matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0548_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -8.6260   41.5120   -7.8480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4650   46.9830   -4.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3330   45.8680   -5.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9000   44.8470   -5.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8750   44.1230   -7.7610 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7720   43.7670   -5.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4400   42.6010   -6.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2260   42.5420   -7.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4030   41.9300   -8.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1940   43.2360   -7.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1340   44.1590   -8.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0630   43.0120   -8.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1480   45.3660   -7.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3430   43.6380   -7.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6950   44.8050   -6.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0
  1  9  1  0
  8  7  2  0
  8 14  1  0
  9 10  2  0
  2  3  1  0
  3  4  1  0
  4  6  2  0
  4 15  1  0
  6  7  1  0
 15 14  2  0
  5 11  1  0
  5 12  1  0
  5 13  1  0
 11 10  1  0
 14 10  1  0
M  END