matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0722_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.5010   14.8780    2.0250 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8120   15.5740    2.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1010   15.2400   -0.9550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6770   15.1570    1.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   14.6600    0.9710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2660   14.3920    1.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9500   13.5130   -0.0750 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3180   14.7670   -0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150   14.5140   -1.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6310   15.0990    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7300   15.4370   -0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0300   14.7130   -0.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0
  1  5  1  0
  4  2  1  0
  4 10  1  0
  5  6  1  0
  5  8  1  0
  3 12  2  0
 12  7  1  0
 12 11  1  0
 10  8  2  0
 10 11  1  0
  8  9  1  0
M  END