matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0582.mol

Summary

Maintainability
Test Coverage
mac-x0582
     RDKit          3D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -6.1350   42.2350   -8.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0530   43.3060   -8.0420 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5090   44.6750   -7.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3780   44.8270   -8.2390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2550   45.9810   -7.5390 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5210   46.1780   -6.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9670   46.3910   -6.2860 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.4540   46.8480   -6.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3860   47.1780   -8.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2720   46.1450   -8.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4060   42.8770   -7.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9090   41.6100   -7.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1630   41.5680   -7.5030 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4400   42.7780   -6.9190 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3910   43.5630   -7.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  5  3  1  1
  5  6  1  0
  5  7  1  0
  7  6  1  6
  7  8  1  0
  8  9  1  0
  5 10  1  0
  9 10  1  0
  2 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 11 15  2  0
 14 15  1  0
M  END