matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10700.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.0480   -1.4110   21.5390 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1060    0.4070   23.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5720    0.6130   20.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3530   -1.1160   22.7480 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3650   -2.3800   22.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4700    1.2430   16.8700 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4530    0.7460   23.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7090   -0.9160   22.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6640   -1.8810   22.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0040   -1.5250   22.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5830   -0.3110   19.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8990    0.9670   17.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -1.5000   20.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2730    1.6410   19.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160   -0.1300   18.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4090    2.6500   23.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9150    1.8080   18.3960 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0820    1.2750   23.3660 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2010   -2.4840   20.8470 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8400   -2.4540   22.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3930   -0.2240   22.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0
  7  2  2  0
  8  4  1  0
  8  2  1  0
  9  8  2  0
 10  9  1  0
 11  3  1  0
 12  6  2  0
 13 11  1  0
 13  1  1  0
 14  3  2  0
 15 12  1  0
 15 11  2  0
 17 14  1  0
 17 12  1  0
 18 16  1  0
 18  2  1  0
 19 13  2  0
 20  5  1  0
 20  4  1  0
 21 10  2  0
 21  7  1  0
M  END