matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mpro_mols/Mpro-x10812.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 12 13  0  0  0  0  0  0  0  0999 V2000
    5.6700   -3.3810   23.5200 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9110   -4.1250   22.3470 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1970   -5.3630   22.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1530   -4.9730   19.5630 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3090   -2.1700   23.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -4.1250   24.3070 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4850   -2.4140   21.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8150   -3.6080   21.4030 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2300   -1.7050   22.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9670   -4.2410   20.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5560   -5.3140   23.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2240   -3.8220   18.9240 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  2  3  1  1
  1  5  1  1
  6  1  1  0
  8  7  1  0
  8  2  1  0
  9  7  1  0
  9  5  1  0
  8 10  1  6
 10  4  1  0
 11  6  1  0
 11  3  1  0
 10 12  1  0
M  END