matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0180.mol

Summary

Maintainability
Test Coverage
mac-x0180
     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -8.0540   14.6060    1.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8880   14.7750    0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1050   14.8900   -0.8890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5430   14.8520    0.7020 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3780   14.9850   -0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5120   15.0390   -1.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4330   15.1040   -2.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1520   15.1380   -1.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9970   15.0850   -0.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0980   15.0020    0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9430   15.1830   -2.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0890   15.1700   -3.9960 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800   15.1710   -2.2270 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  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