matteoferla/Fragmenstein

View on GitHub
fragmenstein/demo/mac1_mols/mac-x0337.mol

Summary

Maintainability
Test Coverage
mac-x0337
     RDKit          3D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.7480    9.2040   -1.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2300   10.6170   -1.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9710   11.4550   -0.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5220   12.7320   -0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3400   13.1670   -1.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6010   12.3390   -2.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0480   11.0580   -2.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7950   14.8550   -0.9000 S   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2850   15.4860   -2.1000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7010   14.8820    0.0650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1450   15.6610   -0.2800 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  2  7  1  0
  6  7  2  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  1
M  END