matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10178.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
   14.4760   -2.0930   20.5250 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7510   -1.5330   21.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7940   -0.8500   22.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1710    0.1690   22.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2980    0.8690   23.6400 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9940    0.5780   23.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4400   -1.1460   21.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5120   -0.4040   22.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1560   -0.6130   22.2970 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4480    0.0500   21.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500    1.0680   20.8080 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1010   -0.5620   21.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4490    0.1220   19.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9220   -0.0680   18.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3980    0.5160   17.4850 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3510    1.3320   17.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8040    1.5920   18.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3630    0.9720   20.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0
  3  2  1  0
  4  3  2  0
  5  4  1  0
  6  5  2  0
  7  3  1  0
  8  7  2  0
  8  6  1  0
  9  8  1  0
 10  9  1  0
 11 10  2  0
 12 10  1  0
 13 12  1  0
 14 13  2  0
 15 14  1  0
 16 15  2  0
 17 16  1  0
 18 17  2  0
 18 13  1  0
M  END