matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x1494.mol

Summary

Maintainability
Test Coverage
mac-x1494
     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.0200   14.5480   -4.6180 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   29.5270   53.7470    4.9460 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0560   14.8050   -3.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2130   52.4720    3.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3250   15.1620   -3.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1160   52.2870    2.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2270   15.4130   -2.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8900   51.2840    1.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7700   15.3340   -1.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7500   50.5040    1.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4160   15.5030    0.0100 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2350   49.4460    1.1830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4280   15.2470    1.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0560   48.9750    1.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5310   15.2790    2.2490 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4090   48.0900    1.3700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150   14.9430    0.3620 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.7950   49.7600    2.9280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4230   14.9820   -1.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8660   50.7080    3.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5380   14.6900   -2.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0880   51.7240    3.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0
  2  4  1  0
  3  5  2  0
  4  6  1  0
  5  7  1  0
  6  8  1  0
  7  9  2  0
  8 10  1  0
  9 11  1  0
 10 12  1  0
 11 13  1  0
 12 14  1  0
 13 15  2  0
 14 16  1  0
 13 17  1  0
 14 18  1  0
  9 19  1  0
 17 19  1  0
 10 20  1  0
 18 20  1  0
  3 21  1  0
 19 21  2  0
  4 22  1  0
 20 22  1  0
M  END