matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0178.mol

Summary

Maintainability
Test Coverage
mac-x0178
     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.5440   18.0320   -6.5450 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7330   17.2300   -5.7220 S   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7000   16.8640   -6.6460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2780   18.1210   -4.7330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290   15.8680   -4.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6380   14.6670   -4.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1600   13.6040   -4.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0410   13.8100   -3.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   15.0480   -3.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690   16.1150   -4.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5200   12.7040   -2.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2450   12.9620   -1.6100 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2080   11.5840   -2.9350 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  5 10  1  0
  9 10  2  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
M  END