matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11271.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.6590    0.4760   20.9290 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0260   -0.5590   21.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4850   -1.5920   22.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7580   -1.0970   22.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9850   -1.3950   22.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1390   -0.8970   22.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6700   -1.3400   22.0600 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1170   -0.0980   23.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7130   -0.3090   23.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    0.1700   24.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9930    0.8180   25.6740 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8130    0.9720   26.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8630   -0.8610   20.5250 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2520   -0.0570   19.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1550    0.7530   19.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6340    0.8360   21.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6130    1.5480   18.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1770    1.5340   17.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2360    0.7810   17.3000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7530   -0.0070   18.2480 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
  5  4  2  0
  6  5  1  0
  7  6  1  0
  8  6  2  0
  9  4  1  0
 10  9  2  0
 10  8  1  0
 11 10  1  0
 12 11  1  0
 13  2  1  0
 14 13  1  0
 15 14  2  0
 16 15  1  0
 17 15  1  0
 18 17  2  0
 19 18  1  0
 20 19  2  0
 20 14  1  0
M  END