matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0158_B.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 14 14  0  0  0  0  0  0  0  0999 V2000
   14.4090   13.1100   13.1730 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3640   17.7400   11.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9050   15.9680   11.7480 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1770   17.3850   11.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9840   15.5710   13.9620 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8090   15.1930   12.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9970   11.1530   14.8640 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4720   13.7780   12.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8860   11.8430   12.5040 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1950   13.9260   13.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1380   13.4050   14.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1660   10.9570   13.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0790   11.8200   12.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6300   11.7750   13.7330 S   0  0  1  0  0  0  0  0  0  0  0  0
  1  8  1  0
  1 10  1  0
  1 13  1  0
  8  6  1  0
 10 11  1  0
 13 12  1  0
  2  4  1  0
  4  3  1  0
  3  6  1  0
  6  5  2  0
  7 14  2  0
 14  9  2  0
 14 11  1  1
 14 12  1  0
M  END