matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/mac-x0302.mol

Summary

Maintainability
Test Coverage
mac-x0302
     RDKit          3D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.4480   14.2390   -3.6260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4670   14.1000   -2.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6110   13.6170   -1.8270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9420   14.5920   -3.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8030   14.6610   -2.2810 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1150   15.1460   -2.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5070   15.4410   -3.4420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9650   15.1360   -1.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3630   15.1420    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1290   15.0980    1.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5320   15.0580    1.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1120   15.0490   -0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4250   14.9610   -0.3560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3660   15.0850   -1.3230 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  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
  8 14  1  0
 12 14  2  0
M  END