matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/mac-x0123.mol

Summary

Maintainability
Test Coverage
mac-x0123
     RDKit          3D

 13 15  0  0  0  0  0  0  0  0999 V2000
   -3.7550   14.8310    1.8620 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7590   14.7450    0.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0650   14.6210    1.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7460   14.5460    2.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0830   13.9900    2.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3380   14.4550    0.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0070   14.5510    0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6960   14.5750   -1.1320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3620   14.6650   -1.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7290   14.7370   -2.6330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4020   14.8330   -2.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2080   14.8480   -1.0660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4360   14.7870   -0.4830 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  1  0
  5  6  1  0
  3  7  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  2 13  1  0
  9 13  1  0
 12 13  1  0
M  END