matteoferla/Fragmenstein

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fragmenstein/demo/test_mols/x0032_0A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 17 19  0  0  0  0  0  0  0  0999 V2000
    6.9470   18.6960   -0.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9650   17.1960   -0.9620 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0800   16.8190   -2.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2420   15.3690   -2.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6540   15.0700   -2.8260 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8460   13.7480   -3.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6590   14.0480   -4.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0200   14.1520   -4.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3810   14.5520   -5.9870 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2490   14.7660   -6.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1050   15.1920   -8.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8220   15.3340   -8.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7070   15.0340   -7.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8480   14.6150   -6.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1390   14.4710   -5.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4340   15.2290   -1.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3850   16.6780   -1.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  3  2  1  0
  4  3  1  0
  5  4  1  0
  6  5  1  0
  7  6  1  0
  8  7  2  0
  9  8  1  0
 10  9  1  0
 11 10  2  0
 12 11  1  0
 13 12  2  0
 14 13  1  0
 15 14  2  0
 15 10  1  0
 15  7  1  0
 16  5  1  0
 17 16  1  0
 17  2  1  0
M  END