matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0444.mol

Summary

Maintainability
Test Coverage
mac-x0444
     RDKit          3D

 12 13  0  0  0  0  0  0  0  0999 V2000
   19.4670   28.5860    4.6290 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.2940   27.6920    3.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5120   27.9360    2.7430 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8600   26.4480    4.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0980   25.7920    5.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6010   24.6580    6.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8610   24.1930    5.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6380   24.8520    4.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8890   24.6070    4.3980 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2100   25.5060    3.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1480   26.3830    3.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1470   25.9650    4.2550 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  1  0
  9 10  1  0
 10 11  2  0
  4 12  1  0
  8 12  2  0
 11 12  1  0
M  END