matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/test_mols/x0103_0A.mol

Summary

Maintainability
Test Coverage
x0103_0A
     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
   16.0570   11.3720   -1.1240 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7390   12.2950   -0.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6280   13.0180    0.3730 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0280   12.8970    0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6330   13.0000    1.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0120   12.9250    1.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7880   12.7990    0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1930   12.7530   -0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8120   12.8180   -0.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4490   12.7090   -0.1650 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2430   12.1430   -0.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1280   12.9630   -0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8960   12.4880   -0.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8070   11.1970   -1.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8620   10.3740   -1.4710 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0560   10.8450   -1.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  1  0
  5  4  4  0
  6  5  4  0
  7  6  4  0
  8  7  4  0
  9  8  4  0
  9  4  4  0
 10  2  1  0
 11 10  1  0
 12 11  4  0
 13 12  4  0
 14 13  4  0
 15 14  4  0
 16 15  4  0
 16 11  4  0
M  END