matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0159.mol

Summary

Maintainability
Test Coverage
mac-x0159
     RDKit          3D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -4.1590   15.4870    1.0300 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2900   15.2490   -0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9210   15.0530    0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1570   15.0530    1.2610 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0270   14.7520    0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1340   14.6900   -0.4610 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1110   14.8360   -0.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6040   14.8610   -2.1080 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8270   14.6060   -3.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3060   15.8360   -3.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9720   16.2990   -3.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0840   17.7090   -4.8760 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   17.6310   -5.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1140   18.5970   -6.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1200   16.6100   -4.7920 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9270   15.0810   -2.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7100   15.2290   -1.2770 N   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
  5  6  1  0
  3  7  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 10 15  1  0
 13 15  2  0
  8 16  1  0
  2 17  1  0
 16 17  2  0
M  END