matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/diamond-x1012_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -0.6600   18.2180   -4.5700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4730   17.1590   -4.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7010   17.2730   -4.7280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8070   14.6740   -4.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   15.8730   -4.6150 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   11.1860   -2.7790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3880   13.7010   -3.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1210   12.8510   -1.5620 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1120   13.3900   -3.6370 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9220   14.6930   -3.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4910   15.6120   -4.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5580   12.4480   -2.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  5  1  0
  5  4  1  0
  5 11  1  0
  4  7  1  0
  7  9  1  0
 11 10  1  0
  6 12  1  0
 12  8  2  0
  9 12  1  1
  9 10  1  0
M  END