matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0584.mol

Summary

Maintainability
Test Coverage
mac-x0584
     RDKit          3D

 18 21  0  0  0  0  0  0  0  0999 V2000
    0.8850   11.3140   -4.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4320   12.0280   -3.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3550   13.1990   -3.2770 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5270   12.6870   -4.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2240   14.6530   -3.4010 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6470   15.0440   -4.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9560   15.2060   -4.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5380   15.0870   -3.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2900   14.8300   -2.6640 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3050   14.9220   -1.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2040   14.8050   -0.6750 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1260   14.8750    0.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1550   15.0650    1.4010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3440   15.1540    0.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5810   15.3040    1.3470 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5020   15.4350    0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8700   15.2760   -0.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4890   15.1090   -0.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  6
  1  4  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  5  9  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 10 18  1  0
 14 18  2  0
 17 18  1  0
M  END