matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0224.mol

Summary

Maintainability
Test Coverage
mac-x0224
     RDKit          3D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.0990   15.1060    1.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3020   15.0940    1.1750 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9840   15.0350   -0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9020   15.2010   -1.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4980   15.0760   -2.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1550   14.7550   -3.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6400   14.5970   -4.3840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2870   14.6040   -2.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7100   14.6860   -0.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1530   14.2450   -2.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   14.0470   -1.4890 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5130   14.2340   -3.4950 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  3  9  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
M  END