| /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 | |
| $$$$ | |