matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/mac-x0381.mol

Summary

Maintainability
Test Coverage
mac-x0381
     RDKit          3D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -7.9420   13.1270    4.0400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1060   14.5470    3.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1590   15.3410    4.3890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4500   15.1670    3.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6090   14.9680    4.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7950   15.4810    3.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9230   16.2000    2.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2100   16.6910    2.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3690   17.3890    1.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2250   17.6040    0.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9730   17.1150    0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8080   16.3810    1.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5450   15.8600    2.1960 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  7 12  1  0
 11 12  1  0
  4 13  1  0
 12 13  2  0
M  END