matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/diamond-x0729_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
   20.2560   27.3500    7.5360 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.2450   25.6580    5.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9800   26.7650    8.2180 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8600   27.0670    6.1300 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.1610   27.4240    2.7380 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.2800   28.3950    9.5240 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8440   25.8870    9.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7060   27.5270    7.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2400   28.6570    6.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9520   28.4030    5.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4550   28.1590    5.2110 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.2630   27.7450    3.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2280   27.1810    8.7760 S   0  0  2  0  0  0  0  0  0  0  0  0
  1  4  1  0
  1  8  1  0
  1 13  1  0
  4  2  1  6
  4 11  1  0
  8  9  1  0
 13  3  2  0
 13  6  2  0
 13  7  1  1
 11 10  1  0
 11 12  1  6
  5 12  3  0
  9 10  1  0
M  END