matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0131.mol

Summary

Maintainability
Test Coverage
mac-x0131
     RDKit          3D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -3.6680   15.0920   -4.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0470   15.0790   -2.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7120   15.1480   -1.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2100   15.3150   -1.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7050   15.0910   -0.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5850   15.1190    0.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7620   15.2580    1.6150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3910   15.0280    1.3730 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3130   14.9330    0.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3680   14.8600   -0.6710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5390   14.9470   -1.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7580   14.9550   -2.5820 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6850   14.8180   -3.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4200   13.3420   -3.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7670   12.6300   -3.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3970   11.3130   -4.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9930   11.2660   -4.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4370   12.5320   -3.9670 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
  5 11  1  0
 10 11  2  0
  2 12  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 14 18  1  0
 17 18  1  0
M  END