matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0588.mol

Summary

Maintainability
Test Coverage
mac-x0588
     RDKit          3D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -4.3570   15.3630    1.1220 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4820   15.2140    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0630   15.0680    0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090   15.0220    1.3740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0730   14.8140    0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0280   14.7810   -0.3660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2830   14.9260   -0.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690   14.9640   -2.0680 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8810   14.8260   -3.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2850   16.1530   -3.6940 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4470   16.9800   -4.3390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9340   17.8850   -5.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5590   17.5340   -5.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6620   16.1730   -4.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0670   15.1340   -2.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9300   15.2520   -1.1890 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
  3  7  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
 10  9  1  6
 10 11  1  0
 11 12  1  0
 12 13  1  0
 10 14  1  0
 13 14  1  0
  8 15  1  0
  2 16  1  0
 15 16  2  0
M  END