matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0371_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -8.2600   14.3580    2.9620 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8550   15.3730    3.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5320   16.2150    3.0030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3660   14.1990    1.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9210   14.6510    1.5000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9520   14.4460    5.6460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0820   14.5610    0.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9900   14.8090   -0.4470 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0060   14.9720    0.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6260   15.1330    0.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9370   15.3550   -0.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6070   15.4370   -1.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9840   15.3050   -1.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6640   15.0660   -0.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6890   15.4230    5.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1610   16.2740    5.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7110   15.7940    7.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9970   14.7050    6.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  4  1  0
  2  3  2  0
  2 15  1  0
  4  7  1  0
 15  6  1  0
 15 16  2  0
  7  5  2  0
  7  8  1  0
  5  9  1  0
  9 10  2  0
  9 14  1  0
  6 18  1  0
 18 17  2  0
  8 14  1  0
 14 13  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 16 17  1  0
M  END