matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0115.mol

Summary

Maintainability
Test Coverage
mac-x0115
     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.5490   18.4690   -5.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   17.5770   -5.5420 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0250   18.1860   -5.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3990   16.3150   -4.9060 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7420   15.5480   -4.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2730   14.3670   -3.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0120   14.6410   -2.4840 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3580   14.9280   -1.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310   15.0100   -0.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4990   14.8030    0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6590   14.8440    1.4830 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7910   14.5950   -0.1410 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0540   14.4980   -1.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   14.2120   -1.9870 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9490   15.2240   -0.4700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5350   15.3160   -1.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5620   15.1280   -2.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  7 13  1  0
 12 13  1  0
 13 14  2  0
  9 15  1  0
 15 16  1  0
  8 17  1  0
 16 17  2  0
M  END