matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0301.mol

Summary

Maintainability
Test Coverage
mac-x0301
     RDKit          3D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.5370   14.6700   -3.2050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6890   14.6060   -3.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2040   14.2940   -4.4030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5570   14.8920   -2.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8600   15.3160   -2.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6410   15.5860   -1.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1200   15.4290    0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8060   15.0040    0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0660   14.7240    1.4610 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2630   14.6080    1.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310   14.3060   -0.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0330   14.7260   -0.7830 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  1  0
  4 12  1  0
  8 12  2  0
 11 12  1  0
M  END