data/1of6_ligand.sdf

DTY
     RDKit          3D

 13 13  0  0  1  0  0  0  0  0999 V2000
   30.6770   -3.3700   50.5160 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.3780   -3.1310   49.2550 C   0  0  2  0  0  0  0  0  0  0  0  0
   31.9670   -4.4050   48.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0170   -5.4920   49.3380 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4890   -2.1160   49.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0300   -0.7150   49.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2930   -0.2240   51.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3170    0.0570   48.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8570    1.0320   51.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9070    1.3420   49.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2050    1.8270   50.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8150    2.9790   50.9180 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.3720   -4.3160   47.5370 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  2  5  1  0
  3  4  2  0
  3 13  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  7  9  1  0
  8 10  2  0
  9 11  2  0
 10 11  1  0
 11 12  1  0
M  END