matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/mac-x0343.mol

Summary

Maintainability
Test Coverage
mac-x0343
     RDKit          3D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.4700   40.3750    4.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2390   39.0450    3.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900   37.9550    4.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1060   38.1270    5.9780 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3370   39.4840    6.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3850   40.4680    5.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310   37.2850    6.5120 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8270   36.6560    7.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150   35.5640    8.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7170   35.9200    8.9020 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7030   36.4840    7.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0630   37.6810    7.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  1  6  1  0
  5  6  1  0
  7  4  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  7 12  1  0
 11 12  1  0
M  END