matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/diamond-x0142_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
   14.7820    6.9580   12.1250 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3370   12.1910   15.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6190   11.9740   14.3510 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3090   10.7550   13.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9170    5.1490   10.7890 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8180    7.2390    9.8430 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6970   10.5530   12.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8750    2.6250    7.4560 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5200    9.3110   11.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9320    8.2740   12.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8200    6.5110   10.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9500    4.3300    9.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7140    2.9750    9.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6820    2.1730    8.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1310    3.9310    7.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1790    4.8190    8.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5260    8.4920   13.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7150    9.7260   14.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0
  1 11  1  0
 10  9  2  0
 10 17  1  0
 11  5  1  0
 11  6  2  0
  2  3  1  0
  3  4  1  0
  4  7  2  0
  4 18  1  0
  7  9  1  0
 18 17  2  0
  5 12  1  0
 12 13  2  0
 12 16  1  0
  8 14  2  0
  8 15  1  0
 14 13  1  0
 15 16  2  0
M  END