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5493   -0.2501    1.6719 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6992    6.1392    0.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4985    6.2866    1.7524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7938    6.2516   -2.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3992    7.4156   -2.4789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5543    5.4136   -3.0425 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 18 26  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  2  0  0  0  0
 17 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
$$$$
COVPDB670
  Mrv2015 05262116083D          

 65 69  0  0  1  0            999 V2000
   -3.8151    3.1995   -5.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4445    2.9551   -4.5205 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1200    1.5545   -4.4294 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5547    0.8002   -5.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2142    1.3542   -6.5156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2969   -0.6814   -5.3355 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1505   -0.9675   -5.0930 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8527   -0.0923   -4.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8318   -2.0368   -5.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0693   -2.1404   -5.4961 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2613   -3.1275   -6.5558 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1611   -2.7384   -8.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4952   -2.2692   -8.6932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249   -1.9896  -10.1205 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690   -3.7058   -5.8856 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0502   -4.2408   -6.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7896   -4.6774   -5.4026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5191   -4.4116   -7.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0486   -3.3231   -8.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4554   -3.4969   -9.6341 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4003   -4.7004  -10.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9544   -5.7639   -9.5479 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5271   -5.6805   -8.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0915   -6.9266   -7.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708   -4.8490  -11.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3081   -3.7708  -12.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6191   -3.9077  -13.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3975   -5.1191  -14.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9003   -6.2072  -13.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5934   -6.0764  -12.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6671   -5.1946  -15.9484 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1768   -4.8890  -16.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7646   -4.1414  -16.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3505   -6.5907  -16.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3696   -1.3580   -4.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1071   -2.3527   -3.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1564   -2.9757   -2.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4651   -2.4645   -2.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4998   -2.9763   -2.0601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4459   -2.7088   -0.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6060   -3.4600    0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5287   -3.3613    1.5096 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7044   -1.4087   -3.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7581   -1.0206   -4.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6995   -0.4330   -3.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1816    0.7354   -2.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9672    1.8424   -2.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3584    3.0778   -1.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8869    3.0899   -1.3296 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8368    3.7832   -2.0327 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2235    3.7296   -3.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2702    4.5449   -3.2807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4159    1.8739   -0.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2026    1.3267    0.2039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1722    1.3442   -0.8237 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6908    0.1384   -0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3742   -0.0653   -0.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7355   -0.2427   -0.7629 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3552    1.7412   -2.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8974    0.5974   -3.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0697   -0.4870   -3.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5658   -1.5473   -4.5156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6464   -1.2448   -5.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9995   -2.5036   -6.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8779   -3.4487   -6.7605 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
  6 35  1  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 38 43  4  0  0  0  0
 43 44  4  0  0  0  0
 35 44  4  0  0  0  0
 43 45  1  0  0  0  0
 45 46  4  0  0  0  0
 46 47  4  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
  2 51  1  0  0  0  0
 51 52  2  0  0  0  0
 49 53  1  0  0  0  0
 53 54  2  0  0  0  0
 53 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  3  0  0  0  0
 47 59  4  0  0  0  0
 59 60  4  0  0  0  0
 60 61  4  0  0  0  0
 45 61  4  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 65  1  0  0  0  0
M  END
$$$$
COVPDB671
  Mrv2015 05262116083D          

 26 27  0  0  0  0            999 V2000
    1.6276    3.3376   11.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6359    2.6041   11.0182 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6158    3.3932   10.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4079    1.1970   11.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3508    0.3236   10.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3334   -1.4466   10.8833 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3745   -2.3277    9.2812 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1438   -2.2384    7.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6258   -2.7604    6.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7641   -2.4261    6.2445 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2186   -3.5372    5.9131 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0928   -3.9014    4.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5176   -3.0694    3.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5416   -3.4419    2.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0048   -4.6839    1.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6055   -5.5198    2.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6723   -5.1220    4.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3064   -5.9329    5.0723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0511   -2.5538    1.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1421   -1.7755    0.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6094   -0.8928   -0.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9892   -0.7808   -0.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4201    0.0218   -1.6177 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9022   -1.5403    0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4399   -2.4194    1.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3129   -3.1023    1.7629 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  1  0  0  0  0
 22 24  4  0  0  0  0
 24 25  4  0  0  0  0
 19 25  4  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$
COVPDB672
  Mrv2015 05262115483D          

 30 32  0  0  1  0            999 V2000
    2.1497   -2.4871    7.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174   -2.0603    8.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9533   -0.8489    7.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2210   -0.0687    6.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9507   -0.4935    6.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3973   -1.7101    6.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0687   -2.1922    6.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2032   -3.0852    5.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9747   -4.0737    5.2815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -2.8066    4.1113 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4428   -3.4922    2.8582 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9754   -4.9612    2.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4181   -5.1353    3.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9378   -6.5198    3.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2383   -7.0178    2.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7918   -8.2995    1.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0590   -9.1021    2.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7424   -8.6329    4.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1791   -7.3531    4.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1710   -2.6762    1.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241   -2.1166    0.8043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -1.2171   -0.3309 S   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4991   -0.1353    0.4470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6522   -0.4264   -1.3604 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6525   -2.3560   -1.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8771   -2.7626   -0.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6974   -3.6941   -1.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3039   -4.2139   -2.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0803   -3.8195   -3.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525   -2.8993   -2.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 11 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
M  END
$$$$
COVPDB673
  Mrv2015 05262115493D          

 28 27  0  0  0  0            999 V2000
   -1.1145   -4.8231    9.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0017   -4.1082    8.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3540   -2.6378    8.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7677   -1.9182    7.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4091   -0.4467    6.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5283    0.2783    6.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1547    1.7484    5.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2609    2.4898    4.9666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8619    3.9508    4.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9651    4.7000    3.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3919    6.3528    3.3399 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1632    7.2559    2.6497 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4598    6.5203    1.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3433    7.0393    0.3763 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7678    5.4121    0.6975 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9662    4.7099   -0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0147    3.4938   -0.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2711    2.7261   -1.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    1.4882   -2.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6762    0.7740   -3.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7870   -0.4703   -3.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1091   -1.1728   -5.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141   -2.4173   -5.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5313   -3.1299   -6.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6435   -4.3811   -6.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9381   -5.0373   -8.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0075   -5.0771   -9.2543 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0522   -5.5709   -8.4791 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
$$$$
COVPDB674
  Mrv2015 05262116103D          

 21 22  0  0  0  0            999 V2000
    1.6195   -0.2054    0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1838   -0.1013    0.0615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3447    0.5481    1.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5187   -0.2081    2.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0855    0.3709    3.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4633    1.7203    3.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2890    2.4830    2.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.9167    1.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6724    2.6914   -0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6984    2.0811   -1.1956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5974    4.0900   -0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9080    4.8467   -1.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8412    6.2433   -1.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2664    7.0378   -0.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3612    8.4354   -0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0359    9.0689   -1.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5715    8.3069   -2.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4323    6.8991   -2.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1392    6.2309   -3.6267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1120    6.7846   -4.8663 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7393    5.1363   -3.5257 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
$$$$
COVPDB675
  Mrv2015 05262116093D          

 32 33  0  0  1  0            999 V2000
   -4.0291    0.7944    9.2400 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5038    0.4387    8.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9389    1.2798    7.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6575    1.0173    7.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0516   -0.1066    7.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5085   -0.9568    8.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660   -2.2965    9.0884 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7898   -0.6860    9.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0518    1.9313    6.0300 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0573    3.3588    6.5161 N   0  0  1  0  0  0  0  0  0  0  0  0
    0.6995    3.5152    7.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7120    4.2832    5.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8329    1.8080    4.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0694    2.0092    4.7943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4155    1.5226    3.4908 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8678    1.4733    2.8296 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0224    0.5668    3.4034 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5392   -0.8303    3.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2748    0.3929    2.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9782    1.6988    2.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4987    1.1142    1.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7655    1.8920    0.4827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929   -0.0394    1.2167 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7343   -0.4900   -0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5167   -1.7172    0.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9073   -1.8123    0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5578   -3.0180    0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8507   -4.0456    0.8698 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5162   -3.9435    1.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8710   -2.7936    0.7720 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8599   -4.9270    1.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2722   -5.7951    2.0798 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  2  8  4  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
 29 31  1  0  0  0  0
 31 32  3  0  0  0  0
M  END
$$$$
COVPDB676
  Mrv2015 05262116133D          

 32 35  0  0  0  0            999 V2000
    2.4063    0.5385  -13.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0761    0.4286  -12.1000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7633    1.4145  -11.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2584    0.9277  -10.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8072   -0.3889  -10.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0990   -0.6429  -11.3668 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0136    1.6283   -9.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9710    2.5919   -9.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6922    3.3083   -8.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4789    3.1049   -7.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2082    3.9173   -6.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3708    4.5288   -6.7424 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8148    4.1337   -5.2377 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5285    2.1118   -6.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2984    1.7858   -5.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0810    1.7597   -5.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8515    1.4000   -3.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7532    1.7428   -2.8967 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6938    0.6848   -3.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069    0.1167   -4.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7626    0.1818   -5.3738 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5992   -0.5886   -3.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4281   -0.7887   -2.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4019   -0.2398   -1.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.4820   -1.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3223    0.9445   -0.9033 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6814   -1.5139   -1.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8128   -2.1202   -0.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0220   -2.6929   -0.2965 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6542   -2.4902   -1.4061 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9022   -1.7854   -2.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8189    1.3889   -7.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 10 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 20 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 19 25  4  0  0  0  0
 25 26  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 27 31  4  0  0  0  0
 14 32  4  0  0  0  0
  7 32  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  30
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB677
  Mrv2015 05262115483D          

 35 36  0  0  1  0            999 V2000
   -9.2186   -1.3728    0.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0843   -0.6005    0.2664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8172   -1.2359    0.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7055   -0.3482   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4531   -1.0390    0.0411 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2916   -0.2877   -0.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0810   -1.2304   -0.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8444   -0.5185   -0.3773 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3799   -1.0998   -0.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4764   -2.3417   -0.0722 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793   -0.2995   -0.1939 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7705   -0.7398    0.2676 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8799    0.3127   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0947    0.6941   -1.5068 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2096    1.7697   -1.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4267   -0.5121   -2.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6896   -1.1373    1.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4327   -2.0675    2.0906 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7191   -0.5974    2.5040 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469   -1.3002    3.4018 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0275   -0.3072    4.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0488    0.0876    3.6507 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3622    0.1752    5.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5634    0.2401    5.7992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6329    0.5099    6.3137 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4513    0.8458    7.6883 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3322    0.0254    8.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6270    1.5123    8.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140   -2.4811    4.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3251   -3.2988    4.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3780   -4.2390    4.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4469   -4.9788    4.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8264   -4.7894    5.9531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1264   -3.8730    6.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0547   -3.1364    6.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 28  1  0  0  0  0
 20 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 30 35  4  0  0  0  0
M  END
$$$$
COVPDB678
  Mrv2015 05262116093D          

 16 17  0  0  1  0            999 V2000
   -7.5081   -5.3751    2.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2674   -4.7665    1.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5088   -5.4767    1.1946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0102   -3.4632    2.2081 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9584   -2.6492    1.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9813   -1.3541    2.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9784   -0.4131    2.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9095   -0.7404    1.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8702   -2.0427    0.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8802   -2.9807    1.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8595    0.2643    0.9405 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4518   -0.0633    1.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3005    0.2404    0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1261    0.3148    0.2511 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4438    0.4699   -0.6902 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7010    0.3792   -0.4829 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
$$$$
COVPDB679
  Mrv2015 05262115523D          

 20 19  0  0  0  0            999 V2000
   -2.4881   -1.2671   13.1753 N   0  5  0  0  0  0  0  0  0  0  0  0
   -3.1824   -1.3247   12.2457 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.8826   -1.3854   11.3167 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0493   -2.5352   10.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1176   -2.3232    9.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2066   -2.9323    9.6959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9107   -1.4798    8.5129 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8684   -1.2110    7.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2523   -0.3341    6.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3767   -0.2193    4.9504 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5005    1.2734    3.7609 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2252    0.3814    2.8153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8018    1.1779    1.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4350    0.9547    1.1988 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8733    1.3290    0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5745    1.7877   -0.9183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4140    1.2223   -0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0159   -0.0780    0.0548 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273   -0.4199   -0.0219 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2341   -0.7669   -0.1010 N   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  2  0  0  0  0
M  CHG  4   1  -1   2   1  19   1  20  -1
M  END
$$$$
COVPDB67
  Mrv2015 05262115573D          

 32 35  0  0  1  0            999 V2000
   -2.7256    6.4480   -3.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9418    5.1310   -2.6869 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4338    4.0012   -3.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4275    3.6548   -4.6190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4921    2.6740   -5.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5443    2.0138   -5.7374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3014    2.3983   -6.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7950    1.0118   -6.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3961   -0.0756   -6.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9219   -1.3884   -6.6957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1576   -1.6339   -5.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7678   -0.5648   -5.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2942    0.7485   -5.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9219    5.2559   -1.4472 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4095    4.2706   -0.5440 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0406    4.0363   -0.2397 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5487    2.7037    0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9797    1.5123    0.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6108    1.2721    0.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1114   -0.0481    0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2774   -0.2654    0.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1634    0.8239    0.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6363    2.1194    0.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    2.2932    0.3560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8446    3.0774   -0.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9458    2.4825   -0.1303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3821    4.5776   -1.8551 S   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6273    3.3699   -2.5890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3873    5.8103   -1.6057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0086    6.5727   -0.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1851    7.2443   -0.7425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0159    7.0966   -0.2114 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 17 25  1  0  0  0  0
 15 25  1  0  0  0  0
 25 26  2  0  0  0  0
 16 27  1  0  0  0  0
  2 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 14 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
$$$$
COVPDB680
  Mrv2015 05262115423D          

  9  8  0  0  0  0            999 V2000
    0.0761    1.6939    1.6982 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6127    0.5518    2.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1195   -0.7277    1.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9628   -1.5180    1.4051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3214   -1.0919    1.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6388   -2.4858    1.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0633   -2.8400    1.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -3.6937    2.4293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9111   -2.3507    0.6791 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
$$$$
COVPDB681
  Mrv2015 05262115523D          

 43 45  0  0  1  0            999 V2000
    3.9299   -2.7983    8.3533 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3768   -3.4847    8.8091 S   0  0  2  0  0  0  0  0  0  0  0  0
    2.1718   -3.2574   10.3837 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3940   -5.0571    8.4946 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1214   -2.6504    7.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6634   -3.1543    6.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2768   -2.4299    5.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7751   -1.1877    6.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3302   -0.7127    7.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6059   -1.4344    8.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6739   -0.4147    5.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6709    0.8331    5.7327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5313   -0.9898    4.6923 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4578   -0.2549    3.8833 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0051   -1.0705    2.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5186   -2.3788    2.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0118   -3.1278    1.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0096   -2.5799    0.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5153   -1.2821    0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0132   -0.5394    1.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5265    0.3339    4.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4225   -0.3816    5.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1934    0.4930    6.1780 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8109    1.6792    5.8315 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8240    1.6334    4.9840 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2215    2.8283    4.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1873    3.5364    3.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5450    4.6996    3.9009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7035    2.8744    2.5294 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8462    3.2895    1.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8437    2.7570    0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2823    2.5079   -0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3910    2.6647   -2.0085 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2173    1.7413   -2.4784 S   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4626    2.6939   -1.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8805    2.3768   -2.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8903    2.7733   -1.1591 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2148    2.8939   -1.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6443    2.7244   -2.6172 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1621    3.2252   -0.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7957    4.5077    0.2200 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2794    5.2925    0.9891 N   0  3  0  0  0  0  0  0  0  0  0  0
  -16.7545    6.0499    1.7293 N   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 14 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 21 25  4  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  2  0  0  0  0
M  CHG  2  42   1  43  -1
M  END
$$$$
COVPDB682
  Mrv2015 05262115523D          

 10 11  0  0  1  0            999 V2000
    0.8742   -0.1053    1.1091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1555   -0.0819    0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3369   -0.8459   -0.6989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2178    0.7207    0.6360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2640    0.3797   -0.2690 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5112   -0.4060   -1.3752 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0962    1.5580   -0.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9863    1.1300   -2.3776 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1114   -0.9715   -2.3227 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3854   -1.5020   -2.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
$$$$
COVPDB683
  Mrv2015 05262116023D          

  8  8  0  0  0  0            999 V2000
   -3.9591   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7062   -0.0000   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0042   -1.2083   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6558   -1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0462   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6558    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0042    1.2083   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  2  8  1  0  0  0  0
M  END
$$$$
COVPDB684
  Mrv2015 05262115423D          

 35 37  0  0  1  0            999 V2000
   -2.0522   -6.2754   -1.7560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4578   -7.2406   -1.4762 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.5814   -8.1894   -2.3154 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7210   -7.3562   -0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3401   -8.6403    0.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4159   -8.8321    1.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7863  -10.0576    1.7352 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.4957  -11.0402    1.1738 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4898  -10.2449    2.7804 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7688   -7.6749    2.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4100   -6.3930    1.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2947   -6.2212    0.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5049   -4.9256   -0.0223 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5266   -4.4897   -0.9369 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2345   -3.0801   -1.5087 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0145   -3.0388   -2.0862 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241   -2.7239   -2.5608 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1237   -1.3777   -2.9952 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7686   -2.9067   -1.9926 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9228   -4.2306   -1.1601 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8076   -4.4231   -0.2648 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2260   -4.2419   -0.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4180   -5.4964    0.3239 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8254   -2.6691   -2.9675 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9401   -3.4912   -4.1559 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1721   -3.0337   -4.9834 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0082   -1.6914   -5.4344 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4055   -3.9728   -6.2001 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6253   -3.6115   -6.8454 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4636   -5.4615   -5.7610 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5170   -6.3059   -6.9102 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2360   -5.8129   -4.8735 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1420   -4.8687   -3.7925 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3436   -7.2135   -4.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2081   -7.4635   -3.4021 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  6 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  4 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 25 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  CHG  4   2   1   3  -1   7   1   9  -1
M  END
$$$$
COVPDB685
  Mrv2015 05262115543D          

 15 16  0  0  0  0            999 V2000
   -1.0230   -1.1131   -1.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5596   -0.9201   -1.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1855   -0.7590   -0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4657    0.3216    0.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9257    0.1272    0.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3281    0.0366   -0.8139 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0558   -0.1198   -0.7197 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8144   -0.2074   -1.6612 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5675   -0.3341   -2.6027 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9403   -0.5686   -2.5085 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5395   -0.6477   -3.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0729   -0.8890   -3.9164 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4639   -2.1271   -3.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8179   -2.1078   -1.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2882   -1.8661   -1.7137 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
$$$$
COVPDB686
  Mrv2015 05262115433D          

 12 11  0  0  1  0            999 V2000
   -4.2627    1.7632    0.1289 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4806    2.2072    1.2929 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0271    1.6493    1.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2231    2.0884   -0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1709    1.5722   -0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1087    2.4006    0.0725 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459    0.2200   -0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5780   -0.2309   -0.0766 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.6522   -0.6675   -0.0071 N   0  5  0  0  0  0  0  0  0  0  0  0
   -4.2279    1.8237    2.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7162    0.9816    3.4423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3755    2.2864    2.7117 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  2  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  CHG  2   8   1   9  -1
M  END
$$$$
COVPDB687
  Mrv2015 05262115493D          

 18 17  0  0  0  0            999 V2000
  -12.1362   -1.2347   12.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5864   -1.8274   10.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3768   -1.0343   10.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8660   -1.6577    8.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6243   -0.9463    8.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2337   -1.5682    6.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9218   -0.9970    6.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7123   -1.4669    4.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2869   -1.1832    4.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1163   -1.6275    2.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7580   -2.0062    2.6587 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8848   -1.4870    1.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1693   -0.5216    1.0109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3131   -2.2385    1.6559 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0147   -0.6149    1.8247 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3255   -0.2021    0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4829    0.8078   -0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8723    0.9229   -1.4168 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$
COVPDB688
  Mrv2015 05262115483D          

 10  9  0  0  0  0            999 V2000
   -2.5024    1.3053   -0.0285 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0456    0.6686   -1.1581 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5783    1.3019   -2.2550 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5024   -0.6280   -1.1447 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5019    0.7012   -1.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0473    0.0342   -0.0593 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4867   -0.0072    0.0125 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0437    1.2481    0.0860 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8198   -0.6719    1.1637 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0437   -0.6985   -1.0379 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
$$$$
COVPDB689
  Mrv2015 05262115513D          

 31 32  0  0  1  0            999 V2000
    2.3319   -1.7040   -3.8452 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6068   -1.8637   -4.5565 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5170   -1.1008   -5.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5058    0.3806   -5.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7207    1.1078   -5.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7183    2.5040   -5.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5004    3.1908   -5.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2861    2.4806   -5.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2881    1.0845   -5.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9671   -3.3173   -4.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8205   -3.8070   -5.7511 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4203   -4.1315   -3.5228 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3017   -3.6833   -2.1075 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0112   -2.3546   -1.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4455   -2.1095   -2.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8498   -0.6092   -2.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2613   -0.4187   -2.2755 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8726    0.6800   -2.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1732    0.7675   -2.5729 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2786    1.6656   -3.2747 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8914   -3.7478   -1.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611   -4.1105   -2.3600 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311   -3.4778   -0.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9958   -1.8137    0.0148 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9527   -5.4223   -3.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1260   -5.7876   -5.0092 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4099   -6.4994   -2.8766 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3202   -7.1068   -1.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0980   -7.5369   -0.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4044   -6.7144   -0.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5186   -6.0393   -2.0241 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 13 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 12 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
$$$$
COVPDB68
  Mrv2015 05262115573D          

 20 23  0  0  1  0            999 V2000
   -7.4551   -1.4014   -0.9964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4813   -0.5488   -1.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8422    0.5566   -1.8581 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1397   -0.8684   -1.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6500   -2.0470   -0.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9179   -1.9718   -0.8369 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7622   -0.3798   -1.7287 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1262   -0.0206   -1.5048 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8739    1.2331   -1.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5501    2.1843   -0.6625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5504    0.9287   -1.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4791    1.5827   -0.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076    1.0423   -0.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8997    1.6333    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9090    0.6904   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872    0.6691    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8027   -0.9824   -0.1698 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2442   -1.4832   -0.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4147   -0.3627   -0.7309 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1716   -0.1744   -1.0451 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  4  0  0  0  0
 19 20  4  0  0  0  0
 13 20  4  0  0  0  0
M  END
$$$$
COVPDB690
  Mrv2015 05262116003D          

 11 10  0  0  0  0            999 V2000
    0.8597   -1.4089   -3.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5514   -0.7025   -2.4485 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9805   -0.6687   -2.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2996   -1.4397   -1.4543 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4736   -0.8070    0.0020 P   0  0  2  0  0  0  0  0  0  0  0  0
    2.3642   -1.8069    0.8499 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1765   -0.6698    0.6758 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1976    0.6158   -0.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4949    0.7104   -0.7099 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7404    2.2259   -0.9164 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6481    0.0779    0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
$$$$
COVPDB691
  Mrv2015 05262116153D          

 13 12  0  0  1  0            999 V2000
   -2.0023    2.5118   -3.7692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507    1.9607   -2.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0787    2.4032   -1.3338 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4622    2.0692   -1.4285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448    1.8527   -0.0167 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2032    2.3149    1.1015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3056    0.3804    0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0878   -0.2052    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0078    0.4398   -0.0869 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5071   -0.4721    0.1458 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6053   -1.3214   -0.9968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5485   -1.3281    1.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379   -1.1874    2.2213 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
$$$$
COVPDB692
  Mrv2015 05262115453D          

 22 23  0  0  1  0            999 V2000
   -2.0480   -2.5916   -2.0743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3547   -1.3811   -2.3747 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6014   -0.9901   -3.8516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8620    0.1905   -4.2288 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5730    0.1142   -4.0404 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9321   -0.2705   -2.5765 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2892   -0.4661   -2.4471 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1656   -1.5390   -2.1154 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3901   -1.7680   -0.7243 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164   -0.8026   -4.9590 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2179   -0.3789   -6.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2166    0.4871   -6.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2737    0.8945   -6.0579 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6479    0.3066   -4.9951 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9474    1.8015   -6.3598 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680    0.9065   -8.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0041    0.4682   -8.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8689    0.8902  -10.2496 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.1040    0.5407  -10.9928 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6317    1.6083  -10.7673 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0823   -0.4488   -8.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1845   -0.8608   -7.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 17 21  4  0  0  0  0
 21 22  4  0  0  0  0
 11 22  4  0  0  0  0
M  CHG  4  13   1  14  -1  18   1  19  -1
M  END
$$$$
COVPDB693
  Mrv2015 05262115533D          

 22 24  0  0  1  0            999 V2000
    2.3056   -0.9983   -6.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6188   -1.1647   -5.3932 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4132    0.0827   -4.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0639   -1.2400   -4.4106 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5226   -2.6016   -3.2849 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1144   -2.3925   -1.8505 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9607   -1.0853   -1.3856 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6814   -0.4523   -0.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    0.8362   -0.1843 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2526    1.5546   -0.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4707    2.4498   -1.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6532    3.4567   -1.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0567    2.7894   -1.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5605    2.1401   -0.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4786    1.5759    0.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4045   -2.6763   -2.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5879   -2.6840   -2.0841 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8646   -2.7265   -3.6982 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3656   -2.4968   -5.0064 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1259   -3.6779   -5.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1595   -4.2542   -6.5201 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9817   -4.1634   -6.0256 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 15  1  0  0  0  0
  6 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  5 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
$$$$
COVPDB694
  Mrv2015 05262116103D          

 35 35  0  0  1  0            999 V2000
    7.2947  -11.5241  -10.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0044  -11.1123   -9.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2740  -10.0189   -8.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0097   -9.5668   -7.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3393   -8.4666   -6.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0877   -7.9840   -5.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3973   -6.8581   -4.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -6.3990   -4.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3418   -5.2572   -3.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0392   -4.9402   -2.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180   -3.8676   -1.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9278   -3.6923   -0.2795 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0970   -2.5168    0.5363 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1050   -1.8929    1.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1936   -2.3346    2.3733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6094   -0.7124    0.6839 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2274    0.4514    0.6448 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3666    0.5865   -0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0130    1.6552   -0.0227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2694   -1.0606   -0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2767   -0.0314   -1.2941 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5653    0.1443   -0.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6429   -0.4519   -2.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4469   -4.9467    0.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4924   -5.6519    1.4241 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5317   -6.3952    0.7641 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1529   -7.5510    1.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6178   -8.7091    1.2452 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0031   -7.0040    2.0343 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0123   -7.0975    3.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1339   -6.2428    4.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786   -6.3123    5.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3179   -5.4417    6.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3926   -5.5446    7.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5421   -4.7033    8.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 12 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
$$$$
COVPDB695
  Mrv2015 05262115433D          

 13 13  0  0  0  0            999 V2000
   -2.2512    1.3500   -7.2124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9529    1.7040   -7.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4615    1.5180   -8.5099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1752    2.2566   -6.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6088    2.5647   -5.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1454    3.1464   -4.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4254    3.2525   -2.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2858    3.8273   -1.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966    4.3006   -1.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2663    4.8367   -0.8640 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1844    4.2121   -3.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4459    4.6692   -3.3986 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4618    3.6531   -4.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  1  0  0  0  0
 11 13  4  0  0  0  0
  6 13  4  0  0  0  0
M  END
$$$$
COVPDB696
  Mrv2015 05262116003D          

 13 13  0  0  1  0            999 V2000
   -2.7120   -2.4387    1.0668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8701   -1.2921    1.1592 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7415   -0.0027    1.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8669    1.2928    1.1651 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1459    1.3301    2.4047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8293    1.2582   -0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0727   -0.0156   -0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1811   -0.0032    0.0091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8354   -1.2874   -0.0044 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0215   -2.4256    0.0881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7290    2.5037    1.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7618    3.4329    2.0626 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4668    2.6997    0.0848 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
$$$$
COVPDB697
  Mrv2015 05262115433D          

 31 32  0  0  1  0            999 V2000
    1.5709   -5.0675   -1.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0405   -4.5526   -0.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7582   -3.5244   -0.1551 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6880   -5.2016    0.9661 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0974   -4.8202    2.2901 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7766   -5.9453    3.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3514   -5.6696    4.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5438   -5.1816    5.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0986   -4.9200    6.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656   -5.1508    7.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2821   -5.6269    6.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7305   -5.8778    4.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4311   -3.5427    2.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1757   -3.5631    2.6864 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0816   -2.3760    3.0469 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5060   -2.2173    3.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7639   -0.7248    3.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4780   -0.2363    4.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3801   -1.1999    3.4961 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5376   -0.5558    2.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4817    0.0678    2.8352 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8957   -0.6146    1.1414 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2247   -0.0047    0.0337 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2706   -0.4027   -0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5132   -1.9326   -0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0224   -2.2957   -0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2614   -3.8260   -0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6886   -4.1498   -0.1773 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4065    1.6352    0.1134 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.5582    2.3045   -0.6362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138    2.5114    0.8464 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
$$$$
COVPDB698
  Mrv2015 05262115433D          

 33 34  0  0  1  0            999 V2000
    1.3074    0.9929   -5.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0003    0.5573   -3.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4471    1.4247   -2.9911 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1374   -0.7773   -3.5224 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7774   -1.3456   -2.3663 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0128   -2.8769   -2.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8261   -3.4855   -1.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2135   -4.2344   -0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9877   -4.8171    0.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3850   -4.6567    0.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0063   -3.9046   -0.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2315   -3.3163   -1.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9413   -1.0921   -1.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7752   -1.5582   -1.1905 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3593   -0.4163   -0.0202 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490    0.1912    0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6148    0.9436    1.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4822    0.2594    2.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5378   -0.2977    1.1580 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3341    0.5577    0.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6615    0.3271    1.7094 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3377    1.5795    0.0777 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7168    2.5124   -0.1869 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0690    1.8849   -0.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9417    0.9712   -1.8867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2626    0.2277   -2.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1543   -0.6759   -3.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3848   -1.5119   -3.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6871   -2.4633   -2.7651 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1684   -1.3047   -4.6117 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9165    3.5050    1.1170 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2110    4.8631    1.1530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8859    3.1361    2.2452 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
$$$$
COVPDB699
  Mrv2015 05262115433D          

 32 33  0  0  1  0            999 V2000
    3.5190    3.1485    2.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1689    2.5363    3.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4812    3.1946    4.7750 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5939    1.2690    4.2450 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3278    0.5536    5.4632 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2205   -0.7248    5.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1210   -1.3995    6.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3316   -2.5624    7.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460   -3.1919    8.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9407   -2.6629    9.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7213   -1.5032    9.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8038   -0.8714    8.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8789    0.1916    5.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4515   -0.5351    4.6089 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0106    0.5696    6.5485 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3756    1.4014    7.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0704    1.7069    8.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8614    0.5577    8.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3546    0.1128    6.6119 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2272    0.6211    5.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1969   -0.0897    5.1685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9905    1.8411    4.9629 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7597    2.4897    3.9453 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9241    1.6896    2.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5791    1.2600    1.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7714    0.3183    0.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5794   -0.1666    0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3997   -1.1681   -0.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7035   -1.6141   -1.4978 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2197    2.9481    4.5687 B   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4016    4.3563    5.1428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4307    2.0128    4.5003 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 23 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
$$$$
COVPDB69
  Mrv2015 05262115453D          

 32 33  0  0  1  0            999 V2000
    1.4572   -0.0490   -0.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0935   -0.1294    0.1594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4798    0.5843    1.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2066    1.4304    1.8013 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8361    0.3446    1.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5137   -0.3334    0.7091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4067    0.7979    2.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6582    0.5239    3.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1908    0.9555    4.4235 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2798   -0.2523    5.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5091    1.5119    4.2820 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8860    2.7890    4.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0314    3.6593    4.8704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3208    3.1749    4.5287 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.7836    3.9339    5.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6917    3.1239    7.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7124    2.2034    7.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6482    1.4660    8.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5460    1.6166    9.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5168    2.5163    9.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5940    3.2705    7.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4684    4.0393    3.4016 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2764    3.8577    2.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1612    4.6978    1.4049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1920    2.8410    2.2291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9955    2.5909    1.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0520    1.5835    1.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7015    0.2510    1.6387 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6983   -0.7117    1.8837 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0569   -0.3514    1.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4198    0.9695    1.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4234    1.9288    1.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
M  END
$$$$
COVPDB6
  Mrv2015 05262115473D          

 26 26  0  0  1  0            999 V2000
   -1.4423   -1.8665    6.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9633   -0.8413    5.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2450   -0.9903    4.6029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3983   -0.2192    3.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2060    0.7381    3.4583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -0.4679    2.3300 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7287   -1.7423    1.7004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1341   -0.5958    0.9360 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2391   -0.0125   -0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4415   -0.7680   -0.8009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1162    1.3416   -0.0867 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9739    2.0664   -0.6665 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5688    3.5337   -1.0159 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4295    3.6142   -2.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0151    4.2156    0.0956 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0892    1.9749    0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1453    1.3943   -0.0327 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9180    2.4427    1.5875 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8089    2.2680    2.6992 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2405    2.8981    2.5219 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2037    4.4039    2.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1947    2.6682    3.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5429    1.1886    4.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0820    2.7638    3.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7365    1.9260    4.8961 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7317    3.9614    3.9938 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
$$$$
COVPDB700
  Mrv2015 05262115433D          

 30 31  0  0  1  0            999 V2000
    1.5344   -5.0599   -1.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9918   -4.5223   -0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6745   -3.4689   -0.1726 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6738   -5.1886    0.9620 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -4.8079    2.2820 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8022   -5.9455    3.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3732   -5.6624    4.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5573   -5.1717    5.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0991   -4.9099    6.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4668   -5.1279    7.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2919   -5.6096    6.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7504   -5.8674    4.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4096   -3.5417    2.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1549   -3.5752    2.7396 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648   -2.3765    3.0519 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4901   -2.2261    3.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7631   -0.7393    3.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4920   -0.2713    4.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3737   -1.1966    3.5076 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5483   -0.5325    2.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4456    0.1342    2.8354 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8814   -0.6360    1.1437 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2121   -0.0274    0.0327 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2834   -0.4198   -0.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5373   -1.9490   -0.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0488   -2.2807   -0.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2596   -3.7316   -0.2851 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4003    1.6130    0.0962 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.5458    2.2673   -0.6779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6147    2.4966    0.8298 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
$$$$
COVPDB701
  Mrv2015 05262115413D          

 13 14  0  0  0  0            999 V2000
   -0.0329    2.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7399    3.6880   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1419    3.6858   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8407    2.4668   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1394    1.2361   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7091    1.2274   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8173   -0.0038   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0656   -0.1063   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1011   -1.1603   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7417   -1.2113   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0441   -2.7570    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0035   -0.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6969   -0.0910    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  2  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
  6 12  4  0  0  0  0
 12 13  1  0  0  0  0
M  END
$$$$
COVPDB702
  Mrv2015 05262115513D          

 23 23  0  0  0  0            999 V2000
   -0.7925   -8.9401   14.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1774   -7.9302   14.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0915   -7.5431   15.9553 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2018   -7.3260   13.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6029   -6.5379   12.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8587   -6.8560   11.5915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2760   -5.3706   13.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4321   -3.9957   12.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4741   -2.9290   13.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3418   -2.4413   14.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3328   -1.6175   15.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4733   -1.2435   14.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5666   -0.5900   14.9925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7293    0.0833   16.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7763    0.4102   16.9131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1098    0.4088   16.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8449   -0.8625   17.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3097   -0.5972   17.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9280   -1.7935   18.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9944   -2.3852   17.5518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4771   -2.2668   19.2094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5466   -1.6480   13.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5588   -2.4754   12.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 12 22  4  0  0  0  0
 22 23  4  0  0  0  0
  9 23  4  0  0  0  0
M  END
$$$$
COVPDB705
  Mrv2015 05262115583D          

 23 25  0  0  0  0            999 V2000
    2.4375   -4.7148   -5.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9937   -3.9298   -4.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9229   -4.3043   -3.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3982   -5.4035   -3.2385 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3423   -3.4298   -2.7402 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1108   -3.5408   -1.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8149   -2.3391   -0.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1119   -4.7463   -0.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8865   -4.7404    0.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6195   -3.5314    1.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5518   -2.3096    0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4100   -3.5373    2.7424 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1147   -2.4001    3.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0027   -1.2324    2.7401 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2028   -1.1349    1.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0215    0.0470    0.7361 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5606    1.2106    1.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2480    1.9278    0.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9161    3.1284    0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8984    3.6317    1.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    2.9443    2.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1797    3.6223    4.4911 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5223    1.7456    2.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 21 23  4  0  0  0  0
 17 23  4  0  0  0  0
M  END
$$$$
COVPDB706
  Mrv2015 05262115503D          

 35 39  0  0  1  0            999 V2000
   -3.5079   -9.4149   -2.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9309   -9.6134   -2.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4490  -10.9329   -2.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7926  -11.1766   -1.8434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6454  -10.1029   -1.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1507   -8.7896   -1.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7999   -8.5267   -1.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2795   -6.8247   -1.8408 S   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1834   -6.4979   -2.9657 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5328   -5.8529   -2.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625   -6.4484   -0.1841 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5895   -6.5596    0.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8592   -5.0949    1.3779 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6040   -4.9937    2.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7270   -4.4312    2.6518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1054   -5.5137    3.8261 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7993   -5.4965    5.0791 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.6570   -6.5342    5.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3764   -7.4013    5.5718 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0277   -4.9317    6.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1682   -4.1183    5.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5382   -4.5302    1.2005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0385   -4.9941   -0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8348   -3.7415    2.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4116   -3.3426    3.1427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3983   -3.3444    1.9588 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1316   -1.9677    1.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9068   -2.1397    2.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3735   -4.4335    1.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5475   -4.6366    0.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -5.6978    0.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4918   -6.5755    1.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3359   -7.5710    1.7804 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3090   -6.3794    2.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2327   -5.3169    3.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  3  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 11 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  1  0  0  0  0
 32 34  4  0  0  0  0
 34 35  4  0  0  0  0
 29 35  4  0  0  0  0
M  END
$$$$
COVPDB707
  Mrv2015 05262116103D          

  9  8  0  0  1  0            999 V2000
    2.4573    3.8351   -0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1106    4.3344   -0.7454 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3580    5.5065   -1.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2794    3.1995   -1.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1374    1.9948   -0.5336 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9465    2.4471    0.6082 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8819    0.9360   -1.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1902    1.0272   -2.5742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2256   -0.1068   -0.6553 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
$$$$
COVPDB708
  Mrv2015 05262115573D          

 18 18  0  0  0  0            999 V2000
   -0.2733    0.3510    0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2283    0.0487    0.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4818   -0.6471   -1.0369 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8131   -2.0686   -1.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3984   -2.7815    0.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2796    0.0343   -2.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8901    1.2861   -2.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6595    1.9805   -3.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    1.4352   -4.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5650    2.1068   -5.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0788    3.2924   -6.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5826    4.0310   -4.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3019    3.8139   -7.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7231    5.0851   -7.5213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1370    3.1412   -8.3591 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2421    0.1627   -4.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5199   -0.4446   -5.4214 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4473   -0.5039   -3.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  9 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
  6 18  4  0  0  0  0
M  END
$$$$
COVPDB709
  Mrv2015 05262115493D          

 12 11  0  0  1  0            999 V2000
    0.1733   -1.7465    3.6770 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4780   -1.9946    2.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345   -0.7585    1.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4479   -0.9804   -0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1321    0.2299   -1.0581 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9240    1.3926   -0.6037 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5818   -0.0781   -2.5245 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9350   -0.3202   -2.6065 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103    0.9691   -3.3769 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275    0.5520   -1.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2350   -0.3196   -1.5433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7679    1.6318   -0.5870 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
$$$$
COVPDB70
  Mrv2015 05262115573D          

 22 23  0  0  0  0            999 V2000
   -1.6390   -5.9887    0.7175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3980   -4.6500    0.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0516   -3.9629   -0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.6931   -1.6905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8121   -2.5725   -0.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8902   -1.8464    0.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2558   -2.5607    2.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4902   -3.9540    2.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8070   -4.6310    3.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5425   -0.4883    0.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661    0.4358    1.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4416    1.7680    1.7716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1983    2.4371    2.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2993    3.7531    3.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5453    4.4487    1.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2651    3.8040    0.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2295    2.4867    0.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0998    5.6943    1.9135 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9638    6.7674    1.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1520    6.7462    0.1212 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6918    7.9341    1.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7664    8.0591    2.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
$$$$
COVPDB710
  Mrv2015 05262115433D          

 33 34  0  0  1  0            999 V2000
    1.2768    0.9830   -5.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9705    0.5574   -3.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3997    1.4308   -2.9989 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1320   -0.7733   -3.5376 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7660   -1.3324   -2.3787 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9975   -2.8634   -2.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8099   -3.4661   -1.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1991   -4.2071   -0.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9730   -4.7770    0.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3695   -4.6119    0.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9909   -3.8760   -0.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2159   -3.3006   -1.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9281   -1.0796   -1.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7568   -1.5318   -1.2101 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3523   -0.4212   -0.0267 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6460    0.1746    0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6239    0.9045    1.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4920    0.2132    2.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5338   -0.3074    1.1545 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3458    0.5728    0.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292    0.3837    1.7609 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3449    1.5673    0.0592 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6878    2.5287   -0.1872 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0658    1.9197   -0.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0585    1.0468   -1.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3585    0.2098   -1.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4768   -0.3849   -3.2945 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2502   -1.4238   -3.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3594   -1.7785   -4.9020 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9091   -2.1201   -2.7413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241    3.5493    1.1082 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0886    4.8919    1.1171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7893    3.2345    2.2549 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
$$$$
COVPDB711
  Mrv2015 05262115463D          

 16 15  0  0  1  0            999 V2000
    3.5282   -2.7788  -10.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9386   -3.1347   -8.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8921   -1.9109   -7.8336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3009   -2.2614   -6.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2575   -1.0312   -5.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6656   -1.3701   -4.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6121   -0.1450   -3.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0067   -0.4996   -1.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9360    0.7168   -0.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3266    0.3696    0.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3100    1.5981    1.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2856    1.2575    3.1165 P   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1461    0.7483    3.0109 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4686    0.1733    3.7587 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2390    2.5640    4.0452 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0619    3.1261    4.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$
COVPDB712
  Mrv2015 05262115573D          

 22 23  0  0  0  0            999 V2000
    4.9789   -4.8845   -4.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7520   -4.6708   -3.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579   -4.6936   -4.4441 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2011   -4.3919   -3.6549 P   0  0  2  0  0  0  0  0  0  0  0  0
    0.0672   -4.4794   -4.5817 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2885   -2.9395   -2.9946 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907   -1.8441   -3.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5208   -0.5280   -3.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0377   -5.4788   -2.4909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0726   -5.2506   -1.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1313   -6.3484   -0.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8325   -7.5425   -0.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8972   -8.5844    0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5083   -6.2272    0.6552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4581   -7.2723    1.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2433   -8.4793    1.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1030   -7.1109    2.7874 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1214   -8.0658    3.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7293   -7.8469    4.8275 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4558   -9.2800    3.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2403   -9.4999    2.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9475  -10.7989    2.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 11 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 13 16  4  0  0  0  0
 15 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  2  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 21 22  1  0  0  0  0
M  END
$$$$
COVPDB713
  Mrv2015 05262115473D          

 12 12  0  0  1  0            999 V2000
    3.1305    3.1470   -2.2239 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1755    4.0447   -1.5526 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4505    3.3214   -0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3883    2.8003    0.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7794    3.6031    1.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6900    3.1157    2.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2234    1.8220    2.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8423    1.0124    1.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9245    1.4944    0.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2581    4.5964   -2.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0861    4.4428   -2.5041 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7174    5.2420   -3.5461 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
$$$$
COVPDB714
  Mrv2015 05262115433D          

 16 15  0  0  0  0            999 V2000
    5.9161   -3.6240    1.4861 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1430   -2.2888    1.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3264   -1.8834    1.6301 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0064   -1.3443    1.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2419   -1.3035    0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0592   -0.4037    0.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1007    0.6339   -0.4679 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8335   -0.7451    1.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6547    0.2530    0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4967   -0.1431    1.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5420    0.2701    2.8754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5594   -1.0545    1.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6861   -0.2948    0.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7105   -1.2070   -0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9186   -1.2921   -1.4224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4094   -1.9152    0.6731 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
$$$$
COVPDB715
  Mrv2015 05262115433D          

 16 15  0  0  0  0            999 V2000
    5.5517    1.5691  -10.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4577    0.8159   -9.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7355    1.6374   -8.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6389    0.8830   -6.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9142    1.7183   -5.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    0.9777   -4.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0841    1.8202   -3.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9852    1.0709   -1.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2620    1.8991   -0.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1663    1.1438    0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4402    1.9846    1.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3321    1.2530    3.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4714    2.2742    4.2675 S   0  0  2  0  0  0  0  0  0  0  0  0
    0.3649    1.2467    6.0367 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0181    2.6064    3.7808 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2762    3.6367    4.5175 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  2  0  0  0  0
M  END
$$$$
COVPDB716
  Mrv2015 05262116103D          

 15 15  0  0  1  0            999 V2000
    3.1353   -2.9689   -2.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0338   -2.0511   -0.8662 N   0  3  1  0  0  0  0  0  0  0  0  0
    3.0979   -2.9338    0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2560   -1.1611   -0.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7129   -1.2533   -0.9034 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4803   -0.2151    0.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1508    0.4390    0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0476   -0.0620    0.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9906    0.8516    0.4830 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4112    1.8794   -0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2307    3.3070   -0.7000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0993    1.6442   -0.3125 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -0.5678   -2.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2946   -0.8859   -2.8905 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1332    0.3478   -2.6583 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  7 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  CHG  1   2   1
M  END
$$$$
COVPDB717
  Mrv2015 05262115423D          

 26 28  0  0  1  0            999 V2000
   -5.2804    9.2334   -4.7619 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9946    8.9284   -3.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2655    9.7962   -2.6190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4331    7.7049   -3.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0343    7.3482   -1.9217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5218    6.1159   -1.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1118    5.3101   -0.6828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4795    4.1751   -0.3336 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0987    3.9179   -0.0782 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5314    2.5321   -0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9178    1.3425    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5470    1.1406    0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0079   -0.1584    0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3957   -0.3397    0.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2300    0.7662    0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6518    2.0428    0.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3076    2.1787    0.3887 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8330    2.8834   -0.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9071    2.2571   -0.3975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1707    4.5696   -1.5084 S   0  0  1  0  0  0  0  0  0  0  0  0
    0.1134    5.3801   -0.9940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7219    3.3789   -2.4841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3282    5.6972   -2.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3376    5.5630   -0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6329    5.0129    1.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2345    6.2771   -0.5581 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 10 18  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  2  0  0  0  0
  9 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
$$$$
COVPDB718
  Mrv2015 05262116083D          

 42 45  0  0  1  0            999 V2000
   -3.4776   -3.8860   -5.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1775   -3.7572   -5.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2682   -3.5135   -6.8242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5263   -3.4961   -7.1430 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2680   -3.7056   -6.1001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1938   -3.2328   -7.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0794   -4.3071   -7.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5365   -5.5143   -8.4316 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -6.5965   -8.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4666   -6.6127   -8.3930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3176   -7.7501   -9.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3015   -9.1148   -8.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2330   -9.1928   -7.4366 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4443  -10.6089   -7.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5213  -11.2015   -7.2858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6223   -8.4523   -6.3842 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0678   -8.0136   -5.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1398   -7.4327   -4.5638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3608   -8.0974   -4.4236 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6024   -8.9411   -4.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5011   -8.5815   -6.1314 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5686   -7.0781   -6.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4124   -6.8426   -7.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8416   -7.4272   -7.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8059   -8.9202   -7.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9512   -9.1454   -5.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7646   -6.7657   -4.0499 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4402   -6.0843   -2.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6746   -6.5961   -2.0548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0285   -4.7540   -2.5915 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9993   -4.1713   -3.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0293   -3.7695   -2.2605 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8098   -3.2308   -1.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3950   -3.6743   -0.0109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9653   -2.1588   -0.9155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7197   -1.4388    0.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0217   -0.1803    0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552    1.0631    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0471    2.2622   -0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4405    2.2363   -0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1283    1.0097   -0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4229   -0.1906   -0.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
  1 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 37 42  4  0  0  0  0
M  END
$$$$
COVPDB719
  Mrv2015 05262116083D          

 43 46  0  0  1  0            999 V2000
    1.7531    0.8404    1.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1212    1.0211    0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3009    2.3007   -0.2534 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8449    2.9105    0.7552 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1289    2.0642    1.7018 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0702    2.8345   -1.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2439    2.4217   -2.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9487    2.4976   -4.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0442    3.0089   -4.7775 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2004    2.3867   -5.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9904    3.1030   -5.8030 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6171    0.9914   -4.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4173    0.8923   -3.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1616   -0.4487   -3.2420 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1232   -0.7061   -4.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9920   -1.6836   -5.1088 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9386   -0.6128   -2.0303 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7613   -0.2719   -0.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5716   -0.8419    0.0582 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7847    0.6543   -0.0629 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4956    1.7255    0.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6687    3.0361    1.0924 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6602    3.9994   -0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7258    5.2218    0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1181    6.0610    1.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1660    5.0904    2.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1425    3.8185    2.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7603   -0.0597    0.6567 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8335   -0.8944    0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9095   -1.1847   -1.1264 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6722   -1.4414    0.8479 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0708   -0.4699    1.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9771   -2.7865    1.2207 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0520   -3.7412    1.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9152   -3.4782    1.9611 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3269   -5.0382    1.1938 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8981   -5.4223   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5252   -6.8033   -0.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -7.3038   -0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8865   -8.6241   -0.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8324   -9.4525   -1.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1099   -8.9510   -1.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4527   -7.6342   -1.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 20 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
  1 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 38 43  4  0  0  0  0
M  END
$$$$
COVPDB71
  Mrv2015 05262115573D          

 23 24  0  0  0  0            999 V2000
    1.3656    2.1906   -9.4105 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3007    2.7089   -8.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5694    4.0825   -7.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9308    4.9671   -9.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4774    4.6109   -6.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1425    3.8077   -5.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8832    2.4338   -5.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9707    1.8701   -7.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074    0.4197   -7.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1002    4.4051   -4.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8265    3.7926   -3.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7811    4.3544   -1.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9596    5.7327   -1.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    6.2200   -0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4418    5.3501    0.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3462    3.9699    0.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5146    3.4844   -0.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1820    5.8821    2.1043 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9045    5.2013    3.2551 S   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1196    4.4973    2.4739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1173    4.0832    4.0968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5467    6.4189    4.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6811    7.6946    3.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
$$$$
COVPDB720
  Mrv2015 05262116083D          

 31 35  0  0  1  0            999 V2000
   -2.1088   -4.9366   -1.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7885   -4.9887   -3.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7118   -5.5183   -4.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9603   -5.9681   -3.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2798   -5.8946   -2.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3637   -5.3869   -1.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6346   -5.3122    0.0789 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0502   -5.7729    0.6427 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3253   -7.3230    0.5082 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3318   -7.8402    1.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0674   -8.1264    0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1606   -9.3581    0.3197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8294   -7.5435    0.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6316   -6.2164    0.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8678   -8.2784    1.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0062   -8.9351    1.6565 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2501   -4.8691    0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8484   -3.4457   -0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5685   -2.9566    0.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4912   -3.8558    0.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3393   -3.3522    1.0134 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1571   -2.0410    1.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1859   -1.1888    1.0955 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3699   -1.5978    0.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0314   -1.4914    1.8591 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2159   -2.0139    2.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1011   -1.1898    2.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262   -1.5884    3.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8885   -2.8278    2.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0225   -3.6660    1.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6961   -3.2672    1.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
  7 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  3  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
  7 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 26 31  4  0  0  0  0
M  END
$$$$
COVPDB721
  Mrv2015 05262116083D          

 31 35  0  0  1  0            999 V2000
    3.6757   -4.3546   -2.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4956   -4.3447   -4.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4949   -3.1277   -5.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6773   -1.9275   -4.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8423   -1.9508   -2.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8538   -3.1685   -2.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9562   -3.1671   -0.6719 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4785   -4.4728    0.0872 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9455   -4.8159   -0.3773 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6473   -5.8648    0.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7762   -3.5712   -0.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9606   -3.6795   -0.8903 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2430   -2.3126   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9056   -2.1120   -0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0254   -1.3641    0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7353   -0.5269    0.5261 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4926   -5.6932    0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9869   -5.3320    0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6772   -3.8976    0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5535   -2.9126   -0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8602   -1.7559   -0.2344 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6368   -1.9235    0.1840 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4745   -3.2459    0.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3296   -0.9421    0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4673   -1.3449    0.6911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1762    0.4826    0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0816    1.1427    0.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828    2.5421   -0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0249    3.3308   -0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2341    2.7141   -0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3279    1.3147    0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
  7 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  3  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
  7 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 19 23  4  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 26 31  4  0  0  0  0
M  END
$$$$
COVPDB722
  Mrv2015 05262116083D          

 26 29  0  0  1  0            999 V2000
    0.3324    0.4403    2.1862 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5809    0.2727    1.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6008    0.0886    0.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2534    1.1634    0.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0198   -1.2133    0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2449   -2.1865    0.6453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3722   -1.5084   -0.1153 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0906   -2.5796    0.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2437   -0.2040   -0.2714 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3952    1.0685   -0.6719 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7832    1.0080   -2.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4619   -0.3606   -1.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3637    0.9082   -1.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6727    2.2052   -0.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2984    2.2762   -0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7942    3.4894   -0.2942 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5024    4.6427   -0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7984    4.5896   -0.6751 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3928    3.4225   -1.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9944    5.8275    0.1637 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7520    6.0942    0.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5752    5.3433    0.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3618    5.6622    1.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2896    6.7652    1.9365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4314    7.5534    2.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6490    7.2173    1.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 10 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
M  END
$$$$
COVPDB723
  Mrv2015 05262116083D          

 34 38  0  0  1  0            999 V2000
   -5.2696   -7.5212    2.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6269   -7.1108    1.1482 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4349   -5.5538    1.0266 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7683   -4.7402    0.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5717   -3.3254    0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2246   -2.7672    0.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0223   -1.4160    0.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7907   -0.9831    1.1672 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7148   -1.8081    1.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5638   -1.2451    1.6833 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6282   -1.8163    2.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4598   -1.0361    2.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6813   -1.5398    3.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0983   -2.8312    2.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -3.6091    2.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0871   -3.0985    1.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8878   -3.1078    0.8442 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0902   -3.6210    0.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2765   -5.0736    0.0429 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0875   -5.9180    0.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1358   -7.2149    0.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0378   -7.8791    0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0575   -8.4769    0.7301 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3496   -7.8517    0.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4096   -9.1068    0.9738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5081   -5.1375   -1.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5175   -5.9285   -2.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6580   -6.0221   -3.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8181   -5.2814   -4.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8210   -4.4372   -3.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6684   -4.4061   -2.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0050   -3.6408   -4.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0950   -2.7671   -4.1226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966   -3.6864   -5.8664 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
  9 17  4  0  0  0  0
 17 18  4  0  0  0  0
  6 18  4  0  0  0  0
 18 19  1  0  0  0  0
  3 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  3  0  0  0  0
 21 24  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  2  0  0  0  0
 19 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 26 31  4  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
M  END
$$$$
COVPDB724
  Mrv2015 05262116133D          

 26 28  0  0  1  0            999 V2000
   -4.0989   -5.7963    0.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8271   -4.2907    0.0793 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4701   -3.6966    1.3259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6809   -4.0418   -0.9388 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4310   -2.5352   -1.3170 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0904   -1.8090   -1.6157 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1869   -2.5787   -1.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -1.5642   -3.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1038   -0.4789   -3.8679 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0371    1.0694   -4.1795 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1665    2.1084   -4.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3718    3.0559   -3.9282 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1628    2.7013   -2.5953 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4058    1.8314   -2.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8627    2.0387   -1.7306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103    1.6611   -2.3133 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7492    1.8559   -0.3534 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8216    1.2600    0.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4019    2.2663    0.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1512   -2.2966   -3.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6513   -2.9708   -2.6292 N   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0135   -4.2211   -2.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2974   -5.2190   -3.0613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5291   -2.4134   -4.9637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8566   -1.8118   -5.9716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5242   -3.1018   -5.2848 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  8 20  2  0  0  0  0
 20 21  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 22  1  0  0  0  0
 22 23  2  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
$$$$
COVPDB725
  Mrv2015 05262116073D          

 11 12  0  0  0  0            999 V2000
   -3.1012    2.2544    0.5687 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7976    1.7593   -0.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8766    0.8621   -0.0021 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1812    0.4619   -0.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0603   -0.4327   -0.2850 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3469    0.9611   -2.0257 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5533    1.8490   -2.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6420    2.2627   -1.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5997    2.4594   -3.7102 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7038    3.2332   -3.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3450    3.1173   -2.5093 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  8 11  4  0  0  0  0
M  STY  2   1 DAT   2 DAT
M  SAL   1  1   3
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  SAL   2  1  11
M  SDT   2 MRV_IMPLICIT_H                                        
M  SDD   2     0.0000    0.0000    DR    ALL  0       0  
M  SED   2 IMPL_H1
M  END
$$$$
COVPDB726
  Mrv2015 05262116073D          

 13 12  0  0  1  0            999 V2000
    1.0472    6.0494   -0.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414    4.9230   -1.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1374    5.1798   -1.3534 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    3.5091   -1.0386 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2259    2.7399   -1.9875 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6039    2.9016    0.3925 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9672    2.8980    0.8176 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    1.4549    0.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3230    1.4081    0.1154 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9879   -0.0450    0.0746 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2211   -0.9457   -0.9808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8951   -0.7201    1.5058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3965    0.0748   -0.3199 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
$$$$
COVPDB727
  Mrv2015 05262116003D          

 30 33  0  0  1  0            999 V2000
    2.4180    5.0134    0.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4922    4.0406    0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7856    4.2944   -0.7833 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0210    3.2739   -1.0443 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1910    2.3196   -0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1572    2.7640    0.8009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517    2.1222    1.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6566    2.5742    2.5668 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0038    1.0465    2.4780 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3144    0.3943    3.7049 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9279    1.2085    4.9818 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0284    2.7624    4.9550 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7018    2.0443    5.2192 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3902    1.9976    3.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5389    2.9466    6.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3965    0.5863    5.7432 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1568    0.3115    5.0901 N   0  0  1  0  0  0  0  0  0  0  0  0
    0.2228   -0.4972    4.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2843   -1.5103    3.5688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.4272    7.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1401   -0.3331    7.9104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3513    0.9953    7.8577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5576    1.1145   -0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0729   -0.1440   -0.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7402   -0.2975   -0.6258 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6910   -1.3296   -0.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0794   -1.2782   -0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7170   -0.0400    0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9674    1.1538    0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8239    2.6025    0.2918 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  2  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  5 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  1  0  0  0  0
 24 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 23 29  4  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$
COVPDB728
  Mrv2015 05262116103D          

  8  7  0  0  0  0            999 V2000
    1.9416   -1.0892    1.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -0.8158    0.4088 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4499   -1.8626   -0.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6519   -2.6493   -0.5882 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2865   -2.0558   -1.5310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910    0.5336   -0.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2381    1.4625    0.1236 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    0.8536   -1.0273 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
M  END
$$$$
COVPDB729
  Mrv2015 05262115513D          

 17 16  0  0  1  0            999 V2000
   -2.4056    3.2149    2.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2027    2.3400    3.2143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2037    2.3763    4.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3198    3.2645    4.1271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    1.2811    5.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1232    0.1714    4.7158 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2437   -1.0304    5.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1934   -1.8332    5.4169 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6995   -1.2752    6.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3503   -0.2370    3.3595 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3472    0.1553    2.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2954    0.9708    2.3339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0635   -0.3766    1.0791 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3791   -0.1350   -0.2736 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9004   -0.4381   -0.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0543    1.3295   -0.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4487   -1.1299   -1.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
$$$$
COVPDB72
  Mrv2015 05262115573D          

 39 43  0  0  1  0            999 V2000
    4.4250    0.2469   -8.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0794    1.0416   -8.5330 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0491    0.2710   -9.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4687    1.0301   -7.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3941    2.4267   -9.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6568    2.6288  -10.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0164    3.8897  -10.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1823    4.9815  -10.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9935    4.8109   -8.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5340    3.5635   -8.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2883    5.8459   -7.8850 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9962    5.7611   -6.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0297    6.7955   -6.0083 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7155    4.6133   -6.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5725    3.9102   -7.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2388    2.7470   -6.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0936    2.2846   -5.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2810    2.9871   -4.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5849    4.1383   -4.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2002    2.5399   -3.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4791    3.2577   -2.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2421    2.3833   -0.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9376    4.5606   -1.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2680    5.4506   -2.6665 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0785    4.9137   -0.4081 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8079    4.0484    0.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    2.7798    0.3394 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8566    1.2940   -2.7634 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8741    1.1917   -1.4600 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5113    0.0183   -0.6958 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9152   -1.3123   -1.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4884   -2.4954   -0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9585   -2.4883   -0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2812   -1.2005   -0.1315 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9863    0.0501   -0.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8969   -1.1949    0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3116   -2.2962    0.2688 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0903   -0.0484    0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2502   -0.0335    0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 18 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 21 23  4  0  0  0  0
 23 24  1  0  0  0  0
 23 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 20 28  4  0  0  0  0
 28 29  4  0  0  0  0
 22 29  4  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 30 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  2  0  0  0  0
M  END
$$$$
COVPDB730
  Mrv2015 05262115503D          

 16 16  0  0  1  0            999 V2000
    1.7599   -4.3478   -0.6408 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7960   -3.5793    0.2702 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.4507   -4.1734    1.6396 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0269   -2.2218   -0.2719 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1615   -2.2796   -1.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8009   -1.0638    0.0701 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3372    0.2301    0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9024    0.3777   -0.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1797    1.3930    0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6416    2.7127    0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6186    2.9441   -0.1466 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4486    3.8585    0.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8195    3.7277    0.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3839    2.4484    0.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5805    1.2984    0.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2116    0.1618    0.6158 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
  9 15  4  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$
COVPDB731
  Mrv2015 05262115503D          

 21 22  0  0  1  0            999 V2000
   -3.0918   -3.1094    2.3903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6101   -1.8709    1.6598 B   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3945   -0.8266    2.4592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1444   -1.5841    0.1061 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2323   -0.8049   -0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9397   -0.8158    0.1699 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7139   -1.1399   -0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5443   -2.2303   -0.9350 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3563   -0.2048   -0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0633    1.1461   -0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0371    2.1524   -0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3385    1.8296   -0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6602    0.4998    0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6889   -0.5347    0.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1421   -1.9010    0.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0251   -2.0939    2.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1449   -1.9020    2.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0366   -2.0989    4.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8073   -2.4874    4.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6835   -2.6717    4.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7928   -2.4767    2.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
M  END
$$$$
COVPDB732
  Mrv2015 05262115503D          

 17 17  0  0  1  0            999 V2000
    1.7402   -5.4531   -2.2211 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0626   -4.8621   -2.7197 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.4767   -5.0682   -4.1820 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9812   -3.9579   -1.6924 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4553   -3.8859   -2.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4329   -2.6428   -1.6749 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9942   -1.9526   -0.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9747   -2.4727    0.5569 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6270   -0.5910   -0.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5334    0.2164   -1.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3002    1.5851   -1.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1601    2.1765   -1.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2523    1.4003   -0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4437    0.0037   -0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3791   -0.7658    0.5518 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0415   -0.5864   -0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3863   -0.4293    2.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
$$$$
COVPDB733
  Mrv2015 05262116083D          

 23 25  0  0  1  0            999 V2000
   -4.3405   -7.6606    5.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1967   -6.6507    5.1885 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1754   -6.8816    6.1581 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5721   -6.7802    3.7698 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5301   -5.6713    3.3862 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2536   -5.8474    2.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5819   -5.1441    1.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6398   -4.7417    0.1372 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0732   -3.0005    0.4961 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8200   -2.7987    1.8224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -1.4761    1.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6953   -1.3100    0.1787 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0464   -2.3834   -0.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -0.2737   -0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9872    0.8360    0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4187   -0.2054   -1.7032 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8995   -4.8985    1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3765   -5.4388    2.2969 N   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3619   -6.2620    2.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4219   -6.6311    2.0867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6384   -4.2863    0.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0946   -3.8864   -0.9665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625   -4.0773    0.3619 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  7 17  2  0  0  0  0
 17 18  1  0  0  0  0
  5 18  1  0  0  0  0
 18 19  1  0  0  0  0
  4 19  1  0  0  0  0
 19 20  2  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
$$$$
COVPDB734
  Mrv2015 05262116083D          

 30 32  0  0  0  0            999 V2000
    1.4248   -0.1161    0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0139   -0.1228   -0.0022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5492    0.5034    1.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7033    1.9037    1.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1922    2.5747    2.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2806    3.9852    2.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7993    4.8031    1.3664 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5089    6.1976    1.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    6.6844    0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9961    8.0657    0.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8156    8.3881   -0.5977 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6452    9.4666   -0.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7011   10.2800    0.2714 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4472    9.7129   -1.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6240    8.8857   -2.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8025    4.5221    3.4852 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2052    3.7751    4.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0733    2.4244    4.4700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5847    1.8037    3.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4523    0.4018    3.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -0.2501    2.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7151   -1.6007    2.2447 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8388   -2.3911    1.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4312   -3.8716    1.9356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5362   -4.7550    1.5541 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7007    4.3837    5.6669 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5548    3.8384    6.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9515    4.9934    7.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9295    5.8206    7.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3842    5.6409    5.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
  6 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
  5 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
  3 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 17 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
$$$$
COVPDB735
  Mrv2015 05262116083D          

 28 32  0  0  1  0            999 V2000
   13.7166   -4.0732    0.3973 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6742   -3.3719    0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7983   -1.9904    0.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6748   -1.2416    1.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4096   -1.8570    1.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3044   -3.2452    1.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4230   -3.9973    0.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3029   -1.1491    1.9602 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2581   -0.0290    2.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9307    0.3383    2.8675 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2038   -0.6157    2.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0841   -1.4874    1.6553 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7418   -0.6611    2.0137 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2541   -0.5009    0.5620 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0993   -1.8486    1.2735 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8339   -0.0043    0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9390   -0.9938    0.7727 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5901   -2.1030    1.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5786   -0.8762    0.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8117   -1.7404    1.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0514    0.2023    0.0073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    0.4761   -0.1355 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9417    1.2133    0.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4805    1.7072    1.7800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3304    1.3823    0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3735    0.5830   -1.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9959    0.0954   -1.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931   -0.5857   -2.1410 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
$$$$
COVPDB736
  Mrv2015 05262116073D          

 12 11  0  0  1  0            999 V2000
    2.9501    2.9550    0.8434 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5928    2.9317    0.3997 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0495    1.4850    0.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3314    1.4324    0.1145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9834   -0.0263    0.0738 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2076   -0.9215   -0.9798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8868   -0.6996    1.5057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3920    0.0809   -0.3232 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4749    3.5457   -1.0262 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9434    4.8939   -1.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2059    2.7822   -2.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4208    2.9788   -2.2846 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
$$$$
COVPDB737
  Mrv2015 05262116103D          

  9  8  0  0  0  0            999 V2000
    1.6261    0.1094   -0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1916    0.0506   -0.0724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3792    0.6492    1.1148 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8499    0.6992    0.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5200   -0.2042    0.2259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5134    1.5734    1.5857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0422   -0.1088    2.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2286   -1.4502    2.3860 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4445    0.4671    3.3380 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
$$$$
COVPDB738
  Mrv2015 05262116033D          

 27 28  0  0  1  0            999 V2000
    1.1121   -0.3374   -0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2963   -0.3070   -0.1165 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0045    0.6853    0.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4515    1.9196    0.9159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3727    0.4391    0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1760    1.3769    1.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4808    1.0637    1.6097 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6079    2.5842    1.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2444    2.8783    1.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3570    3.4532    2.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0480    3.4465    3.9178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3123    4.2891    2.1856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7254    5.5996    2.6489 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.7812    6.1473    1.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1369    5.7252    4.1674 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5518    5.1714    4.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9601    7.1089    4.6266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8898    7.6229    5.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7809    6.9210    5.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9695    6.0473    6.6041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3909    7.1754    5.2242 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4630    6.7288    6.2142 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1303    6.5433    3.8065 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2626    7.5545    2.8039 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1907    5.7198    3.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0998    4.3588    3.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6960    4.1089    1.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
  9 27  1  0  0  0  0
M  END
$$$$
COVPDB739
  Mrv2015 05262116113D          

 25 25  0  0  1  0            999 V2000
   -3.7669   -3.3720    6.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2594   -3.0341    6.8427 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0914   -1.9158    7.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4545   -4.3411    7.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091   -4.3133    7.2451 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6420   -3.3692    8.1798 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -3.5153    9.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1891   -4.5375   10.0934 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2382   -2.4927   10.4182 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2867   -1.4949   10.8218 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3626   -1.0447    9.9868 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3779   -0.2151   10.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2716    0.1258   11.9553 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3680    0.1794    9.9948 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8100   -4.1545    5.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6634   -5.0160    5.6152 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5618   -3.0949    5.1193 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1520   -2.8351    3.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9969   -3.9829    2.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3751   -3.5436    1.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5171   -4.7298    0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8887   -4.2379   -0.9065 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4057   -4.9565   -1.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6574   -4.3468   -3.0298 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6794   -6.2033   -1.8099 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  5 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
$$$$
COVPDB73
  Mrv2015 05262115443D          

 41 44  0  0  1  0            999 V2000
    3.6166    5.5837    1.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8462    4.8673    2.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545    5.0369    3.6042 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8174    4.0483    2.0414 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    3.3062    2.9301 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1832    4.2079    3.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1849    3.4513    4.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3501    2.9376    3.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2851    2.1604    4.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9808    1.9465    5.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9687    1.2198    6.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5579    0.1214    6.0213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3593    1.5866    7.6883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7805    2.4499    6.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4392    2.1858    7.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5427    2.8131    8.4747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9246    3.2095    5.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4316    2.1159    2.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3701    1.0224    2.8289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0220    2.2298    0.9334 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6705    1.2070    0.1559 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0239    1.8186   -1.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0851    1.0203   -2.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6617   -0.4282   -2.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172   -1.3980   -1.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4881   -1.2768   -0.2378 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1093   -2.4272    0.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1328   -3.7150   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3183   -3.9426   -0.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5639   -5.1989   -1.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6303   -6.2627   -1.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5768   -6.0030   -0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8211   -4.7542   -0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897   -7.5560   -1.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4835   -7.6959   -3.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7591   -8.9676   -3.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4364  -10.1281   -3.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8290  -10.0146   -1.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5654   -8.7432   -1.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1118   -0.0602    0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3428   -0.0270    0.2726 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 10 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  4  0  0  0  0
  7 17  4  0  0  0  0
  5 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
 31 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 34 39  4  0  0  0  0
 26 40  1  0  0  0  0
 21 40  1  0  0  0  0
 40 41  2  0  0  0  0
M  END
$$$$
COVPDB740
  Mrv2015 05262115593D          

 43 44  0  0  1  0            999 V2000
    9.4532   -1.9405   -0.7847 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0747   -1.7342   -0.0893 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9411   -1.8504   -1.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9077   -2.7129    1.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6557   -2.5145    2.0431 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6208   -3.4933    3.0942 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9248   -4.6628    3.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9878   -5.3462    4.1539 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1391   -5.1622    1.9610 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2801   -6.2842    2.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303   -5.0254    1.9988 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9420   -4.8408    0.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6111   -5.8347    0.0269 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6907   -3.5679    0.3143 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0789   -3.1797   -0.9266 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8100   -1.6448   -0.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6716   -1.2359    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3465    0.2788    0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8860    0.5275    0.7052 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3893    1.7244    0.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5647    1.7780    1.5749 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7904    2.8223    0.7219 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9077   -3.5730   -2.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1488   -3.4318   -1.9773 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4079   -4.0520   -3.3104 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2777   -4.4339   -4.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3782   -5.0322   -5.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0040   -4.4186   -5.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0130   -4.1743   -3.6604 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2936   -5.2462   -2.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8009   -6.4826   -2.7625 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212   -5.0098   -2.3989 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6176   -1.2008    2.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6130   -0.8335    3.3999 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4952   -0.4318    2.6376 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3152    0.8655    3.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0314    0.9420    4.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8430    2.3509    4.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    2.5294    5.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5509    3.7723    6.2018 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5225    4.4002    6.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7643    5.5668    7.3878 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3096    3.9666    6.7419 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 15 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
  5 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
M  END
$$$$
COVPDB741
  Mrv2015 05262115443D          

 22 22  0  0  1  0            999 V2000
    1.8428   -6.7449    3.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6687   -5.8537    2.0635 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0341   -6.6766    0.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8371   -4.5639    2.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1336   -3.3847    1.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066   -2.5200    1.2830 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013   -1.2958    0.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0659   -0.7733    0.2817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3129   -0.6360    0.4614 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9198   -1.0933   -0.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3683   -0.5937   -1.2300 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7090   -0.8282   -2.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4528   -1.2606   -0.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2840    0.7838    0.6803 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7050    1.7403   -0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0766    1.4622   -1.1451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8395    3.1416    0.3429 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8481    3.8697   -0.3649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4953    4.2971   -0.5797 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2651    5.6435   -0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9882    6.6920   -0.5025 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6182    5.8373    0.8198 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
$$$$
COVPDB742
  Mrv2015 05262116023D          

 24 24  0  0  1  0            999 V2000
    3.8389   -4.4649   -3.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6602   -3.6895   -2.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1124   -2.9226   -1.4861 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2856   -2.1189   -0.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8541   -2.5050    0.3392 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9524   -0.7847   -1.2822 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1581   -0.0649   -1.5807 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3441    0.4703   -0.5323 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6477    1.7193   -0.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2752    2.6052   -1.4860 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3748    1.9167   -0.4143 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3219    3.1761   -0.4591 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8291    3.0104   -0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6371    2.0124   -0.9878 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6078    2.3841   -2.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1057    1.8929   -0.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3490    4.1789    0.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1873    5.3986    0.1691 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2013    3.7696    1.3998 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1986    4.5834    2.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9084    3.8384    3.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4557    4.0334    3.2989 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9803    3.2891    4.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9274    5.5157    3.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
$$$$
COVPDB743
  Mrv2015 05262116093D          

 39 41  0  0  1  0            999 V2000
   -2.2249   -4.1197    0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3532   -5.5200    0.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2056   -6.3292    0.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0663   -5.7361    0.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1928   -4.3359    0.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9505   -3.4928    0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8918   -2.0918    0.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2080   -1.3170    0.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1924    0.0677    0.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8918    0.6999    0.2064 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3746    0.7460    0.1675 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4962    2.1385   -0.1755 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9148    2.6780    0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3415    2.5124    1.6738 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3545    3.1718    2.6828 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7844    3.0457    1.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0909    2.3507   -1.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5861    3.4562   -1.9021 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1331    1.3007   -2.4747 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0805    0.8572   -3.3513 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8631    1.9172   -4.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1004    1.3284   -4.7789 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9491    2.4028   -5.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2136    2.6095   -4.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2212    1.4873   -3.8044 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1066    0.7559   -3.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9668   -0.3047   -3.2209 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5992   -0.1570   -4.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -1.3719   -4.0748 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2008    0.1809   -5.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8626    1.2421   -5.6386 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9798   -0.6156   -6.6391 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3154   -0.2916   -7.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6840   -1.4711   -8.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9232   -1.5133   -9.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2394   -2.5832  -10.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3237   -3.6345  -10.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0993   -3.6226   -9.8487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7798   -2.5467   -8.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 20 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 34 39  4  0  0  0  0
M  END
$$$$
COVPDB744
  Mrv2015 05262116093D          

 10 10  0  0  0  0            999 V2000
    2.8975    1.8105   -0.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8412    0.6792   -0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1978   -0.5705   -1.4051 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4653   -1.2862   -0.8192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9658   -1.5548   -1.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0570   -2.7359   -2.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3945   -2.2477   -3.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7012   -2.5883   -4.7265 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5232   -1.3082   -3.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275   -0.1309   -2.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
$$$$
COVPDB745
  Mrv2015 05262115563D          

 12 11  0  0  0  0            999 V2000
    0.6030   -0.9120   -0.3785 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.6861   -0.9539    0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9206   -0.5879    1.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4168   -1.4325    2.2119 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5768    0.6594    1.8507 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6320    1.0820    3.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2638    2.5726    3.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0952    2.8578    4.7673 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8324    4.0876    5.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7485    5.0977    4.5363 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6435    4.2256    6.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1086    3.1959    7.3432 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$
COVPDB746
  Mrv2015 05262115493D          

 17 18  0  0  1  0            999 V2000
    0.8402   -1.1337   -0.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0558   -0.2333    0.3503 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4778   -0.0405    0.3799 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1472   -0.3915    1.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1376    0.8050    2.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7814    1.2123    2.9810 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774    2.3931    3.8095 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8012    2.6968    4.1764 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4355    1.5310    4.7020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5938    3.2335    2.9533 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8776    3.6828    3.3836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8427    4.3953    2.2469 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5299    4.7388    1.0437 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6246    3.9702    1.9499 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2670    3.5523    3.1780 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4920    5.0932    1.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8097    4.6056    1.0955 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  7 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
$$$$
COVPDB747
  Mrv2015 05262115563D          

  5  5  0  0  1  0            999 V2000
    1.9502   -0.0601    0.1213 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.2089    0.2450   -0.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5359    1.3308    0.1500 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0435    1.3770    0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3503    0.8665    1.2364 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
$$$$
COVPDB748
  Mrv2015 05262116083D          

 12 13  0  0  0  0            999 V2000
   -1.6829    1.6251   -4.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1190    0.6948   -4.8111 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2809   -0.4727   -4.2718 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9414   -0.3637   -3.1582 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2245    0.9333   -2.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1114    1.6122   -1.6290 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5700    2.3323   -0.3899 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8688    0.8552    0.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2863    0.2420   -0.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4268   -0.8423    0.5391 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5539   -0.9075    1.3837 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3571    0.0998    1.2164 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
M  STY  2   1 DAT   2 DAT
M  SAL   1  1   2
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  SAL   2  1  10
M  SDT   2 MRV_IMPLICIT_H                                        
M  SDD   2     0.0000    0.0000    DR    ALL  0       0  
M  SED   2 IMPL_H1
M  END
$$$$
COVPDB749
  Mrv2015 05262115583D          

 37 36  0  0  1  0            999 V2000
    4.0851   -4.2710    5.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1281   -3.3107    5.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4498   -3.1834    3.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3673   -2.3818    2.9237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7038   -2.2535    1.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6209   -1.6283    0.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5816   -2.2911    0.4006 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7928   -0.3709    0.1399 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9122    0.3536   -0.7333 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5077    0.6600   -0.1332 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5057    1.3442    1.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4123    1.4348   -1.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6872    1.5423   -1.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9788    1.6628   -2.3913 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1553    2.4324   -0.2559 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1405    3.4480   -0.4906 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9692    4.6183    0.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6362    5.4105    0.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3382    6.2691    1.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2514    7.0752    1.8561 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1679    6.2376    2.3058 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0479    5.5965    1.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1101    6.8462    3.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4547    2.7657   -0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1174    2.5115   -1.3954 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8580    2.3544    0.8750 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9477    1.4848    1.2043 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3744    1.9841    0.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3356    0.8884    0.1914 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6630    1.5171   -0.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6513   -0.2449    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7606    1.1816    2.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8772    0.3295    2.9234 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3916    1.8261    3.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3784    3.3543    3.7133 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9449    1.0471    4.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9314   -0.4002    4.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
M  END
$$$$
COVPDB74
  Mrv2015 05262116023D          

  5  4  0  0  0  0            999 V2000
    0.7300   -0.5802    0.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4062    0.8118    0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8087    1.2219   -0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1253    2.5463   -0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2707    2.8749   -0.7035 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
$$$$
COVPDB750
  Mrv2015 05262115583D          

 12 12  0  0  1  0            999 V2000
   -4.4107    2.1192    0.5571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2200    1.6380    0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2591    2.3406   -0.1738 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1121    1.5926   -0.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5498    0.1486   -0.0087 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6650   -0.5419    1.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276   -1.9204    1.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9272   -2.0863    2.3144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7365   -3.0469    0.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442   -4.2715    0.8836 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0809   -2.9605   -0.3360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8706    0.3898    0.4405 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  5 12  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
$$$$
COVPDB751
  Mrv2015 05262116033D          

 23 23  0  0  1  0            999 V2000
    4.7090   -0.9840    1.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4582   -0.7421    0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3093   -0.0080    0.8978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0630    0.2001   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1232    0.8706    0.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3105    1.1457   -0.2186 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1648    2.2281    0.1894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3795    2.4486   -0.9921 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1263    2.4144   -2.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3534    3.7436   -2.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4739    4.4802   -3.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1215    4.0879   -3.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0744    2.9764   -4.9084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6269    3.0131   -6.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6173    1.8867   -7.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8999    1.6893   -7.7185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0014    1.1110   -7.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1314    0.5407   -5.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5568   -0.0124   -5.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6607   -0.7136   -4.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0129   -1.2422   -3.9131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7247   -0.7923   -2.8523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5153   -2.1310   -4.6386 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
$$$$
COVPDB752
  Mrv2015 05262116083D          

 19 20  0  0  0  0            999 V2000
   -4.0605    5.2040    1.5869 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.7601    3.6903    1.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1367    3.5890    1.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8085    2.3698    1.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1292    1.2041    0.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7804    0.0299    0.8229 N   0  3  0  0  0  0  0  0  0  0  0  0
   -6.2510   -0.9674    0.5214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0288   -0.0893    1.0326 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.7487    1.3354    0.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0422    2.5652    0.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6725    2.6348    0.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1890    3.7357   -0.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8956    1.5112    0.2254 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6038    1.4190   -0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2649    0.2990   -0.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0548    0.1501   -1.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9920    1.0803   -1.1398 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069    2.1685   -0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4038    2.3601    0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  5  9  4  0  0  0  0
  9 10  4  0  0  0  0
  2 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
M  CHG  2   6   1   8  -1
M  END
$$$$
COVPDB753
  Mrv2015 05262115533D          

 33 36  0  0  0  0            999 V2000
   -0.9530    7.7589    7.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9886    6.4509    6.9926 N   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2048    6.5932    5.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4476    5.2057    4.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3521    4.2310    5.1936 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5605    2.8665    4.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6117    2.7948    3.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7824    1.3395    2.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8784    1.3168    1.0988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0475    0.0548    0.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3617   -0.4503    0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6104   -1.7279   -0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5418   -2.5373   -0.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2265   -2.0220   -0.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0442   -0.7210    0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4570   -0.2267    0.1252 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1864   -0.6456   -0.9633 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5799    1.1420    0.1236 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0743   -0.7000    1.2548 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7807   -3.8383   -0.9984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3094   -4.2304   -2.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5945   -5.5367   -2.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3181   -6.1758   -3.8731 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6199   -5.6543   -5.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8359   -7.4188   -3.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4380   -7.5909   -2.5649 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2999   -6.4255   -1.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7437   -6.0239   -0.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4749   -4.7465   -0.2450 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3878   -6.8342    0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9555   -7.5574    0.8301 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0601    4.1581    6.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1705    5.5567    7.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 23 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 20 29  4  0  0  0  0
 28 30  1  0  0  0  0
 30 31  3  0  0  0  0
  5 32  1  0  0  0  0
 32 33  1  0  0  0  0
  2 33  1  0  0  0  0
M  END
$$$$
COVPDB754
  Mrv2015 05262115493D          

 15 14  0  0  0  0            999 V2000
    2.8898   -5.7975    5.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9935   -4.3753    4.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8129   -4.0978    3.7444 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161   -2.6760    3.0168 P   0  0  1  0  0  0  0  0  0  0  0  0
    1.9625   -1.5997    4.0019 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332   -2.6034    1.9858 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368   -3.5940    0.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3245   -3.4152    0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0991   -2.4319    2.0366 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2965   -0.8106    1.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8983   -0.4193    0.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8528    0.9553   -0.3557 N   0  3  2  0  0  0  0  0  0  0  0  0
   -2.0993    1.1303   -1.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483    1.0883   -1.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8168    2.0611    0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  CHG  1  12   1
M  END
$$$$
COVPDB755
  Mrv2015 05262116103D          

 46 49  0  0  1  0            999 V2000
   -2.4090   -4.1112    0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3534   -3.0935    0.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0249   -3.3421    0.1082 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6230   -2.2086    0.0469 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2408   -1.1769   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5204   -1.7182    0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1164    0.1854   -0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7704    1.0686   -0.1599 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4347    0.5159   -0.0424 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9872    1.8388   -0.0299 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4024    1.7682    0.6338 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1782    3.2162    0.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289    1.1965    2.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0507    2.3714   -1.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7622    1.7560   -2.2473 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3873    3.5192   -1.7777 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5770    4.2293   -3.0177 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6852    3.6338   -4.1677 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2758    3.8823   -5.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3775    3.1047   -5.9678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9457    3.2997   -7.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212    4.2801   -8.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3319    5.0653   -7.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7680    4.8733   -6.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7035    4.0600   -4.0714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    3.1464   -4.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0561    3.7831   -4.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6713    4.2836   -3.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3582    5.4375   -3.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8151    6.0247   -2.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8235    6.7919   -1.6715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4989    7.0286   -1.9354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9205    6.5975   -2.9599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7842    7.8099   -1.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5488    7.5364   -0.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2221    6.3047   -0.8275 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0948    6.5640   -1.9319 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5761    5.7243   -2.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1473    6.3542   -3.8223 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9751    5.8960    0.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0489    5.5395    1.6937 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8364    5.2460    3.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1848    3.9887    3.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6626    3.5044    2.6027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7620    4.3186    1.5514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5347    4.0596    0.6019 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 18 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 17 38  1  0  0  0  0
 38 39  2  0  0  0  0
 36 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 41 45  1  0  0  0  0
 45 46  2  0  0  0  0
M  END
$$$$
COVPDB756
  Mrv2015 05262116013D          

 15 16  0  0  0  0            999 V2000
   -0.9098   -6.3237   -0.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9110   -4.8485   -0.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4633   -4.2006    0.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4768   -2.8467    0.4911 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9591   -2.0494   -0.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3885   -2.6390   -1.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3827   -4.0403   -1.7417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0075   -0.6567   -0.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1489    0.0547   -0.3697 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.4013   -0.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9951    2.1364   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9638    3.6087    0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0947    4.3840   -1.4290 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    1.4190    0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2262    0.0200   -0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  4  0  0  0  0
 14 15  4  0  0  0  0
  8 15  4  0  0  0  0
M  END
$$$$
COVPDB757
  Mrv2015 05262116133D          

 34 37  0  0  0  0            999 V2000
    0.7433    0.1698    1.4128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3393    0.0274    1.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5664   -0.1338    0.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4212    0.9807    0.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7509    0.8074    0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0545   -1.4172    0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3811   -1.5796   -0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2512   -0.4723   -0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6662   -0.6536   -0.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0720    0.1511   -1.7916 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2819    1.3659   -1.5958 S   0  0  1  0  0  0  0  0  0  0  0  0
   -8.5442    0.7208   -0.8417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6954    2.5295   -0.6591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7841    2.0613   -3.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9671    3.0163   -3.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3744    3.6109   -4.9985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3402    4.8098   -5.7891 S   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5731    4.8197   -7.3762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7922    4.5162   -5.4867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7081    6.3234   -5.1990 F   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0026    1.6779   -3.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4248    2.2840   -4.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6159    3.2525   -5.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5773   -0.0816   -3.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2727   -0.9334   -3.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3937    0.5474   -3.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8905    0.3049   -4.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5651   -0.5732   -5.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7782   -1.1934   -5.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0560   -0.8454   -6.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7456   -1.7333   -7.7762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9043   -2.3013   -7.3611 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4398   -2.0548   -6.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5254   -2.6156   -5.8642 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  3  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  5  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 14 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 16 23  4  0  0  0  0
 10 24  1  0  0  0  0
 24 25  4  0  0  0  0
 24 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 25 29  4  0  0  0  0
 28 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 29 33  4  0  0  0  0
 33 34  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  32
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB758
  Mrv2015 05262116133D          

 32 35  0  0  0  0            999 V2000
    0.5244   -0.4989    3.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -1.6375    4.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8425   -2.8345    3.6214 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5087   -2.9872    2.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7242   -1.8735    1.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2232   -0.6046    1.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4720    0.5971    1.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1186    0.4617   -0.2427 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3527    0.4660   -1.4516 S   0  0  2  0  0  0  0  0  0  0  0  0
    3.2471   -0.8565   -1.2829 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3133    1.7289   -1.2069 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7018    0.5070   -3.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1945   -0.6720   -3.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7289   -0.6703   -5.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0954   -2.1575   -5.7314 S   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5690   -3.0962   -4.6127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9962   -1.8362   -6.8618 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3439   -3.0031   -6.4411 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7141    1.7013   -3.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    1.7043   -5.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7831    0.5200   -5.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1877    0.3805   -0.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8481    1.5241   -1.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8866   -0.8420   -0.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -0.9153   -0.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9108    0.2340   -1.4162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2054    1.4674   -1.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2714    0.1758   -1.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9028    1.3373   -2.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2086    2.4976   -2.3746 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9004    2.5952   -2.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3466    3.7099   -2.1576 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 12 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 14 21  4  0  0  0  0
  8 22  1  0  0  0  0
 22 23  4  0  0  0  0
 22 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 23 27  4  0  0  0  0
 26 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 27 31  4  0  0  0  0
 31 32  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  30
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB759
  Mrv2015 05262116093D          

 16 15  0  0  1  0            999 V2000
    2.8968    2.9044    0.9021 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5323    2.9149    0.4754 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0324    1.4473    0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3764    1.3840    0.2381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0094   -0.0800    0.1467 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2358   -0.9383   -0.9371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8756   -0.8004    1.5498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4260    0.0258   -0.2229 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4089    3.5502   -0.9450 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0356    3.6440   -1.3371 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0402    4.9711   -1.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379    5.5999   -2.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1486    6.6444   -2.4509 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605    5.0468   -3.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8802    5.4300   -4.7654 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2651    4.1813   -3.5434 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
$$$$
COVPDB75
  Mrv2015 05262115573D          

 33 36  0  0  0  0            999 V2000
    1.2457    0.0665   -0.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0670   -0.1427    0.2237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3640    0.6725    1.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8986    1.9602    1.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2717    2.7895    2.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7713    4.0316    1.8983 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1526    4.8478    2.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0398    4.4196    4.1920 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5501    3.1939    4.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4634    2.7499    5.8073 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4631    3.3892    7.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0410    2.5931    8.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9840    3.1135    9.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3490    4.4491    9.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    4.9094   10.8676 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    5.2635    8.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1988    6.8840    8.8303 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8307    4.7316    7.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1283    2.3324    3.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5645    1.0531    3.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2014    0.2100    2.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3366   -1.0176    2.8786 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -1.9411    3.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3540   -1.8093    4.1837 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5457   -3.0308    4.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8851   -3.1281    4.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428   -4.2429    4.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6266   -5.4912    3.8499 N   0  0  2  0  0  0  0  0  0  0  0  0
    3.3051   -6.6258    4.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2614   -7.9529    3.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8097   -7.7580    2.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0773   -6.5941    1.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1570   -5.2958    2.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 14 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 11 18  4  0  0  0  0
  9 19  4  0  0  0  0
  5 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
  3 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 33  1  0  0  0  0
M  END
$$$$
COVPDB760
  Mrv2015 05262116093D          

 17 17  0  0  0  0            999 V2000
    1.9044    5.8173    2.7054 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9562    5.0160    1.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4445    3.6840    1.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8367    3.2271    2.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1796    2.1685    2.9480 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690    2.8837    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1412    1.4564    0.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2869    1.4326    0.1408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9629   -0.0145    0.0764 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2178   -0.9314   -0.9814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8819   -0.6887    1.5080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3699    0.1303   -0.3134 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    3.4830   -0.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5930    4.7568   -0.6825 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310    5.5338    0.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0174    6.7399    0.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4697    7.8434    0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  3  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
  6 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
  2 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  3  0  0  0  0
M  END
$$$$
COVPDB761
  Mrv2015 05262115423D          

 18 18  0  0  1  0            999 V2000
    5.9781    0.9141   -4.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7821   -0.0331   -4.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0078   -0.9492   -3.3014 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4225   -2.3121   -3.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8666   -0.5129   -1.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9791   -1.3090   -1.0341 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6843    0.8197   -1.7387 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4123    1.4801   -0.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9403    2.7750   -0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6839    3.5215    0.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8878    2.9808    1.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3332    1.6847    1.6317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    0.9454    0.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4706    1.1036    2.7078 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2829   -0.0222    3.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1317    0.6923    2.1379 N   0  0  1  0  0  0  0  0  0  0  0  0
    0.3439   -0.2518    2.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2871    1.8523    1.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
$$$$
COVPDB762
  Mrv2015 05262115503D          

 16 16  0  0  1  0            999 V2000
   -1.3751   -1.5477   -2.4926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966   -2.2990   -1.8688 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.7934   -3.0148   -2.7899 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0395   -2.2405   -0.2368 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7598   -3.5004    0.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8126   -1.0666    0.0298 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3387    0.2197    0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8988    0.3603   -0.1098 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1774    1.3788    0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6359    2.6972    0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6260    2.9300   -0.1482 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4405    3.8418    0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8113    3.7111    0.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3770    2.4320    0.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5762    1.2834    0.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2085    0.1485    0.6076 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
  9 15  4  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$
COVPDB763
  Mrv2015 05262116093D          

 19 19  0  0  0  0            999 V2000
    1.8954    5.7949    2.6940 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9533    4.9932    1.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5235    5.5204    0.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0752    6.8953    0.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5707    6.9268    0.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1035    8.1876    0.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5724    9.2858    0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5820    4.7350   -0.6885 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1349    3.4623   -0.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5680    2.8649    0.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1341    1.4430    0.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2976    1.4244    0.1713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9778   -0.0203    0.0959 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2365   -0.9235   -0.9752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8817   -0.7238    1.5129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3877    0.1298   -0.2829 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4429    3.6629    1.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8266    3.2029    2.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1347    2.1649    2.9108 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
  3  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 10 17  4  0  0  0  0
  2 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
$$$$
COVPDB764
  Mrv2015 05262115453D          

 41 42  0  0  1  0            999 V2000
    1.7204    0.0646   -0.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3645    0.5176    0.0062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4402    0.5325    1.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0041    0.1677    2.2276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8290    1.0099    0.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7364    0.0252    1.4793 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0756    0.2072    1.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6270    1.2793    1.2674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8866   -0.8739    2.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0929   -1.9134    1.2475 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7039   -3.0987    1.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0612   -3.3828    2.6897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9614   -4.0654    0.4299 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6020   -4.5339   -0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6600   -5.3827    0.7104 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2831   -5.5903    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2494   -6.7516    1.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9771   -3.4966   -0.4126 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8967   -3.0436   -1.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8393   -2.9976   -2.3584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1052   -2.5395   -2.3488 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.4514   -3.3323   -3.4941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3736   -3.3694   -2.3974 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.6365   -2.6798   -2.6687 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3510   -3.0688   -3.6219 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9671   -1.6200   -1.8883 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0844   -0.7445   -2.0948 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.2604    0.1924   -0.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4075   -0.5324    0.5252 C   0  0  2  0  0  0  0  0  0  0  0  0
  -13.6717   -1.4352    0.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3940    0.4836    1.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8824    0.0241   -3.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7330    0.4951   -3.5494 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8421    0.2081   -4.3476 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2317   -0.1020   -4.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9422    0.5034   -5.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8465    0.5073   -6.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5399    0.6985   -5.6708 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.0601    2.1011   -5.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8632    2.4073   -6.2238 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7374    3.0211   -5.1600 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 34 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
M  END
$$$$
COVPDB765
  Mrv2015 05262115493D          

 16 17  0  0  1  0            999 V2000
    0.5691    1.0412   -0.7228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1014    0.0513    0.0749 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3150    0.1721    0.2635 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1859   -0.9708   -0.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4477   -1.9387    0.7430 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2239   -3.0788    0.3084 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3736   -4.0946    1.4725 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9163   -3.4327    2.6133 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2855   -5.2853    1.0599 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5913   -6.1596    0.1713 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6189   -4.8030    0.4176 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4774   -4.3143    1.4504 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4093   -3.6751   -0.6416 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5323   -2.6441   -0.1335 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9840   -4.1852   -2.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7020   -3.0907   -2.9132 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$
COVPDB766
  Mrv2015 05262115493D          

 14 15  0  0  1  0            999 V2000
   -1.1378    4.8512    1.3553 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0058    6.0407    0.9260 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7885    6.8321    1.7583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1171    6.3593   -0.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9723    7.6978   -0.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0843    8.0277   -2.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3175    7.0186   -3.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4991    5.6900   -2.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3866    5.3658   -1.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3499    7.3198   -4.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0399    7.2355   -5.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1334    7.5816   -6.5785 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9409    7.0645   -7.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3760    6.4927   -7.4812 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
$$$$
COVPDB767
  Mrv2015 05262116093D          

 33 36  0  0  0  0            999 V2000
   -4.5435   -0.9763    8.2020 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.7092   -0.3146    7.5053 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.1831   -0.9997    6.7222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4860    1.0183    7.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2592    1.7037    8.6392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1188    3.0803    8.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1985    3.8076    8.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3988    3.1948    7.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5285    1.7900    6.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4729    1.0234    5.7521 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6088    2.2898    4.9134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7373    3.5511    5.3693 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5112    4.0012    6.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3932    5.2333    6.5739 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1978    2.0132    3.8304 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4010    2.7757    3.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4149    3.3038    2.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    2.1815    1.1516 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1012    1.4624    1.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1044    0.9428    2.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803    2.7023   -0.5379 S   0  0  2  0  0  0  0  0  0  0  0  0
    2.7081    3.3888   -0.7858 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1215    3.7668   -0.8431 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0934    1.2534   -1.6524 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1627    0.1675   -1.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0393   -1.0529   -2.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0613   -0.6278   -3.7764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9913    0.4519   -4.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1298    1.6807   -3.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9487    3.7583    9.9414 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1082    4.2068    9.3593 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3086    4.8301   10.5182 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2825    2.9341   10.9908 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 13 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
  6 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
$$$$
COVPDB768
  Mrv2015 05262116133D          

 18 19  0  0  0  0            999 V2000
   -8.5196    6.0130    1.8213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1828    5.5455    2.2058 P   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3684    6.7375    2.8604 O   0  5  0  0  0  0  0  0  0  0  0  0
   -7.3168    4.3804    3.2724 O   0  5  0  0  0  0  0  0  0  0  0  0
   -6.4226    5.0006    0.9171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9630    4.6468    1.2504 B   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8818    5.6976    0.9926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5896    3.2610    2.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6101    2.4649    1.3977 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034    2.7376    1.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7353    1.6336    0.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7528    0.7833    0.4133 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8463    1.3018    0.8754 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3777    1.4013    0.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0730    0.1665   -0.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4421    0.0710   -0.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1522    1.6130   -0.0467 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6489    2.3469    0.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  9 13  4  0  0  0  0
 11 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 14 18  4  0  0  0  0
M  CHG  2   3  -1   4  -1
M  END
$$$$
COVPDB769
  Mrv2015 05262115453D          

 11 10  0  0  0  0            999 V2000
    0.1247   -0.8525   -4.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0640   -0.4623   -3.5891 N   0  3  1  0  0  0  0  0  0  0  0  0
   -1.9903    0.3754   -4.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8172   -1.7018   -3.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6325    0.3608   -2.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3268   -0.3092   -1.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7397    0.7766    0.0434 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0355   -0.4532    1.1691 S   0  0  1  0  0  0  0  0  0  0  0  0
    1.9123   -0.0621    2.7179 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6086   -1.9868    0.9825 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7540   -0.2133    0.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
M  CHG  1   2   1
M  END
$$$$
COVPDB76
  Mrv2015 05262116143D          

 33 37  0  0  1  0            999 V2000
   -0.2259    0.0192   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1169    0.0493   -0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9541   -1.0789   -0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3721   -2.1840   -0.2042 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3508   -1.0839    0.1024 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0574   -2.3525    0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5104   -2.4298   -0.3094 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3284   -1.1761    0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5552    0.1011   -0.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1330    0.1262    0.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2084   -3.6191    0.1110 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0444   -4.1845    1.2729 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7995   -5.2891    1.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5231   -5.4026    0.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1334   -4.3191   -0.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -6.2948   -0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9294   -7.3728    0.3748 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0193   -6.0362   -1.5302 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6326   -4.9617   -2.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6850   -4.1032   -1.8031 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8061   -6.1154    2.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4800   -7.4840    2.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5319   -8.3153    3.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9191   -7.7941    4.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1763   -6.4120    4.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1217   -5.5769    3.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0300   -8.6205    5.8790 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3057   -9.1158    5.9822 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2741   -8.4326    6.7501 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5872   -8.9295    6.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9394  -10.1215    6.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9754  -10.8216    5.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6624  -10.3237    5.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
 14 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 13 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
M  END
$$$$
COVPDB770
  Mrv2015 05262115423D          

 27 29  0  0  0  0            999 V2000
   -1.8321   -0.2397   -6.5343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586   -1.5699   -6.3161 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8143   -2.8939   -6.5099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0976   -1.5762   -5.9770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0202   -2.1380   -6.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3934   -2.1371   -6.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8460   -1.6027   -5.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9291   -1.0746   -4.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4103   -0.6702   -3.2205 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6428   -1.0077   -1.7194 S   0  0  2  0  0  0  0  0  0  0  0  0
   -6.7849   -1.3094   -0.6326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8098    0.2755   -1.2361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5952   -2.4195   -1.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2168   -2.4908   -1.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6163   -3.7227   -2.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4896   -4.6909   -2.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0917   -3.9812   -2.5215 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8947   -4.0379   -1.7340 S   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3643   -5.1618   -2.7511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0579   -2.6903   -1.9892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7002   -4.5999   -0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0944   -3.8813    0.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1763   -4.2963    2.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5253   -5.4372    2.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3065   -6.1672    1.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3883   -5.7546    0.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5552   -1.0271   -4.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
  8 27  4  0  0  0  0
  4 27  4  0  0  0  0
M  END
$$$$
COVPDB771
  Mrv2015 05262116093D          

 47 53  0  0  0  0            999 V2000
    2.5730  -12.0341    0.4192 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1634  -11.1770    1.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9948   -9.8512    1.0810 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5777   -8.9514    2.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3977   -7.6310    1.7033 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0841   -7.3783    1.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0816   -5.9349    0.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5652   -5.0298    1.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7835   -3.6755    1.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5167   -3.1806    0.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7730   -1.7546   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4181   -0.9782    0.0172 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4754    0.3913    0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5998    1.0323   -0.0661 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103    1.1072    0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7268    2.5053    0.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9342    3.2190    0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1787    2.5633    0.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1969    1.1518    0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9622    0.4565    0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3940    0.3940   -0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4376   -0.9024    0.3741 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4466    0.8695   -0.5030 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3672    3.3597    0.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2236    3.2891    1.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9716    2.5004    2.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8769    2.4759    3.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0589    3.2365    3.7142 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9237    3.2492    4.7586 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3391    4.0110    2.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4177    4.0602    1.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6935    4.8830    0.4743 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8831    5.0062   -0.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2534    5.9192   -1.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4563    6.0595   -2.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7706    6.8862   -3.6437 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3051    5.2649   -2.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9371    4.3550   -1.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7017    4.2222   -0.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0046   -4.0796   -0.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2094   -5.4357   -0.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3383   -9.4318    3.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368   -8.8173    4.4412 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8668   -9.7863    5.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135  -10.9797    4.8639 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138  -10.7850    3.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9179  -11.6496    2.6195 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 18 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  1  0  0  0  0
 28 30  4  0  0  0  0
 30 31  4  0  0  0  0
 25 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  2  0  0  0  0
 35 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 24 39  4  0  0  0  0
 33 39  4  0  0  0  0
 10 40  4  0  0  0  0
 40 41  4  0  0  0  0
  7 41  4  0  0  0  0
  4 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 42 46  4  0  0  0  0
 46 47  4  0  0  0  0
  2 47  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  45
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB772
  Mrv2015 05262116103D          

 13 14  0  0  0  0            999 V2000
    2.2189    1.5495   -3.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    1.2484   -1.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6952   -0.4843   -1.6016 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9977   -0.6597    0.4731 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6281    0.1915    1.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0193   -0.4098    1.2776 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.4445    1.6482 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5286    1.9132    2.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    1.0404    2.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131    3.1834    2.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9844    3.5467    3.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0707    2.6459    3.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9013    1.3740    2.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  6  9  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  9 13  4  0  0  0  0
M  END
$$$$
COVPDB773
  Mrv2015 05262115523D          

 22 26  0  0  1  0            999 V2000
    1.2850    0.4099   -0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1267    0.0916   -0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1345    0.9882   -0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9780    2.4554   -0.1617 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5407    0.5483    0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4749    1.7327   -0.0474 N   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1926    2.6899    1.0990 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6573    3.0442    1.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9964    3.9248    0.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5262    4.3307   -0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3678    3.5596   -1.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2624    2.4599   -1.3637 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7424    2.9262   -1.4597 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5175    4.3724   -1.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9938    4.7672   -2.7965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1177    5.5691   -0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9016    5.8800    1.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2367    4.8705    1.8806 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3236    7.1062    1.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9889    8.0169    0.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2202    7.6966   -0.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7835    6.4637   -0.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
  9 18  4  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 16 22  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  18
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB774
  Mrv2015 05262116013D          

 32 33  0  0  0  0            999 V2000
   -4.8764    2.4132    1.0331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9493    0.9730    1.0577 S   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7552   -0.1255    0.2123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8367    0.4940    2.5837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3616    1.2813    0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1919    0.9966    1.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0986    1.2079    0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2713    0.9729    1.1859 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5463    0.0142    2.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7169   -0.8701    2.4389 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8821   -0.0136    2.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0589    1.3339    3.8657 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1981    1.7376   -0.7846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9526    2.0353   -1.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2388    1.8173   -0.9933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2797    2.1510   -1.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2281    2.4791   -2.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2496    2.8503   -3.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8024    4.1328   -2.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8660    4.5963   -3.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4104    3.7907   -4.6853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4304    4.3326   -5.4225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4781    3.6966   -6.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6699    2.4624   -5.9170 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4541    4.4934   -6.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7381    5.0326   -8.3040 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.8505    2.5086   -4.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7887    2.0198   -4.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1493    0.3920   -4.4340 S   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1226   -0.4514   -5.5610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6740    0.5020   -5.0532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0935   -0.4836   -3.0917 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
  5 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  3  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 27  4  0  0  0  0
 27 28  4  0  0  0  0
 18 28  4  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  2  0  0  0  0
M  END
$$$$
COVPDB775
  Mrv2015 05262116083D          

 32 36  0  0  1  0            999 V2000
    2.0392   -0.0834    0.0924 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.2846   -0.2037   -0.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4666    1.1369   -0.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7996    1.1131   -1.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9356    1.4821   -2.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1902    1.4564   -3.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9594    0.7249   -0.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2326    0.7005   -1.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3972    0.3089   -0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7879    0.5300   -0.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3608    1.0405   -2.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7067    1.0322   -3.1863 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6995    0.6875   -4.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1141    0.6564   -5.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7623    0.1398   -2.4257 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.1484    0.2811   -3.1329 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.1386   -0.2342   -4.6083 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.7483   -1.7517   -4.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4116   -0.3808   -2.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4705   -0.1245   -3.6607 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.6459   -0.0191   -4.9946 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.0957   -0.8833   -6.0423 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6744   -1.1189   -3.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4382   -1.0896   -2.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4871   -0.1646   -2.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1546   -0.1040   -0.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7730   -0.9559    0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7295   -1.9013   -0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0963   -1.9665   -1.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3209   -2.7432    1.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9265   -2.7404    2.1152 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2643   -3.5793    0.9494 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  4  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
$$$$
COVPDB776
  Mrv2015 05262116093D          

 13 14  0  0  0  0            999 V2000
   -1.5108    3.6632   -0.0633 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0470    2.5971   -1.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0949    3.1395   -2.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6350    2.4278   -3.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1219    1.1657   -3.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0828    0.6167   -2.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157    1.2925   -1.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4908    0.6526   -0.8867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1682    1.2941    0.0188 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1714    0.8314    0.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2876   -0.7142    0.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9769   -1.2868   -0.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1687   -0.6442   -1.0825 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
M  END
$$$$
COVPDB777
  Mrv2015 05262115503D          

 24 25  0  0  0  0            999 V2000
    0.8866   -1.1655    0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2857   -0.3359    0.1202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6044    0.4137    1.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9018   -0.2233    2.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2829    0.5263    3.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4114    1.9189    3.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1229    2.5773    2.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276    3.9334    2.1884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2744    4.7161    2.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7051    1.8320    1.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4088    2.5356   -0.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8958    3.2846   -0.1996 N   0  0  2  0  0  0  0  0  0  0  0  0
    1.0193    4.1164   -1.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3679    4.8797   -1.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5814    3.9290   -1.3737 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4297    3.1649   -0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0851    2.3948    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8063    4.6765   -1.3788 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7024    4.8519   -2.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7047    5.5428   -2.1017 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6122    4.3502   -3.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8585    3.5174   -4.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250    2.8378   -5.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2629    2.0114   -6.0827 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  4  0  0  0  0
  3 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
$$$$
COVPDB778
  Mrv2015 05262115503D          

 20 21  0  0  1  0            999 V2000
   -0.2246   -6.3883   -0.5910 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2404   -5.1327   -0.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4441   -4.4009   -0.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4582   -3.0474   -1.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2719   -2.4125   -1.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2727   -0.9825   -2.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0778   -0.0108   -1.0301 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1966    1.4049   -1.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0317    2.4170   -0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187    2.1649    0.4055 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2794    0.7872    0.9459 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1746   -0.2193   -0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    0.5816    1.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4802    0.2484    2.9103 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7286    0.7116    1.0627 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9963    0.3914    1.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1247    0.7265    0.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7455    0.2491    1.2670 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289   -3.1622   -1.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9495   -4.5073   -1.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  5 19  4  0  0  0  0
 19 20  4  0  0  0  0
  2 20  4  0  0  0  0
M  END
$$$$
COVPDB779
  Mrv2015 05262115503D          

 25 26  0  0  0  0            999 V2000
    1.5140   -0.1370   -0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0790   -0.1044   -0.0317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3431    0.5121    1.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103   -0.2562    2.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8980    0.3578    3.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0831   -0.6548    5.0369 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1376    1.7415    3.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0045    2.5307    2.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6215    1.9004    1.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4630    2.6318   -0.0162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5927    2.5748   -0.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2887    3.9937    2.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6579    4.3608    1.9183 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8301    5.8461    1.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2025    6.2354    1.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3764    5.5925    1.9886 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1724    4.0580    2.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7808    3.7091    2.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6209    5.8795    1.3398 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4938    6.8999    1.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4684    6.9492    0.7924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4092    7.9376    2.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6798    7.9416    3.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5435    8.8422    4.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0740    8.8794    5.7475 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  3  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$
COVPDB77
  Mrv2015 05262115533D          

 22 23  0  0  0  0            999 V2000
   -1.9175    1.2345    1.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7013    1.2432    0.5845 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8941    2.1365   -0.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2228   -0.1433    0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1662   -0.2288   -0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8429   -1.9169   -0.3173 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4239   -1.9237   -1.6996 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6997   -0.9093   -0.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735   -1.0105   -1.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8416    0.1808   -1.4133 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1395    0.3613   -1.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7585   -0.6314   -2.2415 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7947    1.6301   -1.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0936    1.9188   -2.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0840    1.0081   -2.7966 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3935    3.2277   -2.0274 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3303    3.8040   -1.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1923    5.1524   -1.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0026    5.5551   -0.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9795    4.6178   -0.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1301    3.2701   -0.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3253    2.8580   -1.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 13 22  4  0  0  0  0
 17 22  4  0  0  0  0
M  END
$$$$
COVPDB780
  Mrv2015 05262115553D          

 23 23  0  0  1  0            999 V2000
   -4.3622    4.7001    3.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7857    4.6272    1.6906 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3922    3.9003    1.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4749    2.3592    1.8609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1087    1.6373    1.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2297    0.0927    1.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1350   -0.6302    1.6220 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0210   -0.3857    2.7262 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263   -1.6796    3.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5659   -2.2768    4.0352 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1849   -2.1477    1.9885 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9344   -3.0977    1.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448   -3.3763   -0.1228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7703    6.0645    1.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2169    6.1324   -0.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9846    5.5422   -1.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0140    6.7208   -0.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273    6.7421   -1.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1554    5.8704   -1.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7527    7.5421   -2.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2394    7.6809   -3.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2361    6.9542   -4.5347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7432    8.5313   -4.7587 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
$$$$
COVPDB781
  Mrv2015 05262115523D          

 30 33  0  0  0  0            999 V2000
    0.5612   -4.2710    0.1186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2942   -3.2670   -0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1762   -3.5122   -1.0432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2259   -2.0077    0.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8164   -1.6643    1.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7977   -0.4091    1.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2536    0.4928    1.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2644    0.1313    0.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2059   -1.0898    0.2096 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3423    0.9841    0.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8518    1.3217   -0.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9094    2.1255   -0.5480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0651    2.2832    0.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1011    1.6064    1.4512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0985    3.0144    1.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8423    3.7119    0.6656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3229    2.9281    2.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5384    3.7417    3.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7184    3.6045    4.8612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0324    4.4607    5.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2095    4.3415    7.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0752    3.3596    7.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7625    2.5026    6.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5803    2.6196    5.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2499    3.2371    9.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5408    3.3202    9.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7124    3.2056   11.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5979    2.9990   11.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3105    2.9093   11.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1361    3.0307    9.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 22 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 25 30  4  0  0  0  0
M  END
$$$$
COVPDB782
  Mrv2015 05262115523D          

 28 30  0  0  0  0            999 V2000
    2.1572   -2.5867    1.3553 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865   -2.0505    0.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0730   -2.8500    0.6308 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7866   -0.6545    0.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8197    0.2768    1.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5350    1.6526    1.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2321    2.0972    0.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7710    1.1444    0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4528   -0.1771    0.5660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0965    1.5216    0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9322    1.0614   -0.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1288    1.6449   -0.5952 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0485    2.4468    0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8023    2.4003    1.0147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1150    3.1999    1.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1678    3.2684    0.3360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0178    3.8624    2.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3028    4.6124    2.7989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1521    5.2696    4.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4303    6.0331    4.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2792    6.7005    6.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5588    7.4685    6.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4082    8.1081    7.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9028    9.4256    7.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7312   10.0181    9.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0617    9.3031   10.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5848    8.0019   10.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7569    7.4082    8.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
M  END
$$$$
COVPDB783
  Mrv2015 05262116083D          

 37 40  0  0  0  0            999 V2000
    9.6338    0.1918   -0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4146    0.3102    0.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7255    1.5118    1.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2325    2.6017    0.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4152    2.4949   -0.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1259    1.2848   -1.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3452    1.1604   -2.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7585    1.1984   -2.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1411    2.4811   -3.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3087    0.9983   -3.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4794    0.7758   -4.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0057   -0.5207   -5.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0898    1.8378   -5.7452 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2411    1.6191   -7.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7789    0.4047   -7.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1461   -0.6165   -6.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0423   -0.0189   -8.8484 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5498   -1.2117   -8.8252 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6345   -1.6240   -7.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9700    1.0249   -3.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3588    2.2282   -2.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0140    2.2367   -2.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2502    1.0520   -2.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8507   -0.1421   -2.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1983   -0.1592   -3.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9344    1.1326   -1.8190 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5060    0.1899   -0.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0613    0.5163   -0.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4786   -0.5996    0.4059 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0881   -0.3839    0.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0485    0.5517    1.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3971    0.2144    3.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4656    1.0939    4.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8022    0.6467    5.4338 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2660    2.4446    4.2014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0659    2.9807    4.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4158    3.3100    4.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 12 16  4  0  0  0  0
 15 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 16 19  4  0  0  0  0
 10 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  17
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB784
  Mrv2015 05262115533D          

 32 36  0  0  0  0            999 V2000
    0.7982   -4.6457    0.7914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1255   -4.5688   -0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -5.6235   -0.4305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3424   -3.3595   -0.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0263   -2.1315   -0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1900   -0.8894   -0.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6547   -0.8806   -2.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9805   -2.0786   -2.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8533   -3.3185   -2.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2521   -4.4840   -2.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6407   -4.7929   -3.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6920   -3.9815   -2.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0392   -4.3665   -2.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3706   -5.5789   -3.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6650   -5.9770   -3.4181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3520   -6.3864   -3.8768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0039   -5.9964   -3.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0377   -6.8089   -4.2672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7070   -6.5346   -4.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2119   -7.4509   -4.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5933   -7.2013   -4.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150   -8.0271   -5.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0511   -6.0198   -4.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1324   -5.1002   -3.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2658   -5.3474   -3.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0923    0.2921   -0.3042 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7188    1.3792   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8841    1.4851   -0.6705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0657    2.3626    0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    1.8983    0.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2351    0.6178    0.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2456   -0.1062    0.5085 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 11 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  2  0  0  0  0
 21 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 10 25  4  0  0  0  0
 19 25  4  0  0  0  0
  6 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
$$$$
COVPDB785
  Mrv2015 05262116003D          

 16 15  0  0  1  0            999 V2000
    4.4119    2.8883   -1.4884 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5354    4.2980   -1.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5251    4.9984   -0.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9344    5.7160    0.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0620    4.9495   -1.0643 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8705    5.4589   -2.3855 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3837    3.5485   -0.9242 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0073    3.6891   -1.2871 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4340    2.8961    0.4980 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7492    2.8899    1.0502 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9492    1.4217    0.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4426    1.3533    0.1471 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0779   -0.1106    0.0839 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2903   -0.9884   -0.9725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9620   -0.8095    1.5003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4885   -0.0135   -0.3067 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
M  END
$$$$
COVPDB786
  Mrv2015 05262115423D          

 28 30  0  0  0  0            999 V2000
    2.3872   -0.7602   -1.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4763   -0.4259   -0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7209   -0.2039    0.4149 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851    0.1123    1.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3296    0.3016    2.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6469    0.6038    3.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6222    0.7335    4.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745    0.5597    3.9857 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3982    0.6979    4.9435 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9243    0.2406    2.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5975    0.0318    2.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5327    0.1724    2.9926 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3544   -0.3275    0.7977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0369   -0.5607    0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7723    1.0411   -0.1665 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4739    0.6433   -0.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1100    1.8916   -1.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8320    2.7181   -0.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3696    3.9357   -0.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1987    4.3376   -2.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4981    3.5326   -2.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9659    2.3038   -2.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3422    3.9738   -4.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8460    5.0728   -4.6948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6151    3.2288   -5.4210 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6182    3.8839   -6.6323 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1963    2.0043   -5.6420 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2963    3.0555   -5.0790 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
  4 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
 11 13  4  0  0  0  0
  2 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
$$$$
COVPDB787
  Mrv2015 05262115463D          

 18 20  0  0  1  0            999 V2000
    0.5290    0.5286   -3.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3459   -0.7631   -2.5663 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1763   -1.0457   -1.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0291   -2.4158   -1.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3092   -3.1362   -0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7223   -4.4117   -0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078   -5.2509    1.1162 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7791   -5.3769    1.8632 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2131   -6.8715    1.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3312   -7.1428    0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4431   -6.1488    0.0601 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9819   -5.3835   -0.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9983   -5.4733   -2.1778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3716   -8.2230   -0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4600   -9.0237   -0.8121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4066   -8.4867   -1.4957 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0740   -2.8702   -2.4427 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2948   -1.8709   -3.2383 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  4 17  4  0  0  0  0
 17 18  4  0  0  0  0
  2 18  4  0  0  0  0
M  END
$$$$
COVPDB788
  Mrv2015 05262115523D          

 39 38  0  0  1  0            999 V2000
    1.5180  -14.9276   -2.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9259  -13.6286   -1.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8783  -12.3203   -2.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3309  -11.0877   -1.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3290   -9.7268   -2.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8032   -8.5729   -1.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7574   -7.1442   -1.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3477   -6.1023   -0.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3476   -4.6281   -1.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1905   -3.6910   -0.4881 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5645   -4.0874   -0.5048 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1679   -2.1927   -0.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8635   -1.4802   -0.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586   -0.9611   -1.9379 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0394   -1.2524    0.1912 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0635   -1.7680    1.5321 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3355   -1.4246    2.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2994   -1.9637    3.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4258   -1.2033    4.7377 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1391   -3.2813    3.9763 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8298   -1.2483    2.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0651   -2.0484    2.5470 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6671    0.0980    2.3404 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5064    0.7616    2.8425 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0904    2.1535    3.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8401    2.0392    4.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3368    3.3452    5.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.8159    6.2122 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2421    4.0502    4.4219 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5666    0.8928    1.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6463    1.4343    2.1390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3613    0.4233    0.5385 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2487    0.3553   -0.5853 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8816    1.4370   -1.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4355    1.1819   -2.6681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7841    0.3284   -0.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6643   -0.1857   -1.4882 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6658   -1.7364   -1.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1264    0.3255   -1.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 24 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
M  END
$$$$
COVPDB789
  Mrv2015 05262116063D          

  9 10  0  0  1  0            999 V2000
   -0.4148   -2.2790   -1.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6106   -1.4909   -1.0554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6866   -1.2806    0.0262 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0287    0.0095    0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6841    1.2287    0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0058    2.4559    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4131    2.4714    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1308    1.2614    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4403    0.0362    0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
M  END
$$$$
COVPDB78
  Mrv2015 05262115573D          

 26 27  0  0  1  0            999 V2000
   -2.1174   -5.7571   -1.4834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3258   -4.9145   -0.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3855   -5.5034    0.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5817   -4.7113    1.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5782   -5.2908    3.2217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8915   -5.5368    3.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7363   -3.3218    1.8357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6698   -2.6915    0.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4316   -3.5038   -0.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8700   -1.3102    0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5335   -0.3857    1.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7199    1.0469    1.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3792    1.8425    1.0989 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6567    3.1604    0.6263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2283    1.2119    0.2479 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9475    1.9976    0.4448 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5232    1.0382   -1.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6570    0.6643   -1.5679 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3838    1.3124   -2.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9666    0.4125   -3.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8460   -1.0459   -2.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5323   -1.7146   -3.3083 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4071   -0.9395   -4.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1909   -2.0653   -2.0710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2075   -2.9673   -1.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8787   -3.3844   -2.8591 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  2  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  9 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
$$$$
COVPDB790
  Mrv2015 05262116093D          

 24 25  0  0  1  0            999 V2000
   -1.0884   -7.0120    1.6495 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0983   -5.6757    1.9773 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3484   -4.9748    1.3910 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5416   -5.5829    1.8840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3264   -3.4478    1.7099 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8242   -3.2051    3.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0081   -2.8039    1.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1315   -3.5237    1.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1992   -4.9799    1.4778 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5454   -5.4059    0.1597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9454   -1.3407    1.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9979   -0.8898    0.2182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8582    0.4705    0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0302    1.2490    0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9603    2.6487    0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7176    3.3177   -0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6584    4.6638   -0.0836 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.6947    5.3994   -0.0054 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3476    5.2532   -0.1622 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4476    2.5106   -0.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4103    1.0909   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5485    0.3785   -0.2337 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7053    0.9074   -0.1977 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5663   -0.7736   -0.4271 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 16 20  4  0  0  0  0
 20 21  4  0  0  0  0
 13 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  CHG  4  17   1  18  -1  22   1  23  -1
M  END
$$$$
COVPDB791
  Mrv2015 05262115423D          

 20 30  0  0  0  0            999 V2000
    2.2844   -1.5057   -2.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1087   -1.9149   -1.9094 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6416   -2.8980   -2.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4297   -3.5385   -2.6404 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -3.0999   -3.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5410   -2.2471   -3.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5051   -1.3335   -0.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4097   -2.2577    0.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0660   -1.4771    1.2743 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3306   -2.6498    2.2334 Fe  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4076   -3.7990    1.0364 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1436   -4.4236    1.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8399   -4.4641    2.7989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9506   -4.0835    3.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8427   -3.8312    2.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0319   -0.5941   -2.0326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530   -1.2147    3.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9323   -0.8392    2.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3992   -0.8699    1.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8856   -1.4590    2.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 11 15  1  0  0  0  0
  1 16  2  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  2  0  0  0  0
  9 19  1  0  0  0  0
 10 19  1  0  0  0  0
 17 20  2  0  0  0  0
  9 20  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$
COVPDB792
  Mrv2015 05262116093D          

 19 21  0  0  0  0            999 V2000
   -2.7544   -2.7962    1.7534 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7953   -2.1221    1.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4544   -2.3690    1.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5766   -1.6250    0.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2812   -0.6056   -0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0667   -0.4009   -0.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0992   -1.1505    0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3151    0.2064   -0.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5857    0.2410   -1.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9470    1.3183   -2.1847 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1519    1.7342   -0.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1647    1.0452    0.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0573    2.5615    0.0787 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    2.7567    1.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9850    3.6627    2.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2976    5.2786    2.1511 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0733    2.1279    2.1722 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1469    1.2988    1.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2950    0.8059    2.3951 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  4  0  0  0  0
 17 18  4  0  0  0  0
 12 18  4  0  0  0  0
 18 19  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  17
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB793
  Mrv2015 05262116003D          

  8  8  0  0  1  0            999 V2000
    1.2421    3.9681   -1.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2771    3.7070   -1.1724 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7884    3.3777    0.1286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8874    2.3504   -0.8688 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0046    0.9367   -0.4938 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9178   -0.0345    0.3623 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3580    0.1701   -1.8391 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2371    1.2041    0.2578 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
M  END
$$$$
COVPDB794
  Mrv2015 05262115503D          

 11 11  0  0  1  0            999 V2000
    0.9594    0.0485    1.8761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4570    0.1185    2.0539 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1135    0.8252    0.8297 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4292    1.2689    1.1635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1431   -0.1125   -0.4116 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9159    0.4368   -1.4078 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6768   -1.4175   -0.1017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9461   -2.1114    0.9318 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4944   -3.3615    1.0921 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0076   -1.3199    2.2651 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3553   -1.2900    2.7332 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$
COVPDB795
  Mrv2015 05262116093D          

 20 21  0  0  0  0            999 V2000
    1.7092    0.1177   -0.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4295   -0.1709    0.3061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2420    0.5648    1.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750    1.6136    1.6988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4807    0.1680    1.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1600   -0.9137    1.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4179   -1.3605    1.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4447   -1.6214    0.9079 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6121   -2.2932    1.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7622   -2.7266    2.3515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6606   -2.4918    0.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9235   -3.0664    0.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1944   -3.4900    1.7172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9284   -3.1825   -0.3397 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4960   -2.1081   -1.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5509   -2.2716   -2.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7644   -2.7936   -1.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5662   -1.9565   -3.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0039   -2.3316   -3.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7651   -2.8564   -2.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  2  0  0  0  0
 12 14  4  0  0  0  0
 11 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 14 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 20  1  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  14
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB796
  Mrv2015 05262116083D          

 31 34  0  0  1  0            999 V2000
   -4.8921   -0.7388    4.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4347   -1.9098    5.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8290   -2.0575    5.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6754   -1.0251    4.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1307    0.1488    4.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7323    0.2943    4.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1949    1.4294    3.7029 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9854    1.6978    2.3031 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7890    0.8639    1.7087 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3881    1.0899    2.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9370    1.6712    3.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5334    1.4882    4.4084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8248    2.4650    3.3046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1993    3.0637    4.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6135    0.6067    1.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2395    0.4233    1.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4895    0.4265    2.0821 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3099    0.1616   -0.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6782   -0.1286   -0.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5485    0.1887    0.1223 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5728    1.1588    0.3216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3063   -0.9734    0.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958   -0.5533    1.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8375    3.2454    2.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7480    3.7290    0.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5602    4.3155    0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4902    4.7871   -1.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6013    4.6814   -1.9828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5029    5.2003   -3.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7864    4.0890   -1.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8571    3.6189   -0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
  9 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
  9 23  1  0  0  0  0
  8 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  1  0  0  0  0
 28 30  4  0  0  0  0
 30 31  4  0  0  0  0
 25 31  4  0  0  0  0
M  END
$$$$
COVPDB797
  Mrv2015 05262116103D          

 33 36  0  0  1  0            999 V2000
   -1.4679   -4.4594    0.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8055   -5.7058    0.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5743   -5.7791    0.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -4.6094    0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6398   -3.3761    0.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7185   -3.3041    0.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0934   -2.1362    0.1193 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0841   -1.2480    0.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0702   -1.9621    0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1980    0.1425    0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8376    0.8515    0.0605 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4236    0.6989   -0.2241 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6781    2.0923   -0.4951 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0801    2.6137   -0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6741    1.9964    1.2649 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7793    2.2351    2.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3976    1.5746    3.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    2.0739    4.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7527    1.9190    2.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1141    2.5425    1.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    2.4233   -1.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2826    3.0551   -2.1083 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0002    2.1304   -3.0970 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2764    1.5266   -3.3696 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4352    1.4855   -4.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2637    2.2173   -5.4291 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4619    0.0731   -2.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8096   -0.6560   -3.0500 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0199   -1.9224   -2.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2059   -1.6011   -1.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320   -0.3973   -1.7328 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0185    0.1201   -2.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3907    1.1477   -3.3431 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  6  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   7
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB798
  Mrv2015 05262116003D          

 48 52  0  0  0  0            999 V2000
    1.7123    1.3124   -1.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6051    1.8732   -0.8349 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3658    1.5310    0.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0479    0.5271    1.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6765    0.1961    2.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3509   -0.8091    3.1780 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4782   -0.3303    3.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4038    0.8654    3.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9495    0.3316    4.6621 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0384    1.9364    2.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0404    2.6376    3.0716 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9365    3.9222    3.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0166    4.5195    3.7327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7469    4.5613    3.8094 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3167    5.6504    2.9442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2607    6.7970    2.8595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8491    7.1854    1.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7660    8.2527    1.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1168    8.9631    2.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0796    9.9264    2.6303 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3218   11.0068    3.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5079   11.3400    4.3270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4577   11.7911    3.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4642   11.5698    2.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5071    8.5855    3.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5868    7.5231    4.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0197    4.1241    4.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5070    3.3423    5.9497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3553    2.8526    6.9505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1382    1.9832    7.8767 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5178    0.9455    8.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1285    0.3264    9.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4874   -0.7267   10.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7808   -1.1718    9.9188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4035   -0.5991    8.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    0.4310    8.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336   -2.1114   10.6808 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8969   -3.4348   10.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5925   -3.6222   12.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7998   -3.3105   13.2184 N   0  0  2  0  0  0  0  0  0  0  0  0
    2.5671   -3.5344   14.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3768   -1.9588   12.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6338   -1.7670   11.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6574    3.2411    6.9414 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1578    4.0334    5.9663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3451    4.4411    4.9607 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6758    2.2370    1.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5267    3.4280    0.2593 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 25  4  0  0  0  0
 25 26  4  0  0  0  0
 16 26  4  0  0  0  0
 14 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 31 36  4  0  0  0  0
 34 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 37 43  1  0  0  0  0
 29 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 27 46  4  0  0  0  0
 10 47  4  0  0  0  0
  3 47  4  0  0  0  0
 47 48  1  0  0  0  0
M  END
$$$$
COVPDB799
  Mrv2015 05262115583D          

 13 13  0  0  1  0            999 V2000
   -0.0664   -2.4164    2.6663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0129   -1.7955    1.3815 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4331   -1.3046    1.0860 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8296   -0.2987    2.0178 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5907   -0.8078   -0.3859 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1315   -1.8298   -1.3030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2338   -2.2696   -1.1236 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4664   -3.2615   -2.0447 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4773   -2.8155    0.3079 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8105   -3.1118    0.4841 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9921    0.5116   -0.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2630    1.2276    0.1725 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1570    0.9941   -1.8586 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
$$$$
COVPDB79
  Mrv2015 05262115503D          

 10  9  0  0  1  0            999 V2000
    5.4542   -0.5845   -2.7049 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1069   -0.1408   -2.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2661   -1.1168   -1.7115 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2650   -2.4103   -2.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8062   -0.6231   -1.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0571   -1.5501   -0.7322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4688   -1.1355   -0.4947 P   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5274    0.2704    0.2361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1382   -2.2132    0.4547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2018   -1.0798   -1.7637 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
$$$$
COVPDB7
  Mrv2015 05262116013D          

 35 36  0  0  1  0            999 V2000
    4.0094    4.2802   -3.2327 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4324    3.4406   -3.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7907    3.9067   -5.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4745    2.1482   -3.5273 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8824    0.9823   -4.1209 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9913    0.0861   -4.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9947    0.2707   -3.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7992    0.1451   -3.5017 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3474   -0.2633   -1.9011 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4058   -0.9034   -1.0096 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2460   -1.5132    0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234   -0.8500    0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6931   -0.3587   -1.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2470   -0.0939   -0.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8831   -0.6345   -0.5370 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2240    1.1599    0.0387 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2641    2.1455    0.1097 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6714    3.5924   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5539    3.8316   -0.9698 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3593    3.2827   -2.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9166    5.3448   -1.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0411    2.0772    1.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0552    2.8091    1.4704 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6299    1.2915    2.4211 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1592    1.2111    3.7557 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7225    1.2625    3.8741 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3107    0.8059    5.2544 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6875    1.4732    5.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4282   -0.7412    5.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4363    2.2008    4.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611    3.1492    5.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0305    2.1139    4.8491 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6884    0.7459    5.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8968    3.2080    4.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5772    3.1774    5.6469 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
$$$$
COVPDB800
  Mrv2015 05262116103D          

 34 37  0  0  1  0            999 V2000
    2.1983   -5.1091    1.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1525   -6.0511    1.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0611   -5.7070    1.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2454   -4.4164    0.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8037   -3.4865    0.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9969   -3.8301    1.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8965   -2.2128    0.2435 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1046   -1.7122    0.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179   -2.7135    1.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5464   -0.3957    0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816   -0.0397    0.7525 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7072    0.5022   -0.2270 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9079    1.9268   -0.2555 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8712    2.5484   -1.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1162    2.0487   -2.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3246    1.0177   -3.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6161    0.4996   -4.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6972    1.0124   -5.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4983    2.0330   -4.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5127    2.5002   -5.3350 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2055    2.5484   -3.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    2.4688    1.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6953    3.3881    1.4202 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1363    1.8331    2.0866 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4715    1.5474    3.4569 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2146    1.1967    4.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0091    0.0297    4.5460 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3142    2.5524    4.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8597    1.9690    5.6610 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6606    2.9991    6.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1513    2.6820    6.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1196    1.3628    5.7496 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8874    0.9330    5.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6670   -0.2312    5.0620 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  6  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  1  0  0  0  0
 19 21  4  0  0  0  0
 15 21  4  0  0  0  0
 13 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   7
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB801
  Mrv2015 05262116153D          

 49 53  0  0  1  0            999 V2000
   -0.2054    5.5346   -2.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9839    5.0203   -1.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3268    4.2192   -1.9342 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0603    4.2461   -0.7057 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2292    3.1751    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8413    2.0403   -0.2340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7988    3.3224    1.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5203    4.3259    1.6280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5431    2.3757    2.5423 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0143    2.2427    2.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7173    3.5855    3.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1564    3.3943    3.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2492    1.1521    2.2691 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4416   -0.0076    2.9872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3630   -0.6956    2.4902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7684   -0.5943    4.2018 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6833    0.3369    5.4533 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3081    0.0285    6.0761 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7346    0.1329    6.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9256   -0.1165    7.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6195   -0.7544    7.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4359   -1.0989    3.9651 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944   -0.7346    4.9987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0347   -1.9549    2.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1824   -1.9605    2.6358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9110   -2.9272    2.2057 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5072   -4.4533    2.3874 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8298   -4.8409    1.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3630   -4.8053    3.9079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6396   -5.3610    1.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9071   -2.5221    0.8296 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9731   -2.3995   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1030   -2.7970    0.3507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8501   -1.6873   -1.3337 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2280   -2.4506   -2.6673 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2177   -1.4443   -3.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7595   -2.0285   -5.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1794   -2.7938   -5.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1160   -3.8505   -3.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6085   -3.1955   -2.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6032   -0.9668   -1.4117 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6680   -1.4701   -1.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8532   -2.6917   -1.7027 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7706   -0.6230   -1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1238   -1.0290   -1.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1072   -0.1551   -0.9499 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8502    1.1079   -0.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5136    1.5266   -0.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5413    0.6481   -0.7716 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 21  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 35 40  1  0  0  0  0
 34 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 46 47  4  0  0  0  0
 47 48  4  0  0  0  0
 48 49  4  0  0  0  0
 44 49  4  0  0  0  0
M  END
$$$$
COVPDB802
  Mrv2015 05262116093D          

 24 26  0  0  0  0            999 V2000
   -1.1355    2.3787    0.3896 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4629    1.2837   -0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2020    1.4374   -1.3203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0041    0.0284    0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2661   -0.1446    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4014   -0.3164   -0.0374 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7992   -1.0051    0.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -1.0181    0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0294    0.0351    0.4602 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8888   -2.1633    0.5700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1676   -1.7828    0.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2309   -0.4418    0.4937 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2804   -2.5517    0.5690 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4859   -1.9358    0.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5560   -0.5719    0.4121 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4320    0.1941    0.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5364    1.5368    0.4075 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5820   -2.7182    0.2987 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5497   -2.4582   -0.7251 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.8495   -3.2808   -0.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8711   -3.0252   -1.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2578   -3.2827   -3.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9333   -2.5044   -3.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9300   -2.7753   -2.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  3  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  9 12  4  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 12 16  4  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
$$$$
COVPDB803
  Mrv2015 05262115463D          

 19 19  0  0  1  0            999 V2000
   -1.9637    5.9718    1.6528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2413    4.8039    1.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0427    3.8704    2.4950 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3132    3.4354    2.9783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1043    2.6507    2.2240 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3335    2.1254    3.4720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6887    1.5386    1.2865 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9597    0.9782    1.7022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0038   -0.1941    2.5536 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2790   -0.6808    2.3776 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0334   -1.3157    2.0585 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9937   -2.3949    2.9159 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3952   -0.7880    1.7701 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1042   -0.5149    2.9767 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3424    0.4523    0.8362 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0057    0.0103   -0.4778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9549    0.1531    3.9978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1164   -0.4400    4.8791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7344    1.0147    4.4641 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
$$$$
COVPDB804
  Mrv2015 05262115453D          

 12 12  0  0  1  0            999 V2000
   -0.1593    0.4835   -1.0580 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3088   -0.1154    0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2762    0.6305    1.3715 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1900    0.0241    2.7321 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5998    0.1720    2.9060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5420    0.7150    3.9182 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2224    0.0557    5.1421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0817    0.7409    3.7041 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6058   -0.5276    3.8345 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    1.3123    2.3008 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7204    0.5887    1.2642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7660    1.2250    2.0545 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$
COVPDB805
  Mrv2015 05262115503D          

 30 33  0  0  1  0            999 V2000
    3.6920   -9.9159   -0.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268   -8.4938   -0.9883 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3562   -8.4668   -2.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6053   -8.0725   -0.4869 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9198   -6.4057    0.1841 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6561   -5.0704   -0.5875 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8990   -5.2361   -1.7894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0779   -4.4720   -2.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -4.9778   -3.4198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6927   -3.1704   -1.9531 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0159   -2.4038   -0.8984 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -1.1678   -0.5999 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2205    0.0059   -1.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0116    1.1063   -0.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5560    0.4138    0.4951 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2419   -0.8817    0.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5994   -1.6871    1.3625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1266   -3.3894   -1.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4612   -4.0824   -0.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8040   -4.2623   -0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8345   -3.7702   -0.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5214   -3.0863   -2.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1761   -2.8966   -2.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0957   -5.0942   -0.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8484   -4.3447   -1.5075 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2501   -6.2831   -0.2612 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1788   -7.3639   -0.2958 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5039   -7.0637   -0.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6380   -7.3381   -0.2076 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6234   -6.5562   -2.0325 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 10 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
  6 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
  5 26  1  0  0  0  0
 26 27  1  0  0  0  0
  2 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
$$$$
COVPDB806
  Mrv2015 05262116093D          

 60 60  0  0  1  0            999 V2000
   -5.9472   -3.3043    6.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1577   -2.0996    6.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8478   -2.2013    6.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9674   -1.1565    6.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9412   -0.2201    6.9401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0893   -1.0918    5.0384 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3331   -0.0204    4.9689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8786   -2.1075    4.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5446   -1.5803    2.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7775   -2.6086    1.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5461   -2.1161    0.2542 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3797   -1.0211    0.2279 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865    0.2853   -0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0906    0.6826   -0.1855 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1942    1.2515   -0.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0008   -3.1854   -0.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1390   -3.6643   -0.4128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7328   -3.6552   -1.6497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5697   -4.0582   -2.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3048   -5.5240   -3.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3842   -6.4807   -2.8814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7391   -6.1984   -3.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2052   -7.6342   -2.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0101   -8.1429   -1.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5640   -9.1184   -2.3781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3193   -7.6988   -0.6260 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8306   -8.2673   -0.3543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7204   -6.6411    0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3344   -7.1556    1.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8571   -7.5059    1.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8796   -6.4174    2.0289 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5003   -5.7405    3.2349 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4067   -6.2498    4.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0645   -5.4426    5.3864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6519   -7.6470    4.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1870   -5.3768    1.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2831   -4.6447    0.5545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4834   -5.1639    0.6310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9899   -4.1747   -0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9122   -3.1511    0.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1981   -2.9212   -0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3322   -3.7397    0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3631   -2.0296   -1.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3812   -1.2431   -1.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7921   -1.7490   -2.7971 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0756    0.0404   -1.4186 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2261    0.7154   -2.1576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6131    0.7258   -0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4892    1.0976    0.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0081    1.6560    2.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8540    1.9465    3.0967 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0872    3.0877    2.6766 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7914    3.0786    2.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1209    2.0207    2.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1630    4.3491    1.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3709    2.1658    4.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9084    3.2577    4.7707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2805    1.2520    5.4960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0699   -0.1643    5.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8751   -0.8126    6.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  2  0  0  0  0
 53 55  1  0  0  0  0
 51 56  1  0  0  0  0
 56 57  2  0  0  0  0
 56 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
  2 60  1  0  0  0  0
M  END
$$$$
COVPDB807
  Mrv2015 05262115403D          

 25 26  0  0  0  0            999 V2000
   -1.1842   -5.6458   -4.5518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6984   -5.2574   -4.2620 P   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5322   -6.4612   -4.4071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8283   -4.6423   -2.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0455   -3.4650   -2.4412 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7386   -2.9888   -1.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -3.6091   -0.1727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0400   -1.8142   -1.0868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6885   -1.2109    0.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0469    0.0721    0.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4623    0.0922   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1638    1.3132   -0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4605    2.5311   -0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    2.5264   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    1.3056   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1454   -4.1426   -5.3257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1227   -4.6258   -6.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9648   -4.5136   -7.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9296   -5.0740   -8.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0528   -5.7507   -9.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2285   -5.8016   -8.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2673   -5.2392   -7.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0006   -6.3203  -10.4637 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.9600   -6.2895  -11.1951 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.9008   -6.8942  -10.9398 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  CHG  2  23   1  24  -1
M  END
$$$$
COVPDB808
  Mrv2015 05262115553D          

 14 14  0  0  0  0            999 V2000
    5.1642   -2.2799   -0.6442 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0279   -1.3599   -1.0949 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.2103   -0.5038   -2.3507 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6478   -1.2522   -0.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1573    0.0866   -0.2217 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9245    0.4629    0.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1114   -0.3852    0.6620 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5392    1.8900    0.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5060    2.4450   -1.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6510    2.3193   -1.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6730    2.8375   -3.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4613    3.4823   -3.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6135    3.6201   -3.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6349    3.1087   -1.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
M  END
$$$$
COVPDB809
  Mrv2015 05262116083D          

 24 27  0  0  1  0            999 V2000
   -0.9823    6.6957   -3.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2217    7.4664   -3.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1886    8.7425   -3.9748 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3977    9.1544   -4.2411 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2753    8.1529   -4.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7322    8.2727   -4.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5536    7.0474   -3.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0831    5.7908   -3.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8314    5.2361   -1.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    4.0564   -1.4847 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2226    3.3620   -2.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7731    2.2782   -2.0465 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4874    3.8590   -3.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9241    5.0771   -4.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2087    3.5704   -0.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4199    2.3071   -0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0327    1.0565    0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2806   -0.1337    0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1089   -0.0934   -0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7311    1.1566   -0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0256    2.3417   -0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9163   -1.3287   -0.1888 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9102   -2.3840    0.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9191   -1.3730    0.8418 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  2  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
  8 14  4  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
$$$$
COVPDB80
  Mrv2015 05262115573D          

 38 39  0  0  1  0            999 V2000
    1.0473   -6.5052   -6.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2643   -6.7601   -7.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3176   -6.7564   -8.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1512   -6.5050   -9.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0672   -6.2491   -8.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1323   -6.2288   -7.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953   -5.8952   -6.5005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3597   -4.4481   -5.8946 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4098   -3.4120   -6.9666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5336   -2.5143   -6.9716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3383   -3.4785   -7.9717 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552   -2.7179   -9.1933 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0635   -2.8404   -9.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9640   -3.5017  -10.9771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7952   -1.2329   -9.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2200   -1.1157   -8.9253 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9224   -0.3570   -8.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3508    0.3749   -7.2001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3971   -0.3573   -8.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3415   -4.1518   -4.8860 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4150   -4.7462   -3.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7356   -5.7681   -3.3913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1781   -4.1379   -2.5288 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6199   -3.6575   -2.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4036   -2.9419   -1.7226 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7493   -3.8827   -0.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7036   -2.2640   -2.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3758   -3.0345   -2.0981 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -2.9244   -0.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7620   -3.8085   -0.0272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9953   -1.7877   -0.7492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2238   -1.4222    0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.0821    0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7531    0.1065    0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2926    1.3875   -0.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4391    2.4966   -0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0442    2.3197   -0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4947    1.0368   -0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 33 38  4  0  0  0  0
M  END
$$$$
COVPDB810
  Mrv2015 05262116133D          

 13 14  0  0  1  0            999 V2000
    4.5519   -1.5624    0.1596 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2722   -1.2310   -0.3785 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2250   -1.1774    0.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7854   -0.8445    0.2663 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3429   -1.8842   -0.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4111   -2.0557   -1.9235 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9496   -2.6364   -3.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2203   -1.2347   -3.0863 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8902   -2.2569   -1.4842 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7923   -2.1312   -2.5863 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6573    0.5747   -0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2475    0.9281   -1.4078 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9113    1.5027    0.6327 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
$$$$
COVPDB811
  Mrv2015 05262115433D          

 40 41  0  0  1  0            999 V2000
    5.0991   13.2966    5.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1725   12.1520    6.0443 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0648   12.2544    7.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6430   10.7366    5.5431 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7187   10.7446    4.1104 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4912    9.9487    3.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2223    9.0845    3.8544 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4783   10.0869    1.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1165    9.1330    1.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1191    9.2616   -0.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4725   10.3453   -0.9872 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8367   11.3021   -0.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8378   11.1742    1.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707   10.4535   -2.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1900    9.6804   -3.0925 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6990   11.3641   -3.0812 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6540   11.5009   -4.5027 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6339   12.4832   -4.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3322   12.2811   -4.5885 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9448   13.5088   -5.5478 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7766    9.6277    6.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2060    9.0511    7.0956 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371    9.2439    5.5723 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0158    9.6267    4.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6824    8.8810    4.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2476    8.6003    5.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5956    8.4589    6.3328 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0085    7.0452    6.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0912    6.6504    7.7499 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2621    6.2042    5.5182 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5683    4.7959    5.5574 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7691    4.3800    6.4886 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0515    5.2109    6.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1044    2.8602    6.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3301    3.9590    5.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0837    3.1258    4.8058 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3859    4.0166    6.8633 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5520    3.0087    6.8267 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0402    3.8903    8.0622 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3235    5.1895    6.8593 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  4 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
M  END
$$$$
COVPDB812
  Mrv2015 05262116033D          

 12 12  0  0  1  0            999 V2000
    4.8917   -3.0067   -2.1841 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5774   -3.2509   -1.6823 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2072   -2.3051   -0.5288 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6414   -2.7767    0.7434 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6730   -2.2798   -0.6486 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9952   -1.1429    0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4128   -1.1831   -0.0422 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4537   -2.1626   -2.0609 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419   -2.9847   -2.7165 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9447   -2.2360   -3.8261 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7730   -4.2861   -3.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345   -3.9975   -4.1612 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$
COVPDB813
  Mrv2015 05262115523D          

 36 37  0  0  1  0            999 V2000
    6.8887    0.4234    3.5429 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9418    0.0450    2.6235 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8837   -0.5040    3.3052 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4964   -0.9458    1.8523 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5749    1.2019    1.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4798    1.6609    1.0284 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2400    1.8741    1.7275 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7691    2.5465    3.0696 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4746    3.3973    2.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8717    3.4204    3.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2588    0.9087    1.3271 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4302    0.9858    0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5764    1.8884   -0.6103 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2851    0.0496    0.0756 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0818    0.7580    0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5444    0.3756    1.6938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5592   -0.5479    2.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221   -1.0141    1.0500 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6020   -2.3416    0.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5300   -3.1173    1.8585 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0452   -2.9883   -0.4028 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4334   -2.5069   -0.9510 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5859   -2.8614    0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7348   -3.0780   -2.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9920   -2.8011   -1.3574 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0783   -3.6044   -1.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9467   -3.1381   -2.3712 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2772   -4.9009   -1.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3877   -5.1969   -0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6056   -6.5121    0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7211   -7.5627   -0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9541   -8.9028    0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379   -9.2260    0.9577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1265   -9.9139   -0.1037 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4062   -7.2450   -0.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6216   -5.9359   -1.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 31 35  4  0  0  0  0
 35 36  4  0  0  0  0
 28 36  4  0  0  0  0
M  CHG  1  34  -1
M  END
$$$$
COVPDB814
  Mrv2015 05262116023D          

 22 22  0  0  1  0            999 V2000
    3.6882   -1.1991   -0.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2140   -1.4569   -1.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8130   -2.3040   -2.6903 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445   -0.8439   -2.5713 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2941    0.1597   -1.9979 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9717    1.2386   -3.0702 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1771    1.8544   -3.5223 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0132    2.3143   -2.4973 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3264    3.2137   -3.4864 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2572    1.6559   -1.8737 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0562    1.1452   -2.8744 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9004    0.6097   -0.9386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0044   -0.4470   -1.3670 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7020   -1.6143   -2.1532 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0529   -1.2375   -3.4814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9444   -2.2389   -1.4347 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9095   -1.2529   -1.0796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6878   -3.3071   -2.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8119   -4.3287   -2.7388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0582    2.6420   -1.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3566    2.8927   -1.4009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5584    3.2694   -0.1454 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
$$$$
COVPDB815
  Mrv2015 05262115453D          

 32 34  0  0  1  0            999 V2000
    1.2896    1.5496   -1.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7148    2.2195   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6704    2.8847    0.5167 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3594    2.6552   -0.2386 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0585    1.8433   -1.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    1.3262   -2.2399 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1054    1.7309   -2.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7079    0.9335   -3.3841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7431    2.9489   -2.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0339    3.9638   -2.0842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2229    3.1017   -2.1852 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8653    2.1270   -1.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3595    2.4193    0.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9543    1.5159    1.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4840    1.9676    2.8178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7377    3.1422   -3.5215 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6120    2.3384   -4.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1178    1.3093   -3.6663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8870    2.7372   -5.4408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6995    2.1229   -6.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4956    3.1972   -7.2741 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.7342    2.7873   -8.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7061    3.8235   -9.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5590    4.3299   -7.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7576    3.7604   -6.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7614    2.7344   -6.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8386    2.2962   -4.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7547    1.2992   -4.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6118    0.7252   -5.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4447   -0.2160   -4.9913 F   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5756    1.1733   -6.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6626    2.1736   -7.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  1  0  0  0  0
 29 31  4  0  0  0  0
 31 32  4  0  0  0  0
 26 32  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1   4
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB816
  Mrv2015 05262116133D          

 15 15  0  0  1  0            999 V2000
    1.2305    0.3117    0.2362 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1286   -0.0879   -0.4487 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.5873   -1.1667    0.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7774   -1.7661   -0.5646 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7180   -0.6979   -0.7256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4008   -2.2368   -2.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5525   -3.5457   -2.0669 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2594   -4.6784   -1.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7165   -4.2804    0.1788 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6221   -4.2571    1.0928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4930   -2.9311    0.2040 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7952   -3.1486   -0.3441 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8828   -3.3258   -1.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330   -4.0089   -0.7777 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5511   -2.4946   -2.4043 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  CHG  1   2   1
M  END
$$$$
COVPDB817
  Mrv2015 05262116093D          

 12 12  0  0  1  0            999 V2000
   -2.7033    2.4419   -1.0699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8684    1.2883   -1.1605 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7510    0.0064   -1.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8821   -1.2918   -1.1365 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8325   -1.2588    0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0744    0.0150    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1786    0.0064   -0.0184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8354    1.2887    0.0036 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0233    2.4271   -0.0934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7377   -2.5022   -1.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7452   -3.4122   -2.0643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4793   -2.7135   -0.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
$$$$
COVPDB818
  Mrv2015 05262115423D          

 11 11  0  0  1  0            999 V2000
   -0.0796   -0.1286   -0.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4343    0.0282    0.0183 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9608    1.4955    0.0403 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5043    2.2402   -1.0883 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6055    2.2323    1.3608 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2213    2.5767    1.4045 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0073    1.3787    2.5974 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3789    1.3876    2.7313 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5176   -0.0915    2.4854 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8357   -0.6910    1.2089 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1274   -0.1999    2.7789 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
$$$$
COVPDB819
  Mrv2015 05262115403D          

 33 35  0  0  1  0            999 V2000
   -4.2213    0.5965   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2809   -0.5265   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333   -1.8826   -0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9507   -0.2779   -0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8925   -1.2833   -0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -0.6536    0.0455 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9679   -0.3220    1.3678 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7288   -1.3450    0.6917 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5351   -2.7682    1.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1358   -0.8775    0.1711 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6431   -1.6079   -1.1191 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6812   -2.1836   -2.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3787   -3.0152   -1.2047 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2654   -0.9062    1.2604 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9577   -0.0850    2.4119 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3629   -0.6994    3.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6258   -0.3708    0.7040 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0855   -1.1904   -0.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0337   -1.1928   -1.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667    1.0195    0.3226 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5403    2.1025    1.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5507    2.8646    1.0692 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5676    2.4336    2.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8266    1.9832    1.8845 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8401    2.2780    2.7504 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0530    1.6876    2.6945 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0683    2.0619    3.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3188    1.4967    3.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    1.8465    4.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5872    1.3559    4.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6351    1.7136    5.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5052    2.6174    6.0258 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.7668    1.2031    4.8613 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 11 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  CHG  1  32  -1
M  END
$$$$
COVPDB81
  Mrv2015 05262115513D          

 29 30  0  0  0  0            999 V2000
    2.4302   -1.7163    5.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4204   -1.3393    6.5879 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6726   -0.1329    6.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144   -2.0703    7.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2209   -1.8321    8.4805 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1128   -3.1300    8.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166   -4.3703    8.4640 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7293   -5.5924    7.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6731   -5.7364    7.1216 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9594   -6.7685    8.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794   -7.4318    7.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2282   -7.3059    7.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9801   -8.0723    6.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3345   -8.9813    5.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9992   -9.9130    4.7253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8976  -10.7745    5.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0462  -10.3531    5.5642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4798  -12.0923    5.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2887  -12.6267    5.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7927  -13.8725    5.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708  -14.6298    6.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8634  -15.7926    6.8686 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3881  -16.8877    7.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6697  -17.1890    7.3819 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5774  -17.7136    7.9512 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6791  -14.1176    7.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1852  -12.8776    6.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0714   -9.0190    5.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8221   -8.2615    6.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 21 26  4  0  0  0  0
 26 27  4  0  0  0  0
 18 27  4  0  0  0  0
 14 28  4  0  0  0  0
 28 29  4  0  0  0  0
 11 29  4  0  0  0  0
M  END
$$$$
COVPDB820
  Mrv2015 05262115473D          

 38 40  0  0  1  0            999 V2000
   -1.3585    1.2303    6.6246 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5343    1.5931    6.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4377    0.7852    5.3746 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6421    1.1947    4.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6847    2.6269    5.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2807    3.1904    6.0591 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4912    0.4295    3.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7704   -0.8368    4.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4946   -1.8544    3.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8443   -2.2300    4.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9364    1.0105    2.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1412    0.9639    2.4292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9985    1.6271    2.0110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1425    2.3169    0.7742 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1113    1.8093   -0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9370    0.6718   -0.6155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3157    3.6387    0.6937 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3366    2.9057   -0.0346 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5178    4.3116    2.1890 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9932    4.9543    1.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3197    3.9975    0.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1468    4.0266    0.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4857    3.1518    1.6357 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7143    2.7909    2.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    3.1538    1.5168 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7742    2.0040    3.1715 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0151    3.1046   -0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4131    2.2469   -1.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8211    2.2255   -2.3439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4476    1.3850   -0.7272 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2287    0.3814   -1.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.3003   -0.5545 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9059   -1.3572   -0.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9697   -1.8427   -1.9471 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7629   -1.9126    0.3068 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6007   -3.4647    0.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2501   -1.5458    0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3701   -1.3128    1.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 21 27  2  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
M  END
$$$$
COVPDB821
  Mrv2015 05262116113D          

 36 39  0  0  1  0            999 V2000
    4.5530   -0.6970   -0.3151 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8803   -1.8282   -0.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7078   -2.8025   -0.5152 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8653   -3.9068   -1.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324   -3.8729   -2.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2724   -2.3456   -2.5162 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6575   -4.9951   -0.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4802   -5.3894   -1.8575 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2929   -6.3751   -1.7943 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3796   -7.0239   -3.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4946   -5.6629    0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9224   -6.8350    0.4154 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7920   -5.1084    1.3026 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2289   -5.8178    2.4117 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8784   -6.1995    2.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4610   -6.9677    1.1135 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4828   -4.9414    3.4677 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2905   -5.2785    2.7812 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7644   -3.1517    3.5124 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2674   -2.4720    2.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572   -3.3144    2.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1009   -4.6755    2.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0110   -5.5280    2.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0938   -5.3571    1.5266 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8915   -6.5467    3.2263 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8324   -2.5624    2.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8225   -2.2046    0.4940 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5163   -1.0958    0.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7412   -1.5022    0.6637 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8468   -0.7366    0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9461   -1.1550    0.9359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7175    0.5099   -0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6880    1.2783   -0.3130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4771    0.8646   -0.5432 N   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3973    0.1370   -0.3482 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8632    0.6962   -0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  2  0  0  0  0
 30 32  4  0  0  0  0
 32 33  2  0  0  0  0
 32 34  4  0  0  0  0
 34 35  4  0  0  0  0
 28 35  4  0  0  0  0
 35 36  1  0  0  0  0
M  CHG  2  24  -1  34  -1
M  END
$$$$
COVPDB822
  Mrv2015 05262116093D          

 26 28  0  0  1  0            999 V2000
    2.0520    1.3027    0.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4379    0.1240   -0.1875 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3961    0.7425   -1.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4593   -0.3501   -1.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4509   -1.4175   -2.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4835   -1.9855   -1.4609 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1741   -3.2040   -2.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2873   -0.8901   -0.8750 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6986   -0.8552   -0.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4003    0.1303   -0.3095 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7480    0.2220   -0.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2315    1.1965    0.3609 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5470   -0.7563   -0.8877 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9596   -0.7158   -0.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7363   -1.7058   -1.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0490   -2.7455   -2.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6307   -2.8231   -2.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0708   -3.8437   -2.9111 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.7404   -4.7953   -3.4308 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9264   -3.9366   -3.0997 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8764   -1.8066   -1.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4979   -1.7920   -1.5403 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2319   -1.6815   -1.4452 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6600   -2.3893   -0.3472 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7423   -0.4062   -1.3628 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8164   -2.2376   -2.5608 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  2  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 17 21  4  0  0  0  0
 13 21  4  0  0  0  0
 21 22  4  0  0  0  0
  9 22  4  0  0  0  0
 15 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  CHG  2  18   1  19  -1
M  END
$$$$
COVPDB823
  Mrv2015 05262116093D          

 24 26  0  0  0  0            999 V2000
   -6.5528    0.1512   -2.8867 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.3981    0.5177   -2.4908 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.9144   -0.2767   -1.7856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8171    1.6902   -2.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5364    2.5223   -3.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0520    3.7638   -4.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8447    4.6123   -5.1657 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2026    4.4750   -4.9976 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5924    5.9573   -5.0185 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5316    4.2566   -6.4536 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7710    4.1612   -3.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9923    3.3838   -2.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5317    2.1557   -2.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7040    3.8463   -2.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2510    4.9449   -2.9405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8397    3.1708   -1.7592 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0181    1.9889   -1.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5874    1.2320   -1.2733 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0065    1.4246   -0.4053 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1668   -0.0128   -0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5706   -0.4511   -0.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6896    0.3545   -0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338    1.8788   -0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9999    2.2422    0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  6 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  4 13  4  0  0  0  0
 12 14  4  0  0  0  0
 14 15  2  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
$$$$
COVPDB824
  Mrv2015 05262116063D          

 12 12  0  0  1  0            999 V2000
    0.2498    0.6746   -0.9845 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6232    0.0483    0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0748    0.7286    1.4493 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2904    0.0696    2.8155 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6805    0.2284    3.1025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5308    0.6939    3.9781 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3348   -0.0711    5.1687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0456    0.7466    3.6467 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7195    1.4795    4.5974 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3029    1.3348    2.2329 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5054    0.6656    1.2334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0841    2.7445    2.1805 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$
COVPDB825
  Mrv2015 05262116023D          

 10  9  0  0  0  0            999 V2000
    4.2088   -0.0202    0.1984 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0839   -1.2664   -0.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2234   -1.1164   -1.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6943   -1.3962   -2.7958 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8304   -0.6315   -1.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0642   -1.5445   -0.7513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4591   -1.1176   -0.5239 P   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5055    0.2838    0.2129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1275   -2.1896    0.4323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1849   -1.0494   -1.7964 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
$$$$
COVPDB826
  Mrv2015 05262115573D          

 10  9  0  0  1  0            999 V2000
    0.8512    3.7396    1.3572 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5842    2.9416    0.4329 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0808    1.4778    0.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3084    1.4517    0.0643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9924    0.0068    0.0399 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2297   -0.9289   -0.9883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9129   -0.6450    1.4833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3977    0.1416   -0.3642 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0084    3.0358    0.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8643    3.4719   -0.0019 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
$$$$
COVPDB827
  Mrv2015 05262115503D          

  9  9  0  0  1  0            999 V2000
   -2.9969    2.2140    1.5895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4629    2.5048    1.3248 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6720    2.1232    2.6429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9669    1.7062    0.2004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2645    4.0679    1.0583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9806    4.5728   -0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6990    6.0845   -0.2009 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6766    6.9413   -0.9709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6176    6.9655    0.4622 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
$$$$
COVPDB828
  Mrv2015 05262116093D          

 57 59  0  0  1  0            999 V2000
    8.3989    0.4862   -5.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1490   -0.4203   -5.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2929   -0.3601   -4.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0210   -1.2500   -4.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2539   -1.2650   -2.8013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9106   -2.0483   -2.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2202   -2.0725   -1.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9925   -2.5722   -1.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0775   -3.1829   -2.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3300   -2.3099   -3.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3218   -2.8211   -4.5552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -1.0036   -3.1663 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7734    0.1152   -4.0679 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4333   -0.1067   -5.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0449    1.1247   -6.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0206    2.0546   -6.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6484    3.2249   -7.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7078    3.4761   -7.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0942    4.6112   -8.3695 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6865    2.5427   -7.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3136    1.3807   -6.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9719    0.9893   -3.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483    2.2184   -3.7254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3117    0.7308   -3.7007 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1088   -0.4626   -3.6415 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8113   -1.5594   -4.7176 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5703   -2.8945   -4.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1087   -1.0233   -6.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2856   -0.8893   -2.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4408   -1.1516   -1.8106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2430   -0.9074   -1.3568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3323   -0.9967    0.0713 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9756   -1.4709    0.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8654   -1.1984    2.0750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9165   -0.4779    2.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2628   -0.0714    3.8865 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4604   -0.1729    2.2682 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5762   -0.6887    3.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7093   -2.1735    3.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7824   -3.0337    3.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8038   -4.4210    3.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7691   -4.9760    2.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7486   -6.3091    2.3954 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7373   -4.1396    2.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069   -2.7498    2.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4784    1.2439    2.0532 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7756    1.8370    0.8609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4923    1.2609    0.0078 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0751    3.0933    0.4749 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5398    4.3797    1.2419 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0850    4.4883    1.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0097    5.6588    0.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3342    2.8505    0.6736 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0548    1.8605    0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5547    1.2625   -0.9082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2778    1.4923    0.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8462    0.2683    0.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  1  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 15 21  4  0  0  0  0
 13 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  1  0  0  0  0
 42 44  4  0  0  0  0
 44 45  4  0  0  0  0
 39 45  4  0  0  0  0
 37 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
 49 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  2  0  0  0  0
 54 56  1  0  0  0  0
 56 57  2  0  0  0  0
 32 57  1  0  0  0  0
M  END
$$$$
COVPDB829
  Mrv2015 05262116093D          

 46 52  0  0  0  0            999 V2000
    1.5212    0.2739    0.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6120    1.1437    0.0981 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9993    1.4364   -1.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5094    0.9791   -2.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0529    1.5184   -3.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0648    2.5086   -3.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4387    3.0693   -4.7195 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6278    3.6436   -5.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6489    3.5300   -4.3514 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7535    4.3610   -6.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7512    5.0229   -6.8425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5662    2.9201   -2.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0327    2.3681   -1.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3120    2.6064    0.2194 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3199    3.5462    0.6979 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8748    3.3232    2.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    4.4301    2.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2655    5.7867    2.4406 N   0  0  2  0  0  0  0  0  0  0  0  0
    5.5103    6.2876    3.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848    6.9260    3.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959    6.1618    3.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7564    6.7342    3.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6752    8.0904    2.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8512    8.8731    2.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0910    8.2971    3.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4430    8.6630    2.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0442    9.7601    3.0388 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1161   10.4170    2.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4452   11.5494    3.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6566   12.2106    3.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4894   11.7542    2.3441 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1995   10.6643    1.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0317   10.3235    0.7116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9920    9.9558    1.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6049    8.8212    1.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3781    8.1605    1.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0012    7.0531    0.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7845    5.8741    0.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4139    4.7814   -0.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7430    4.8525   -1.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310    6.0171   -1.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1648    7.1082   -0.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7885    6.0645    1.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7748    4.9990    0.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4213    1.8518    0.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3139    1.8129    2.1708 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 12  4  0  0  0  0
 12 13  4  0  0  0  0
  3 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 23 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  2  0  0  0  0
 32 34  4  0  0  0  0
 28 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 26 36  4  0  0  0  0
 36 37  1  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 37 42  4  0  0  0  0
 18 43  1  0  0  0  0
 43 44  1  0  0  0  0
 15 44  1  0  0  0  0
 14 45  4  0  0  0  0
  2 45  4  0  0  0  0
 45 46  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  31
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB82
  Mrv2015 05262115573D          

  7  6  0  0  0  0            999 V2000
   -0.1672   -0.9471   -1.8449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7987    0.1383   -1.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1269    0.6672   -0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4917    1.7687    0.6406 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3296    2.3153    1.6945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3844    3.4268    2.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2471    4.6013    1.9271 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
$$$$
COVPDB830
  Mrv2015 05262116093D          

 46 51  0  0  0  0            999 V2000
   -0.2940    0.6376   -0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0904   -0.6448   -0.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3085   -1.1333   -0.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0882   -0.4216   -1.2435 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6073   -2.4249   -0.2481 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7448   -3.1402   -0.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0426   -2.5703   -0.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871   -3.3543   -0.7627 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0218   -4.7228   -1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7451   -5.3086   -1.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6102   -4.5278   -0.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0965   -5.2986   -0.7302 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4457   -2.8365   -0.8251 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0345   -1.9553    0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1465   -1.5152   -0.3438 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4926   -1.5883    1.2258 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0919   -0.7140    2.1956 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4741   -1.2181    2.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9842   -0.3880    3.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9649   -0.3146    5.0340 N   0  0  1  0  0  0  0  0  0  0  0  0
    6.6896    0.2924    4.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0804   -0.5242    3.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9576   -1.5127    5.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6168   -1.7914    6.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209   -1.0008    7.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528   -1.2637    8.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0477   -2.3106    7.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741   -3.1362    6.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8431   -2.8818    6.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7332   -2.5269    8.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6045   -2.7559    9.5748 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4248   -3.0232   10.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2340   -3.0746    9.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3877   -3.2525   11.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1502   -3.5256   12.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9817   -3.5694   11.4316 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9798   -3.3572   10.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0755   -3.4190    9.4854 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5716   -2.5434    7.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276   -2.8339    8.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6179   -2.2536    6.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2031   -3.2099    5.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2996   -2.9298    3.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8064   -1.6909    3.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2010   -0.7249    4.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1060   -1.0030    5.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
 27 30  1  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 32 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 33 37  4  0  0  0  0
 37 38  2  0  0  0  0
 30 39  4  0  0  0  0
 39 40  4  0  0  0  0
 33 40  4  0  0  0  0
 39 41  1  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 41 46  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  36
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB831
  Mrv2015 05262116083D          

 27 31  0  0  1  0            999 V2000
    1.2207    0.0286   -0.2623 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0788   -0.0046   -0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2187   -0.0252   -0.0080 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7060   -0.8033    1.1591 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3245   -0.2189    2.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5194    0.6433    3.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6202    0.1268    2.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1710   -0.7016    1.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9888    0.3978    2.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9122   -0.2266    1.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4772   -1.1253    0.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0891   -1.3206    0.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4133   -1.8528   -0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4478   -1.6743   -1.6030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3453   -2.3132   -2.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2541   -3.1714   -1.8694 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2507   -3.3945   -0.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3369   -2.7659    0.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0490   -4.1876    0.1933 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6806   -4.1060    1.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5948   -3.2357    1.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9195   -2.9182    2.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5390   -3.1915    2.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458   -2.7743    4.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5301   -2.0957    5.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9133   -1.8656    5.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6077   -2.2836    3.8612 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  4  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 18 21  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  19
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB832
  Mrv2015 06162122563D          

 24 24  0  0  0  0            999 V2000
   -1.6688    0.9094    1.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5857    1.0154    0.3579 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8824    2.0698   -0.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1888   -0.3149   -0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1185   -0.2716   -1.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8089   -1.9270   -1.3659 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4357   -1.4651   -2.6174 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7021   -0.9253   -1.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -0.0471   -2.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7014    0.5185   -1.1006 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0925    0.1369   -1.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1934    1.4127   -0.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    2.2071   -0.5765 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4673    1.5053    1.3271 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5678    0.5499    1.8876 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1232    1.1092    2.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8803    2.8904    1.5424 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7323    3.4437    2.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7506    3.3457    3.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5725    3.9090    5.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3816    4.5981    5.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1723    5.3026    6.8801 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3639    4.7069    4.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5459    4.1421    3.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 21 23  4  0  0  0  0
 23 24  4  0  0  0  0
 18 24  4  0  0  0  0
M  END
$$$$
COVPDB833
  Mrv2015 05262115553D          

 23 23  0  0  1  0            999 V2000
    1.9232    5.1949    3.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3511    4.6152    5.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0068    4.2065    5.0725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7386    3.4411    5.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3734    4.0057    6.8603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8297    2.0665    5.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0185    1.3963    4.9264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0087   -0.0480    4.7102 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3301   -0.3774    3.3467 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2418    0.1009    2.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2055    0.9003    2.2287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2747   -0.3203    1.0075 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0384    0.0834   -0.3476 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5619   -0.0386   -0.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    1.5371   -0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7478   -0.9042   -1.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3937   -0.6149    5.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5441   -2.1658    5.0680 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9034   -2.9617    6.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0693   -3.6540    6.9883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2003   -3.3833    6.1945 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9486   -2.5921    5.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8316   -2.2634    4.3266 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
$$$$
COVPDB834
  Mrv2015 05262115553D          

 37 39  0  0  1  0            999 V2000
   -2.1112   -8.0861   -8.9770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8318   -7.8286   -7.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5242   -8.7649   -7.3311 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2892   -8.2479   -6.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2120   -6.7199   -6.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9908   -6.4881   -7.4025 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6767   -6.0339   -6.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5981   -4.5635   -6.1541 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0354   -3.6053   -7.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2169   -3.1248   -8.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6167   -2.2771   -9.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7677   -1.9080   -9.9774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9145   -1.8644   -9.2370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4520   -1.0282  -10.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9558   -0.8235  -10.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2852   -4.3163   -4.9181 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9036   -4.7897   -3.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9541   -5.6041   -3.5915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5172   -4.2921   -2.4376 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0303   -3.9249   -2.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5628   -3.4185   -1.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7398   -4.3046   -0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1578   -3.8271    1.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4079   -2.4560    1.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2760   -1.5672    0.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8604   -2.0456   -1.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7512   -3.1466   -2.0352 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2199   -2.9190   -0.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3553   -3.7160    0.1540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5466   -1.7454   -0.6597 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1106   -1.2702    0.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5991    0.1026    0.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9821    0.3863    0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.6949   -0.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4988    2.7381   -0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207    2.4675   -0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3265    1.1579    0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 32 37  4  0  0  0  0
M  END
$$$$
COVPDB835
  Mrv2015 05262116093D          

 50 50  0  0  0  0            999 V2000
  -12.2176   -5.1899    4.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8056   -5.1597    2.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9587   -6.2669    2.2671 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2042   -4.0140    2.1841 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7073   -4.1429    0.9819 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1682   -2.6395    2.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6564   -1.4753    1.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0674   -0.0169    2.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3220    1.0913    1.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6998    2.5328    1.8646 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7804    3.4820    1.3251 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9173    4.8337    1.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9706    5.3649    1.8192 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7841    5.6985    0.9972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6922    5.7289    2.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4932    6.5180    1.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7927    6.0277    0.7968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1175    7.7057    2.3080 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8300    8.2173    3.2796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9416    8.4431    1.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6933    7.9541    2.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3679    8.5720    2.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0828    7.9757    2.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7936    8.5975    2.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5806    8.0511    2.7681 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6467    8.2233    2.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7590    8.8481    1.1069 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8854    7.7140    2.8223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    6.1722    2.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2266    5.7071    3.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2814    5.4314    4.7420 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3495    5.5963    2.7215 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2100    5.7768    1.4313 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6468    5.2357    3.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000    5.4794    2.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9156    6.4968    2.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2635    6.5705    2.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1752    7.7102    2.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5662    7.4068    2.6022 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5561    8.2769    2.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3005    9.4615    3.2678 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9572    7.8124    2.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4676    7.3084    1.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7889    6.7489    1.6991 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9324    7.4201    1.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0479    8.6484    2.2061 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9624    6.5315    2.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4761    5.3287    1.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1352    5.4490    1.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3695    4.5003    1.2315 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 44 49  1  0  0  0  0
 49 50  2  0  0  0  0
M  END
$$$$
COVPDB836
  Mrv2015 05262115553D          

 34 35  0  0  1  0            999 V2000
   -0.1131   -4.1779   10.5403 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2698   -3.0156   10.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2815   -1.9455   10.6804 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0177   -0.7386   10.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1142   -1.1362    9.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0449   -2.6834    8.8974 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3417   -3.2423    7.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0845   -3.0957    6.2450 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4684   -3.5617    6.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8119   -4.8604    6.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1008   -5.3413    6.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3042   -6.5671    6.2177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1444   -4.5179    6.7055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5055   -4.9155    6.9092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3696   -3.6761    7.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0462   -1.7895    5.6434 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0716   -1.1267    5.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187   -1.5877    5.4267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0329    0.1070    4.4004 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3286   -0.3241    3.0627 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2829    0.1115    1.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1701    0.9960    1.9578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1134   -0.4476    0.7480 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3226   -0.1836   -0.6052 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8494   -0.4612   -0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0194    1.2803   -1.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4869   -1.1863   -1.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1016    1.1264    4.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1589    2.3161    4.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1944    2.4643    3.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1825    3.5363    2.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1424    4.4820    2.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1285    4.3695    3.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1355    3.2916    4.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
M  END
$$$$
COVPDB837
  Mrv2015 05262115553D          

 50 52  0  0  1  0            999 V2000
   -7.9204   -5.3283    2.7094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9066   -5.8914    3.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8021   -7.2212    3.2702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6158   -7.6546    3.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7453   -5.1825    3.7394 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1863   -4.0762    2.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0848   -3.1301    3.3559 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -5.0027   -0.0539    5.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0040    1.1977    5.4440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4176   -0.6886    6.6521 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2548   -1.2169    8.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0317   -6.3139    5.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4079   -5.8209    7.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7594   -7.3974    5.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4681   -2.5792    5.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4435   -2.8176    6.2571 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1300   -1.2171    5.5929 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.4827    0.1349    1.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0845    1.2298    1.9762 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2587   -0.4603    0.6717 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5644   -0.0294   -0.6769 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0929    0.1874   -0.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2239    1.2694   -1.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0775   -1.1790   -1.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.1217    6.7826 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   -0.5666    7.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6297   -0.1020    8.0894 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3837   -0.5093    9.0389 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0093   -0.0132   10.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1301   -0.0063   11.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2091    0.8980   11.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2259    0.9631   12.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1836    0.1180   13.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1334   -0.8045   13.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1147   -0.8655   12.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 30 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  4  0  0  0  0
 46 47  4  0  0  0  0
 47 48  4  0  0  0  0
 48 49  4  0  0  0  0
 49 50  4  0  0  0  0
 45 50  4  0  0  0  0
M  END
$$$$
COVPDB838
  Mrv2015 05262115563D          

 49 51  0  0  1  0            999 V2000
   -3.0870    4.3263   -5.5765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4482    5.2815   -4.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0221    6.4738   -5.5431 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3265    7.3541   -4.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069    6.5997   -3.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0391    5.2958   -3.5060 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3026    5.1852   -2.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0973    4.9310   -1.0641 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3520    3.7037   -0.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8810    2.6265   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1720    1.4778    0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7885    0.5070    0.6359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    1.3901   -0.0816 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0009    0.2418    0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4656    0.5771   -0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4427    5.9691   -0.3260 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9088    7.2221   -0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9167    7.6693   -0.6737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2450    8.0539    0.9610 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7532    8.3766    0.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1385    9.3514    1.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828    8.9187    2.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2590    9.8493    3.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0287   11.2245    3.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2185   11.6705    2.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3608   10.7416    1.4192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4999    7.4703    2.2542 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9634    6.3327    2.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0220    5.7304    2.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0069    5.9611    4.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3797    4.7821    4.2791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7515    6.8387    3.3325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9675    6.6824    2.5501 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.5025    5.2220    2.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0640    7.5759    3.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4165    5.6179    5.0227 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6982    4.4890    5.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9037    3.4238    4.6668 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2626    4.5191    6.2728 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1211    3.4152    6.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0251    3.7489    7.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5368    3.7997    9.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083    4.0609   10.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752    4.2891    9.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2714    4.2562    8.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4023    3.9892    7.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
 30 39  1  0  0  0  0
 39 40  1  0  0  0  0
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 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 46 47  4  0  0  0  0
 47 48  4  0  0  0  0
 48 49  4  0  0  0  0
 44 49  4  0  0  0  0
M  END
$$$$
COVPDB839
  Mrv2015 05262115563D          

 55 59  0  0  1  0            999 V2000
   -7.6724   -2.5959   -1.4045 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7955   -1.5830   -0.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8934   -1.3370    0.0371 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8302   -0.1341    0.7677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5327    0.5410    0.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7563   -0.5586   -0.5053 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5156   -1.1419    0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2275   -0.2540    0.3216 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8496    0.3334   -0.9627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4094   -0.3952   -2.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0285    0.1318   -3.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9981    1.4828   -3.4481 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7489    3.6595   -4.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2294    0.7637    1.3428 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1913    1.7709    2.6393 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.7044   -1.2721    2.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6832   -2.1409    3.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3688   -1.9143    4.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0230   -3.1339    2.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -3.9183    3.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7289   -3.7049    4.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3911   -2.6988    5.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 30 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 46 47  4  0  0  0  0
 47 48  4  0  0  0  0
 44 49  4  0  0  0  0
 48 49  4  0  0  0  0
 49 50  1  0  0  0  0
 50 51  4  0  0  0  0
 43 51  1  0  0  0  0
 50 52  4  0  0  0  0
 52 53  4  0  0  0  0
 53 54  4  0  0  0  0
 54 55  4  0  0  0  0
 51 55  4  0  0  0  0
M  END
$$$$
COVPDB83
  Mrv2015 05262115413D          

 12 13  0  0  1  0            999 V2000
    1.4238    1.2843    0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0642   -0.0048    0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0051   -1.1117    0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0709   -1.8270   -1.2944 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8854   -3.0731   -1.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9916   -3.1907   -0.6916 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3055   -4.1099   -1.9414 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7472   -2.4718   -1.7830 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2679   -3.5527   -2.7351 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3353   -1.8113   -2.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9947   -3.0521   -3.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0273   -4.2615   -3.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$
COVPDB840
  Mrv2015 05262115563D          

 47 49  0  0  1  0            999 V2000
   -3.4159    7.5456    8.5635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2475    7.1042    8.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280    7.1866    9.5956 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1256    6.5734    9.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2100    6.3104    7.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7272    6.4628    7.1967 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4798    5.1283    6.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0990    4.3373    5.6106 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0951    5.2190    4.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2111    5.5289    3.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2705    6.4059    2.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3865    6.6220    2.1626 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1589    7.0473    2.2148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1472    8.0285    1.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7157    8.5222    0.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8902    3.5554    5.6224 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    2.5271    6.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2550    2.3268    7.5177 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4492    1.5279    6.1103 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8545    2.1343    5.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8984    1.1052    5.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4438    0.9621    4.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4227   -0.0128    3.9418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8805   -0.8580    4.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3530   -0.7315    6.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3662    0.2378    6.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1051    0.8635    4.9729 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0149   -0.4499    4.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7305   -1.2404    5.3004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7304   -0.9425    3.4546 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3584   -0.0718    2.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6926   -0.7369    0.9885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2492   -0.1485   -0.2678 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3038   -0.2114   -0.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7626    1.3149   -0.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9058   -1.0572   -1.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1437   -0.9362    3.7400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7478   -1.7373    4.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0991   -2.6104    5.2907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0678   -1.6747    5.0061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0966   -0.7661    4.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7164   -0.0785    5.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0169    1.3032    5.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6353    1.9619    6.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9490    1.2515    7.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6544   -0.1210    8.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0488   -0.7825    6.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
 30 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 46 47  4  0  0  0  0
 42 47  4  0  0  0  0
M  END
$$$$
COVPDB841
  Mrv2015 05262115553D          

 45 46  0  0  1  0            999 V2000
   -8.0465    2.3303    9.1616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9463    2.0564    7.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9081    2.3069    6.9242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5817    1.8978    5.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2794    1.0930    5.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7588    1.4011    7.2125 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4962    2.3238    7.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1109    1.7099    6.8808 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8687    0.4521    7.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2286    0.3577    8.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0349   -0.8358    9.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3643   -0.8382   10.4861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5768   -1.9972    8.9499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4599   -3.3074    9.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2248   -4.3109    8.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9293    1.4670    5.4758 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8430    2.3992    4.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9116    3.6222    4.7497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6773    1.9844    3.0588 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6315    0.8068    2.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5605    0.3736    1.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9936   -0.8754    0.9042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9385   -1.2780   -0.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333   -0.4342   -1.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0009    0.8071   -1.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0771    1.2029    0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2973    1.6538    2.8165 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6439    1.8141    1.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2498    2.3036    0.6375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2071    1.4705    1.4392 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1996   -0.0311    1.6045 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2556   -0.6950    2.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2911   -0.8641    0.5218 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4530   -1.0812   -0.7192 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9748   -1.3798   -0.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2624    0.0812   -1.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2210   -2.3573   -1.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6130    2.3017    2.2768 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4669    3.2759    1.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5934    3.5570    0.6307 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1798    3.9487    2.8015 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0927    5.0656    2.6816 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3743    4.6601    1.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3709    6.2805    2.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4856    5.4311    4.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 30 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 45  1  0  0  0  0
M  END
$$$$
COVPDB842
  Mrv2015 06162122563D          

 28 28  0  0  1  0            999 V2000
   -1.9909    1.2439    1.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7599    1.2789    0.6056 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9506    2.1537   -0.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2602   -0.1025    0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1453   -0.1656   -0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8677   -1.8271   -0.1768 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5227   -1.7947   -1.4660 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7019   -0.6880   -0.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1284   -0.9046   -1.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9843    0.1857   -0.8500 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2912    0.3032   -1.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8599   -0.6681   -1.7908 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9654    1.6362   -1.1443 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1364    1.8682   -0.2914 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4166    3.2514    0.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0291    0.8994    0.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0337    1.2437    0.8284 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8869   -0.4417   -0.0853 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7580   -1.5627    0.2206 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9686   -2.8244   -0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0801   -1.4496   -0.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0697   -1.6744    1.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2520    2.1034   -2.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4533    3.0943   -3.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6961    3.4872   -4.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7516    2.9055   -5.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5666    1.9355   -4.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3224    1.5437   -3.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
M  END
$$$$
COVPDB843
  Mrv2015 05262116103D          

 26 27  0  0  0  0            999 V2000
   -1.8942    1.2536    1.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6821    1.2424    0.5754 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8774    2.0939   -0.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2122   -0.1543    0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1691   -0.2581   -0.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8624   -1.9294   -0.1994 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5214   -1.9375   -1.4831 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6802   -0.7677   -0.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0783   -0.8917   -1.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8629    0.2972   -1.2306 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1216    0.4430   -1.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6686   -0.5696   -2.2562 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8796    1.7528   -1.7172 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8328    2.9299   -1.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6769    1.8539   -0.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0440    3.1164    0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8056    3.2271    1.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2727    2.0734    1.9597 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9545    0.8120    1.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1631    0.7066    0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7585    1.8426   -2.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1705    1.6871   -4.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9237    1.7737   -5.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3042    2.0066   -5.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9256    2.1519   -4.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1638    2.0700   -2.9375 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 13 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
M  END
$$$$
COVPDB844
  Mrv2015 05262115453D          

 12 12  0  0  1  0            999 V2000
   -0.0897    0.5869    1.1126 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3506   -0.0566   -0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2805    0.6165   -1.3246 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1228    2.0056   -1.3403 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4336    2.7945   -2.4122 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8446    2.9422   -2.2528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0719    2.1981   -3.8000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6874    2.9111   -4.8025 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4749    0.7020   -3.8687 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0559    0.1193   -5.1029 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1123   -0.0850   -2.6633 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5323   -0.1706   -2.8017 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$
COVPDB845
  Mrv2015 05262115423D          

 12 12  0  0  1  0            999 V2000
    1.2884    0.6069   -0.5402 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5795   -0.0971    0.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5943    0.7655    1.0149 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5485    0.0533    2.0254 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8299   -0.6732    3.0226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6025   -0.8496    1.3239 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0091   -2.0500    0.8333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3119   -0.0869    0.1719 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1787    0.9013    0.7277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2876    0.5939   -0.7739 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3426    1.4100   -0.0461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6323   -0.3653   -1.6018 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$
COVPDB846
  Mrv2015 05262116003D          

 28 28  0  0  1  0            999 V2000
    0.9438    2.8306   -0.4253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1314    3.0751    0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2133    4.2958    0.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2143    2.2573    0.0688 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3397    1.0322   -0.6575 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2621   -0.0464   -0.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4563   -1.4892   -0.8731 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5877   -2.4757   -0.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4164   -1.5492   -2.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7425    0.5291   -0.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2757    0.1025   -1.5979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5843    0.4262    0.5273 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5440    0.9387    1.8692 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2563    0.4529    2.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7456    2.4164    1.8715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0548    3.1312    2.6331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6917    2.9663    1.0481 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0136    4.3502    0.8273 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1064    5.2042    2.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8540    6.5762    2.0217 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5351    7.4949    3.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3929    6.4025    1.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1589    4.9172   -0.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3346    5.8238    0.0056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2674    4.4679   -1.6832 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6277    4.0213   -2.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5178    5.2524   -2.6293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0115    3.9406   -2.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
$$$$
COVPDB847
  Mrv2015 05262116013D          

 28 29  0  0  1  0            999 V2000
   -2.6696   -1.9546   -0.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5541   -0.8139    0.3476 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4196    0.4719   -0.2704 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3940    1.4203   -0.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5674    1.2034    0.0101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0558    2.7666   -0.9028 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8995    3.7532    0.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3805    5.0931   -0.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4273    4.6799   -1.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0307    3.3769   -1.7754 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5167    2.8389   -2.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0938    1.5361   -3.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3612    3.4790   -3.6299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4567   -0.9966    1.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7678   -1.1116    2.5492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1111   -1.0497    1.1231 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6314   -0.9593   -0.1044 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7341    0.1341    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680    1.5718    0.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2054    2.6210    0.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356    3.4212    1.2590 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8836    2.8155   -0.8417 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2074   -2.2942   -0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0751   -3.2711    0.3268 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9447   -2.5555   -1.7054 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4889   -2.6439   -1.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2562   -2.3104   -3.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3313   -3.6179   -2.4592 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  2 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 17 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
$$$$
COVPDB848
  Mrv2015 05262116083D          

 14 13  0  0  1  0            999 V2000
    1.5616   -3.9754   -2.4487 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2557   -3.2998   -2.4888 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0658   -2.6226   -1.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3484   -3.6322    0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4199   -2.9431    1.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8866   -3.8970    2.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6732   -3.2981    3.8154 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793   -3.7832    4.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8469   -4.8074    5.0625 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6449   -3.1230    6.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0912   -3.3100    6.4347 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2794   -2.3232   -3.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6122   -2.4248   -4.6099 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1177   -1.3926   -3.6219 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
$$$$
COVPDB849
  Mrv2015 05262115513D          

 22 23  0  0  0  0            999 V2000
   -9.3857    8.5519    1.8030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1082    8.2877    1.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4845    8.9233    2.8836 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5484    7.3985    1.1442 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3099    6.8204    1.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7171    6.4136    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4584    5.7873   -0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7631    5.5483    1.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3495    5.9631    2.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6162    6.5721    2.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5297    4.8717    1.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5773    5.2664    1.8917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4570    3.7267    0.4350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3981    2.9120    0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0619    3.3553    0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9735    2.4523   -0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7128    1.0787   -0.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6407    0.6541   -0.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6789    1.5582   -0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7118    0.2169   -0.7224 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.9228    0.5866   -0.8529 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5419   -0.9330   -0.8470 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  CHG  2  20   1  21  -1
M  END
$$$$
COVPDB84
  Mrv2015 05262115583D          

 27 28  0  0  1  0            999 V2000
    0.1758   -5.4258   -3.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1994   -4.0096   -3.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4447   -3.1256   -4.1252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0374   -3.6964   -1.9640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1377   -2.3815   -1.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1040   -2.4786    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9711   -3.0014    0.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8916   -3.1038    2.0524 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1296   -3.6570    2.8826 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6720   -3.0765    3.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5872   -3.0255    5.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3701   -3.6516    6.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1487   -4.5100    5.5747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283   -3.3070    7.3786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1985   -3.8413    8.4782 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7215   -3.9313    8.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6301   -5.2422    8.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9799   -2.8540    9.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5952   -2.5958    3.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6329   -1.9026    3.1691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6735   -2.8368    2.3496 S   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7833   -3.9495    2.0347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2090   -1.8289    3.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2617   -1.9274    0.8013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1574   -3.4727    0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8628   -4.4601    0.7524 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6441   -3.0231   -0.9110 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 10 19  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  2  0  0  0  0
  9 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
$$$$
COVPDB850
  Mrv2015 05262115573D          

 13 14  0  0  0  0            999 V2000
   -0.3155    2.2950   -3.7272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5136    1.8610   -2.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3474    0.9558   -2.0269 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759    0.4654   -0.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0422   -0.4367   -0.2775 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8674    0.8858    0.0038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7488    1.7820   -0.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    2.2810   -1.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8395    2.3275    0.0535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4292    3.1384   -0.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6903    3.1330   -2.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9771    3.7808   -3.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2372    4.3451   -4.0829 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  8 11  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  3  0  0  0  0
M  STY  2   1 DAT   2 DAT
M  SAL   1  1   3
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  SAL   2  1   9
M  SDT   2 MRV_IMPLICIT_H                                        
M  SDD   2     0.0000    0.0000    DR    ALL  0       0  
M  SED   2 IMPL_H1
M  END
$$$$
COVPDB851
  Mrv2015 05262115513D          

 11 10  0  0  1  0            999 V2000
   -3.6720   -0.0978    2.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3744    0.5626    1.9118 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7986    1.2844    0.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8677    1.6439    2.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2561   -0.5282    1.6238 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0195   -1.5590    2.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0653    0.0346    1.4051 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5947    0.3790   -0.0729 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2047   -0.3894   -1.1499 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4834    1.8280   -0.3000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2410   -0.0984   -0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
$$$$
COVPDB852
  Mrv2015 05262116103D          

 24 24  0  0  0  0            999 V2000
   -1.8954    1.1245    1.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6835    1.2211    0.5743 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8947    2.1764   -0.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1871   -0.1304    0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909   -0.1106   -0.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8406   -1.7856   -0.8476 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5348   -1.4119   -2.0359 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7063   -0.6924   -0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0826   -0.4272   -1.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1143    0.1625   -0.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3601    0.4229   -1.1520 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5162    0.8309   -0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5408    0.9719    0.7066 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7391    1.1242   -1.3612 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0874   -0.1384   -2.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3987    2.3394   -2.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8346    1.4423   -0.4431 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0693    1.7971   -0.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3801    3.1539   -1.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6388    3.5241   -1.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6125    2.5401   -1.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1237    2.9830   -2.5665 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.3254    1.1873   -1.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0648    0.8212   -1.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 21 23  4  0  0  0  0
 23 24  4  0  0  0  0
 18 24  4  0  0  0  0
M  END
$$$$
COVPDB853
  Mrv2015 05262116103D          

 23 23  0  0  0  0            999 V2000
   -1.9593    1.2340    1.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7338    1.2534    0.6072 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9067    2.1382   -0.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -0.1227    0.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1714   -0.1515   -0.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9565   -1.7817   -0.1848 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4470   -1.7712   -1.6627 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7389   -0.6927   -0.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0522   -0.8599   -1.7746 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9027    0.2772   -1.6354 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2656    0.2670   -1.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8769   -0.8299   -1.5905 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0543    1.5416   -1.5831 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8610    1.6028   -0.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0205    1.5282   -2.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0980    2.6443   -1.6566 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5263    3.9401   -1.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5933    4.4877   -3.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9796    5.8279   -3.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2897    6.6409   -2.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7547    8.2540   -2.4546 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2047    6.1070   -0.9218 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8170    4.7671   -0.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 20 22  4  0  0  0  0
 22 23  4  0  0  0  0
 17 23  4  0  0  0  0
M  END
$$$$
COVPDB854
  Mrv2015 05262116113D          

 26 26  0  0  1  0            999 V2000
   -0.4366   -1.5148   -1.3198 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8596   -0.6979   -0.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3453    0.2270    0.1549 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8247    1.6046   -0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8624   -0.1943    1.3567 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2986   -0.3131    1.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.5104    2.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2072   -0.2836    2.2825 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4140   -1.1421    3.7209 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9345   -2.6057    3.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724   -3.5736    2.7507 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6731   -4.9203    2.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3591   -3.8335    3.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2818   -0.2439    4.4358 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6660   -0.3044    5.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3685   -1.3125    6.4309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3428    0.7788    6.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9600    0.7234    7.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3955    2.0056    7.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0701    2.4928    9.2090 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8029    4.0249    9.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5294    1.7495   10.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6094    2.2620    9.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0841    2.7679    6.8962 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4813    2.0699    5.9824 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0394    2.6753    4.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 19 24  4  0  0  0  0
 24 25  4  0  0  0  0
 17 25  4  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$
COVPDB855
  Mrv2015 05262116073D          

 26 25  0  0  1  0            999 V2000
    5.5066   -3.7709   -8.8647 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3498   -2.8631   -8.8193 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0100   -2.4482   -7.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4919   -3.6262   -6.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1299   -3.2180   -5.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7893   -3.6719   -4.1461 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0678   -2.3866   -4.9195 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5656   -1.9463   -3.6475 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8727   -0.5650   -3.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9851    0.7568   -4.3949 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8954    2.2186   -4.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5630    3.5230   -4.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3666    4.9091   -4.7332 S   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9545    4.5547   -5.6807 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1287    5.1266   -3.2240 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0444    6.2556   -5.2768 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5943   -2.9199   -3.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0551   -3.6879   -3.8279 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3949   -2.9436   -1.7315 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5601   -3.7492   -1.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2121   -3.7784    0.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9952   -3.1580    1.3019 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8275   -4.3561    0.7812 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6499   -1.6909   -9.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9032   -1.4274  -10.7653 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6012   -0.9238   -9.3936 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  2  0  0  0  0
  8 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
$$$$
COVPDB856
  Mrv2015 05262116103D          

 21 21  0  0  0  0            999 V2000
   -3.0393    3.7478   -1.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    3.3980   -0.6441 N   0  3  1  0  0  0  0  0  0  0  0  0
   -1.6432    4.2361    0.5841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6671    1.9233   -0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2337    1.4224   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2665   -0.3647    0.3008 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7527   -0.9063    0.5097 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2733   -0.0402    2.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5157   -0.6835    2.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2883    0.3196    3.3448 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1721    0.1379    4.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3450   -0.9815    4.9013 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9499    1.3073    4.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8113    1.8279    3.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3857    2.9065    2.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1833    3.3662    1.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4246    2.7588    1.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3467    3.3640    0.2902 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8656    1.6784    2.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3525    0.9057    2.1068 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0596    1.2242    3.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 17 19  4  0  0  0  0
 19 20  1  0  0  0  0
 19 21  4  0  0  0  0
 14 21  4  0  0  0  0
M  CHG  1   2   1
M  END
$$$$
COVPDB857
  Mrv2015 05262115483D          

 65 68  0  0  1  0            999 V2000
    2.2934   -0.2415    0.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706   -0.2870   -0.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7948   -0.1357   -1.4404 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5753   -0.4955   -1.0450 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5634   -0.6618   -0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7882   -0.7325   -1.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1767   -1.2416   -2.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345   -0.6071   -2.4394 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2772    0.6989   -3.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7188    0.7091   -4.3329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1886    1.8435   -2.5687 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3484    3.1301   -3.1924 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8865    3.4273   -3.3696 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1628    4.8208   -4.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6336    2.3225   -4.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3564    4.1606   -2.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414    4.3699   -1.2033 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3639    4.9203   -2.9106 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9373    6.1081   -2.3350 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8560    5.9000   -1.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0893    7.1982   -0.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870    7.9332   -0.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340    9.2121    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3895    9.7703    0.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5180   11.0192    1.2774 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2104    9.0340    0.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0646    7.7567    0.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6693    6.8417   -3.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2493    7.9749   -3.7407 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7813    6.3036   -3.9991 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5140    6.9036   -5.0841 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9344    6.2493   -5.3239 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7769    6.3278   -4.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7029    7.0691   -6.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8633    4.7466   -5.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5978    6.9410   -6.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2655    8.0645   -6.7093 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0257    5.7929   -6.7363 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8477    5.7246   -7.5492 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9600    6.3196   -8.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5913    6.3184   -9.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5488    7.1769  -10.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    6.6792  -12.0784 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6070    8.5165  -10.8300 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3669    4.3174   -7.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4830    4.0205   -6.6838 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8403    3.3612   -8.3782 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3474    2.0149   -8.4708 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0882    1.9731   -9.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4407    1.0503   -9.3972 P   0  0  1  0  0  0  0  0  0  0  0  0
    1.9742   -0.3440   -9.3867 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4411    1.6338  -10.8935 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1694    0.9600  -11.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2638    1.6268  -12.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0478    0.9882  -13.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7271   -0.3183  -13.8196 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6102   -0.9756  -13.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8257   -0.3323  -12.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8906    1.1647   -8.7128 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8630    0.3116   -9.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520   -1.0788   -8.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8603   -1.9172   -9.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9083   -1.3698  -10.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9591    0.0179  -10.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9526    0.8547   -9.8877 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  1  0  0  0  0
 24 26  4  0  0  0  0
 26 27  4  0  0  0  0
 21 27  4  0  0  0  0
 19 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 39 45  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  4  0  0  0  0
 54 55  4  0  0  0  0
 55 56  4  0  0  0  0
 56 57  4  0  0  0  0
 57 58  4  0  0  0  0
 53 58  4  0  0  0  0
 50 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  4  0  0  0  0
 61 62  4  0  0  0  0
 62 63  4  0  0  0  0
 63 64  4  0  0  0  0
 64 65  4  0  0  0  0
 60 65  4  0  0  0  0
M  END
$$$$
COVPDB858
  Mrv2015 05262116043D          

 29 32  0  0  0  0            999 V2000
    2.7288   -1.0056    5.3480 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9908   -0.3947    5.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4956   -0.9027    3.7644 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3769   -1.4220    3.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3491   -1.4918    4.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1852   -1.8410    1.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9157   -2.3362    1.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8972   -2.4738    2.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0979   -2.0239    3.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6282   -2.6721    0.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6947   -1.8235   -0.6841 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3021   -2.2438   -1.9688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2205   -1.4118   -3.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3584   -0.1165   -2.9276 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5991   -1.9930   -4.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312   -3.3182   -4.4376 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0960   -4.1142   -3.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4355   -3.5696   -2.2850 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2761   -5.3754   -3.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4368   -6.4930   -3.9176 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2639   -0.5379   -0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3623    0.5346   -0.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8914    1.8120    0.1394 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9022    2.7015    0.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6827    3.2739   -0.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7304    4.1580   -0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9921    4.4836    1.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2078    3.9274    2.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621    3.0438    1.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  1  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  5  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
 13 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 12 18  4  0  0  0  0
 17 19  1  0  0  0  0
 19 20  3  0  0  0  0
 11 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
M  END
$$$$
COVPDB859
  Mrv2015 05262115553D          

 23 23  0  0  0  0            999 V2000
  -11.2578   -8.6888   -0.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2014   -9.5770   -1.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8656   -9.0153   -2.5059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8712   -9.4831   -3.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2333  -10.0689   -4.3573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5010   -9.2067   -3.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1395   -8.2402   -2.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7948   -7.9089   -1.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7761   -8.5266   -2.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4991   -8.0897   -2.4174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9428   -7.1970   -3.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4293   -7.6052   -4.3473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9913   -5.7554   -2.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8153   -5.2512   -2.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0495   -3.7842   -1.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8867   -3.1760   -0.8013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1389   -1.6819   -0.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0424   -1.1027    0.2440 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0582    0.1828    0.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8278    1.1021    0.2542 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718    0.5606    1.2617 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1107   -9.5276   -3.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4613   -9.8652   -3.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  9 22  4  0  0  0  0
 22 23  4  0  0  0  0
  6 23  4  0  0  0  0
M  END
$$$$
COVPDB85
  Mrv2015 05262116123D          

 28 30  0  0  1  0            999 V2000
   -5.0839   -7.6564    0.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4133   -6.8520    1.3327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1633   -5.4891    0.9319 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3050   -4.6517    0.7024 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3676   -4.5056    1.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4738   -5.1874    2.5895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3891   -3.4880    1.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0512   -3.7735   -0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7744   -3.2141   -1.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5649   -3.6869   -2.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5167   -4.6473   -2.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3594   -4.9176   -0.3092 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9671   -5.2985   -0.0603 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0885   -4.1604   -1.4725 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3451   -3.6123   -1.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7215   -3.3127   -0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4290   -2.4051   -0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0946   -1.0973   -0.0522 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5928    0.0695    0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1074    1.1871    0.2728 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8358    0.1294   -0.1047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1951   -3.8078    0.9427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3032   -4.5783    0.9642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2650   -4.8151    1.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4057   -4.4914    3.0717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6282   -3.5314    2.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4614   -4.5275    3.0863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2979   -2.3767    2.5381 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 16 22  2  0  0  0  0
 22 23  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
$$$$
COVPDB860
  Mrv2015 05262116013D          

 35 37  0  0  1  0            999 V2000
   -4.4165   -9.1409   -1.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8693   -7.8576   -2.3649 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3564   -7.7821   -2.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9810   -6.8437   -2.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9699   -6.4935   -1.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0319   -5.4880   -2.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0802   -4.7600   -3.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1021   -5.1114   -4.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0312   -6.1319   -3.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1411   -3.7340   -3.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0600   -2.8924   -4.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1587   -1.8421   -4.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8979   -1.8460   -3.8749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4886   -0.7521   -5.3047 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1785    0.5198   -5.2342 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3326    1.4661   -6.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0776    0.9938   -7.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2364    0.9950   -8.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4785    0.5905   -9.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4103    0.1788  -10.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9007    0.1737   -9.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1433    0.5808   -8.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0528    1.1845   -3.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6703    2.1699   -3.6316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0334    0.7477   -3.0639 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3959    1.2466   -1.7663 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4338    2.2866   -1.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5978    2.1207   -1.5053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2064    1.7263   -0.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4911    1.7504    0.6624 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4370    2.7095    1.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5089    1.8057    2.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9338    0.5187    2.0541 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1726    0.4611    1.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8237   -0.5943    1.1347 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 15 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 30 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
$$$$
COVPDB861
  Mrv2015 05262116013D          

 32 34  0  0  1  0            999 V2000
    0.0181   -7.9949   -7.5503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2602   -7.0537   -8.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2087   -7.1824   -9.6585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4846   -5.9867  -10.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0560   -5.0684   -9.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5876   -5.6826   -7.9028 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6185   -5.5803   -6.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6390   -4.1758   -6.0352 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2703   -3.1707   -6.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6178   -2.2119   -7.3837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -4.0915   -4.7783 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0259   -4.7379   -3.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1332   -5.6184   -3.5872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6428   -4.3332   -2.3232 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1621   -3.9775   -2.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6750   -3.4512   -1.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8400   -4.3126    0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2181   -3.7996    1.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4506   -2.4224    1.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3280   -1.5588    0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9521   -2.0719   -0.9205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8860   -3.1979   -1.8863 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2566   -3.0531   -0.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2919   -3.9181    0.2128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5841   -1.8853   -0.5305 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1675   -1.4455    0.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6143   -0.0658    0.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9858    0.2592    0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3833    1.5604   -0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4153    2.5500   -0.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0494    2.2459   -0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3489    0.9474    0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
M  END
$$$$
COVPDB862
  Mrv2015 05262116013D          

 28 29  0  0  1  0            999 V2000
    5.1095    3.2808    0.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9265    2.7352    1.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4024    1.7868    2.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0530    1.4021    2.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2315    1.9581    1.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7533    2.8889    0.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    3.4291   -0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0150    4.6540   -0.4423 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0605    5.1643   -1.3921 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    4.8847   -2.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0515    5.4899   -3.2792 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6786    4.0224   -3.4191 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5994    3.6671   -4.8111 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6420    4.5040   -5.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8388    2.1447   -4.9567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8161    5.8115    0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324    6.3220    1.1409 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8495    6.2888   -0.7244 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7453    7.3659   -0.4127 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4018    7.1843    0.9072 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6106    6.8714    0.9991 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0696    8.7653   -0.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5959    9.0980   -2.0090 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7446    9.3863   -3.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446   10.8408   -3.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3829   11.2770   -2.8403 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8251   10.3468   -2.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7429   10.5358   -1.4630 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
$$$$
COVPDB863
  Mrv2015 05262116153D          

 19 20  0  0  0  0            999 V2000
    2.1354   -1.0458   -1.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6491   -0.2931    0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8804    1.1203    0.0607 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4867    1.8510    1.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3302    1.9266    2.2209 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0361    2.6032    3.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9054    2.6075    4.2696 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7885    3.2590    3.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4080    3.9091    4.6907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8364    4.5689    4.8008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2937    5.1714    5.9390 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5946    5.7720    6.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552    6.1752    6.7700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1848    6.0037    8.0069 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6976    4.5744    3.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3360    3.9304    2.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1027    3.2422    2.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    2.5372    1.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7425    2.4699   -0.1819 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  2  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 10 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
  8 17  4  0  0  0  0
 17 18  4  0  0  0  0
  4 18  4  0  0  0  0
 18 19  1  0  0  0  0
M  END
$$$$
COVPDB864
  Mrv2015 05262116093D          

 20 21  0  0  0  0            999 V2000
    1.5104   -0.0498   -0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0723   -0.0322   -0.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4036    0.6156    1.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6612   -0.0964    2.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1597    0.5750    3.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4161    1.9621    3.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1415    2.6988    2.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3426    4.1018    2.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1736    4.7857    1.1053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6589    2.0000    1.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9237    2.5752    4.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3645    2.5521    4.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8093    3.2926    5.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0068    4.6908    5.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4489    5.3262    6.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6748    4.5748    8.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4527    3.1801    8.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0342    2.6051    6.8647 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6446    2.3284    9.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4459    2.3081    9.9821 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  7 10  4  0  0  0  0
  3 10  4  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$
COVPDB865
  Mrv2015 05262116093D          

 34 38  0  0  1  0            999 V2000
   -0.1101    0.0431    0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2288   -0.0105    0.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9806   -1.1811    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4046   -2.2788    0.3369 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3235   -1.1972   -0.2006 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1615   -0.0585   -0.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4315   -0.7785   -1.0138 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0984   -2.3893   -0.4477 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8242   -1.9856   -1.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701   -2.4881    0.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1158   -1.4361    0.0723 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4031   -1.1710    0.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0549   -1.9243    1.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3821   -1.6261    1.8417 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0874   -0.5653    1.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4131   -0.2574    1.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1442   -1.1133    2.1898 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9525    0.9668    1.5007 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4059    0.1521    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1163   -0.1702   -0.0955 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9827    1.1847   -0.4981 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4317    0.8064   -1.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5690    0.8649   -2.8573 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0144    0.4618   -4.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3334   -0.0058   -4.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2184    0.0054   -3.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7723    0.4072   -1.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7589   -0.4521   -5.5346 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5669   -1.8056   -5.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3851   -2.3036   -6.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1602   -3.6912   -6.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1189   -4.5907   -5.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3130   -4.1001   -5.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5445   -2.7138   -5.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  4  0  0  0  0
 19 20  4  0  0  0  0
 12 20  4  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
M  END
$$$$
COVPDB866
  Mrv2015 05262116093D          

 33 36  0  0  1  0            999 V2000
   11.2494   -2.7582   -0.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1770   -1.9686   -1.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5066   -1.3389    0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7990   -1.5851    1.2310 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5209   -0.4409   -0.2589 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8034    0.3261    0.7164 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6498    1.4476    1.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5902    2.4302    1.8697 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4186    2.2005    1.0773 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6028    1.1168    0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2389    2.9146    1.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0038    3.8474    2.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478    4.4673    2.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6998    4.1788    1.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4043    4.7318    1.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2425    5.8122    2.2842 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2813    4.1173    1.2530 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0088    3.3152    0.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2289    2.7175    0.3190 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1183    3.0289   -0.6241 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3200    3.8224   -1.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1735    3.3962   -2.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3803    4.2120   -3.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7433    5.4676   -3.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8453    5.8683   -2.9794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6415    5.0550   -1.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9849    6.2923   -5.0578 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0494    7.1182   -4.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3556    6.7233   -5.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4540    7.5582   -4.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2511    8.8000   -4.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9507    9.2102   -3.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8535    8.3727   -4.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 14 18  4  0  0  0  0
 18 19  4  0  0  0  0
 11 19  4  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
M  END
$$$$
COVPDB867
  Mrv2015 05262116083D          

 20 21  0  0  1  0            999 V2000
   -3.9304    6.7512    0.3694 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8530    5.5529    0.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8130    5.2984    1.7438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7853    4.6285    0.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6518    4.9756   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692    4.0738   -0.2572 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7078    2.8032    0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7660    2.4597    0.9981 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7812    3.3056    1.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7396    2.7776    2.0724 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2595    1.8797   -0.0901 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2964    2.1085   -1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7411    0.6954   -1.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6693   -0.2403   -0.8977 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2749    0.5256    0.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4653   -0.3261   -1.7718 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4662   -1.2500   -1.6938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3728   -2.2182   -0.9022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6093   -1.1537   -2.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0262   -0.0346   -3.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
$$$$
COVPDB868
  Mrv2015 05262116093D          

 33 35  0  0  1  0            999 V2000
    1.4177   14.4739    1.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7874   14.3358    0.5281 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7773   15.3754    1.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3982   12.9137    0.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6565   14.7192   -0.8637 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3493   14.0014   -1.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110   14.6379   -3.0664 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0141   12.6328   -2.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9137   11.7272   -2.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6191   10.3523   -2.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4283    9.8414   -2.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5095   10.7599   -1.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7901   12.1407   -1.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112    8.4759   -2.1639 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3719    7.6492   -1.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7577    6.3681   -1.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0936    5.8718   -1.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878    6.6258   -1.0765 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3535    4.5586   -1.3314 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2519    5.5579   -0.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5863    5.9835   -0.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9598    7.2219   -1.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9470    7.9958   -1.5826 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2831    7.6249   -1.2133 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4306    6.8628   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6154    7.3870   -1.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9269    8.2270   -2.7237 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7084    8.7783   -1.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4850    7.3715   -3.7900 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9650    7.7871   -4.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0320    8.9987   -5.2946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3272    6.9174   -5.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1177    5.6111   -5.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 16 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 15 23  4  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
$$$$
COVPDB869
  Mrv2015 05262116103D          

 15 15  0  0  1  0            999 V2000
    3.3628   -2.0705    2.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.1442    1.8610 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4302    0.3036    2.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2287   -1.2252    0.2914 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9644   -2.5978   -0.1686 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3003   -0.3556   -0.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8475    0.3203   -1.4117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0856   -0.3221   -0.4254 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8513   -0.8110    0.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -0.4119    0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3581   -0.2691   -1.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9194    0.1469   -1.5045 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8041    1.7704   -1.8026 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184    2.7991   -0.7921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2628    2.2443   -3.1566 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
$$$$
COVPDB86
  Mrv2015 05262115583D          

 31 31  0  0  1  0            999 V2000
   -7.8047   16.2527    7.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0416   14.9106    7.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3816   14.0575    6.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6203   12.7063    6.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9768   11.8696    5.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2304   10.5127    4.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6023    9.6853    3.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8663    8.3224    3.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2346    7.4929    2.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4552    6.1564    2.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8059    5.2971    1.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8277    4.1100    0.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2567    3.2044   -0.1055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5187    1.7758   -0.1021 P   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9176    1.0464   -1.3140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8102    1.9858   -0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9792    0.6809   -0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4635    0.9992   -0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2800   -0.1715   -0.0712 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431   -0.1803   -0.0270 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.6036   -0.1909    0.0171 N   0  5  0  0  0  0  0  0  0  0  0  0
   -5.0033    0.9828    1.2078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3560    0.7463    1.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2414    1.6197    1.9087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6253    1.3706    1.9189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1749    0.2343    1.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5040    0.0108    1.2486 N   0  3  0  0  0  0  0  0  0  0  0  0
  -11.0167   -1.0064    0.6805 O   0  5  0  0  0  0  0  0  0  0  0  0
  -11.2817    0.7389    1.7325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2670   -0.6520    0.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8826   -0.4072    0.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  2  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 26 30  4  0  0  0  0
 30 31  4  0  0  0  0
 23 31  4  0  0  0  0
M  CHG  4  20   1  21  -1  27   1  28  -1
M  END
$$$$
COVPDB871
  Mrv2015 05262115573D          

 10  9  0  0  1  0            999 V2000
   -1.3917   -0.6059    3.3017 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9022    0.2755    2.2408 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7602   -0.3738    0.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2923   -0.6843    0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1956   -1.3279   -0.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3004   -2.5832   -1.0218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -0.7220   -1.9307 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3109    0.6045    2.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6879    1.8875    2.7531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1803   -0.2927    2.6310 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
$$$$
COVPDB872
  Mrv2015 05262115583D          

 12 11  0  0  1  0            999 V2000
    2.1003    3.1344   -3.7662 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9308    2.6848   -3.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5473    1.2634   -3.5675 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6152    0.3580   -3.2895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034    0.7133   -3.0076 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0336   -0.5378   -3.6555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8972    0.5598   -1.4545 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0731   -0.3725   -0.9746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3059    0.1386   -0.9248 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4625    0.2028    0.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5365    0.5382    1.3193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6319   -1.1984   -1.2991 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$
COVPDB873
  Mrv2015 05262116103D          

 41 44  0  0  1  0            999 V2000
   -2.2342   -5.8991    6.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8643   -6.6389    7.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1686   -6.3082    7.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8479   -5.2432    6.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2192   -4.5057    5.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9037   -4.8212    5.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2264   -4.0163    4.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6924   -4.2767    2.9410 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5449   -5.7719    2.5434 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4176   -5.9285    1.1183 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3829   -0.0148   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1371   -0.1669   -0.8249 N   0  0  2  0  0  0  0  0  0  0  0  0
    1.0825   -0.2621    0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3680   -0.4157   -0.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4638    0.6336   -1.7920 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3302    0.6845   -2.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0134    0.8791   -1.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 17 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 36 41  1  0  0  0  0
M  END
$$$$
COVPDB874
  Mrv2015 05262115453D          

 33 36  0  0  1  0            999 V2000
   -3.7255   -3.7446   -1.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4512   -4.9656   -2.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9791   -6.1710   -1.7586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2207   -7.4651   -2.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3060   -8.6760   -1.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500   -6.0758   -0.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7186   -6.1124    0.4551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7307   -5.9466   -0.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0900   -5.8577    0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -5.7223    0.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3132   -5.7941   -2.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8769   -5.8014   -3.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0982   -4.6890   -5.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1608   -5.9343   -7.5346 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3107   -7.1553   -7.9703 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7701   -7.8413   -6.6905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0295   -6.8411   -5.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6036   -6.8873   -4.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4511   -7.4731   -8.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -7.9719   -9.4577 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6469   -6.3164   -7.8465 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5274   -6.6545   -6.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0025   -7.0523   -6.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7807   -7.2249   -5.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2500   -7.6800   -5.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9386   -7.8804   -4.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5625   -8.8339   -3.6381 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9286   -7.1457   -4.1292 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  8 13  4  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 21  4  0  0  0  0
 21 22  4  0  0  0  0
 14 22  4  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
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 18 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
$$$$
COVPDB875
  Mrv2015 05262115403D          

 52 57  0  0  1  0            999 V2000
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  -13.4420   -3.5488   -0.1365 C   0  0  1  0  0  0  0  0  0  0  0  0
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  -15.8234   -4.0602   -0.3871 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6087   -3.4792   -2.4310 C   0  0  1  0  0  0  0  0  0  0  0  0
  -15.7939   -3.0493   -3.1023 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3563   -2.7223   -2.9718 C   0  0  2  0  0  0  0  0  0  0  0  0
  -13.0310   -3.0705   -4.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8606   -2.3885   -4.8929 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1982   -3.0764   -2.1897 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2657   -2.7726   -0.7819 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.9966   -3.1765   -0.2370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8630   -2.4071   -0.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8437   -1.4267    0.4784 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.2568   -1.5908   -2.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0299   -1.0755   -0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9009   -0.5314   -0.3485 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6019   -0.7213    0.0322 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7788    0.5697    0.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3731    1.2922    0.9040 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8707    0.9842    1.2171 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6218   -0.7521   -1.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5772   -1.9388   -2.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9236   -1.8564   -3.1169 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1789   -3.1590   -1.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951   -3.4091   -1.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5349   -2.3811   -1.6426 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9440   -4.7724   -1.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 29 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 34 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 40 44  1  0  0  0  0
 43 45  2  0  0  0  0
 42 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
M  END
$$$$
COVPDB876
  Mrv2015 05262115493D          

 40 42  0  0  1  0            999 V2000
   -9.9600    5.3053    3.0664 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4501    6.4958    2.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5420    6.5576    1.6332 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0980    5.3212    1.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1386    5.3231    0.4557 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6196    4.0646    1.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5448    4.1305    2.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9887    2.7895    1.6505 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1417    2.0735    2.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2591    2.8675    3.0683 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2213    2.4434    3.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9845    1.9009    3.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7759    1.6298    4.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6708    1.1442    3.3705 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0427    1.7034    4.8412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3366    0.6132    2.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1641    0.6002    3.3859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5745   -0.0147    1.6021 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6223   -1.5689    1.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9906   -2.2745    0.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5356    0.3583    0.6814 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7153    0.7316   -0.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8709    0.9192   -1.0730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5820    0.8631   -1.5737 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1536    0.4650   -1.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0747   -1.0606   -0.7876 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4418   -1.2978   -0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0343   -1.9423   -2.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5927    2.1499   -2.1978 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3397    3.3505   -1.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0321    3.4459   -0.3998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3939    4.5032   -2.3380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9222    4.6529   -3.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7023    6.0461   -4.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3883    6.5059   -4.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1608    7.8244   -4.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2450    8.7013   -4.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5555    8.2597   -4.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7834    6.9394   -4.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  1  7  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  7 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 35 40  4  0  0  0  0
M  END
$$$$
COVPDB877
  Mrv2015 05262115473D          

 28 31  0  0  1  0            999 V2000
   -6.6271    6.2956   -3.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0375    4.8198   -2.8333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9632    4.6286   -1.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3503    4.4656   -1.9163 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2532    4.2742   -0.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7866    4.2496    0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4187    4.4295    0.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5051    4.6132   -0.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2030    4.7902    0.0043 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2734    3.8085   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1133    4.1407    0.3146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5852    2.5387   -0.4508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8105    1.4060   -0.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7715    1.1844    0.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0657    0.4267   -1.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2373   -0.7099   -1.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1561   -0.8799   -0.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9536    0.0440    0.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7668   -0.2891    1.1791 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1107   -0.4303    2.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2009   -1.8458   -0.6196 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9919   -2.9208   -1.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4046   -1.6934    0.5625 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0084   -1.9351    0.3892 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6969   -0.8904   -0.1682 N   0  0  2  0  0  0  0  0  0  0  0  0
    2.0284   -1.3850   -0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7612    0.2276    0.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6618    0.8093    0.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 13 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 14 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 19 28  1  0  0  0  0
M  END
$$$$
COVPDB878
  Mrv2015 05262115453D          

 13 13  0  0  1  0            999 V2000
   -0.4541    0.8181    1.0681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0359    0.1832   -0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3664   -1.3400   -0.1088 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7415   -1.4422   -0.1181 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1785   -2.1481   -1.3319 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1515   -1.5118   -2.5666 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7122   -2.3795   -1.2254 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1517   -3.2337   -2.2807 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0965   -2.9857    0.1520 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4707   -2.1530    1.3027 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0490   -1.9701    1.1288 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6670   -2.7804    2.5089 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6885   -4.3537    0.2350 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
$$$$
COVPDB879
  Mrv2015 05262116103D          

 36 40  0  0  0  0            999 V2000
   -0.5038    3.7085  -10.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1760    2.4085  -10.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3092    1.5634   -9.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7773    1.9911   -7.9571 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1268    0.2757   -9.1678 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1142   -0.6787   -8.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2676   -1.4784   -8.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3591   -2.4227   -7.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2623   -2.5999   -6.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9124   -1.8517   -6.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9861   -0.8934   -7.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372   -3.1672   -6.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3677   -3.0976   -5.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3506   -4.0100   -5.8012 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2140   -4.6339   -6.9806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0891   -4.1417   -7.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9797   -5.5973   -7.5392 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6508   -6.0966   -8.7606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5466   -5.6505   -9.4526 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7389   -4.6834   -8.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6960   -4.2764   -9.4507 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2706   -6.1950  -10.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8520   -5.3023  -11.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2340   -2.2209   -4.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3300   -0.8214   -4.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1653    0.0445   -3.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8860   -0.4487   -2.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7869   -1.8567   -2.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9800   -2.7291   -3.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7247    0.4026   -1.2302 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0394    1.6819   -1.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9763    2.8279   -0.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4900    2.5445    0.5256 N   0  3  2  0  0  0  0  0  0  0  0  0
    4.3126    3.6524    1.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1824    1.2217    0.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2628    0.0825    0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  8 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 12 16  4  0  0  0  0
 15 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 16 20  4  0  0  0  0
 20 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 30 36  1  0  0  0  0
M  CHG  1  33   1
M  STY  1   1 DAT
M  SAL   1  1  14
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB87
  Mrv2015 05262115583D          

 33 33  0  0  1  0            999 V2000
   -8.2097   18.4272    8.8368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4492   17.0824    8.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7895   16.2292    7.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0253   14.8796    7.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3708   14.0329    6.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6125   12.6800    6.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9734   11.8466    4.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2334   10.4834    4.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6096    9.6548    3.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8758    8.2876    3.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2449    7.4585    2.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4522    6.1281    2.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8025    5.2597    1.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8031    4.0910    0.8843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2362    3.1676   -0.1353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5077    1.7336   -0.1205 P   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8942    1.0047   -1.3374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8012    1.9413   -0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9599    0.6402   -0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4400    0.9570   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3165   -0.2081   -0.0883 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4806   -0.2165   -0.0344 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.6408   -0.2221    0.0193 N   0  5  0  0  0  0  0  0  0  0  0  0
   -5.0035    0.9456    1.1873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3577    0.7176    1.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2297    1.5923    1.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6189    1.3575    1.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1817    0.2275    1.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5092   -0.0022    1.2496 N   0  3  0  0  0  0  0  0  0  0  0  0
  -11.0283   -1.0236    0.6952 O   0  5  0  0  0  0  0  0  0  0  0  0
  -11.2844    0.7127    1.7532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2832   -0.6654    0.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8968   -0.4312    0.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  2  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 28 32  4  0  0  0  0
 32 33  4  0  0  0  0
 25 33  4  0  0  0  0
M  CHG  4  22   1  23  -1  29   1  30  -1
M  END
$$$$
COVPDB880
  Mrv2015 05262116103D          

 22 24  0  0  0  0            999 V2000
   -0.7122    2.9316   -0.7637 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2909    2.7846    0.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2413    1.6018    0.9429 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3900    0.5344    0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8991   -0.6383    0.5886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281   -1.5099    1.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0090    0.6898   -1.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815    1.8967   -1.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0114   -0.1428   -2.3521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6122    0.5834   -3.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9421    1.8055   -2.9153 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5867   -1.4267   -2.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1993   -2.5596   -2.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4019   -3.8235   -2.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7959   -3.9629   -2.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5985   -2.8482   -2.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9804   -1.5836   -2.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9486   -3.0286   -2.3266 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8280   -2.3868   -1.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4301   -1.6547   -0.5603 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1954   -2.5582   -1.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8002   -2.9074   -2.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  4  0  0  0  0
  7  8  4  0  0  0  0
  1  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  8 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  11
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB881
  Mrv2015 05262115553D          

 13 13  0  0  1  0            999 V2000
    2.8010    1.4658   -2.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4056    0.1910   -1.9353 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1173   -0.2895   -0.6024 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7255   -0.6002   -0.3482 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1948   -1.6640   -1.3583 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2034   -1.8784   -1.1669 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655   -1.2126   -2.8210 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1032   -2.2536   -3.7293 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9627   -0.8434   -3.0050 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1870   -0.3528   -4.2712 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6003   -1.0575    1.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8041   -0.3936    1.9243 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2230   -2.0647    1.4573 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
$$$$
COVPDB882
  Mrv2015 05262115503D          

 19 20  0  0  0  0            999 V2000
   -1.7130    1.2071    2.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8722    0.9083    3.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8134   -0.4030    4.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5986   -1.4137    3.6348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4494   -1.1116    2.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5036    0.1957    2.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3241    0.4113    0.9584 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0679    1.1377   -0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0265    1.2515   -0.9668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8086    1.6995   -0.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6546    0.8854   -0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6488    1.3754   -0.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7383    0.6014   -0.5056 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.6934   -0.4798   -0.0635 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9085    0.9938   -0.8060 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7574    2.7177   -1.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3758    3.5346   -1.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6582    3.0396   -0.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9640    4.1149   -1.1076 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 12 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 10 18  4  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
$$$$
COVPDB883
  Mrv2015 05262115593D          

 10  9  0  0  1  0            999 V2000
    2.4803    0.1427   -0.7294 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9674    0.8941   -1.8291 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1025    2.0788   -1.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0761    1.6194   -0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414    1.5057    0.7120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098    1.2879   -1.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3538    0.8598   -0.3831 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4858    1.3806   -2.3668 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1144    1.2876   -2.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3775    2.4797   -2.9509 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
$$$$
COVPDB884
  Mrv2015 05262115593D          

 10  9  0  0  1  0            999 V2000
    2.4555    0.6182   -0.3511 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1507    1.4812   -1.4450 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6305    1.7883   -1.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1678    2.5134   -0.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2736    1.8405    0.6789 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2294    3.9181   -0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1648    4.5285    0.9893 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6482    4.6474   -1.0825 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    0.8219   -2.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4823    1.3517   -3.4095 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
$$$$
COVPDB885
  Mrv2015 05262115523D          

 32 36  0  0  1  0            999 V2000
   -2.5016    1.1398    8.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3518    0.3171    7.7896 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8679    0.5157    8.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9861   -1.2115    7.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4268   -1.9711    6.7984 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6076   -1.4779    5.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4290   -0.1875    5.3324 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0564    0.7984    6.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6194   -0.0221    3.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5539    1.1208    3.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8089    0.9795    1.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0927   -0.2871    1.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1543   -1.4264    2.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9378   -1.2633    3.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9763   -2.1676    4.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2888   -3.3780    4.4395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4472   -0.4340   -0.5013 S   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8911    0.8186   -1.3336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0457   -0.4291   -0.6565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7983   -1.9577   -1.1466 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6676   -2.7442   -2.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8945   -2.8714   -3.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4160   -2.8154   -2.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3706   -2.1597   -1.5408 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3654   -0.9706   -1.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1461   -0.5450   -0.1196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1164    0.3524    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2308   -0.0505   -0.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2780    0.8740    0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9848    2.2097    0.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6475    2.6168    0.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3986    1.6891    0.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  2  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
M  END
$$$$
COVPDB886
  Mrv2015 05262115443D          

 33 34  0  0  1  0            999 V2000
    9.3633   -6.3749    8.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2828   -7.1939    8.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5138   -8.3394    7.5720 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0257   -6.6906    7.9143 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0725   -6.6791    8.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7149   -6.0708    8.5165 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1310   -6.9164    7.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6321   -6.1409    6.6421 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6193   -5.9878    8.1499 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6870   -4.7501    8.3359 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7726   -3.7211    7.3459 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1290   -2.5259    7.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7766   -2.3297    8.2690 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5913   -1.4012    6.5826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0982   -1.4429    5.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7636   -0.3187    4.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1432   -0.1723    2.8498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    0.9741    2.0184 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6215    2.2415    2.6676 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    3.3405    2.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    3.3220    1.6872 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1071    4.5775    3.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2365    5.0640    2.8917 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2263    1.0453    0.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0957    1.2825    0.4847 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9505    0.9173   -0.3595 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5869   -4.4396    9.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931   -3.4962   10.2695 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4143   -5.4620    9.2035 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6890   -5.9069    9.7026 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2073   -5.0133   10.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3595   -5.4647   12.0357 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5251   -3.8272   10.5235 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 10 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  9 29  1  0  0  0  0
 29 30  1  0  0  0  0
  6 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
$$$$
COVPDB887
  Mrv2015 05262115413D          

 35 36  0  0  1  0            999 V2000
   -3.5015    5.7647   -2.0884 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1410    5.2141   -3.4089 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3476    3.8747   -3.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9649    2.9090   -2.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3278    2.5864   -1.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9362    1.7129   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1871    1.1423   -0.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8225    1.4360   -1.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2131    2.3087   -2.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3964    6.2498   -4.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292    5.9263   -4.9036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7287    7.5667   -4.0398 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9574    8.6720   -4.5375 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8378    9.9583   -4.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0415    9.8971   -5.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8089    9.9714   -6.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0536    9.8574   -7.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3716    9.7014   -6.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4819    9.6612   -5.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3556    9.7558   -4.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6626    8.8342   -3.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1196    9.7353   -4.1885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3254    8.0107   -2.7642 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8973    7.9010   -2.0209 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2284    8.3310   -2.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4968    7.7601   -2.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8226    8.0739   -2.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8733    7.2973   -2.1749 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1097    7.1587   -2.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6189    7.9024   -3.6042 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8471    6.2474   -2.1415 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7193    8.5160   -0.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310    7.7769    0.3300 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4196    9.9618   -0.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2459   10.3788    1.0629 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 13 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 24 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
$$$$
COVPDB888
  Mrv2015 05262116103D          

 24 25  0  0  1  0            999 V2000
  -10.7637    1.6671    7.2605 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3975    2.3595    6.0623 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.8290    1.4535    4.8718 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.1575    1.7744    4.1709 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.9473    3.0975    4.5006 C   0  0  2  0  0  0  0  0  0  0  0  0
  -12.5422    3.7787    5.8534 C   0  0  1  0  0  0  0  0  0  0  0  0
  -13.2113    3.1763    6.9653 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0168    3.7785    6.1487 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.3282    4.7183    5.3305 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4273    2.9270    4.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0405    1.7184    4.4353 O   0  5  0  0  0  0  0  0  0  0  0  0
  -15.1764    3.9289    4.3839 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8656    1.7402    3.4144 N   0  0  1  0  0  0  0  0  0  0  0  0
  -10.2726    2.9539    2.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7297    3.0835    2.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9171    2.0650    2.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3855    2.2272    2.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5436    1.3076    1.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0161    1.5020    1.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1715    0.5961    0.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6490    0.7951    0.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9413   -0.0386   -0.0387 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2220   -0.0797   -0.0815 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3816   -0.1216   -0.1252 N   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  4 13  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  2  0  0  0  0
M  CHG  3  11  -1  23   1  24  -1
M  END
$$$$
COVPDB889
  Mrv2015 05262116093D          

 33 36  0  0  1  0            999 V2000
   -1.0212   -0.4640    7.5163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2935   -0.1082    6.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7299    0.9325    5.8239 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1666   -0.8788    5.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8910   -1.9734    5.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7478   -2.7410    5.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8922   -2.4435    3.8248 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2218   -1.4146    3.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2915   -1.0832    1.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4743   -0.0157    1.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6694    0.5604    2.9468 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3631   -0.6263    4.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2803    0.5123    0.1179 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9076    0.8948   -0.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0676   -0.1666   -0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4831    0.4610   -0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6252   -0.4864   -0.0429 N   0  0  2  0  0  0  0  0  0  0  0  0
    3.9307    0.2408    0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0964   -0.7120    0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2120   -1.8703   -0.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8566   -2.6010   -0.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7211   -1.6058   -1.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1485    1.7088   -0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2877    1.6690   -0.9195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1383    2.7836   -1.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8693    3.9534   -0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7246    4.0352    0.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5217    5.1696    1.2493 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3317    5.7960    1.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2838    5.4557    0.8971 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2370    6.8503    2.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0618    7.0580    3.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8673    2.9156    0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  4 12  4  0  0  0  0
  8 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 27 33  4  0  0  0  0
 23 33  4  0  0  0  0
M  END
$$$$
COVPDB88
  Mrv2015 05262115583D          

 35 35  0  0  1  0            999 V2000
   -8.6052   20.5585   10.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8452   19.2149   10.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1899   18.3675    8.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4273   17.0199    8.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7762   16.1793    7.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0115   14.8329    7.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3611   13.9926    6.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6062   12.6391    6.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9716   11.8109    4.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2331   10.4479    4.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6083    9.6179    3.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8729    8.2523    3.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2415    7.4239    2.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4439    6.0986    2.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7977    5.2329    1.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7974    4.0670    0.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2363    3.1431   -0.1520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5028    1.7117   -0.1265 P   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8801    0.9728   -1.3398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7985    1.9287   -0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9589    0.6291   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4413    0.9476   -0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3144   -0.2173   -0.0945 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4784   -0.2222   -0.0373 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.6385   -0.2243    0.0201 N   0  5  0  0  0  0  0  0  0  0  0  0
   -5.0010    0.9340    1.1864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3543    0.7130    1.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2242    1.5898    1.8948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6127    1.3549    1.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1750    0.2242    1.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5015   -0.0042    1.2509 N   0  3  0  0  0  0  0  0  0  0  0  0
  -11.0222   -1.0260    0.7009 O   0  5  0  0  0  0  0  0  0  0  0  0
  -11.2750    0.7071    1.7627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2806   -0.6670    0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8942   -0.4344    0.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  2  0  0  0  0
 18 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 30 34  4  0  0  0  0
 34 35  4  0  0  0  0
 27 35  4  0  0  0  0
M  CHG  4  24   1  25  -1  31   1  32  -1
M  END
$$$$
COVPDB890
  Mrv2015 05262115483D          

 28 29  0  0  1  0            999 V2000
    1.5550   -7.6846    1.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2599   -7.7187    0.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0543   -7.4073   -0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2374   -7.4523   -1.7591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6217   -6.8437   -2.1569 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9467   -7.0165   -3.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0305   -7.1812   -4.4458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3434   -7.0174   -4.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9240   -5.3686   -4.2939 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -5.4549   -1.7833 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4590   -4.9114   -0.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1354   -3.5615   -0.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2143   -3.3729   -1.7234 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9672   -4.5071   -2.3005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6823   -2.5234    0.1730 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5828   -3.0611    1.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1916   -2.2155   -0.2103 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8865   -1.1772    0.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3962   -1.7824   -1.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9095   -1.2975    0.0711 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5707   -1.1244    0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1151   -2.1143    0.6750 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0722    0.1422    0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6594    1.3576    0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0057    2.5971   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3962    2.6465   -0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450    1.4618   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4880    0.2274    0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
M  END
$$$$
COVPDB891
  Mrv2015 05262116103D          

 38 42  0  0  0  0            999 V2000
   -4.6010    1.3937    5.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8734    2.5429    4.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8933    3.3563    3.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6813    3.0498    3.9046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2836    4.5044    3.1529 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5066    5.4256    2.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3603    5.0473    1.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4890    6.0035    1.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8697    7.3625    1.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0467    7.7494    1.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8597    6.8009    2.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0391    7.2655    3.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724    5.5978    0.6433 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0386    5.8677   -0.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7844    6.5970   -1.3914 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0458    5.2904   -1.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8568    4.3760   -0.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6457    4.1249    0.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388    4.8467    1.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4226    3.1451    1.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2503    2.9166    2.6423 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034    3.6428    3.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6365    4.6938    2.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0524    5.5287    3.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1469    5.2232    5.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5306    4.1113    5.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    3.3426    4.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4340    3.7926    7.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3152    2.4485    7.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2720    2.1234    8.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3419    3.1290    9.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4022    4.4766    9.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4614    4.8012    8.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3492    2.7230   11.1348 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7101    3.6840   12.5093 S   0  0  1  0  0  0  0  0  0  0  0  0
    1.9856    4.6122   12.2203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5592    4.5990   12.8588 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893    2.5861   13.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 11 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  2  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 13 19  4  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 19 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 26 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 28 33  4  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  2  0  0  0  0
 35 38  1  0  0  0  0
M  END
$$$$
COVPDB892
  Mrv2015 05262116103D          

 46 48  0  0  1  0            999 V2000
   -4.2747   -6.8878   -8.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3364   -6.3714   -7.2987 N   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9256   -5.9774   -6.0642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9033   -4.6671   -5.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2623   -3.7802   -6.4977 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4799   -4.2728   -4.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0005   -4.6357   -4.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5950   -4.4384   -2.5087 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3278   -3.0587   -2.1755 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0080   -2.6106   -0.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1173   -3.3648    0.0745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4852   -1.3528   -0.7775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0094   -0.7820    0.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1821    0.4231    0.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2311    0.3617    0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0159    1.4959   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3979    2.7127   -0.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0045    2.7943   -0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7895    1.6570   -0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3971   -5.2643   -2.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5672   -6.4185   -1.7352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1643   -4.7097   -2.3699 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1215   -5.1391   -1.9110 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1356   -6.0771   -0.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5238   -6.2228    0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4967   -7.1965    1.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8421   -7.2398    2.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8091   -8.2032    3.1267 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9031   -5.5297   -3.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2370   -4.6069   -3.8996 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3020   -6.8409   -3.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6205   -7.8335   -3.0918 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4523   -7.0049   -4.1443 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0568   -8.2616   -4.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3014   -8.0448   -5.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4701   -8.6138   -6.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6436   -8.3758   -7.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648   -7.5709   -6.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5132   -7.0014   -5.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3449   -7.2476   -4.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5783   -7.0473   -7.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6918   -8.4358   -7.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9515   -9.0628   -7.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1083   -8.3020   -7.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0058   -6.9164   -7.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7442   -6.2944   -7.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 14 19  4  0  0  0  0
  8 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 35 40  4  0  0  0  0
  2 41  1  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 43 44  4  0  0  0  0
 44 45  4  0  0  0  0
 45 46  4  0  0  0  0
 41 46  4  0  0  0  0
M  END
$$$$
COVPDB893
  Mrv2015 05262116103D          

 28 30  0  0  1  0            999 V2000
   -3.5646   -4.4525    2.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1005   -3.9981    2.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9727   -2.5257    2.0471 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7368   -2.2835    0.8146 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724   -2.1035    1.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1570   -1.0747    2.3860 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2085   -2.7887    0.9093 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5031   -2.3878    0.4338 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4017   -1.8923   -1.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1831   -3.1821   -0.7128 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6688   -4.5471   -0.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0158   -5.5887   -0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6423   -6.9151   -0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9001   -7.2332   -1.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5271   -6.1826   -2.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9139   -4.8553   -2.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5549   -8.5826   -1.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -9.5874   -1.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164  -10.9238   -2.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1190  -11.3001   -2.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1141  -10.2932   -2.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7831   -8.9539   -2.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4547  -12.7259   -2.6679 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5593  -13.3914   -1.4701 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100  -13.3455   -3.4289 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6351  -12.8909   -3.3560 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4029   -1.7608    1.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1610   -1.2503    1.9634 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
  8 27  1  0  0  0  0
 27 28  3  0  0  0  0
M  END
$$$$
COVPDB894
  Mrv2015 05262116103D          

 37 41  0  0  1  0            999 V2000
    4.4618   10.6461    5.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3057   10.1295    3.7804 N   0  0  1  0  0  0  0  0  0  0  0  0
    5.6188    9.9313    3.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4304    9.4374    1.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5683    8.2241    1.6085 N   0  0  1  0  0  0  0  0  0  0  0  0
    3.2433    8.4439    2.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4235    8.9253    3.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4175    7.5920   -0.0422 S   0  0  1  0  0  0  0  0  0  0  0  0
    3.7135    8.6926   -0.9735 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8928    7.3065   -0.6074 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5096    6.0726   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8593    5.0606    0.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584    3.8433    0.8798 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1013    3.6056   -0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7533    4.6364   -0.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4487    5.8591   -0.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4068    2.3621   -0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0077    2.3158   -0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6940    1.0905    0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0187   -0.1223    0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.0868    0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1141    1.1380    0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6610   -1.4265    0.3050 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9766   -1.7880   -0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6497   -2.3890   -0.9085 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2774   -1.8905   -2.1948 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7871   -2.3175   -3.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6031   -3.2724   -3.3947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4484   -1.6701   -4.6970 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7321   -1.1776   -5.2405 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4902   -0.4175   -4.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9798   -0.7492   -4.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103   -1.7671   -5.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6032   -3.1024   -5.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1287   -2.6926   -5.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3874   -3.7020   -0.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1611   -4.8003   -0.3749 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
 14 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 29 35  1  0  0  0  0
 25 36  1  0  0  0  0
 36 37  3  0  0  0  0
M  END
$$$$
COVPDB895
  Mrv2015 05262116093D          

 18 19  0  0  1  0            999 V2000
   -0.4866   -3.4396   -1.8902 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3716   -3.0470   -2.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0472   -1.6642   -3.5404 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0196   -0.5554   -2.4522 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2498   -0.5349   -1.7047 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0053    0.5942   -2.5463 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7055   -1.2730   -4.8544 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1077   -0.4073   -5.6508 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0757   -0.5808   -4.6086 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9891   -1.4934   -4.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9683    0.7195   -3.7512 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4954    1.8179   -4.5420 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2399    2.7415   -5.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5722    3.5767   -5.8657 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7222    2.8199   -5.2213 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1875    3.7835   -6.0858 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1786    3.1397   -3.9646 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2755    1.6282   -5.6225 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
$$$$
COVPDB896
  Mrv2015 05262116093D          

 21 24  0  0  1  0            999 V2000
    1.2106    0.2134    0.1371 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0686    0.1243    0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2322    0.0137   -0.0299 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7094   -0.8435   -1.1507 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3219   -2.3475   -1.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5158   -3.0711   -0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6293   -2.1719   -0.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1790   -0.9267   -1.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0053   -2.4443   -0.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9350   -1.4502   -0.9181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4936   -0.1823   -1.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1025    0.0768   -1.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4297    0.8173   -1.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3555    0.5956   -2.6952 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2700    1.5374   -3.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2991    2.7520   -2.4546 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4619    2.0709   -1.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4090    3.0145   -1.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7197    2.6350   -0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2419    3.9099    0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2537    4.1130   -0.7114 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  4  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 13 17  4  0  0  0  0
 17 18  4  0  0  0  0
 16 18  4  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 18 21  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  21
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB897
  Mrv2015 05262116103D          

 38 42  0  0  1  0            999 V2000
    3.4739    3.4981    1.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5213    4.2544    2.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2093    5.5871    2.4711 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5353    5.8258    2.0082 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2658    4.1840    1.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0204    3.6607    0.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0028    3.0636    1.8714 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6361    1.9755    2.6330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2354    2.5176    1.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4025    2.5901    0.0074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1866    1.9089    2.0221 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3531    1.2584    1.5044 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1705    0.0180    0.9409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0159   -1.0176    0.4714 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3896    2.1823    0.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7398    1.4817    2.1630 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8728    2.3091    3.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1954    1.9424    4.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3448    2.7034    5.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1791    3.8436    5.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8665    4.2027    4.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7229    3.4370    3.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3359    4.6108    6.9409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8285    4.0240    8.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0046    4.7990    9.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6797    6.1707    9.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1758    6.7564    8.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0078    5.9842    6.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9051    7.1566   10.7431 S   0  0  1  0  0  0  0  0  0  0  0  0
   -7.4510    7.1453   11.1736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0417    6.5498   11.9517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3785    8.8115   10.3829 N   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4693    9.8196   10.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9380   11.1682    9.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7373   11.6032   10.5834 N   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2808   12.9752   10.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6408   10.5896   10.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1406    9.2375   11.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  3  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 20 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
 26 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 32 38  1  0  0  0  0
M  END
$$$$
COVPDB898
  Mrv2015 05262116123D          

 14 15  0  0  0  0            999 V2000
   -0.2595    1.6405   -1.6255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7592    1.3415   -1.6035 B   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3713    0.4787   -2.7116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6722    2.0635   -0.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9738    3.1901   -0.8963 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5901    1.9450    0.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5308    2.7109    1.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4015    3.4787    0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6618    2.7630    2.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6539    3.5811    3.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5206    4.3334    2.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3996    4.2922    1.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8047    3.6244    5.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7426    2.5814    5.4685 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  5  8  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  CHG  1  14   1
M  END
$$$$
COVPDB899
  Mrv2015 05262115463D          

 14 14  0  0  0  0            999 V2000
   -3.3450    1.8996   -3.3380 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3834    1.0048   -3.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2620    1.3163   -3.8423 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.6342   -0.1693   -2.7340 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7608   -1.3038   -2.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1592   -2.2910   -1.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4166   -2.9379   -1.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7871   -3.8946   -0.7677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9017   -4.2303    0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6502   -3.5913    0.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2847   -2.6293   -0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2980   -5.3251    1.3376 B   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2500   -4.9716    2.4835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9772   -6.7951    1.0592 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1   3   1
M  END
$$$$
COVPDB89
  Mrv2015 05262116133D          

 33 36  0  0  1  0            999 V2000
   -3.9350   -1.7241    8.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4448   -1.4493    7.3538 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5881   -0.4727    6.7643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4454   -2.7224    6.4607 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0969   -2.5535    5.0382 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7151   -3.2496    3.6993 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3515   -3.9873    3.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8575   -4.1410    3.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1598   -4.8721    1.9316 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4875   -3.8760    1.1446 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.9358   -4.4855   -0.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4760   -3.5919   -1.2932 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4950   -2.6549   -0.7089 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0356   -2.4619    0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0985   -3.1671   -0.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8977   -4.3178   -1.2113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0954   -2.3914   -0.2433 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7783   -2.7106   -0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1004   -1.9499    0.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7618   -2.2318    1.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828   -3.2821    0.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7201   -4.0489   -0.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0635   -3.7338   -0.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0400   -5.1042   -1.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6756   -5.9099   -1.9448 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1744   -5.3463   -0.8675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5852   -4.3117    4.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9561   -3.5743    5.4625 N   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5207   -3.6922    6.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7679   -4.4836    7.6488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6954   -5.0999    4.8333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1804   -5.9817    3.9286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2970   -5.0199    5.9288 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
  8 27  2  0  0  0  0
 27 28  1  0  0  0  0
  5 28  1  0  0  0  0
 28 29  1  0  0  0  0
  4 29  1  0  0  0  0
 29 30  2  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
$$$$
COVPDB8
  Mrv2015 05262116003D          

 35 36  0  0  1  0            999 V2000
    1.1410    0.8556   -0.6236 N   0  5  0  0  0  0  0  0  0  0  0  0
    0.0096    0.6705   -0.4370 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.1255    0.4817   -0.2555 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8537    1.0465    0.7866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2928    0.7153    0.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0991    1.4667    1.3194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7334   -0.3774    0.0361 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0986   -0.7655   -0.1452 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2566   -1.4439   -1.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6342   -1.6448    0.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7859   -1.3466    1.3407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0260   -2.7856    1.4508 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7699   -3.8297    2.1079 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8267   -5.0599    2.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4180   -4.4650    1.9927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6396   -3.1139    1.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4675   -3.4731    3.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7180   -3.5498    3.3917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9769   -3.0714    4.5986 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6283   -2.8875    5.0351 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6141   -1.7265    6.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0510   -4.1326    5.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8597   -4.1002    6.0017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7888   -5.2824    5.6883 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3767   -6.6390    5.9301 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8837   -6.9761    5.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5577   -8.4965    5.3960 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0329   -8.7641    5.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0722   -9.0466    4.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8435   -7.0915    7.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0242   -7.5202    8.1178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2798   -7.0629    7.6444 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.3395   -7.6902    6.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7173   -5.9456    8.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5524   -7.2908    9.0385 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 32 35  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
$$$$
COVPDB900
  Mrv2015 05262115453D          

 20 19  0  0  0  0            999 V2000
   -0.1239   -1.3697   14.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6115    0.0529   14.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0948    0.1736   12.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5834    1.6052   12.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0661    1.7234   10.7137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5589    3.1485   10.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0387    3.2517    8.8682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5314    4.6765    8.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0113    4.7813    7.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5021    6.2066    6.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9824    6.3152    5.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4721    7.7447    4.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9558    7.8678    3.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4454    9.2963    3.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9221    9.3965    1.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4153   10.8147    1.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9686   10.8952   -0.5953 S   0  0  1  0  0  0  0  0  0  0  0  0
   -9.2223    9.8267   -0.8352 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4800   12.3745   -0.9350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7642   10.5052   -1.5768 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  2  0  0  0  0
M  END
$$$$
COVPDB901
  Mrv2015 05262115443D          

 29 30  0  0  1  0            999 V2000
    3.7698   -9.1686    7.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9933   -7.6261    7.1998 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4033   -7.2986    6.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7890   -6.7868    6.0885 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2179   -5.4971    7.2406 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6881   -4.0051    7.2406 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4440   -3.5734    6.1090 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4576   -2.3154    5.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7131   -1.4093    6.0382 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4290   -2.0096    4.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1429   -2.7503    3.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4055   -2.8102    2.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1551   -3.4645    0.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4658   -3.8151    0.1302 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3402   -2.6798    0.0705 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7004   -2.7261    0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3135   -3.8169   -0.0827 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4668   -1.4698    0.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0518   -0.5259   -0.9456 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1686   -4.3120   -1.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4890   -3.5485   -2.1233 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5295   -5.4566   -1.5934 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5703   -4.4241    8.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4482   -3.8321    8.9972 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2004   -5.6958    8.2325 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7771   -6.9421    8.6046 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8942   -7.6365    9.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3915   -8.0960   10.7455 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6783   -7.8256    9.3435 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  6 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  5 25  1  0  0  0  0
 25 26  1  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
$$$$
COVPDB902
  Mrv2015 05262115583D          

 12 12  0  0  0  0            999 V2000
   -1.2290   -1.6873   -0.5721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1170   -0.9149   -0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8815   -1.3592   -1.1950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067    0.3550    0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1032    0.7060    0.7128 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0116    1.3169   -0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2251    0.9165    0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3072    0.2600   -0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4398   -0.1362    0.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5061    0.1188    2.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4526    0.7960    2.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3189    1.1886    2.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
M  END
$$$$
COVPDB903
  Mrv2015 05262116123D          

 38 42  0  0  1  0            999 V2000
    1.3748   -4.6911   -0.1080 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3796   -4.5467    0.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4367   -3.4222    0.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6664   -3.3606    0.6972 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2710   -2.5588   -0.4698 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1761   -3.6449   -1.0815 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1714   -1.5684    0.0757 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5395   -1.8677   -0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930   -2.9183   -1.3761 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4523   -2.3215   -2.6182 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8535   -0.4233    0.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8012    0.2206    1.3205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4948    0.1967    1.0087 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2885   -0.3212    2.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5780   -0.1954    3.6327 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2413   -1.1388    4.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5526    1.2688    4.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2846    0.0558   -0.1788 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4729    0.9640   -1.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051    0.5234   -2.2174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    2.3377   -1.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3364    2.9406   -2.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1344    4.3354   -2.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7481    5.1495   -1.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5133    4.5348   -0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7120    3.1480   -0.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7115    6.6135   -1.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8499    7.4131   -0.8080 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4777    8.7389   -0.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2340    8.9838   -1.3693 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5458    7.2560   -1.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3775    9.7264   -0.5411 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4889    9.4641    0.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8199    9.6928   -0.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8340   11.0557   -1.0100 N   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1329   11.3790   -1.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6492   11.3081   -1.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3245   11.0432   -1.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 24 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 27 31  4  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 32 38  1  0  0  0  0
M  END
$$$$
COVPDB904
  Mrv2015 05262115463D          

 26 25  0  0  1  0            999 V2000
   -2.0526    3.7228    3.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1685    3.4865    1.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1312    2.3213    1.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1703    2.0251    0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4096    2.9595   -0.6424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9877    0.7999   -0.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8836   -0.5165    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8827   -1.3924   -0.6734 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1986   -2.8990   -0.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1946   -3.7005   -1.1592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4509   -5.2773   -1.0706 P   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5242   -5.7007    0.4543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3556   -5.9855   -1.7410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8436   -5.5794   -1.7919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3233   -6.9355   -1.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6228   -7.0027   -2.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4213   -8.2976   -2.6328 N   0  3  2  0  0  0  0  0  0  0  0  0
   -6.6102   -8.0895   -3.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9432   -8.6761   -1.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5962   -9.4321   -3.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5166   -1.1921   -0.2607 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2422   -0.0556   -0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2239    1.0263   -0.7488 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356   -0.1078    0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6637    0.4303   -0.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1305    0.2894   -0.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  CHG  1  17   1
M  END
$$$$
COVPDB905
  Mrv2015 05262115483D          

 22 22  0  0  1  0            999 V2000
    0.8607   -2.6519   -2.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4553   -1.9574   -1.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0849   -2.6302   -0.3199 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2968   -0.6117   -1.0458 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7531    0.2017    0.0411 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1423    1.6007   -0.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6642    0.2400    1.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8350   -0.3447    2.1432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5182    0.8508    0.7469 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7070    0.8320    1.5478 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8638    0.9050    0.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0037    1.9322   -0.0955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8519   -0.1928    0.4493 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6836   -0.4817    1.9773 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138   -1.4925   -0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7463    1.9879    2.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6370    1.9235    3.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4288    2.8547    3.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4865    2.7744    4.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4983    1.7575    5.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483    0.8234    5.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6182    0.9125    4.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
M  END
$$$$
COVPDB906
  Mrv2015 05262115503D          

 29 30  0  0  1  0            999 V2000
    2.5318    1.5797    3.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759    1.8000    2.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5022    2.8749    1.8316 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2822    0.8292    1.1878 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793    0.9043   -0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0905   -0.2987   -1.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0300   -1.5727   -0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435   -2.6389   -1.3556 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6103   -2.7580   -2.6925 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8975   -1.3614   -3.6145 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3204   -0.0128   -2.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9306   -4.1622   -2.7322 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6816   -4.2351   -3.4244 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0558   -5.3610   -3.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4016   -6.4954   -3.3285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4606   -5.2177   -4.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6355   -4.6272   -5.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0915   -4.1382   -5.7137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3769   -3.7049   -7.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7995   -3.0985   -7.3692 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8459   -4.0443   -6.9493 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0450   -2.7065   -8.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0471   -3.6391   -9.7557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2646   -1.5118   -9.0778 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6670   -3.8941   -1.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0633   -4.5601   -0.4480 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7837   -1.8695    0.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6513   -2.6425    1.4968 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7485   -1.4635    1.3784 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 12 25  1  0  0  0  0
  8 25  1  0  0  0  0
 25 26  2  0  0  0  0
  7 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
$$$$
COVPDB907
  Mrv2015 05262115503D          

 25 26  0  0  1  0            999 V2000
   -5.2767    0.3929    3.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0518    1.2493    2.9567 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7663    2.3276    4.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5491    0.1885    2.8476 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9598    0.7252    1.2088 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8018    1.7494    0.9755 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0090    2.0417    2.1160 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3397    2.3244    2.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9989    2.2892    1.0239 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0078    2.7320    3.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1488    1.5634    4.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4832    2.0750    5.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6755    0.9421    6.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5239    1.4336    8.3024 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4193    2.5621    8.6001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7889    0.3478    9.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0329   -0.1742    9.3952 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8730   -0.1050    9.9938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8749    2.7303    0.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8850    3.9715    0.6497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8200    1.8353    1.0788 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1677    1.9034    1.5274 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0689    1.2596    0.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1405    1.9292    0.0568 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.8749    0.0980    0.1141 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  CHG  1  24  -1
M  END
$$$$
COVPDB908
  Mrv2015 05262116123D          

 32 36  0  0  1  0            999 V2000
   -4.9913   -7.9595   -4.9779 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.4337   -9.0685   -5.9118 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9261   -9.3365   -4.5926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9317   -9.4278   -6.0561 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.1987   -9.8036   -7.4046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8561   -8.2466   -5.6612 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.2109   -8.6972   -5.6866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4850   -7.6916   -4.2574 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.4400   -6.6991   -3.8808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0387   -7.0908   -4.2230 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5572   -6.8261   -2.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2848   -6.1731   -2.6747 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0284   -4.8821   -2.9341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6785   -4.6972   -2.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2018   -5.8884   -2.2865 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1794   -6.7416   -2.3005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9080   -3.4437   -2.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5950   -2.8734   -1.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8337   -1.5280   -1.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172   -1.0766   -0.0532 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0626    0.1095    0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4661    0.1176    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1695    1.3336    0.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4820    2.5686    0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0684    2.5495    0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6330    1.3334    0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1909    3.8007    0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1531    4.1312    1.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8589    5.3479    1.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6181    6.2470   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655    5.9296   -0.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9566    4.7183   -0.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 12 16  4  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 24 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
M  END
$$$$
COVPDB909
  Mrv2015 05262116123D          

 31 34  0  0  1  0            999 V2000
   -0.4545   -2.5377   -1.4724 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4814   -2.4043   -0.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8302   -1.9929   -1.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5307   -1.7870    0.2049 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8088   -2.4783    1.2387 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3509   -2.6312    0.7846 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3097   -3.9189    1.4846 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1364   -4.0028    2.5826 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0215   -4.7465    1.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0606   -3.9524    1.1715 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3836   -4.3604    1.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2457   -3.5615    0.6993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9018   -5.6492    1.7029 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9378   -6.3721    0.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5432   -6.5104   -0.7342 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7397   -7.0166   -1.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2916   -7.4021   -0.9663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4980   -5.2245    2.9389 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9312   -5.2720    4.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0303   -6.1133    4.4184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2373   -4.2601    5.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2668   -3.3126    4.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3758   -2.1508    5.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4799   -1.9020    6.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5629   -2.9273    7.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4386   -4.0804    6.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4608   -0.6301    7.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8257   -0.2566    8.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8560    1.1127    8.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5229    1.9193    8.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1305    0.8606    6.7620 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 24 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 27 31  4  0  0  0  0
M  END
$$$$
COVPDB90
  Mrv2015 05262115583D          

 28 31  0  0  1  0            999 V2000
   -0.9328    2.9823   -1.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3755    1.5795   -0.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2523    1.1251   -0.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4017   -0.1599   -0.2187 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6467   -0.5985   -1.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9635    0.5017   -1.7846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0065    0.5336   -2.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3329    1.6217   -3.3584 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5996   -0.6119   -3.2268 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7142   -0.7134   -4.1059 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0769   -0.3190   -3.4521 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2843    0.0540   -1.6775 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7970   -1.6224   -1.1167 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5429   -2.2809   -0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387   -1.5122   -0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1854   -2.3546   -2.4602 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3207   -1.7067   -3.3884 N   0  0  1  0  0  0  0  0  0  0  0  0
    2.2428   -2.0766   -4.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7493   -3.1851   -4.3798 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5951   -2.2289   -2.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3849   -3.3221   -2.9950 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0989   -1.1208   -3.1967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6189   -1.9646   -1.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3025   -2.9564   -0.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2711   -4.3174   -1.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621   -4.7047   -2.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8847   -3.7305   -3.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9169   -2.3689   -2.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  2  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  5 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
M  END
$$$$
COVPDB910
  Mrv2015 05262115553D          

 40 43  0  0  0  0            999 V2000
    1.9833   -1.2167    3.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9915    0.3031    3.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5353    0.5461    1.8535 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4494    1.8458    1.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    2.7276    1.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5281    4.0080    1.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5786    4.8316    1.3041 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6953    6.0505    0.7299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7258    6.4978   -0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9102    7.6635   -0.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0798    8.6867   -1.2527 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6121    5.6648   -0.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7389    6.0797   -1.4743 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1648    5.2952   -2.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1236    5.6346   -2.8948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8610    4.7230   -3.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103    3.4719   -4.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1335    2.5162   -4.5551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1347    2.3950   -5.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0303    1.2670   -6.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1087    1.4048   -7.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9366    0.2984   -7.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6895   -0.9324   -6.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6015   -1.0351   -5.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8184    0.0516   -5.7436 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0364    3.1920   -3.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7786    1.7362   -4.1401 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7727    4.1138   -2.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663    4.4311    0.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3299    3.5867    0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3206    2.2922    0.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2764    1.4369    0.4984 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0643    1.6634    0.6243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7884    0.7457    0.1726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7129    2.7419    1.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2287    3.5143    2.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0159    4.5622    2.8498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2694    3.9489    3.4734 N   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0013    3.0825    4.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3437    4.9477    3.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  3  0  0  0  0
  9 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
 17 26  4  0  0  0  0
 26 27  1  0  0  0  0
 26 28  4  0  0  0  0
 14 28  4  0  0  0  0
 12 29  4  0  0  0  0
  6 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
  4 31  4  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
$$$$
COVPDB911
  Mrv2015 05262116123D          

 53 59  0  0  1  0            999 V2000
   -3.7408   -5.4853   -1.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8106   -6.8421   -0.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9057   -7.3643    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9255   -6.5313    0.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8633   -5.1679    0.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7513   -4.6531   -0.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9417   -4.1134    0.7111 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1139   -3.9825    2.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5220   -4.5025    0.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4594   -2.9583   -0.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4624   -3.3427   -0.9114 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1249   -2.5089   -1.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0353   -1.6689    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0643   -1.1253    0.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1627    0.2017    0.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1109    0.7352    1.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0678    1.5521    1.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1102    2.0368    1.9623 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3206    3.4836    2.1111 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5042    4.2092    0.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2091    4.1544    2.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0280    1.3196    2.5456 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.9510    2.1212    3.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5932    3.4451    2.8466 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1548    1.8130    3.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9943    2.9196    4.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6219    4.2902    3.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4015    4.5254    3.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1044   -0.1018    2.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6433   -0.6946    3.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4763   -2.2371    3.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9037   -2.8481    5.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7200   -4.3843    5.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1283   -4.9921    6.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7864   -4.9796    7.3539 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8989   -5.5770    6.2108 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2478   -6.2693    7.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2158   -6.2708    7.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9519   -6.8038    6.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2441   -6.5699    6.3317 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2982   -5.9367    7.4646 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1093   -5.7452    7.9453 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3922   -6.9282    5.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7584   -8.4444    5.6195 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9118   -8.9511    7.0843 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.7373   -8.1195    7.9221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2425   -9.4270    7.6350 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9850   -8.8156    4.7186 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8614  -10.1663    4.2676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3658   -8.6480    5.4178 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.6329   -7.2771    5.7093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4862   -9.4896    6.7186 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.7204  -10.8585    6.3921 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  4  0  0  0  0
 19 24  1  0  0  0  0
 23 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 24 28  4  0  0  0  0
 22 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 38 42  4  0  0  0  0
 40 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 46 47  1  0  0  0  0
 44 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
 47 52  1  0  0  0  0
 52 53  1  0  0  0  0
M  CHG  1  22   1
M  END
$$$$
COVPDB912
  Mrv2015 05262116123D          

 54 59  0  0  1  0            999 V2000
   13.6426    3.6988   -5.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7940    4.5239   -4.9791 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0435    4.4290   -5.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6102    3.3930   -6.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1056    2.1494   -6.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3968    1.4421   -7.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9039    0.1263   -7.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6069   -1.1019   -7.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0637   -2.3727   -8.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0270   -2.8940   -7.4691 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.2241   -2.3060   -6.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8355   -1.8367   -6.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9929   -1.0149   -5.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7735   -0.3191   -6.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8503    0.3203   -5.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746   -0.1096   -5.5771 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2699    1.3647   -4.8964 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4585    2.0265   -3.9232 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2160    3.1952   -3.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3880    3.8638   -2.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0937    5.1082   -1.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3051    5.7464   -0.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9788    7.0431    0.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2928    7.5936    1.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8844    8.9449    1.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2336    9.3568    3.2012 N   0  0  2  0  0  0  0  0  0  0  0  0
    9.8787   10.3744    4.0661 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7679    8.9068    4.5150 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1094    8.1605    4.7733 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8778    7.0943    5.6906 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1818    9.1225    5.3470 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.7045    9.7181    6.5565 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5294   10.2236    4.3109 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2720    9.6630    3.2275 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2818   11.0101    3.7872 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2791   12.3046    4.3891 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7912   -4.1307   -7.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8294   -5.0956   -7.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7977   -6.3531   -8.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7184   -6.6563   -9.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6787   -5.7040   -9.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7006   -4.4547   -8.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6159   -3.3315   -9.1220 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.4915   -2.7264  -10.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0856   -3.7546   -8.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8138    5.6720   -5.2531 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.0237    6.5071   -6.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1693    5.4197   -4.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8871    6.3774   -4.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0510    7.6138   -3.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0176    8.0872   -2.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8432    7.3267   -2.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6905    6.0958   -3.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7210    5.6333   -4.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 27 35  1  0  0  0  0
 35 36  1  0  0  0  0
 10 37  1  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 37 42  4  0  0  0  0
 42 43  1  0  0  0  0
  9 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
  3 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 46 49  1  0  0  0  0
 49 50  4  0  0  0  0
 50 51  4  0  0  0  0
 51 52  4  0  0  0  0
 52 53  4  0  0  0  0
 53 54  4  0  0  0  0
  2 54  1  0  0  0  0
 49 54  4  0  0  0  0
M  CHG  1  10   1
M  END
$$$$
COVPDB913
  Mrv2015 05262115543D          

  9  9  0  0  0  0            999 V2000
    5.0771    0.1370   -0.7247 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7706   -0.0065    0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4967   -0.3605   -0.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4146   -0.4799    0.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0609   -0.8408    0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6536    0.3444   -0.0426 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6301   -0.2429    2.0831 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8453    0.1006    2.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9499    0.2275    1.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  2  9  4  0  0  0  0
M  END
$$$$
COVPDB914
  Mrv2015 05262115513D          

 27 29  0  0  1  0            999 V2000
   -0.7423    0.3564    2.5575 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3303    1.0592    1.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2475    2.0701    1.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8872    2.8161    0.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7445    3.8314    1.2188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0983    3.3971    1.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5896    2.5520   -0.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6514    1.5571   -0.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0350    0.7749    0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3659    1.4498   -2.2976 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8550    0.2050   -3.0085 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4603    0.4347   -2.7472 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1294    0.1145   -4.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6082   -1.2204   -5.1424 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4673   -1.0252   -6.5506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197   -2.5445   -4.8731 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3455   -2.7895   -5.9349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2112   -2.6345   -3.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2658   -1.9545   -3.5649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9854   -3.4864   -2.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8368   -3.8299   -1.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4754   -3.3719   -2.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2045   -2.6101   -0.9912 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4540   -3.4804    0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5644   -1.4331   -0.6698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1302   -0.2853   -0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0573   -0.1735    0.3245 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  2  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  9 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
$$$$
COVPDB915
  Mrv2015 05262115433D          

 17 18  0  0  1  0            999 V2000
   -0.9633   -1.1489   -3.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4888   -0.0836   -2.7102 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9845    0.2106   -3.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8152    1.1360   -3.0511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1341   -0.3847   -1.1928 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2289   -0.5422   -0.0653 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9829   -1.0346   -0.2015 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8152   -2.8195    0.1986 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9569   -3.6010   -1.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9458   -3.2606    1.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3537   -2.9279    0.7701 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7153   -1.8473    0.0997 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7431   -1.7447   -0.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1438   -2.5394   -1.1796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1994   -2.8035    2.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7548   -3.8546    2.9710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4950   -1.7499    2.8522 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
$$$$
COVPDB916
  Mrv2015 05262115433D          

 13 12  0  0  1  0            999 V2000
    2.9287    2.9056    0.8196 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5583    2.9201    0.4164 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0488    1.4571    0.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3643    1.3927    0.2118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913   -0.0749    0.1195 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2181   -0.9338   -0.9658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8797   -0.7873    1.5289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4043    0.0246   -0.2628 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4209    3.5724   -0.9981 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0503    3.6164   -1.3929 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9850    5.0196   -1.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8616    5.6062   -2.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1714    6.6295   -2.6289 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
$$$$
COVPDB917
  Mrv2015 05262116123D          

 19 21  0  0  1  0            999 V2000
   -5.7471   -4.6942    6.2970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7326   -3.7589    5.9255 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1685   -2.9824    4.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1195   -2.1182    4.1587 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9003   -2.8177    3.8139 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3317   -3.5247    5.0739 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1458   -4.2365    4.7282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3837   -4.4908    5.6819 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8929   -5.0503    6.9008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8739   -1.9190    3.3412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435   -1.0620    2.2058 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4409   -1.8425    0.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4133   -0.9770   -0.3953 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0788    0.2868   -0.3360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6387    0.3296   -0.3919 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8715   -0.1828    2.0199 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5120    0.4499    3.2469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0321    0.8964    0.9163 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2410    1.4751    0.6322 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
$$$$
COVPDB918
  Mrv2015 05262115453D          

 34 36  0  0  1  0            999 V2000
   10.8958    1.9673    0.4288 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6989    0.9471    1.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2843    0.9966    2.4036 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7926   -0.1742    0.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4938   -1.5320    0.6550 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869   -2.6954    0.3725 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4185   -2.8942   -0.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1298   -4.1107   -0.1961 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4049   -1.8936   -0.5624 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9315   -2.4339   -0.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8814   -1.3020   -0.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4032   -1.7731   -0.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4478   -0.5540   -0.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0761   -0.9334   -0.8648 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0407   -0.0446   -0.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2734    1.1838   -0.7472 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2911   -0.4965   -1.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    0.3673   -0.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7050   -0.1438   -1.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8946   -1.5138   -1.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1760   -2.0689   -1.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3146   -3.4417   -1.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1788   -4.2697   -1.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8953   -3.7285   -1.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8063   -4.5334   -1.7993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7503   -2.3524   -1.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5186   -1.8127   -1.2725 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7900   -1.3472   -1.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7758   -0.0036   -2.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0986    0.2297   -3.6431 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3891   -0.9126   -4.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2351   -2.2816   -3.3106 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3450   -1.9563    1.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5921   -2.0174    1.6954 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  1  0  0  0  0
 24 26  4  0  0  0  0
 20 26  4  0  0  0  0
 26 27  4  0  0  0  0
 17 27  4  0  0  0  0
  9 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 28 32  4  0  0  0  0
  5 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
$$$$
COVPDB919
  Mrv2015 05262115513D          

 70 72  0  0  1  0            999 V2000
    4.7675   -0.6726   -6.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8165    0.3515   -5.7966 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2220   -0.0955   -4.4152 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2790   -1.3268   -4.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917    1.0925   -3.6843 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3508    2.2241   -3.4789 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1101    3.5606   -3.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0960    4.2698   -3.2968 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8755    4.2668   -4.0717 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6100    4.0283   -3.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4195    3.3622   -4.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1699    3.4743   -5.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5062    3.9726   -5.4282 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3360    4.2109   -6.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9451    3.9491   -7.9134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4839    4.6865   -6.3331 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8956    0.7027   -2.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6450    0.6074   -2.3703 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5773    0.4174   -1.1864 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0030    0.2945   -1.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3195    0.8317    0.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9718    0.8080    1.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9796    0.1503    0.1016 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5999    0.5879    0.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1322   -0.2265    1.0500 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2153    1.8757    0.2129 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9045    2.5776    0.7770 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2851    1.8437    0.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7436    1.4137   -0.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6305    0.0703   -0.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0545   -0.3062   -2.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6286    0.6434   -3.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7618    1.9767   -2.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3117    2.3593   -1.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    3.0783    2.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2479    4.3133    2.2231 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0776    2.2119    3.0944 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7433    2.5516    4.2238 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0105    3.5028    5.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0161    4.0467    6.3981 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2189    4.7851    7.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1171    4.9777    5.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2844    1.3135    4.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5220    1.1084    4.8109 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4509    0.4370    5.4831 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8545   -0.7452    6.2008 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2144   -1.0965    7.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3474   -0.0454    8.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2609   -0.5209    9.3952 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1534   -1.8965    5.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4669   -2.9824    5.8480 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1485   -1.7607    3.9489 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6484   -2.6511    2.9345 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6227   -3.8009    3.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4023   -4.4524    2.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5717   -5.2431    2.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6341   -4.6399    3.1667 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6120   -6.4834    2.4371 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5421   -3.0869    2.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7701   -3.1690    0.8191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042   -3.3481    2.5429 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8812   -3.5845    1.7526 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1395   -5.0991    1.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0385   -5.7990    0.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4155   -7.2491    0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3049   -7.9637   -0.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7343   -9.3022   -1.0253 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0232   -2.9431    2.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4513   -3.3617    3.6668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6299   -1.9745    1.9393 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  5 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
 27 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 38 43  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 46 50  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 56 58  2  0  0  0  0
 53 59  1  0  0  0  0
 59 60  2  0  0  0  0
 59 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 65  1  0  0  0  0
 65 66  1  0  0  0  0
 66 67  1  0  0  0  0
 62 68  1  0  0  0  0
 68 69  1  0  0  0  0
 68 70  2  0  0  0  0
M  END
$$$$
COVPDB91
  Mrv2015 05262115583D          

 21 24  0  0  0  0            999 V2000
    0.6441   -3.8851    5.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2105   -4.1658    6.9163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5084   -3.6272    6.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9699   -2.8075    5.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1082   -2.5323    4.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2076   -3.0704    4.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704   -2.2581    5.9043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7186   -1.4555    4.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8756   -1.1839    3.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5608   -1.7263    3.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7099   -1.4724    2.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6074   -1.9979    2.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590   -2.7840    3.6854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1959   -0.7001    1.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4951   -0.1459    1.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3241   -0.3811    2.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4203   -0.5716    0.3758 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3215    0.4647   -0.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9311    1.5488   -0.3480 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5708    0.3232   -1.6607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2003    1.6701   -1.4937 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  4  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  6 13  4  0  0  0  0
 11 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
  9 16  4  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$
COVPDB920
  Mrv2015 05262115483D          

  8  8  0  0  0  0            999 V2000
    1.3483   -0.5744    0.0782 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4301   -0.2298    1.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9290   -0.5855    0.8715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4723   -1.4691   -0.5232 S   0  5  0  0  0  0  0  0  0  0  0  0
   -1.8573   -0.2287    1.8733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4329    0.4829    3.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792    0.8406    3.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8499    0.4855    2.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
M  CHG  1   4  -1
M  END
$$$$
COVPDB921
  Mrv2015 05262116093D          

 14 14  0  0  0  0            999 V2000
    1.4459    4.5000    2.6427 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0265    5.0560    1.9734 S   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9866    5.4441    3.1555 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3887    6.3974    1.1704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7153    3.8503    0.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3343    4.3438   -0.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9296    3.4743   -1.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9117    2.0917   -0.9724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3167    1.5860    0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7281    2.4487    1.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0378    1.6808    2.5959 S   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2993    2.5907    3.9653 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7060    0.2459    2.8600 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414    1.4657    2.4104 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
M  END
$$$$
COVPDB922
  Mrv2015 05262116123D          

 23 25  0  0  0  0            999 V2000
   -3.0382    7.8097   -0.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9216    7.3956    0.1650 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0570    8.5775    0.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4232    6.5037    1.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2360    6.7388    2.1510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8351    5.3482    0.8787 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9527    5.9661   -0.4368 S   0  0  2  0  0  0  0  0  0  0  0  0
    0.6137    5.9880   -0.1132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621    5.3149   -1.8065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0620    4.0354    1.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2073    2.9556    0.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5406    1.9788    1.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0503    1.1770    0.6895 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2198    1.6322   -0.4970 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9743    2.6834   -0.4270 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8420    0.0104    0.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1907   -1.2028    0.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370   -1.6884   -0.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0965   -2.8252   -1.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0918   -3.4934   -0.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8713   -4.8474   -1.3624 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4395   -3.0279    0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8077   -1.8881    1.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 20 22  4  0  0  0  0
 22 23  4  0  0  0  0
 17 23  4  0  0  0  0
M  END
$$$$
COVPDB923
  Mrv2015 05262115593D          

 29 29  0  0  1  0            999 V2000
    0.9332   -6.1300    0.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4231   -5.4536    0.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4097   -3.9311    0.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7420   -3.2301    0.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6253   -1.8336    0.6677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6515   -0.9799    0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2691    0.5314    0.2341 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1227    0.9198   -0.5737 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1533    0.3291   -0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2946    0.9394   -1.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6424    0.1941   -0.8741 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7411    0.6867   -1.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4723    1.3860   -0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3354    2.7914    0.0480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6460    3.6977   -0.2109 P   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2842    5.1044    0.0181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2103    3.4832   -1.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4628    4.3103   -2.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8785    4.0309   -3.6858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7928    3.2507    0.8217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4633    3.4601    2.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8567    2.4429    2.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5058    2.6678    4.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7625    3.9112    4.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3943    4.1339    6.1577 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.6311    5.2293    6.7580 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.8201    3.3437    6.8011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4208    4.9079    4.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7718    4.6838    2.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 24 28  4  0  0  0  0
 28 29  4  0  0  0  0
 21 29  4  0  0  0  0
M  CHG  2  25   1  26  -1
M  END
$$$$
COVPDB924
  Mrv2015 05262115513D          

 16 16  0  0  0  0            999 V2000
   -3.9366   -1.4647   -4.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3038   -1.7084   -4.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1856   -1.8224   -3.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7046   -1.6825   -2.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3370   -1.4388   -2.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4335   -1.3400   -3.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862   -1.0936   -3.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1553   -2.3911   -2.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5942   -1.9641   -2.6995 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4558   -3.5661   -2.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9184   -3.4456   -2.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4508   -2.3115   -2.2195 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7801   -4.6456   -2.1394 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3739   -5.4037   -1.0678 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0971   -4.3106   -1.9235 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7409   -5.4274   -3.2688 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
$$$$
COVPDB925
  Mrv2015 05262116093D          

 37 40  0  0  1  0            999 V2000
    4.6275   -2.5761    6.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1489   -2.2226    6.2187 N   0  0  1  0  0  0  0  0  0  0  0  0
    2.3419   -3.4618    5.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5367   -1.1070    7.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2244   -0.6679    6.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1811    0.3827    5.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0959    0.7183    4.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1016    1.8470    4.3462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9049   -0.1848    4.6416 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8590   -0.1759    3.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0613   -0.8757    3.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0243   -1.0279    2.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7816   -0.5007    1.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5948    0.2157    1.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6562    0.3921    2.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3739    0.7410   -0.0479 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0164    1.1624   -0.3272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0599    0.1079   -0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3664    0.7029   -0.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4464   -0.2668   -0.3218 N   0  0  2  0  0  0  0  0  0  0  0  0
    3.7488    0.4011   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7788   -0.6082    0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9879   -1.7885   -0.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347   -2.4568   -0.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5989   -1.4209   -1.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2591    1.9083   -0.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5303    1.9391   -0.8346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1684    3.1935   -0.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4068    3.4453   -1.3094 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9610    4.6852   -1.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2536    5.7567   -0.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9545    5.5545   -0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2302    6.6268    0.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7508    7.8737    0.5554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0742    6.4898    0.9194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4392    4.2384   -0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9194    3.5392    0.3162 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 32 36  4  0  0  0  0
 28 36  4  0  0  0  0
 36 37  4  0  0  0  0
 26 37  4  0  0  0  0
M  END
$$$$
COVPDB926
  Mrv2015 05262116093D          

 37 40  0  0  1  0            999 V2000
   -4.4902    2.1656   -9.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8455    1.1979   -8.1785 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9177    0.3032   -7.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3917    0.6639   -8.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9129   -0.0087   -7.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3457    0.7246   -6.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1214    0.2823   -4.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2070    0.8325   -4.2261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9476   -0.6583   -4.3292 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1560   -0.9536   -3.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7074   -2.2128   -2.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0507   -2.5386   -1.3688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8795   -1.5908   -0.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3381   -0.3158   -0.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9628   -0.0275   -1.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1640    0.7171    0.4436 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8165    1.2362    0.4601 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2329    0.3528    0.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5507    0.7886    0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6319   -0.2513    0.3003 N   0  0  2  0  0  0  0  0  0  0  0  0
    4.0058    0.3462    0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0982   -0.7322    0.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0108   -1.8222   -0.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5836   -2.4201   -0.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5216   -1.3070   -0.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0890    1.8528    0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4038    1.9969    0.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0687    3.1645    0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3431    3.4945    0.5855 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9281    4.6299    0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2150    5.5064   -0.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8774    5.2173   -1.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1516    6.0850   -1.9606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6841    7.2308   -2.4456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9802    5.8428   -2.3292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3294    4.0210   -0.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541    3.2752   -0.7705 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 32 36  4  0  0  0  0
 28 36  4  0  0  0  0
 36 37  4  0  0  0  0
 26 37  4  0  0  0  0
M  END
$$$$
COVPDB927
  Mrv2015 05262115533D          

 40 42  0  0  1  0            999 V2000
    2.1742   -2.9038  -11.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724   -3.8046  -10.4487 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4690   -3.9225  -11.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7889   -3.1574   -9.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8099   -5.1748  -10.2547 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7613   -5.3965   -9.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016   -5.6246   -8.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9302   -5.8074   -7.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4063   -5.7823   -7.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6393   -5.6385   -8.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4357   -5.4431   -9.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5316   -5.8178   -6.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7265   -4.4012   -5.9673 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2989   -3.4538   -6.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5444   -2.5727   -7.4503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6111   -3.5514   -7.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0399   -2.9056   -8.3473 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.4468   -2.2982   -9.2491 N   0  5  0  0  0  0  0  0  0  0  0  0
   -2.5056   -4.3163   -4.7643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2370   -4.9265   -3.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3747   -5.8341   -3.4923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8376   -4.4234   -2.3142 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3398   -4.0049   -2.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8063   -3.4304   -1.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9786   -4.2653    0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2728   -3.7165    1.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4133   -2.3257    1.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3100   -1.4885    0.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0169   -2.0385   -0.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0407   -3.2897   -1.9492 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3769   -3.1185   -0.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222   -3.9498    0.1554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6734   -1.9653   -0.6735 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1070   -1.5397    0.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5558   -0.1573    0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9285    0.1607    0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    1.4733   -0.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3790    2.4833   -0.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0102    2.1824   -0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3988    0.8708   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  2  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 24 29  4  0  0  0  0
 22 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 35 40  4  0  0  0  0
M  CHG  2  17   1  18  -1
M  END
$$$$
COVPDB928
  Mrv2015 05262115533D          

 39 41  0  0  1  0            999 V2000
    2.1870   -2.8916  -11.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745   -3.8036  -10.4952 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4628   -3.9664  -11.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8130   -3.1449   -9.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7972   -5.1671  -10.2977 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7616   -5.3734   -9.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0293   -5.6129   -8.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9741   -5.7679   -7.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3728   -5.7062   -7.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6351   -5.5399   -8.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4236   -5.3802   -9.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4749   -5.7500   -6.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7307   -2.4954   -7.4016 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0213   -2.0092   -0.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3413   -3.2013   -0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3560   -4.0321    0.2160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6607   -2.0326   -0.6308 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1312   -1.5639    0.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5712   -0.1891    0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416    0.1460    0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    1.4609   -0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3633    2.4525   -0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0031    2.1283   -0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962    0.8168   -0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 23 28  4  0  0  0  0
 21 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 34 39  4  0  0  0  0
M  END
$$$$
COVPDB929
  Mrv2015 05262115403D          

 34 36  0  0  1  0            999 V2000
   11.9667   -5.2627    6.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6294   -6.4786    6.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6252   -7.0314    7.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9396   -6.3755    8.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2791   -5.1548    8.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2907   -4.5715    7.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6758   -3.3105    6.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3141   -3.0458    7.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6995   -1.8083    6.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5202   -0.8078    6.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8725   -1.0415    6.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4393   -2.2891    6.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2294   -1.5031    7.0348 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5650   -1.5669    5.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0433   -1.2166    5.4976 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5248   -1.5080    4.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7256    0.2470    5.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4762   -2.3177    8.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2369   -3.5263    7.7908 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9951   -1.7244    9.1634 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1031   -2.3708   10.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8627   -1.4943   11.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8985   -0.6924   11.2255 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -1.5231   12.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6139   -2.8237   13.1295 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6083   -2.9267   14.5848 S   0  0  2  0  0  0  0  0  0  0  0  0
    6.5452   -4.4436   15.1007 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9671   -1.9702   15.7016 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2788   -2.4672   14.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7703   -1.1758   14.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1011   -0.8641   14.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9222   -1.8371   13.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3928   -3.1176   13.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1017   -3.3849   13.6609 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 29 34  4  0  0  0  0
M  END
$$$$
COVPDB92
  Mrv2015 05262116043D          

 62 65  0  0  1  0            999 V2000
    7.1916    1.4220    0.7232 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8225    1.1618    1.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3243   -0.0652    2.3204 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6398    0.4103    2.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5448    1.4821    1.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7104    1.8444    0.8170 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3298    2.1312    1.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9566    2.2746   -0.0171 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6085    2.5381    2.2402 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2149    2.8571    2.3807 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7604    2.5893    1.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9242    3.6906    0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9136    3.7614   -2.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7557    3.2713   -3.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5439    2.1755   -2.9367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4116    1.5049   -3.8528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1585    1.9732    3.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0340    0.6255    3.3429 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2817   -0.4127    4.2845 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7781   -0.7984    4.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6693   -1.5246    3.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5206   -1.7713    4.8723 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8432   -2.3207    2.8805 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1174   -2.5426    1.6539 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1261   -3.4956    1.8205 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -1.6198   -4.0697    0.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2075   -0.6836    1.1018 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5547   -0.8010   -0.2052 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6145   -1.4021   -0.9639 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9581   -2.3866   -1.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8593   -2.9908   -3.1140 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9829   -3.7420   -4.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9606   -3.9275   -2.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5147   -0.3754   -1.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1771    0.5807   -2.5522 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1981    1.3506   -3.3046 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3384    1.9335   -4.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9556    2.1166   -3.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8410    0.8656   -2.9931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0916    2.3991   -2.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2574    2.0434   -2.2172 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6165    3.6638   -2.2035 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3707    4.7146   -1.5663 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9169    4.8769   -0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7182    5.1258    0.0987 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7824    4.8045    0.8628 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1948    6.0722   -2.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8700    6.1544   -3.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2411    6.2704   -4.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1692    6.3920   -5.8326 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3857    6.3487   -5.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2400    6.2019   -3.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6527    6.4411   -5.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7919    6.3894   -5.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6530    6.2489   -3.6388 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3728    6.1541   -3.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 22 24  1  0  0  0  0
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 28 29  1  0  0  0  0
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 27 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 34 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 41 45  1  0  0  0  0
 42 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
 49 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  4  0  0  0  0
 55 56  4  0  0  0  0
 56 57  4  0  0  0  0
 57 58  4  0  0  0  0
 54 58  4  0  0  0  0
 57 59  4  0  0  0  0
 59 60  4  0  0  0  0
 60 61  4  0  0  0  0
 61 62  4  0  0  0  0
 58 62  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  56
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB930
  Mrv2015 05262115463D          

 44 45  0  0  1  0            999 V2000
   -3.6452    4.2827   -4.7602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8307    5.1416   -4.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4829    6.1961   -5.0936 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5562    7.0427   -4.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0580    6.1606   -3.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1952    5.1114   -3.0271 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2450    5.4294   -1.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8351    5.2308   -0.4086 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1050    3.9801   -0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7096    2.7986    0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0443    1.5961    0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7171    0.5754    0.4837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6864    1.5016    0.0568 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0969    0.3063    0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5856    0.6429   -0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1178    6.3316    0.1852 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6486    7.5593    0.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8236    7.8377    0.1513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9036    8.5654    1.3010 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4620    8.8382    0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3120   10.0105    1.4687 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8396    9.9139    1.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   11.4133    1.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8845    8.0493    2.6366 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1062    8.7287    3.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3038    9.9679    3.7757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1639    8.0229    5.1057 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1265    6.8629    5.3444 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3388    7.3186    5.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4374    5.5156    4.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5385    7.6537    5.2825 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1345    7.2057    6.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4635    6.9342    7.4475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6121    7.1456    6.5096 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2797    6.3851    5.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0103    8.5201    6.5444 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7093    9.1373    7.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2771    8.4807    8.4394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7483   10.5426    7.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4900   11.3360    8.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1612   12.6468    8.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2639   12.6161    7.1144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0271   11.3713    6.7890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6881   13.8493    8.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 39 43  4  0  0  0  0
 41 44  1  0  0  0  0
M  END
$$$$
COVPDB931
  Mrv2015 05262115543D          

 10 10  0  0  0  0            999 V2000
   -0.1750    0.0093   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1663   -0.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9748   -1.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3869   -2.2671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4190   -1.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1440   -2.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5510   -2.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2815   -1.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6007    0.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1947    0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
M  END
$$$$
COVPDB932
  Mrv2015 05262115583D          

 43 46  0  0  1  0            999 V2000
    2.8582   -0.2123   -6.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3565    0.0306   -5.7139 S   0  0  2  0  0  0  0  0  0  0  0  0
    0.4497    1.1722   -6.3849 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.5184   -4.2497 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4794   -1.5056   -5.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -1.7156   -6.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4101   -2.9325   -6.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9353   -3.9467   -5.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2979   -3.7592   -4.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9925   -2.5414   -4.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6269   -5.1177   -5.1622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9075   -5.0251   -4.1965 P   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8167   -3.9507   -4.6186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6852   -6.4286   -4.2924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583   -6.7987   -5.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3146   -6.4212   -6.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7102   -6.8433   -7.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8561   -7.6544   -8.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6133   -8.0574   -7.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2185   -7.6339   -6.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3514   -8.1957   -9.7443 S   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3268   -7.1201  -10.4284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0687   -8.3947  -10.6890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2355   -9.7935   -9.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4585   -4.8321   -2.5431 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5495   -6.0025   -2.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0273   -5.7882   -0.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2905   -5.3121   -0.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7608   -5.0236    0.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0771   -5.2207    1.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3804   -5.7160    1.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8523   -6.0008    0.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8643   -3.5389   -2.3095 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0674   -2.7627   -1.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8707   -3.1013   -0.3049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3439   -1.6093   -1.0781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3792   -0.7158    0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3964    0.3841   -0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9800    0.0808   -0.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9317    1.1036   -0.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5183    2.4471   -0.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1557    2.7677   -0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7953    1.7422   -0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 15 20  4  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 12 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
 25 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 38 43  4  0  0  0  0
M  END
$$$$
COVPDB933
  Mrv2015 05262115543D          

 18 17  0  0  1  0            999 V2000
    5.5928   -2.0055   -5.1051 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9442   -0.8812   -5.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7242    0.3802   -5.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7290    1.0068   -4.7471 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3775    0.9677   -4.9267 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8055    1.1702   -6.2203 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4147    0.1375   -4.0180 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1583    0.8182   -4.0108 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8651   -0.0336   -2.5267 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2227   -0.4656   -2.4320 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0278   -1.0482   -1.6777 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1475   -2.3630   -2.2194 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5254   -0.7091   -1.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9341   -1.5899   -0.5105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6016   -1.2894   -0.1834 P   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7205    0.1300    0.5092 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1074   -2.3737    0.8541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292   -1.3416   -1.3923 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
$$$$
COVPDB934
  Mrv2015 05262115543D          

 12 12  0  0  0  0            999 V2000
    8.2529   -1.1939    1.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7483   -1.2134    0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2590   -1.1945   -0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5564    0.0289   -0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1512    0.0523   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3801   -1.1409   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1049   -2.3650   -0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5124   -2.3925   -0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9365   -1.1451   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3502   -2.2569    0.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1243   -0.0026   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2173    0.0006    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  3  8  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
$$$$
COVPDB935
  Mrv2015 05262115543D          

 23 24  0  0  1  0            999 V2000
    0.4194    2.9085    2.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8613    4.2447    2.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9652    4.9726    1.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6280    4.3632   -0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925    3.0264   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0900    2.2721    1.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3328    0.8380    1.1217 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1705    0.1753   -0.0612 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5764   -0.1327   -0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0487    0.6918    1.1578 P   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6661    1.3973    0.0244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6203    1.3738    2.4974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3960    0.6580    3.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5373   -0.8426    1.1692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1926   -1.5741    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9323   -1.4875   -1.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4935   -2.1588   -2.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3102   -2.9416   -2.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8211   -3.4695   -3.4234 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4303   -3.3895   -4.5362 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2177   -4.0021   -3.4788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6518   -3.1170   -1.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0893   -2.4490    0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 18 22  4  0  0  0  0
 22 23  4  0  0  0  0
 15 23  4  0  0  0  0
M  CHG  2  19   1  20  -1
M  END
$$$$
COVPDB936
  Mrv2015 05262115453D          

 14 14  0  0  0  0            999 V2000
   -5.0188    1.6899    2.6524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7852    0.1775    2.6429 B   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9727   -0.7866    2.7014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3189   -0.3971    2.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8049   -1.0896    3.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5147   -1.6434    3.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7302   -1.5019    2.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2161   -0.7809    1.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5245   -0.2379    1.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3945   -0.6789    0.2909 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2895    0.3655   -0.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9193    1.4380   -0.4237 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6357    0.2724   -1.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2809    1.5739   -1.3991 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
$$$$
COVPDB937
  Mrv2015 05262115543D          

 32 35  0  0  0  0            999 V2000
   -9.6168    1.9316   -7.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7343    0.7452   -8.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2607   -0.4208   -8.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4418   -1.5311   -8.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0837   -1.4944   -8.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5529   -0.3563   -7.9541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3695    0.7618   -7.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9186    1.8699   -6.9739 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8831    2.0068   -6.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9617    1.0418   -5.8422 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7237    3.2067   -5.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4761    4.3764   -5.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9180    5.2305   -4.5069 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8450    4.6099   -3.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7078    3.3712   -4.5021 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7667    2.4028   -4.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9154    1.1842   -4.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6664    2.5456   -3.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7070    1.5139   -3.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8663    0.3230   -4.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9816   -0.6355   -3.9540 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9797    0.1459   -4.8517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6156    1.6783   -2.4436 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6315    2.0064   -3.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7181    1.5920   -1.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2932    1.7150   -0.3287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9015    1.4473   -0.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5349    0.2926   -0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1160   -1.0381   -0.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7086   -1.3702   -0.1026 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5141   -1.6047    1.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1032   -2.4503   -0.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 11 15  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 10 17  4  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 20 22  4  0  0  0  0
 17 22  4  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
$$$$
COVPDB938
  Mrv2015 05262115593D          

  9  8  0  0  1  0            999 V2000
    0.7659    1.2394    1.1106 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2682    1.5183    0.1018 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3769    0.3528   -0.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8567    0.1532   -1.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2056    1.0049   -2.6913 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5972   -0.8313   -1.4898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5443    1.7457    0.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1895    2.9313    0.7200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0551    0.8520    1.5285 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
$$$$
COVPDB939
  Mrv2015 05262116153D          

 17 18  0  0  0  0            999 V2000
   -5.0341    0.1629    0.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3028   -0.4156    0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4460   -1.6085    1.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6616   -2.1804    1.7472 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3139   -2.2086    2.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0271   -1.6434    2.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8701   -0.4443    1.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8752   -2.2457    2.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9213   -3.2809    3.2789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6493   -1.7100    2.3244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4574   -0.5910    1.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5722    0.0944    1.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2917    1.5250    0.1688 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1719   -0.1736    1.3649 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4055   -0.7459    0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8140   -0.1638   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7315    1.7525   -0.2609 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  1  7  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  2  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
$$$$
COVPDB93
  Mrv2015 05262116043D          

 75 79  0  0  1  0            999 V2000
    1.5108    1.5685   -0.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4549    0.5280    0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759   -0.5580    0.0736 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6050   -1.7343    0.7383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1543   -1.9516    1.8441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2066   -2.7060    0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7577   -4.2090    0.8616 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6716   -4.7194   -0.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4879   -3.7206   -1.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7112   -2.6698   -1.1167 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0360   -3.8046   -2.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9090   -4.6736   -3.0525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5769   -2.9994   -3.8229 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8912   -3.1364   -5.2275 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2163   -2.0060   -6.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7789   -0.6010   -5.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2241    0.4572   -6.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9547    1.1524   -7.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4575    2.1739   -8.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2391    2.7456   -9.0051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1446    2.5615   -8.1319 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5371    3.5626   -8.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4791   -4.4962   -5.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3437   -5.2635   -6.1623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2203   -4.9378   -5.3799 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1378   -6.3137   -5.2038 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3683   -7.0676   -6.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7534   -8.5812   -6.4202 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9246   -9.2022   -7.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2527   -9.4184   -5.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2923   -6.3744   -4.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0865   -6.8466   -3.1270 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5397   -5.9299   -4.6313 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7249   -5.9953   -3.8152 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9387   -6.7406   -4.4998 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1034   -6.5633   -6.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3104   -6.5502   -3.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3661   -7.0691   -2.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9076   -4.6681   -3.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204   -4.6010   -1.9256 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2851   -3.4507   -3.6227 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7613   -3.0300   -4.9029 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9554   -1.7937   -5.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4186   -1.1723   -6.7793 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6174    0.1230   -7.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239   -2.1670   -7.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2467   -2.8166   -4.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9041   -3.4715   -5.6523 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9335   -2.0002   -3.9074 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3684   -1.9577   -3.6657 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4039   -1.8452   -2.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2024   -0.9563   -1.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3106   -1.0400   -3.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3084   -2.9780   -4.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5251   -2.9629   -5.4589 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0075   -3.8317   -3.4167 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0610   -4.7326   -3.7974 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6946   -6.1087   -3.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4420   -6.2274   -2.1171 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6264   -7.2419   -4.1434 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9056   -7.3101   -5.5577 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7357   -6.7684   -6.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1533   -8.8198   -5.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2004   -9.4832   -4.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2983   -8.5328   -3.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4067   -4.2624   -3.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8023   -2.8972   -3.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2928   -2.5419   -4.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5256   -1.2183   -4.8930 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2007   -0.6866   -3.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7541   -1.7059   -2.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2534    0.6509   -3.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8403    0.9509   -1.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3958   -0.0776   -1.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3499   -1.4178   -1.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  6 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 34 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 42 47  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 49 53  1  0  0  0  0
 50 54  1  0  0  0  0
 54 55  2  0  0  0  0
 54 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  2  0  0  0  0
 58 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 61 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 65  1  0  0  0  0
 60 65  1  0  0  0  0
 57 66  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  4  0  0  0  0
 68 69  4  0  0  0  0
 69 70  4  0  0  0  0
 70 71  4  0  0  0  0
 67 71  4  0  0  0  0
 70 72  4  0  0  0  0
 72 73  4  0  0  0  0
 73 74  4  0  0  0  0
 74 75  4  0  0  0  0
 71 75  4  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  69
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB940
  Mrv2015 05262115433D          

 24 25  0  0  1  0            999 V2000
    3.8811   -1.2381   -4.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0551   -2.2318   -3.3741 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9729   -3.3440   -2.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9334   -2.8665   -4.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3578   -1.6050   -2.2727 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7646   -0.6682   -1.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8706   -0.0904   -1.4529 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9830   -0.3079   -0.3089 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7432   -0.9209    0.0883 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9375   -1.6869    1.4458 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3825   -2.3038    2.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0175   -2.8066    1.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2964    0.1389    0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0011    1.4063    0.5564 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9228    2.4125    0.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5007    3.5279    0.9534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5715   -0.1239   -0.2352 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5423    0.8246   -0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2603    2.1639    0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8425    0.4543   -0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8758    1.4038   -0.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6121    2.7327   -0.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    3.1250    0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1171    4.7661    0.5327 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  2  0  0  0  0
 13 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 15 19  4  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 19 23  4  0  0  0  0
 23 24  1  0  0  0  0
M  END
$$$$
COVPDB941
  Mrv2015 05262115433D          

 16 17  0  0  0  0            999 V2000
    1.5035   -0.9309   -1.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1164   -0.1561    0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6766    1.1733    0.0927 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3139    1.9465    1.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1087    1.9187    2.2706 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8352    2.6150    3.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6511    2.5146    4.3528 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1643    2.7641    1.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7582    2.8245   -0.2762 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1761    3.4845    2.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6633    3.4002    3.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    4.2828    2.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7018    4.9341    3.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8817    4.8296    4.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3050    4.0780    4.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2397    5.4408    5.8848 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  2  0  0  0  0
  4  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
 14 16  1  0  0  0  0
M  END
$$$$
COVPDB942
  Mrv2015 05262116133D          

 20 21  0  0  1  0            999 V2000
    6.6146    3.7969    7.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1936    3.2027    6.3538 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2552    2.3768    5.8776 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9024    2.3422    6.4408 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3027    1.8723    5.0663 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6294    0.5124    4.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2196    0.8547    4.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0770   -0.3088    4.0566 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7726    0.1045    2.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2873   -0.8493    1.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5754   -0.5148    0.3468 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2832   -1.2563   -0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6857   -2.4451   -0.2555 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9653    2.0965    5.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.5016    5.5121 N   0  0  1  0  0  0  0  0  0  0  0  0
    3.6285    3.0567    6.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1319    3.7053    7.5651 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7713    2.7918    5.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4129    2.2404    4.8235 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7482    3.9691    5.5993 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  7 14  2  0  0  0  0
 14 15  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  2  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
$$$$
COVPDB943
  Mrv2015 05262115423D          

  9  9  0  0  0  0            999 V2000
    0.2287    3.0190   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7335    1.2042   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1383    1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7605   -0.0727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0486   -1.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6424   -2.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6913   -1.1898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0202   -0.0092   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2304   -0.0204   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  2  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  2  0  0  0  0
M  STY  2   1 DAT   2 DAT
M  SAL   1  1   4
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  SAL   2  1   7
M  SDT   2 MRV_IMPLICIT_H                                        
M  SDD   2     0.0000    0.0000    DR    ALL  0       0  
M  SED   2 IMPL_H1
M  END
$$$$
COVPDB944
  Mrv2015 05262116023D          

 24 25  0  0  1  0            999 V2000
  -10.8255   -4.5468    5.9366 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5756   -3.1507    5.7617 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.9746   -2.8336    4.2870 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.2011   -1.9624    3.9882 C   0  0  1  0  0  0  0  0  0  0  0  0
  -13.0700   -1.4365    5.1821 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.8210   -2.1408    6.5606 C   0  0  1  0  0  0  0  0  0  0  0  0
  -13.4998   -3.4008    6.5987 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3306   -2.4038    6.8999 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.6682   -1.2121    7.3072 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1452    0.0441    5.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6112    0.6938    4.1034 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7940    0.7341    6.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8218   -1.5308    3.5931 N   0  0  1  0  0  0  0  0  0  0  0  0
  -10.1696   -0.3486    4.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6217   -0.4222    4.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8818   -0.4024    2.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3373   -0.4401    3.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5190   -0.2902    1.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9880   -0.2991    2.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1376   -0.1191    0.7928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6145   -0.1367    1.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8977    0.0200   -0.1001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2664    0.0246   -0.1425 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4273    0.0281   -0.1839 N   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  4 13  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  2  0  0  0  0
M  CHG  2  23   1  24  -1
M  END
$$$$
COVPDB945
  Mrv2015 05262115453D          

 27 30  0  0  0  0            999 V2000
   -4.8960    2.2122   -1.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7617    1.3202   -0.8461 N   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7067    2.0030   -0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4814    1.0732    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8446   -0.2776    0.6752 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6605   -1.1937    0.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2028   -0.8645    2.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3658   -1.6930    2.1705 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.5624    3.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8694   -3.1132    3.0096 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3638   -2.5775    1.8854 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6128   -2.7205    1.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5569   -3.5074    1.8277 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9150   -3.1061    2.0461 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7585   -4.3532    2.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1954   -3.9839    2.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1806   -2.9229    4.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970   -1.6572    3.6034 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9547   -2.0192    3.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8338   -2.0084    0.1183 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8860   -1.1865   -0.4192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6842   -1.0247    0.2002 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4272   -1.7056    1.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1290   -0.5587   -1.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3434   -0.0048   -2.5050 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9797   -0.9130   -0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1918    0.0388   -0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 12 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
  8 23  4  0  0  0  0
 11 23  4  0  0  0  0
 21 24  1  0  0  0  0
 24 25  3  0  0  0  0
  5 26  1  0  0  0  0
 26 27  1  0  0  0  0
  2 27  1  0  0  0  0
M  END
$$$$
COVPDB946
  Mrv2015 05262115453D          

 32 36  0  0  0  0            999 V2000
   -7.3769    7.6813    5.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5626    7.4491    5.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2925    7.3599    3.9435 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9635    7.5277    3.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3894    7.7251    5.0249 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9972    7.9457    5.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2163    6.6151    5.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7192    6.8842    5.7537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655    5.6568    5.9013 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6784    5.9004    6.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    6.1195    7.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966    6.4786    8.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8631    6.6323    7.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736    6.3688    5.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4154    5.9413    5.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1734    5.5403    4.1251 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    5.0827    3.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004    5.2262    3.2130 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2406    4.6915    2.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7334    3.9604    1.2547 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5200    4.8683    2.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6544    5.0250    2.4719 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5234    4.3481    2.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3912    3.7886    1.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310    4.0158    1.7459 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6253    3.2593    0.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6664    3.0957    0.2608 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    2.3025   -0.8100 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3933    2.1061   -2.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0994    0.9270   -2.8012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6557    0.0391   -1.6661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5283    0.8568   -0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  1  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 19 21  1  0  0  0  0
 21 22  3  0  0  0  0
 17 23  4  0  0  0  0
 23 24  4  0  0  0  0
 20 24  4  0  0  0  0
 23 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 24 27  4  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 28 32  1  0  0  0  0
M  END
$$$$
COVPDB947
  Mrv2015 05262115453D          

 34 38  0  0  0  0            999 V2000
  -10.7761    8.2449    5.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2875    8.2655    5.7210 N   0  0  1  0  0  0  0  0  0  0  0  0
   -8.7004    6.9251    6.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1836    7.0505    6.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4609    7.7417    5.1783 N   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9811    7.9002    5.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1639    6.5802    5.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    6.8495    5.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9181    5.6163    5.9356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6215    5.8673    6.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3678    6.0498    7.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9114    6.4175    8.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9363    6.6309    7.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6977    6.4166    5.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    5.9584    5.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1720    5.5757    4.0860 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0355    5.0920    3.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3958    5.2253    3.1881 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    4.6889    2.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7317    3.9605    1.2335 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3919    3.7892    1.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6775    3.0869    0.2450 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6163    3.2485    0.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7324    4.0174    1.7126 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5184    4.3541    2.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552    2.2899   -0.8082 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4380    2.0960   -2.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1622    0.9222   -2.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6963    0.0209   -1.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5570    0.8451   -0.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5169    4.8531    2.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6551    4.9916    2.3973 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0966    9.0572    4.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6151    8.9112    4.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 17 25  4  0  0  0  0
 21 25  4  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 30  1  0  0  0  0
 19 31  1  0  0  0  0
 31 32  3  0  0  0  0
  5 33  1  0  0  0  0
 33 34  1  0  0  0  0
  2 34  1  0  0  0  0
M  END
$$$$
COVPDB948
  Mrv2015 05262116003D          

 23 25  0  0  1  0            999 V2000
    3.9890    2.9105   -0.3247 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1048    2.9910    0.7940 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6176    2.8979    0.3871 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0850    1.4428    0.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3095    1.4399   -0.0090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0215    0.0073    0.0067 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2902   -0.9773   -0.9974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9417   -0.6118    1.4638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4279    0.1556   -0.3858 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8700    3.6901    1.3203 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7561    4.5411    2.0690 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1901    4.3374    1.5230 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5577    5.3893    0.6302 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    4.2558    3.4754 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2722    3.0896    4.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2643    3.1716    5.3948 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6457    4.4241    5.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8904    5.1064    4.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2840    6.4058    4.4988 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4385    7.0515    5.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2072    6.3986    6.8657 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8124    5.0952    6.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5997    4.5209    7.9852 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 14 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 17 22  4  0  0  0  0
 22 23  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  21
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB949
  Mrv2015 05262115593D          

 28 30  0  0  1  0            999 V2000
    0.4272    5.5342    4.3619 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2611    6.5444    5.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1209    7.8915    4.6916 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3619    7.6814    3.9889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8352    8.7848    3.1909 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1294    9.9772    4.1527 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5312   11.1337    3.4179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8697   10.3153    5.0051 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1936   11.3135    5.9731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3032    9.0528    5.7133 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9393    9.3835    6.3356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0836    8.3118    2.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9145    7.1013    1.3783 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5285    5.7261    2.0412 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5766    5.1898    3.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1282    3.9606    3.6095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3546    4.6916    1.0482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2960    4.9459    0.0998 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7094    6.1800   -0.7437 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6923    6.4682   -1.7021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9521    7.4147    0.1817 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4690    8.4776   -0.6235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0891    3.7618   -0.7096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5456    2.6366    0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3463    1.4013   -0.8824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1072    0.1687   -0.0608 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9089   -0.9271   -0.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5230    0.0369    0.1438 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
$$$$
COVPDB94
  Mrv2015 05262115583D          

 74 77  0  0  1  0            999 V2000
    4.7700   10.5611   -6.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8144    9.5447   -7.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1989    8.5386   -6.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3768    7.4154   -7.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6402    6.4736   -6.3353 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6285    5.8098   -5.5294 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7522    5.8590   -4.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9891    6.5679   -3.4695 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7801    5.0220   -3.4949 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2339    5.4203   -3.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6677    6.8182   -3.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4651    3.6626   -3.8234 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9902    2.5390   -3.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8336    2.6175   -2.3386 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5196    1.1978   -3.6878 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2486    1.0647   -5.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8880   -0.3868   -5.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4731   -0.4702   -7.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2100   -1.0444   -8.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7988   -1.1719   -9.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5585   -1.7559  -10.1278 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5942   -0.6863   -9.7531 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0605   -0.8164  -11.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3109    0.9400   -2.9597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1719    0.1028   -1.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586   -0.4963   -1.4019 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8317   -0.1050   -1.2892 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4327   -1.6077   -1.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4033   -2.2911   -2.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4409   -1.8773   -3.4812 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1513   -3.2671   -2.7417 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8485    0.4592    0.0299 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0485    1.3434    0.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1394    1.8589    1.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0385    1.7468   -0.1062 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7279    5.4089   -6.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1361    4.7374   -5.9850 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3712    5.0014   -8.1228 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7072    5.4674   -9.4362 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7207    4.2536  -10.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5232    4.4365  -11.7675 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9767    3.0642  -12.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7463    5.2213  -12.8648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2005    6.5738   -9.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3942    7.5285  -10.4312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5884    6.6332   -9.7426 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3844    5.6276   -9.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8540    6.0674   -9.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    7.5762   -9.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4283    7.6924  -10.2633 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9182    9.0853  -10.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9153    9.7854  -11.2600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4198    9.6256   -9.0243 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8604   10.9679   -8.7109 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5501   10.9944   -7.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7628   10.9763   -6.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5225   12.0889   -5.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5635   11.6942   -5.0633 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5195   10.3612   -4.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3971    9.4944   -4.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1214    8.1110   -4.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897    7.6166   -4.9676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1224    8.4967   -5.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4040    9.8754   -5.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4037   11.2669   -9.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0993   10.3372  -10.1162 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8650   12.5667   -9.9063 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3117   13.7547   -9.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1651   14.9228   -9.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7678   14.3701  -11.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8813   12.8493  -10.8895 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2349   12.4308  -10.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9442   11.5457  -11.1918 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7463   12.8792   -9.4021 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
  5 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 39 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 46 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  4  0  0  0  0
 57 58  4  0  0  0  0
 58 59  4  0  0  0  0
 59 60  4  0  0  0  0
 60 61  4  0  0  0  0
 61 62  4  0  0  0  0
 62 63  4  0  0  0  0
 63 64  4  0  0  0  0
 56 64  4  0  0  0  0
 59 64  4  0  0  0  0
 54 65  1  0  0  0  0
 65 66  2  0  0  0  0
 65 67  1  0  0  0  0
 67 68  1  0  0  0  0
 68 69  1  0  0  0  0
 69 70  1  0  0  0  0
 70 71  1  0  0  0  0
 67 71  1  0  0  0  0
 71 72  1  0  0  0  0
 72 73  1  0  0  0  0
 72 74  2  0  0  0  0
M  STY  1   1 DAT
M  SAL   1  1  58
M  SDT   1 MRV_IMPLICIT_H                                        
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 IMPL_H1
M  END
$$$$
COVPDB950
  Mrv2015 05262115453D          

 24 24  0  0  0  0            999 V2000
   -2.2792   -2.2321   -0.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8318   -1.3062    0.2684 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7815   -0.9840    1.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5578   -0.7554    0.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1488   -0.0622    1.2119 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3072   -0.9482   -0.7994 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5388   -0.4828   -0.8635 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7697    0.7087   -1.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115    1.9259   -1.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200    3.2111   -2.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1046    4.3213   -1.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3522    5.5399   -2.4552 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5226   -1.2108   -0.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7308   -0.8908   -0.3193 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1337   -2.2828    0.5355 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7931   -3.2538    1.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9969   -4.0316    2.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5646   -5.0622    2.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9496   -5.3619    2.7976 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7356   -4.5748    1.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1728   -3.5337    1.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5035   -6.3489    3.5297 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7326   -6.6638    3.4422 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9007   -6.9833    4.3053 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  CHG  2  22   1  23  -1
M  END
$$$$
COVPDB951
  Mrv2015 05262115403D          

 40 42  0  0  1  0            999 V2000
   -0.5722    1.9167   -0.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5439    2.7718   -0.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8383    2.2354   -0.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.8412   -0.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9041   -0.0148   -0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4058    0.5111   -0.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5652   -0.4060   -0.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5028   -1.4253   -1.4056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2951   -2.5306   -1.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2192   -2.7091   -0.6560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0073   -3.4462   -2.4528 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5863   -4.7578   -2.5663 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2138   -5.4010   -3.9402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6124   -4.5733   -5.2108 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1449   -4.3528   -5.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0466   -5.2311   -6.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0994   -5.5285   -1.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8976   -5.8860   -1.3287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9117   -5.6350   -0.3049 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4328   -5.7555    0.8975 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4315   -6.8559    1.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9490   -7.9421    1.3203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8232   -6.6797    2.8683 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6932   -7.5856    3.7935 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5035   -7.6760    4.8876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5158   -6.9344    4.9425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1994   -8.5538    5.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1198   -8.7667    7.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7941   -9.5870    8.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5421  -10.2219    8.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6170  -10.0442    7.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9471   -9.2161    6.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6161  -10.6396    7.1665 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917  -12.0140    6.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9842  -12.4957    6.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483  -12.9687    5.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7655  -13.4420    5.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6387  -13.4439    6.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1954  -12.9668    7.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8771  -12.4966    7.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 35 40  4  0  0  0  0
M  END
$$$$
COVPDB952
  Mrv2015 05262115403D          

 43 45  0  0  1  0            999 V2000
   -8.8134   -2.2456    4.5813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0501   -2.3092    5.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0103   -1.2067    6.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7266   -0.0383    6.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4889    0.0262    5.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5562   -1.0837    4.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3899   -1.0328    3.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6297   -0.4856    1.9506 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0402   -0.4203    0.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1713   -0.8512    0.3188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1793    0.0906   -0.2722 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4176    0.0876   -1.6960 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.2827    0.9725   -2.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9115    3.1345   -2.9411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3017   -1.3515   -2.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.2122   -3.3297   -2.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.5866   -2.4834   -2.6756 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0312   -4.0362   -3.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0715   -5.1877   -3.7521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8497   -3.4030   -3.0603 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6871   -3.8193   -3.4470 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7894   -4.4144   -2.6243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1256   -4.8063   -1.4812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3715   -4.4721   -3.0594 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6675   -5.8456   -2.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2350   -5.9380   -3.4547 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5958   -7.0754   -2.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724   -6.1215   -5.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6693   -3.3463   -2.5094 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4385   -3.0735   -1.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -3.8544   -0.2728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8459   -1.8798   -0.9223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5796   -1.3346    0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0801   -0.0266    0.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6805    1.1620    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0494    2.3951   -0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3492    2.4544   -0.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1171    1.2820   -0.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4864    0.0495    0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 17 21  4  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 42 43  4  0  0  0  0
 38 43  4  0  0  0  0
M  END
$$$$
COVPDB953
  Mrv2015 05262115403D          

 42 43  0  0  1  0            999 V2000
   -9.6610    3.8787   -1.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9705    5.2397   -1.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8395    5.8853   -1.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4005    5.1705   -0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0958    3.8079    0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2122    3.1491   -0.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8446    1.7324   -0.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8188    0.8241   -1.0471 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7290   -0.5361   -0.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8182   -1.0406   -0.2296 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6076   -1.3289   -1.6106 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4740   -2.7568   -1.7651 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.7509   -3.3756   -2.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0949   -3.1085   -1.6519 C   0  0  2  0  0  0  0  0  0  0  0  0
  -14.1337   -3.7170   -0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3013   -3.6220   -2.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2559   -2.9665   -2.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2534   -2.6798   -3.8134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0295   -3.2599   -1.9595 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7477   -3.0155   -2.3776 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8724   -3.8907   -2.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1430   -5.0988   -3.0963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6682   -3.3374   -3.1640 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6010   -3.9162   -3.6288 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6706   -4.4654   -2.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9888   -4.7851   -1.6328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2491   -4.5431   -3.2407 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5632   -5.9234   -2.9932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0874   -6.0327   -3.5187 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6844   -7.1698   -2.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0066   -6.2310   -5.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5434   -3.4203   -2.6839 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172   -3.1476   -1.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241   -3.9454   -0.4517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7633   -1.9385   -1.0722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5437   -1.3913    0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0998   -0.0662    0.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6681    1.1223    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    2.3736   -0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3528    2.4508   -0.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1274    1.2776   -0.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5038    0.0272   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 37 42  4  0  0  0  0
M  END
$$$$
COVPDB954
  Mrv2015 05262115513D          

 25 25  0  0  0  0            999 V2000
    3.9211   -9.2910   -3.6085 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2630   -8.1261   -3.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5011   -7.9394   -2.8472 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107   -7.2186   -2.8926 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4801   -5.9650   -2.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3105   -4.9994   -2.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2333   -3.7687   -1.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1960   -2.7283   -2.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828   -1.6180   -1.1904 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2997   -0.5358   -1.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4293   -0.4781   -2.4530 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    0.5136   -0.5578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3324    1.6885   -0.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4082    2.8457   -1.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2653    2.7892   -1.1623 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2571    4.0598   -1.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6589    4.1334   -1.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207    5.3487   -1.3460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4274    2.9835   -0.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9177    3.0795   -0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5201    2.9522   -2.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3651    1.8124   -2.7748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1983    3.8797   -2.5599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7428    1.7555   -0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6538    0.1841   -0.1225 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  1  0  0  0  0
 14 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 17 19  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 19 24  4  0  0  0  0
 13 24  4  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$
COVPDB955
  Mrv2015 05262115423D          

 16 16  0  0  1  0            999 V2000
    0.4289   -5.0113   -2.8031 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7099   -4.3701   -1.5121 P   0  0  2  0  0  0  0  0  0  0  0  0
    1.9533   -2.9217   -1.7799 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4239   -5.5143   -0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6441   -3.8561   -0.8135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5641   -2.9139   -1.4275 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1176   -3.3103   -2.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8202   -4.6896   -2.8703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0666   -1.4417   -1.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6008   -1.0951   -0.0606 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0327    0.1218   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6873    1.3365   -0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0077    2.5688    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3960    2.5944    0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1185    1.3887    0.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4378    0.1580    0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 11 16  4  0  0  0  0
M  END
$$$$
COVPDB956
  Mrv2015 05262115403D          

 42 44  0  0  1  0            999 V2000
    1.3768   -0.0627   -0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0974    1.1319   -0.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4206    2.3644   -0.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0232    2.4039   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6971    1.2110   -0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0285   -0.0356   -0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7837   -1.2908    0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0689   -1.9311   -1.1113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7632   -3.1006   -1.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1756   -3.7002   -0.2089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -3.5999   -2.4780 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6657   -4.8461   -2.7318 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2649   -4.8768   -4.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4738   -3.7852   -4.4224 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7349   -3.9305   -3.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0134   -3.7597   -5.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6983   -6.0454   -2.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4373   -7.3472   -2.3593 N   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5941   -8.5539   -2.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0005   -8.9335   -1.2131 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0465   -8.4296   -0.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1084   -8.7040    0.8972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0304   -7.5906   -1.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2288   -8.2424   -0.9674 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4717   -8.6823   -1.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345   -9.8115   -1.8334 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483   -7.8030   -1.0997 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8679   -7.4684    0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1046   -6.5605    0.7244 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4653   -7.2395    0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828   -6.1119    2.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4204   -6.5984   -1.8424 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0960   -6.1735   -2.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0282   -6.8285   -3.4626 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6926   -4.9788   -3.4480 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1798   -4.3181   -4.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4436   -3.0363   -4.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6728   -2.0072   -3.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9332   -0.8130   -3.8649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0082   -0.6549   -4.8451 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7641   -1.6140   -5.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4826   -2.8237   -5.7428 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 41  4  0  0  0  0
 41 42  4  0  0  0  0
 37 42  4  0  0  0  0
M  END
$$$$
COVPDB957
  Mrv2015 05262115403D          

 24 25  0  0  0  0            999 V2000
   -7.9403   -1.1916    3.0813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6194   -0.9545    1.7862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5581   -0.5856    1.0442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2916   -1.1096    1.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9275   -0.6692    0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6007   -0.7732   -0.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5995   -1.3297    0.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9640   -1.8196    1.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2876   -1.6979    2.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9982   -1.3156   -0.1024 P   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9043   -1.6614   -1.6599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2012   -2.3277    0.6165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3444    0.2658    0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0327    0.2374    0.5095 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8122    1.3399    0.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4192    2.4824    0.3530 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1273    1.2020    1.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2387    1.0283    0.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9162    2.1489   -0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0157    1.9766   -1.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4480    0.6826   -1.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0860    0.4284   -2.5719 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.7604   -0.4383   -0.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6618   -0.2670   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  1  0  0  0  0
 21 23  4  0  0  0  0
 23 24  4  0  0  0  0
 18 24  4  0  0  0  0
M  END
$$$$
COVPDB958
  Mrv2015 05262116083D          

 11 12  0  0  0  0            999 V2000
   -0.5735    2.4748    0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6483    3.3900    0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9845    2.9292   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2641    1.5473   -0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1855    0.6468   -0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8680    1.1009   -0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1753   -0.6938   -0.1588 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8980   -1.1221   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5439   -2.3205   -0.1599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0469   -0.0195   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2015   -0.0380    0.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
$$$$
COVPDB959
  Mrv2015 05262115463D          

 11 10  0  0  0  0            999 V2000
    1.7482   -1.7453    2.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3559   -1.2563    1.4576 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6134   -2.0976    1.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2784   -1.3202    0.4881 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5470   -0.7436   -0.9811 P   0  0  1  0  0  0  0  0  0  0  0  0
    2.2748    0.6118   -0.9087 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3528   -1.7058   -1.7443 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1490   -0.5511   -1.7446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9242    0.1842   -1.1087 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1561    0.0055   -2.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6302    1.6974   -0.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
$$$$
COVPDB95
  Mrv2015 05262115583D          

 28 32  0  0  0  0            999 V2000
    3.1890    3.4007   -2.4740 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1636    2.9305   -1.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5964    1.7187   -2.1953 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0843    0.7669   -3.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1404   -0.6433   -2.6845 N   0  0  1  0  0  0  0  0  0  0  0  0
    2.4614   -1.6620   -3.7251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9853   -3.0446   -3.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.3829   -1.8441 N   0  0  2  0  0  0  0  0  0  0  0  0
    1.9626   -4.6861   -1.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6018   -5.8497   -1.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8840   -6.2896   -1.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5179   -7.3830   -2.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8710   -8.0181   -3.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3217   -9.0555   -4.0013 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3937   -9.0336   -5.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -8.3246   -4.7455 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6215   -7.5963   -3.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9595   -6.5296   -3.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3587   -2.2650   -0.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8728   -0.9156   -1.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4973    1.5958   -1.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4351    0.5460   -1.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4504    0.6610   -0.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5497    1.8238    0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6316    2.8819    0.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3868    2.7413   -0.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4236    3.5925   -0.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6465    4.7341   -0.4859 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  4  0  0  0  0
 17 18  4  0  0  0  0
 10 18  4  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5 20  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 26 27  1  0  0  0  0
  2 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
$$$$
COVPDB960
  Mrv2015 05262115443D          

 23 23  0  0  1  0            999 V2000
    2.6157    0.5500    0.3416 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.5788    0.7497   -0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1353    1.5635    0.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6055    2.6744    0.4378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2572    1.0850    2.0462 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8417    1.7573    3.1712 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0737    0.9575    3.7254 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6305    1.5512    5.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2228    0.8599    2.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2438    1.9054    4.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7609    0.8733    4.6668 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6372    3.1471    4.5779 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    3.4265    5.6302 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4314    4.8604    5.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0346    5.1981    7.1308 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7280    5.8408    5.1168 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0461    3.0590    5.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9150    3.0812    6.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8659    2.0104    7.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6549    2.0297    8.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010    3.1216    8.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5634    4.1922    7.9225 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7725    4.1738    6.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
M  END
$$$$
COVPDB961
  Mrv2015 05262116063D          

 22 23  0  0  0  0            999 V2000
    9.0164   -2.6395    9.6481 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7466   -3.5203    8.4267 B   0  0  0  0  0  0  0  0  0  0  0  0
    9.7632   -4.5984    8.0379 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5192   -3.2111    7.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7440   -2.8189    6.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6598   -2.5496    5.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3064   -2.6537    5.7416 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1026   -3.0558    7.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5678   -3.2418    7.8160 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1993   -3.3305    7.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2111   -2.3771    4.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2547   -1.9964    3.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1899   -1.7129    2.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8206   -1.7995    3.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768   -1.5134    2.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0688   -1.1292    0.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4070   -1.0351    0.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4582   -1.3194    1.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0183   -1.1526    0.6826 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0665   -0.7979   -0.1855 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4980   -1.8664   -1.1935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4489    0.6614   -0.4470 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
  4 10  4  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
$$$$
COVPDB962
  Mrv2015 05262116123D          

 25 27  0  0  0  0            999 V2000
    0.3644   -1.9726    0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9723   -1.4320   -0.3569 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9202   -2.5421   -0.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8043   -0.3253   -1.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2705   -0.3352   -2.4485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4163    0.6772   -0.6600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8161   -0.2227    0.7250 S   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9813    0.2910    1.9886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4001   -0.4119    0.8479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6964    2.0129   -1.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3287    2.9144   -0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0097    4.2388    0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8994    4.6647    1.0771 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    3.6789    1.3595 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3877    2.6289    0.6656 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9995    5.9699    1.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2933    6.6173    1.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4025    6.5622    2.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6273    7.1598    1.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7979    7.8347    0.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9748    8.3913    0.2403 N   0  3  0  0  0  0  0  0  0  0  0  0
   -8.1421    9.0138   -0.8566 O   0  5  0  0  0  0  0  0  0  0  0  0
   -8.9304    8.3349    0.9114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6715    7.8971   -0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4470    7.2950    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 20 24  4  0  0  0  0
 24 25  4  0  0  0  0
 17 25  4  0  0  0  0
M  CHG  2  21   1  22  -1
M  END
$$$$
COVPDB963
  Mrv2015 05262116123D          

 23 25  0  0  0  0            999 V2000
   -3.0517    7.8676   -0.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9633    7.3950    0.1223 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0841    8.5465    0.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4917    6.5016    1.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3212    6.7488    2.0747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8792    5.3450    0.8569 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0094    5.9512   -0.4729 S   0  0  2  0  0  0  0  0  0  0  0  0
    0.5577    5.9568   -0.1529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    5.2996   -1.8371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0570    4.0392    1.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2015    2.9607    0.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5293    1.9752    1.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0564    1.1754    0.6794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2214    1.6377   -0.5013 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9762    2.6890   -0.4187 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8476    0.0068    0.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1939   -1.2088    0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5480   -1.7053   -0.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0883   -2.8412   -1.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0834   -3.5034   -0.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9442   -4.9896   -1.4161 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4350   -3.0326    0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8020   -1.8928    1.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  1  0  0  0  0
 20 22  4  0  0  0  0
 22 23  4  0  0  0  0
 17 23  4  0  0  0  0
M  END
$$$$
COVPDB964
  Mrv2015 05262116123D          

 27 30  0  0  1  0            999 V2000
    6.3397    4.1521   -8.4754 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2461    3.7330   -7.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3597    4.3666   -6.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3014    3.9586   -4.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1318    2.9141   -4.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9818    2.2507   -5.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0452    2.6640   -6.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1222    2.5176   -3.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8549    1.2638   -2.7353 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9076    1.1785   -1.4366 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2480    2.3867   -0.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3774    3.2718   -2.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4414    2.8011    0.3417 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7755    4.0981    0.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9078    4.9796   -0.4413 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7203    4.6148   -1.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8736    5.5496   -2.6925 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5550   -0.0041   -0.6909 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9137   -1.3266   -1.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4908   -2.5148   -0.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9697   -2.4970   -0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3072   -1.2028   -0.1510 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0351    0.0435   -0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9227   -1.1881    0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3259   -2.2805    0.2629 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1304   -0.0326    0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2089   -0.0071    0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
  8 12  4  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 12 16  4  0  0  0  0
 16 17  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
$$$$
COVPDB965
  Mrv2015 05262116023D          

 25 26  0  0  1  0            999 V2000
   -9.6002   -5.0147   -3.0964 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0556   -5.3318   -1.7818 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.6764   -4.0559   -1.1562 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.0424   -4.1480   -0.3709 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.7459   -5.5303   -0.2373 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.8195   -6.7509   -0.5504 C   0  0  1  0  0  0  0  0  0  0  0  0
  -12.5965   -7.9471   -0.6289 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0329   -6.5389   -1.8732 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.2912   -7.7159   -2.1996 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3912   -5.6342    1.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7161   -5.4004    1.2404 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7340   -5.9300    2.1175 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7980   -4.0063    0.2386 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1662   -3.9016    1.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8738   -3.7672    2.4575 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6974   -4.0040    1.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9112   -2.8022    0.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3762   -3.0233    1.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5471   -1.7907    0.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0198   -2.0537    0.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1774   -0.8228    0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6531   -1.0815    0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483    0.0506   -0.0179 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2144    0.1191   -0.0415 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3742    0.1850   -0.0643 N   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  4 13  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  2  0  0  0  0
M  CHG  2  24   1  25  -1
M  END
$$$$
COVPDB966
  Mrv2015 05262115533D          

 29 31  0  0  0  0            999 V2000
   -1.9481    1.1421    1.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7259    1.2263    0.5938 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9168    2.1811   -0.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2107   -0.1246    0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1774   -0.0888   -0.5027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8740   -1.7416   -0.8061 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4392   -1.3175   -2.1523 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6853   -0.5635   -1.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0054   -0.1838   -1.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0384    0.3449   -0.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4486    0.4625   -1.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8076    1.6059   -1.5771 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3763   -0.5681   -1.1265 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0144   -1.9609   -0.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5762   -2.4900    0.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0570   -2.2734    0.4746 N   0  0  2  0  0  0  0  0  0  0  0  0
   11.6403   -2.7955    1.7566 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5260   -4.2868    1.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4778   -4.8160    2.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2200   -6.1923    2.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0192   -7.0815    1.9587 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1070   -6.5977    1.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9312   -7.5128    0.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0384   -7.0578   -0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3196   -5.6844   -0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4885   -4.7618    0.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3736   -5.1918    1.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4176   -0.8427    0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8061   -0.3165   -1.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 18 27  4  0  0  0  0
 22 27  4  0  0  0  0
 16 28  1  0  0  0  0
 28 29  1  0  0  0  0
 13 29  1  0  0  0  0
M  END
$$$$
COVPDB967
  Mrv2015 05262116123D          

 14 14  0  0  0  0            999 V2000
   -1.5387    2.3931   -0.2860 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0469    1.1905   -0.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4255    0.4975   -1.4684 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0979    0.5364    0.6424 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962    1.2838    0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7761    0.7134    1.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3945   -0.5074    0.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4006   -1.0657    1.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8010   -0.4105    2.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956    0.8059    3.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1914    1.3639    2.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9241   -1.0466    3.5510 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.5585   -2.0929    4.6087 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3974   -0.7578    3.2489 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  6 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
$$$$
COVPDB968
  Mrv2015 05262116053D          

 18 19  0  0  0  0            999 V2000
   -5.6504    0.7405    2.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1935    1.6745    1.2779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1077    1.7838    0.1943 B   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2549    2.5085   -1.1470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9186    0.8841    0.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3120    0.2924    1.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6693    0.6363    0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792   -0.2531    0.6799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1959   -0.8923    1.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4564   -0.6228    2.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -0.5723    0.2499 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3843    0.1982   -0.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1736    1.3933   -0.7160 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5683   -0.4330   -0.6621 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8392   -0.0222   -1.2180 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9113   -0.6399   -0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0683    1.5183   -1.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9415   -0.6671   -2.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  1  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  6 10  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
$$$$
COVPDB969
  Mrv2015 05262116043D          

 17 18  0  0  1  0            999 V2000
   -2.9774   -5.9000    3.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6366   -7.1445    3.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7627   -7.3226    2.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2442   -6.2506    1.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5884   -5.0075    1.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4404   -4.8241    2.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7791   -3.4989    2.3112 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2596   -3.3112    2.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2011   -3.0765    0.9408 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5380   -1.7222    0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8832   -0.7163    0.8384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5735   -1.6303   -0.3864 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9272   -0.5218   -0.9635 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8860    0.3060   -0.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4748    0.0596    0.5959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2325    1.5156   -1.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8812    1.0821   -2.8242 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
$$$$
COVPDB96
  Mrv2015 05262115583D          

 30 32  0  0  0  0            999 V2000
    5.7632   -2.9701  -10.2880 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6696   -3.0325   -8.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6142   -3.7957   -8.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6996   -4.5311   -8.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5336   -3.8191   -6.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5387   -3.1039   -6.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5974   -2.3670   -6.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6420   -2.3302   -8.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388   -1.5320   -9.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5665   -3.1350   -4.6701 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6166   -2.7020   -3.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777   -2.6703   -2.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6400   -2.0154   -1.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6318   -1.8923   -0.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7218   -2.4575    0.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7967   -3.1460   -0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7170   -3.2437   -1.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8737   -3.6934    0.5351 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8844   -3.6707    1.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0012   -4.3348   -0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5703   -1.2242    0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4969   -1.2717    1.6655 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3170   -0.2911   -0.4055 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2790    0.4173    0.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    1.6935    1.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2949    2.2871    2.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517    1.6047    2.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2580    2.1576    3.5744 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7396    0.3260    2.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8747   -0.2677    1.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  2  8  4  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 12 17  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  1  0  0  0  0
 27 29  4  0  0  0  0
 29 30  4  0  0  0  0
 24 30  4  0  0  0  0
M  END
$$$$
COVPDB970
  Mrv2015 05262116043D          

 15 15  0  0  0  0            999 V2000
   -1.1655   -5.0014   -5.0612 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7394   -4.7263   -4.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6130   -4.5238   -2.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1131   -5.3728   -2.0878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9675   -3.4142   -2.4088 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7460   -3.0576   -1.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1210   -3.7517   -0.1426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0819   -1.8868   -0.9171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7516   -1.3063    0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0215   -0.0388    0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7239    1.1836   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    2.3881   -0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3715    2.3846   -0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0809    1.1748   -0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3889   -0.0303   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
M  END
$$$$
COVPDB971
  Mrv2015 05262115493D          

 24 26  0  0  1  0            999 V2000
   -1.6834   -1.3239    1.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5676   -1.6543    2.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9029   -1.2160    2.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3546   -0.4536    1.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4678   -0.1182    0.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1200   -0.5474    0.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1723   -0.1961   -0.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9349   -1.3277   -1.3579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -1.3172   -2.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5571   -0.2851   -2.7089 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0428   -2.4124   -3.2177 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931   -2.6989   -4.3259 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1480   -4.0623   -4.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5829   -3.5896   -3.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4923   -4.1091   -2.5782 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6697   -2.8200   -3.8610 S   0  0  2  0  0  0  0  0  0  0  0  0
    3.4854   -3.4472   -5.0927 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8035   -3.8142   -2.6076 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3277   -1.2207   -3.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2898   -0.1945   -4.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8186    1.0768   -4.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3827    1.3329   -2.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4239    0.3137   -1.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8913   -0.9569   -2.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
M  END
$$$$
COVPDB972
  Mrv2015 05262116043D          

 12 12  0  0  0  0            999 V2000
   -0.8099    1.5672    3.7209 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2926   -0.1022    3.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7455   -0.6059    2.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6104   -1.5149    2.1707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2087   -0.0750    1.0768 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5955   -0.4342   -0.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3628    0.0987   -1.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3381    1.3431   -1.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3508    1.5418   -2.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4901    3.0933   -3.8463 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2482    0.4820   -2.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7610   -0.7615   -1.8520 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
  7 12  4  0  0  0  0
M  END
$$$$
COVPDB973
  Mrv2015 05262116043D          

 14 14  0  0  0  0            999 V2000
    2.7888    1.3635   -4.3857 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0378    1.0426   -3.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3181   -0.1542   -2.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345   -0.5398   -1.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4558    0.2613   -1.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1968    1.4751   -1.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9679    1.8713   -2.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6490    3.1396   -3.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4007   -0.1826   -0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.3788    1.2301 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3685   -0.0633    2.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1171   -1.0632    2.5762 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0867    0.6266    3.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4549    2.2998    3.7034 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
$$$$
COVPDB974
  Mrv2015 05262116043D          

 11 11  0  0  0  0            999 V2000
   -1.2468    3.3585   -2.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5395    2.4377   -2.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0677    1.3118   -1.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0444    0.7757   -0.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0380    1.5573   -0.7999 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7518    2.5417   -1.6144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1723   -0.3344    0.1458 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7730   -0.8761    0.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9074   -0.3600    1.1045 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4498   -2.1028    1.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5265   -3.5026    0.6524 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$
COVPDB975
  Mrv2015 05262116043D          

 13 13  0  0  0  0            999 V2000
   -1.8831   -4.0159   -1.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7482   -3.3853   -1.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3485   -4.1740   -0.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4334   -3.5940   -0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4278   -2.2188    0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3449   -1.3919   -0.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7342   -1.9961   -0.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3866   -0.0340    0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4784    0.8258   -0.3284 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440    2.1406   -0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5701    2.7154   -0.5475 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4863    2.9648    0.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9681    3.0140   -0.3901 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
$$$$
COVPDB976
  Mrv2015 05262116043D          

 18 18  0  0  0  0            999 V2000
   -0.2538    0.9742    4.3052 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3392    1.6611    3.8140 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1521    1.7155    2.4519 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2934    2.9430    4.3019 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6426    1.0456    4.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7883    0.3337    5.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0207   -0.2400    5.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1318   -0.1075    4.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0188    0.6108    3.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7776    1.1862    3.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0476    0.7349    2.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9822    0.8268    2.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0495    0.8858    1.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5453    2.2188    1.1892 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7577    2.5497    0.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5671    1.6621    0.2963 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1449    3.9661    0.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0428    4.8192   -0.5601 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  3  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$
COVPDB977
  Mrv2015 05262116123D          

 40 44  0  0  1  0            999 V2000
    3.7908   -2.8659   -0.5968 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1833   -3.8239   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5409   -5.2229   -0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6061   -5.9945    0.4989 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5334   -5.1178    0.8992 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0711   -3.6823    0.8651 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2690   -5.0902   -0.0012 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4532   -5.5888   -1.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5985   -6.0197   -2.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1470   -3.5951    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9947   -2.8424    0.4320 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0632   -1.4620    0.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1505   -0.9397    0.8862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931   -0.5320    0.3838 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2514    0.7834   -0.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9711    0.6019   -1.7739 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3238    1.9753   -2.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1677   -0.2877   -2.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4480   -0.2788    1.7548 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5173   -0.7952    2.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4741   -1.2811    1.7898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4858   -0.9136    3.8672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3782   -1.7808    4.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2068   -2.0867    5.9132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1349   -1.5397    6.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3266   -0.5729    6.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5040   -0.2593    4.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8780   -1.9770    7.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8820   -2.3722    8.8348 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5629   -2.7704   10.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1891   -2.6772   10.1867 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4065   -2.0721    8.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5661   -1.8110    8.0276 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4330   -3.1118   11.1030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7634   -3.6034   10.8333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7929   -2.5849   11.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5136   -2.2195   12.8112 N   0  0  2  0  0  0  0  0  0  0  0  0
   -5.4763   -1.2149   13.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0911   -1.8242   13.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1124   -2.8883   12.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  3  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 22 27  4  0  0  0  0
 25 28  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 28 32  4  0  0  0  0
 32 33  1  0  0  0  0
 30 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 34 40  1  0  0  0  0
M  END
$$$$
COVPDB978
  Mrv2015 05262116043D          

 16 16  0  0  1  0            999 V2000
    2.0877    0.5140    0.8958 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5963    1.4203    0.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0225    1.1470   -0.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0482    2.0647   -1.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4362   -0.0996   -0.9220 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9777   -0.4563   -2.0516 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3139   -0.4235   -2.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0982    0.0460   -1.4297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8521   -0.9988   -3.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5116    0.0290   -4.5245 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7424   -0.5814   -5.9383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3540   -1.4146   -5.7239 S   0  0  1  0  0  0  0  0  0  0  0  0
   -6.2877   -1.2330   -7.0105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1409   -2.9606   -5.3575 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9085    0.5620   -4.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0112   -0.5003   -4.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
$$$$
COVPDB979
  Mrv2015 05262116043D          

 13 13  0  0  0  0            999 V2000
    2.6981   -5.3120    0.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2033   -3.9163    0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9237   -3.6126   -0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4492   -2.2875   -0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2403   -1.2229    0.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5170   -1.5393    0.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9919   -2.8633    0.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8136    0.1041    0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3056    0.4642   -0.2945 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8616    1.6635   -0.4192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9995    1.6813   -0.9406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552    2.9478   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1425    3.3390   -0.9965 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  2  7  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
$$$$
COVPDB97
  Mrv2015 05262116013D          

 10 10  0  0  0  0            999 V2000
    1.5498    5.1007    0.6551 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2221    4.8711    0.8014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4646    5.8619    1.1324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3185    3.5772    0.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5874    2.5769    0.3931 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2592    1.2784    0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0927    0.9071    0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0710    1.8995    0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7029    3.2421    0.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0063    4.3828    0.7755 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  4  9  4  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$
COVPDB980
  Mrv2015 05262116123D          

 39 43  0  0  1  0            999 V2000
   -0.1752   -2.2633   -1.6446 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5826   -2.1519   -0.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8746   -1.4777   -0.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3949   -1.5112    0.6321 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6261   -2.4671    1.3865 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2770   -2.6625    0.6795 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2442   -3.8826    1.5114 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5438   -4.2290    0.3617 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0385   -4.8337    1.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0353   -4.0604    0.7670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2826   -4.5673    0.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1547   -3.7759   -0.0078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7193   -5.9781    0.6659 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5147   -6.6204   -0.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8582   -6.5029   -1.9271 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8325   -7.0140   -3.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4821   -7.2207   -2.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5416   -5.8476    1.8299 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1466   -6.0594    3.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1883   -6.8383    3.3468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7023   -5.2645    4.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069   -5.2490    5.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4738   -4.2886    6.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4531   -3.3127    6.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1436   -3.4095    4.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7785   -4.3693    3.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7239   -2.2526    7.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625   -2.4678    8.5226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0507   -1.2571    9.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2435    0.1066    7.9725 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9365   -0.9098    6.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8917   -0.4809    5.3390 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2074   -1.1389   10.4776 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4040   -1.9016   11.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3223   -2.9071   12.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5256   -2.2345   12.7250 N   0  0  2  0  0  0  0  0  0  0  0  0
   -6.4464   -3.2046   13.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2408   -1.3153   11.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2658   -0.3498   11.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 21 26  4  0  0  0  0
 24 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 27 31  4  0  0  0  0
 31 32  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 33 39  1  0  0  0  0
M  END
$$$$
COVPDB981
  Mrv2015 05262116043D          

 14 14  0  0  0  0            999 V2000
   -0.0058   -7.1032    1.3153 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6827   -6.8770   -0.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6093   -5.7287   -0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8079   -5.9295   -0.6345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1627   -4.4750   -0.0312 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9912   -3.3129    0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2497   -2.1635    0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6328   -1.1387    0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0175   -0.0064    0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4302    0.0100    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250    1.2340   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4153    2.4477   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0094    2.4400   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6888    1.2181    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
M  END
$$$$
COVPDB982
  Mrv2015 05262116043D          

 15 15  0  0  0  0            999 V2000
    1.9838    0.6766    1.1805 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4744    1.5257    0.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0432    1.2003   -0.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944    2.1157   -1.3177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3760   -0.0811   -0.7739 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8524   -0.4603   -1.9284 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1795   -0.4527   -2.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9719    0.0290   -1.3936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6560   -0.9703   -3.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7811   -1.0167   -4.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1926   -1.5418   -5.8417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5087   -1.9953   -6.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4026   -1.9461   -4.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9831   -1.4628   -3.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1403   -1.5631   -2.4247 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
  9 14  4  0  0  0  0
 14 15  1  0  0  0  0
M  END
$$$$
COVPDB983
  Mrv2015 05262116043D          

 12 12  0  0  0  0            999 V2000
   -0.6212   -3.1648    1.1905 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9506   -2.1602    2.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3642   -0.8241    2.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5865   -0.4626    3.1390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8745   -0.0089    1.4402 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3688    1.2812    1.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3166    2.0039    0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3772    2.0081   -1.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3455    2.8643   -1.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1128    3.5794   -0.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3009    4.7285   -1.1327 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5852    3.0816    0.8025 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
  7 12  4  0  0  0  0
M  END
$$$$
COVPDB984
  Mrv2015 05262116093D          

 18 18  0  0  0  0            999 V2000
   -4.7939   11.1342    2.0951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5179   11.1039    1.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9826   12.2169    1.4237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8098    9.8997    1.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5738    9.9903    1.1852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4365    8.6532    1.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8161    7.4732    1.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4684    6.2694    1.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8495    5.0862    0.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4392    3.8084    0.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8272    3.5605    1.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3549    2.2565    0.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5265    1.1280    0.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1398    1.3714    0.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6122    2.6758    0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0311   -0.1202    0.6874 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.3076   -1.1477    0.4929 O   0  5  0  0  0  0  0  0  0  0  0  0
   -6.1693   -0.3534    0.8146 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 10 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  CHG  2  16   1  17  -1
M  END
$$$$
COVPDB985
  Mrv2015 05262115583D          

 20 19  0  0  1  0            999 V2000
    0.8601    0.9193    2.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3151   -0.1201    1.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1349   -0.1758    0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5834   -1.2222   -0.6507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064   -1.2743   -1.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -2.3156   -2.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6997   -2.3543   -4.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1615   -3.3945   -5.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9980   -3.4317   -6.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4701   -4.4736   -7.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3142   -4.5172   -8.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7887   -5.5701   -9.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6220   -5.6370  -11.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0551   -6.6731  -12.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8263   -6.6880  -13.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -7.7010  -14.6750 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1463   -7.7626  -15.9461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8430   -7.4032  -15.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1428   -8.2504  -14.6562 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5291   -6.3674  -15.6666 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
$$$$
COVPDB986
  Mrv2015 05262115543D          

 25 27  0  0  0  0            999 V2000
    1.8441    0.3324   -1.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6228   -0.2747   -2.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2206   -1.4633   -1.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0508   -2.0194   -0.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180   -1.4052   -0.3389 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6501   -0.2605   -0.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8878    0.2890   -0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5957    1.2043   -1.2477 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7118    1.4199   -0.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6604    0.6617    0.5901 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5645   -0.0250    0.5661 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7752    2.2721   -0.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5836    2.6202    0.0162 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9520    2.7120   -2.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2860    3.4521   -2.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5171    3.6880   -4.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8428    4.4401   -4.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0456    4.6801   -5.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3409    5.4641   -6.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4997    5.7014   -7.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9740    6.8706   -8.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1976    7.1382   -9.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9413    6.2349  -10.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4315    5.0475   -9.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2080    4.7802   -8.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  1  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
  7 11  4  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 20 25  4  0  0  0  0
M  END
$$$$
COVPDB987
  Mrv2015 05262115563D          

 40 44  0  0  1  0            999 V2000
   12.5798   -4.2931    1.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3826   -3.0877    2.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9903   -2.9949    3.0743 N   0  0  1  0  0  0  0  0  0  0  0  0
   10.6646   -4.0057    4.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1449   -3.9913    4.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4768   -2.6964    4.4689 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1711   -1.5085    3.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6662   -1.6383    3.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1163   -2.6151    4.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4571   -1.3770    5.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0846   -1.2978    5.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2948   -2.4596    5.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9203   -3.7131    5.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0799   -5.1866    5.3502 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2976   -3.7734    4.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362   -2.2847    5.6267 S   0  0  2  0  0  0  0  0  0  0  0  0
    2.1567   -0.8719    6.2869 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9206   -3.4506    6.5408 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8299   -2.3791    3.9270 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2240   -1.1756    3.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9001   -0.4123    2.8002 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0729   -1.4795    2.8413 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2890   -2.4016    3.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1740   -1.6308    2.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4777   -0.7459    1.1771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0478   -2.8363    1.9826 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8093   -3.1905    3.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5655   -2.5527    2.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6307   -3.9699    0.9927 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7119   -3.4485   -0.3125 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3835   -4.4804    1.3942 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4811   -5.0506    1.0122 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9969    0.4801    1.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7997    1.7099    1.7545 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3166   -0.0370    0.3950 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5161    0.7078   -0.8016 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6282    0.1676   -1.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3904    1.5759   -1.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8132    0.9418   -1.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8996    1.1321   -1.5022 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  1  0  0  0  0
 13 15  4  0  0  0  0
  9 15  4  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 21 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  3  0  0  0  0
M  END
$$$$
COVPDB988
  Mrv2015 05262116123D          

 29 34  0  0  1  0            999 V2000
   -3.3114   -2.0641   -3.7463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6662   -0.8761   -3.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1817   -0.4652   -5.1407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7287    0.8772   -5.3351 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6657    1.9523   -5.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3504    2.1371   -4.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3943    1.2967   -3.9841 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6066    0.4271   -3.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2494    1.2289   -3.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7348    2.4248   -2.7522 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4575    0.1253   -2.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1766    0.2514   -2.2621 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5031    1.6551   -2.5160 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4315    2.5905   -3.4073 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0698    4.1011   -3.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2818    0.0283   -0.7187 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2305   -1.4920   -0.3014 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1309   -1.7565    0.7531 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1343   -1.2010    0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    0.0724   -0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4674    0.6432   -0.5674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705    0.8733   -0.1937 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1474    2.1426   -1.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2920   -3.2646    1.0459 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6338   -4.0755    0.0685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448   -3.4693    0.9973 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4510   -3.8366    2.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4421   -2.1476    0.4030 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5403   -2.3834   -0.4759 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 14  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 13 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 17 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
$$$$
COVPDB989
  Mrv2015 05262116123D          

 23 25  0  0  1  0            999 V2000
   -0.8364   11.3939    2.3577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1066   10.2523    2.2856 S   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8739    9.1209    3.3946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1332    9.6074    0.8214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6184   11.0103    2.5700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4481   12.0755    3.3108 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5261   12.1135    4.7480 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6261   13.3404    4.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3027   14.0813    3.9596 N   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4316   14.9192    4.2736 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5243   13.8624    4.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9684   12.4774    5.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1518   16.0070    5.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9752   16.2600    5.6015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1883   16.7338    5.7396 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1137   17.6709    6.8202 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7652   16.9342    8.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9017   17.8666    9.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2426   18.4920    9.4168 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5500   19.2875    8.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4782   18.4109    6.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3120   13.3350    2.8388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4316   13.7156    1.6518 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
  9 22  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
$$$$
COVPDB98
  Mrv2015 05262116093D          

 16 16  0  0  1  0            999 V2000
   -4.0924   -0.3563    3.0555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8991    0.0199    3.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5676    1.0994    2.3406 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8554   -0.6846    3.8403 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6338   -1.9818    3.2638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0438   -1.9677    4.6356 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3787   -2.5353    4.9012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8064   -3.4444    4.1526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2086   -2.0624    6.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5735   -2.3809    7.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4117   -1.9141    8.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4274   -2.6345    9.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3204   -2.1320   10.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0661   -0.9523    9.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9301   -0.9532    8.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6293    0.2296    8.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$
COVPDB990
  Mrv2015 05262115563D          

 39 42  0  0  1  0            999 V2000
    2.2283   -2.0883   -8.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8011   -0.8355   -7.4242 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8633   -0.5099   -6.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6222    0.3725   -8.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5920   -1.2269   -6.7309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5185   -0.5192   -6.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6697    0.6943   -6.6117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5242   -1.0971   -5.6507 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5755   -2.4529   -5.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5240   -2.4475   -3.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3831   -1.7734   -2.8832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8977   -1.9220   -1.6396 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8578   -2.6991   -1.7126 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6066   -3.0289   -2.9448 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4327   -1.2518   -0.4778 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8186   -1.6008    0.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7003   -0.5369    1.1236 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6599   -1.1585    1.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -1.0290    0.2110 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1261   -1.8674    2.3071 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4769   -2.3460    2.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6550   -2.9341    3.7886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208   -3.3087    4.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3657   -2.2275    3.4769 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1228   -1.1479    4.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0905   -0.2475    4.9760 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9052    0.4696    0.0974 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1537    0.2646   -0.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0698    1.5692   -0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8304    1.7968    0.7386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1695    2.5367   -1.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1835    3.1173   -1.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313    3.9616   -3.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3441    4.3854   -3.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9880    3.6123   -4.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2393    3.9981   -5.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8630    5.1691   -4.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2316    5.9559   -3.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9816    5.5656   -3.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 10 14  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  3  0  0  0  0
 17 27  1  0  0  0  0
 27 28  1  0  0  0  0
 15 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 34 39  4  0  0  0  0
M  END
$$$$
COVPDB991
  Mrv2015 05262116083D          

 20 22  0  0  0  0            999 V2000
    3.7044   -1.8194    4.7771 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1319   -0.9085    4.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2586   -0.1485    3.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    0.9440    2.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9532    1.4344    2.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6180    1.6473    1.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3039    1.3828    1.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3830    2.1241    0.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9988    1.8351    0.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7439    3.1473   -0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2205    3.8993   -0.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6032    3.6054   -0.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9818    2.5338    0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2341    4.9865   -1.7193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8748    6.0267   -1.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1928    5.3069   -2.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    4.3564   -1.3270 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9721    4.2084   -0.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3256    2.7255   -0.7452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4078    2.1336    0.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
  9 13  4  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
$$$$
COVPDB992
  Mrv2015 05262115463D          

 24 26  0  0  1  0            999 V2000
    1.0365   -0.2894   -0.3104 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0979   -0.3492   -0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4573   -0.4198    0.0575 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9109   -1.8916    0.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2861   -1.9474   -0.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1834   -0.8713   -1.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2590    0.1128   -1.0204 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2152    1.4092   -1.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9830    1.6887   -2.4865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    2.5210   -1.0445 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2167    3.5934   -2.0517 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8452    3.1567    0.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9402    4.2013    0.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3346    5.5578    0.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4779    6.5348    1.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7952    6.1826    1.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1893    4.8247    1.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3335    3.8505    1.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448    7.1720    2.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0660    8.2891    1.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8804    9.2836    2.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2794    9.1774    3.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8740    8.0703    4.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0663    7.0709    3.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 13 18  4  0  0  0  0
 16 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 19 24  4  0  0  0  0
M  END
$$$$
COVPDB993
  Mrv2015 05262116123D          

 36 38  0  0  1  0            999 V2000
    8.1483   -6.3022    0.3616 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8495   -5.9702    0.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9116   -6.9370    0.6686 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5819   -6.6466    0.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1479   -5.3606    0.6539 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0497   -4.3651    0.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8898   -3.0367    0.3174 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -2.5340    0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0779   -3.4953    0.1677 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4099   -4.6397    0.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6422   -2.3130    0.3435 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6752   -1.2280   -0.5978 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831    0.0279    0.1063 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7138    1.0014   -0.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1517    2.3283   -0.6333 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0491    3.4001   -1.4123 P   0  0  1  0  0  0  0  0  0  0  0  0
    5.2284    2.9127   -2.9112 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3801    4.7070   -1.4161 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4999    3.4784   -0.7571 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5693    4.1388    0.6950 P   0  0  2  0  0  0  0  0  0  0  0  0
    5.4165    3.6023    1.6390 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4983    5.6004    0.5886 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9703    3.7357    1.3480 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1793    2.3213    1.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6321    2.0341    1.9816 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7399    0.6197    2.1590 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7670    2.5005    1.0124 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5245    1.9837   -0.2975 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0111    4.0403    0.9413 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2288    4.5949    2.2368 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1978    4.3853    0.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1018    5.0919   -0.8947 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -0.2971    1.6006 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3560    0.6611    2.4861 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3234   -1.6998    1.7266 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9126   -1.6295    1.9430 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  2 10  4  0  0  0  0
  6 10  4  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 13 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 11 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
$$$$
COVPDB994
  Mrv2015 05262116123D          

 36 39  0  0  1  0            999 V2000
    1.0035   -0.3026    1.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7876   -0.0193   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5928   -0.8828   -0.8597 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7485   -0.3382   -1.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8685   -1.3801   -1.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4027   -2.7133   -2.1409 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3031   -3.6182   -2.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590   -4.7967   -2.9727 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6067   -3.2907   -2.9970 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6114   -4.1717   -3.5244 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4165   -4.7223   -4.9007 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0668   -5.7541   -5.1868 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6333   -4.2920   -5.9269 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7873   -3.1466   -6.0158 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7123   -2.5393   -7.4534 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3473   -3.3615   -8.9540 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7530   -4.0328   -9.5837 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6303   -3.7436  -11.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7720   -5.5763   -9.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6623   -3.3550   -8.6683 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4075   -3.0710   -7.4919 N   0  0  1  0  0  0  0  0  0  0  0  0
    3.3876   -3.5158   -6.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5489   -4.1566   -5.5659 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0247   -2.1214   -9.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6882   -2.0887   -9.3735 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6885   -1.0949   -9.4511 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9575   -3.5277   -3.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9987   -4.1335   -2.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2700   -3.5372   -2.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5248   -2.3212   -3.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5009   -1.6972   -3.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2310   -2.2990   -4.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0879   -3.0622   -1.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5932   -4.1642   -2.1780 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2440   -2.1994   -1.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1709   -2.6644   -0.6265 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  2  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 10 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 27 32  4  0  0  0  0
  6 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
  3 35  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
$$$$
COVPDB995
  Mrv2015 05262116123D          

 23 25  0  0  1  0            999 V2000
    2.2789   -6.5083   -1.1545 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381   -5.6271   -1.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7884   -4.6690   -1.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8642   -5.0595   -0.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5482   -4.0797    0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5036   -4.4357    1.1516 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1705   -2.7217    0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8737   -1.8143    1.0886 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -2.3560   -0.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4383   -3.3491   -1.1517 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5253   -0.9719   -0.5686 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5338   -0.5414   -1.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4097    0.4527   -2.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3415    0.6999   -3.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0956   -0.3501   -4.5173 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6942   -1.0957   -2.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374   -0.9555    0.0627 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4234    0.1242    0.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6213    1.2953   -0.4387 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8178    2.3798   -0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2777    2.3233    0.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5048    1.1395    1.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3437    0.0307    1.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  2  0  0  0  0
  5  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
  3 10  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 12 16  4  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
M  END
$$$$
COVPDB996
  Mrv2015 05262116113D          

 24 26  0  0  1  0            999 V2000
    3.0081    8.1952    5.7589 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5492    6.9353    5.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3563    6.3024    4.5348 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8805    5.0296    4.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5952    4.1978    3.5069 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1425    3.0554    4.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1180    3.1349    5.4211 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    4.3583    5.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7841    5.0076    6.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5372    4.4471    8.0242 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2664    6.2882    6.8995 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7294    4.4839    2.1001 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8751    3.6248    1.3281 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6487    2.8733    0.3835 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1158    1.4210    0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2845    1.4486   -0.0228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0285    0.0339   -0.0144 P   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3079   -0.9531   -1.0218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9646   -0.5958    1.4392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4289    0.2207   -0.4120 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1270    2.9762    0.8168 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0234    2.9262   -0.2932 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1758    4.3134    1.5727 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5359    5.3832    0.6959 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  4  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  2  0  0  0  0
  9 11  4  0  0  0  0
  2 11  4  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 12 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
$$$$
COVPDB997
  Mrv2015 05262116113D          

 23 25  0  0  0  0            999 V2000
   -1.5201    3.0878   -1.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3683    2.2056   -0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345    1.3675    0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483    0.7736    1.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4784    1.2366    1.4609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    2.0799    0.4850 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -0.1677    2.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5165   -1.5989    2.0499 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2230   -2.3594    2.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625   -1.7684    3.9069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2448   -3.7494    3.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2633   -4.4673    3.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9646   -2.1503    0.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0327   -1.5704    0.0998 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6315   -2.1943   -1.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2189   -3.4405   -1.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3448   -3.6569    0.0648 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2582   -1.5671   -1.9264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5554   -2.0785   -2.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304   -1.4173   -3.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0112   -0.2489   -3.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7180    0.2601   -3.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1544   -0.3951   -2.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  2  6  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 13 17  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 18 23  4  0  0  0  0
M  END
$$$$
COVPDB998
  Mrv2015 05262116113D          

 21 22  0  0  0  0            999 V2000
    0.3911   -0.3003   -0.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552   -0.1761    0.3209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5909    0.7857    1.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2041    1.7560    1.2768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5973    0.6879    2.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207   -0.5958    3.0726 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4378   -1.1713    3.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3996   -2.3678    3.9357 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8087   -0.5666    3.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0302    0.6196    4.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8608   -1.2131    3.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0776   -0.6594    3.0201 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2316   -1.3234    3.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9897   -2.5827    3.8932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2548   -2.7897    3.9366 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5195   -0.7475    3.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7234   -1.4998    3.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9694   -0.9193    2.8388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0449    0.4329    2.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8735    1.2054    2.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6304    0.6242    2.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 11 15  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 16 21  4  0  0  0  0
M  END
$$$$
COVPDB999
  Mrv2015 05262116123D          

 19 20  0  0  1  0            999 V2000
   -5.3942   -6.3529   -4.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4461   -6.4147   -3.2499 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2162   -7.7663   -3.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3202   -7.8133   -2.3174 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7949   -6.2427   -1.9778 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1464   -5.1124   -1.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7639   -3.8371   -1.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0866   -2.6682   -1.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7507   -1.3480   -1.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6869   -0.7652   -2.9596 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7629   -2.7713   -0.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1573   -4.0331   -0.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5305   -4.4681   -0.1904 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6808   -6.1768   -0.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069   -6.3620   -1.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8139   -5.2022   -1.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6656   -7.1119   -0.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8514   -8.3800   -0.8022 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5024   -6.7603   -0.1051 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
  6 16  4  0  0  0  0
 12 16  4  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
$$$$
COVPDB99
  Mrv2015 05262115413D          

 42 45  0  0  1  0            999 V2000
    0.5574    1.5199    3.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1723    1.1735    1.7726 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3019   -0.2374    1.3124 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7375   -1.2076    1.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1527   -0.8573    1.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7467   -1.3978    0.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0688   -1.0850    0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8597   -0.2261    0.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2615    0.3246    2.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9033    0.0143    2.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7108   -0.7459    1.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1562   -0.9464    2.5557 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5583   -0.9771    0.3193 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9652   -1.1990    0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6189   -0.9839   -0.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4714   -1.0438   -1.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1719   -0.9610   -1.0657 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1359   -1.9764   -1.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0866   -1.5421   -1.9769 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431   -3.3399   -1.3079 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1630   -4.2283   -0.8163 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5201   -5.5611   -0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7967   -5.4255    1.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2217   -6.7716    1.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2140   -6.6353    2.9180 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8561   -7.5632    3.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1585   -7.2935    4.8673 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2004   -8.6995    3.1422 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1668   -4.5338   -1.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7779   -4.6942   -3.0588 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5532   -4.6209   -1.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5278   -4.4917   -2.5636 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8126   -4.4853   -2.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9499   -4.2805   -2.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2240   -4.2097   -2.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -4.3484   -0.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2386   -4.6122   -0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9821   -4.6545   -0.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3668   -4.8342   -0.0803 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6623   -4.1902   -0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8114   -4.2127    1.0565 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7014   -3.9831   -0.9608 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  5 10  4  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 21 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 33 38  4  0  0  0  0
 38 39  4  0  0  0  0
 31 39  4  0  0  0  0
 36 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
M  END
$$$$
COVPDB9
  Mrv2015 05262115543D          

 27 28  0  0  1  0            999 V2000
    4.0617    7.0531    4.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1569    5.8022    4.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9643    4.5175    3.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1131    3.3801    3.6776 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5599    2.1041    3.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7775    1.8112    3.6129 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5933    1.0209    3.3485 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7339    0.4873    2.0255 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4959    1.1500    2.3072 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3610    0.2137    2.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1394   -0.1457    3.3722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2246   -0.2632    1.1493 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1101    0.0440   -0.2156 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2804   -1.1849   -1.1268 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8232   -1.4069   -1.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3068   -1.1725   -2.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8485   -1.1229   -2.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4211    1.3418   -0.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2394    1.8078   -1.7217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5667    2.0348   -0.3774 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3278    1.7862    0.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3905    2.8956    0.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5451    3.3605   -0.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1716    3.0531   -1.2052 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3262    4.2599   -1.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9292    4.6371   -2.6138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9573    4.9413   -0.3924 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
$$$$
