matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11011.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
   10.4270    0.7730   22.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2680    0.5680   17.3890 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5670   -0.9160   22.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1220    1.0140   19.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7770    0.3180   23.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5120    1.3200   21.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2470   -0.4470   22.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6770    1.6940   18.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9880   -0.8080   21.7830 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7430   -0.6540   20.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2880    1.1830   20.9380 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1620    0.0840   19.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0810    0.0020   21.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6770   -0.0980   18.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6930    1.1570   23.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3240   -1.3070   22.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2800    1.4540   17.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8650   -2.0690   22.5630 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  5  3  1  0
  6  4  1  0
  7  1  2  0
  8  4  1  0
  9  7  1  0
 12  4  2  0
 12 10  1  0
 13 11  2  0
 13 10  1  0
 13  9  1  0
 14 12  1  0
 14  2  2  0
 15  1  1  0
 15  5  2  0
 16  7  1  0
 16  3  2  0
 17  8  2  0
 17  2  1  0
 18  3  1  0
M  END