matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0496_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
    4.7610   40.7630   -0.8300 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0810   42.1860    0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8140   36.3150    1.4850 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6650   36.9270   -1.3740 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4670   41.9660    0.8700 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7910   39.5650    0.9970 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3590   43.1830    0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7240   37.1300    1.8410 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0620   40.6860    0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2230   39.6020   -1.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0060   38.3850   -0.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2650   38.4130    0.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9540   37.1880    1.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0
  1 10  1  0
  9  5  1  0
  9  6  1  0
 10 11  2  0
  5  2  1  6
  5  7  1  0
  3 13  2  0
 13  8  1  0
 13 12  1  0
  4 11  1  0
 11 12  1  0
  6 12  2  0
M  END