matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0748.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
   13.9690   -1.6460   21.4250 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1020   -2.4020   23.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9110   -2.0880   22.4610 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0890   -1.2980   21.5350 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9400   -1.5930   20.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4170   -0.8130   19.4410 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750   -2.9120   19.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2260   -1.3930   22.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3240   -0.3890   23.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5410    0.2200   23.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6740   -0.1530   23.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5670   -1.1450   22.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3650   -1.7590   22.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0
 12 11  1  0
 12 13  2  0
  3  2  1  1
  3  4  1  0
  3  8  1  0
  4  5  1  0
  8  9  2  0
  8 13  1  0
  5  6  2  0
  5  7  1  0
  9 10  1  0
 10 11  2  0
M  END