matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0814_B.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 14 14  0  0  0  0  0  0  0  0999 V2000
   12.9840   12.4750   12.5500 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0060   13.1320   13.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4060   14.0400   13.5800 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0860   13.4640   12.7120 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1810   14.1720   11.3630 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5930   11.9510   12.5590 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8330   13.5800   11.3710 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6770   15.7690   11.8400 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2830   12.1950   10.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1140   11.2180   10.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3670   11.1230   12.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7410   11.8310   14.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9400   14.6000   11.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5740   12.6430   13.3320 S   0  0  1  0  0  0  0  0  0  0  0  0
  1  4  1  0
  1 11  1  0
  1 14  1  0
  4  2  1  1
  4  7  1  0
 11 10  1  0
 14  3  2  0
 14  6  2  0
 14 12  1  1
  7  9  1  0
  7 13  1  1
  5 13  1  0
 13  8  2  0
  9 10  1  0
M  END