matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0681_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.5020   15.4790   -2.1400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4340   14.8020   -1.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5150   14.4900   -2.5190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4870   14.3420   -0.3200 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5230   13.3620    0.7170 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8330   15.5300    0.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9410   12.5980   -1.2700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2540   15.0450    1.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5070   14.1900    1.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4910   12.4720    0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1320   12.0290   -0.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6220   13.4110   -0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  4  2  1  6
  4  6  1  0
  4 12  1  0
  6  8  1  0
 12  5  1  0
 12  7  2  0
  5  9  1  0
  5 10  1  0
  9  8  1  0
 10 11  2  0
  7 11  1  0
M  END