matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10419.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.6750    1.0560   16.9850 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0370    0.7540   17.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750   -0.4230   18.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0940    1.6160   18.4900 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4280    1.4360   19.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130    0.3060   20.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0660    0.1480   21.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1160    1.0660   22.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    2.1500   21.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4650    2.3520   20.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6590   -0.6650   19.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8440   -1.9850   20.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2410   -2.9620   20.1830 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7090   -2.0960   21.6740 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8810   -3.3540   22.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5620   -0.9860   22.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9850   -1.2010   21.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7540   -1.2590   22.8700 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0350   -0.7890   22.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2460    0.4970   23.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1190    1.1370   23.7980 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2770    2.3590   24.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0920   -1.4940   22.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3510   -0.9230   22.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5660    0.3280   22.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5220    1.0410   23.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  2  1  0
  5  4  1  0
  6  5  2  0
  7  6  1  0
  8  7  2  0
  9  8  1  0
 10  9  2  0
 10  5  1  0
 11  6  1  0
 11  3  2  0
 12 11  1  0
 13 12  2  0
 14 12  1  0
 15 14  1  0
 16 14  1  0
 17 16  1  0
 18 17  1  0
 19 18  1  0
 20 19  2  0
 21 20  1  0
 22 21  1  0
 23 19  1  0
 24 23  2  0
 25 24  1  0
 26 25  2  0
 26 20  1  0
M  END