matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0188.mol

Summary

Maintainability
Test Coverage
mac-x0188
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.3510   13.0880   -4.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0510   13.4520   -4.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0700   13.5100   -5.2800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500   13.8420   -4.6520 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8320   14.1350   -3.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4640   13.8590   -3.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4730   14.0190   -2.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160   15.1570   -1.9000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7930   13.0060   -1.4980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7880   14.6480   -2.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9810   15.1460   -2.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8820   15.6140   -1.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5240   15.5880   -0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3220   15.0540   -0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4360   14.5960   -1.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  2  6  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  5 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 10 15  1  0
 14 15  2  0
M  END