matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0334_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.0160   24.7090   16.7450 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7090   22.9530   16.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4670   24.4320   16.7460 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0760   26.1380   15.9110 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1630   25.2610   17.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6210   26.0550   16.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1200   26.1630   16.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4870   25.9570   14.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1070   25.9400   14.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6920   26.1360   16.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0490   26.3600   17.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3330   26.3820   17.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   26.3200   17.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7480   25.8640   14.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0
  1  6  1  0
  3  2  1  1
  3  5  1  0
  6  7  1  0
  4 10  1  0
  4 13  1  0
  4 14  1  0
 10  9  2  0
 10 11  1  0
  7  8  2  0
  7 12  1  0
  8  9  1  0
 12 11  2  0
M  END