matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/mac-x0319.mol

Summary

Maintainability
Test Coverage
mac-x0319
     RDKit          3D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.8150   10.5940   -2.7060 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0190   11.8070   -2.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0780   12.5580   -1.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310   12.3460   -4.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5610   13.6780   -4.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310   13.7790   -4.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4300   15.0320   -4.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6200   16.1550   -4.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7720   16.0180   -4.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6770   17.0590   -4.3230 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3600   14.7950   -4.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  5 11  1  0
  9 11  2  0
M  END