matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10559.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 17 19  0  0  0  0  0  0  0  0999 V2000
    9.1390    1.1260   21.0330 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5830    0.1560   21.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0860   -0.4980   22.7900 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3220    0.1540   23.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1830   -0.8390   22.6580 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3120   -1.3480   23.4020 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5070   -0.4730   23.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6030   -1.6610   22.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9540   -1.7710   22.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4670   -0.4000   21.0210 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7370    0.1290   19.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5410    0.8280   20.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0360    1.0750   21.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1940    0.0190   18.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5590    0.5610   17.5840 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4140    1.2060   17.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8710    1.3520   19.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  6
  4  3  1  0
  5  4  1  1
  6  5  1  0
  6  7  1  1
  8  7  1  0
  8  6  1  0
  9  3  1  0
  9  5  1  0
 10  2  1  0
 11 10  1  0
 12 11  2  0
 13 12  1  0
 14 11  1  0
 15 14  2  0
 16 15  1  0
 17 16  2  0
 17 12  1  0
M  END