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/Users/makardorohuntsev/Docking_project/data/datasets/rdock_3PTB_10k_pubchem/target/reference_ligand_raw.pdb
 OpenBabel05042610253D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.8530   14.3110   16.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1070   15.6530   16.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7740   16.3410   17.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   15.6620   19.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9140   14.2950   18.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2570   13.6340   17.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1930   13.6270   15.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7970   14.2350   14.4910 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7620   12.3910   15.3090 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
$$$$