matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/diamond-x0591_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.8310   14.5730    0.8250 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7360   14.5730    1.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4550   14.8430   -0.6940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2620   14.7340   -0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1300   15.6240   -4.7620 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8430   13.2890   -5.0680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2280   14.7870   -1.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0790   15.1270   -6.1700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5580   15.3930   -2.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6830   15.3610   -3.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4640   14.7160   -3.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1080   14.1260   -2.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9900   14.1750   -1.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690   14.6260   -5.0230 S   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  4  1  0
  4  3  2  0
  4  7  1  0
  7  9  2  0
  7 13  1  0
 14  5  1  1
 14  6  2  0
 14  8  2  0
 14 11  1  0
  9 10  1  0
 13 12  2  0
 10 11  2  0
 11 12  1  0
M  END