matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/mac-x0380.mol

Summary

Maintainability
Test Coverage
mac-x0380
     RDKit          3D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.4470   14.7600   -2.7100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6720   15.0210   -2.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2260   15.2410   -3.8580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5120   15.0520   -1.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8460   15.0520   -0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5920   15.0620    0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9850   15.0730    0.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7800   15.0830    2.1300 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1840   14.5370    2.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7560   14.5400    3.2330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6830   14.0030    0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4050   15.0760   -0.4150 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6560   15.0810   -0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9030   15.0650   -1.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
  7 13  1  0
 12 13  1  0
  4 14  1  0
 13 14  2  0
M  END