matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0139.mol

Summary

Maintainability
Test Coverage
mac-x0139
     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.2300   15.1570   -3.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0580   15.0860   -2.3820 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310   14.9750   -2.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3710   13.6080   -3.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8530   12.4130   -2.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   12.7110   -1.8790 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7570   11.2110   -3.1160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   15.0900   -1.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0810   15.0640   -0.3150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0910   15.0470    0.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1790   15.0780    1.6290 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500   15.1240    0.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5600   15.1670    1.4440 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3840   15.2210    0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7260   15.1970   -0.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3920   15.1290   -0.3750 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  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
  8 16  1  0
 12 16  2  0
 15 16  1  0
M  END