matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0737_B.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
   15.6300   15.9720   11.7320 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6050   17.0200   11.9680 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1430   14.3030   11.6370 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9760   14.6900   11.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9790   12.5440   12.5930 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3170   14.0490   13.5840 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8290   13.7120   11.4730 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7240   11.8340   14.5790 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3230   12.3460   10.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1810   11.3430   10.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3900   11.2060   12.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0530   13.5420   12.7950 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.9440   13.1990   13.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3640   11.9610   12.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5890   12.6570   13.4150 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
  7  4  1  1
  7  9  1  0
  7 12  1  0
  5 11  1  0
  5 12  1  0
  5 15  1  0
 11 10  1  0
 12 13  1  1
 15  6  2  0
 15  8  2  0
 15 14  1  6
  9 10  1  0
M  END