matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/mac-x0212.mol

Summary

Maintainability
Test Coverage
mac-x0212
     RDKit          3D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -6.5720   12.8250    1.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9640   14.5840    0.9280 S   0  0  2  0  0  0  0  0  0  0  0  0
   -7.7890   15.0190    2.0260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5380   14.7550   -0.3410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5570   15.4920    0.9730 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5680   15.2250   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8790   15.5370   -1.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9590   15.2390   -2.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7400   14.7180   -2.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4420   14.4400   -0.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3480   14.6650    0.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   14.3590   -3.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6540   13.8250   -2.8400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0480   14.5110   -4.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  6 11  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
M  END