matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-7cx9.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 12 13  0  0  0  0  0  0  0  0999 V2000
    9.4050   -4.1880   20.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3260   -3.8850   20.9670 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6340   -3.6650   21.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8610   -3.9340   20.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0140   -3.3880   21.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9560   -2.5720   22.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6840   -2.3180   22.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5320   -2.8650   22.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4240   -2.4740   22.8480 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9130   -1.6660   23.8690 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2210   -1.6030   23.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3560   -0.4530   25.1830 I   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  1  1  0
  4  3  2  0
  5  4  1  0
  6  5  2  0
  7  6  1  0
  8  3  1  0
  8  7  2  0
  9  8  1  0
 10  9  1  0
 11 10  2  0
 11  7  1  0
 12 11  1  0
M  END