matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0309.mol

Summary

Maintainability
Test Coverage
mac-x0309
     RDKit          3D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6020   13.9410   19.5790 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7570   13.7360   19.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7660   13.9670   18.6520 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1020   13.5110   19.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4090   13.5170   18.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4730   13.0570   19.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2260   12.6060   20.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9250   12.6110   21.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8610   13.0530   20.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3870   13.1720   20.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7910   12.9200   21.8330 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  4  9  1  0
  8  9  2  0
  2 10  1  0
  9 10  1  0
 10 11  2  0
M  END