matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0091_B.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
   12.8390   21.0330   13.7490 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3680   21.8060   14.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8300   16.9640   15.5100 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3530   19.6650   13.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7280   17.6860   14.9940 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1960   20.8050   11.9370 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2470   18.6850   14.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1230   22.7930   12.9670 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6510   18.6670   14.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9580   17.5830   15.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2320   16.9350   15.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7470   21.5110   12.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1540   23.4040   12.1350 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.5720   23.1870   12.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9450   24.5150   12.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  4  1  0
  1 12  1  0
  4  7  1  0
 12  6  2  0
 12  8  1  0
  3  5  1  0
  3 10  1  0
  5  7  2  0
 10  9  2  0
 10 11  1  0
  7  9  1  0
 13  8  1  1
 13 14  1  0
 13 15  1  0
 14 15  1  0
M  END