matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0471_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -8.7810   13.9780    2.7690 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1550   13.5930    5.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2050   16.0600    3.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8740   14.3350    5.1890 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2190   14.8490   -0.4570 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5780   15.4750    6.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3700   14.6380    1.5950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9650   14.8750    3.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8600   14.3420    1.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4780   14.6130    0.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8370   15.0340   -0.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0000   15.3020   -1.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6430   15.4630   -1.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1230   15.3550   -0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9470   15.0760    1.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3010   14.9140    0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0
  1  9  1  0
  8  3  2  0
  8  4  1  0
  9 10  1  0
  4  2  1  1
  4  6  1  0
  5 10  2  0
  5 11  1  0
 10  7  1  0
 11 12  2  0
 11 16  1  0
  7 16  1  0
 16 15  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
M  END