[3b722e]: / tests / data / pdb / 4ljh_ligand.sdf

Download this file

29 lines (26 with data), 998 Bytes

     RDKit          3D

 11 12  0  0  0  0  0  0  0  0999 V2000
   17.1490   16.6180   35.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4580   15.3420   35.4700 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9010   14.1450   35.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2670   15.2030   36.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3780   16.1850   36.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1880   15.7440   37.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8310   14.3650   37.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7130   13.3920   36.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9150   13.8400   36.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9520   13.1770   35.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9720   11.7520   35.1930 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  3 10  2  0
  4  5  2  0
  4  9  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
M  END