matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11488.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
   13.7880   -1.8590   21.3950 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.6500   -0.8620   22.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0940    0.2920   22.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1630    1.1200   23.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8190    0.7790   23.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3180   -1.2200   22.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3830   -0.3870   22.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8930   -0.7000   22.7530 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1600   -0.2620   24.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4650    0.7130   24.0990 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4310   -1.0880   25.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0090   -0.6650   26.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3220    0.0500   21.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8340    1.0780   21.0990 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2280   -0.5140   20.9810 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5280    0.0810   19.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750    0.8460   20.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220    1.0250   21.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7790    1.4780   19.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3240    1.3330   17.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4190    0.6020   17.5490 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010   -0.0080   18.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4  3  1  0
  5  4  2  0
  6  2  1  0
  7  5  1  0
  7  6  2  0
  8  7  1  0
  8  9  1  1
 10  9  2  0
 11  9  1  0
 12 11  1  0
 13  8  1  0
 14 13  2  0
 15 13  1  0
 16 15  1  0
 17 16  2  0
 18 17  1  0
 19 17  1  0
 20 19  2  0
 21 20  1  0
 22 21  2  0
 22 16  1  0
M  END