matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10474.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
    9.6230    0.9960   21.0670 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1040    0.0010   21.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6590   -0.6500   22.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8440   -1.5810   22.5160 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9530   -2.6280   23.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1620   -0.7720   22.3100 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3480   -1.6350   21.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5130    0.0860   23.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9850   -0.5710   21.0730 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1520   -0.0250   20.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9310    0.5950   20.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5330    0.8210   21.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1230    1.0530   19.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5510    0.9260   18.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7160    0.3680   17.7280 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4920   -0.1020   18.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  1  0
  4  5  1  1
  6  4  1  0
  6  7  1  1
  8  6  1  0
  9  2  1  0
 10  9  1  0
 11 10  2  0
 12 11  1  0
 13 11  1  0
 14 13  2  0
 15 14  1  0
 16 15  2  0
 16 10  1  0
M  END