matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10906.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 22 25  0  0  0  0  0  0  0  0999 V2000
    8.4550    0.9300   21.0760 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1270   -0.2550   21.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500   -1.2150   22.1800 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1360   -1.5560   21.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310   -0.7380   22.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6550   -0.8790   24.2130 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3470   -0.5950   23.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3660   -0.4880   24.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1400    0.0800   25.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8910    0.5920   26.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0890   -0.0780   23.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8880    0.5190   25.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3330    1.2260   25.4370 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4510   -0.8480   20.0980 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6890   -0.3900   19.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7370    0.5940   19.2350 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4560    1.0160   17.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1430    0.3500   17.0890 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9220   -0.5640   17.7860 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750    1.0040   20.4950 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8370    1.8270   20.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1150    2.4390   20.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  6
  4  3  1  0
  5  4  1  0
  6  5  1  0
  7  3  1  0
  8  7  2  0
  8  6  1  0
  9  8  1  0
 10  9  2  0
 11  7  1  0
 12 11  2  0
 12 10  1  0
 13 12  1  0
 14  2  1  0
 15 14  1  0
 16 15  1  0
 17 16  1  0
 18 17  2  0
 19 18  1  0
 19 15  2  0
 20 16  1  6
 21 20  1  0
 22 21  1  0
 22 20  1  0
M  END