matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0469_B.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.5480   40.3970    6.1490 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3210   38.8360    4.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0260   37.5950    5.1010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7640   37.4220    5.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3380   35.1060    7.9990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6890   38.2540    5.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7270   35.6290    6.8790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4850   38.0960    6.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3160   39.0170    5.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3580   37.0710    6.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4070   36.2000    7.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0690   34.7730    8.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6290   36.3860    6.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8380   34.3460    6.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0
  9  8  1  0
  2  3  1  0
  3  4  1  0
  4  6  2  0
  4 13  1  0
  6  8  1  0
 13  7  1  0
 13 11  2  0
  5 11  1  0
  5 12  1  0
 11 10  1  0
  8 10  2  0
  7 14  1  0
M  END