matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0379.mol

Summary

Maintainability
Test Coverage
mac-x0379
     RDKit          3D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -5.4630   15.1820    0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3480   15.1600   -0.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5830   15.1480   -2.2000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5090   15.1050   -2.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2920   15.0450   -2.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6830   15.0830   -0.6530 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9730   15.0100   -3.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9990   14.7780   -4.3190 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1120   15.2440   -2.5050 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
  4  5  2  0
  2  6  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
M  END