diff options
Diffstat (limited to 'Docking/Ligands/ZINC000000006787.sdf')
| -rwxr-xr-x | Docking/Ligands/ZINC000000006787.sdf | 47 |
1 files changed, 47 insertions, 0 deletions
diff --git a/Docking/Ligands/ZINC000000006787.sdf b/Docking/Ligands/ZINC000000006787.sdf new file mode 100755 index 0000000..fbdced1 --- /dev/null +++ b/Docking/Ligands/ZINC000000006787.sdf @@ -0,0 +1,47 @@ + + RDKit 3D + + 17 18 0 0 0 0 0 0 0 0999 V2000 + 5.7538 0.7271 -0.3387 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.4210 0.4446 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6399 1.2963 0.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4437 0.8217 1.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0298 -0.4849 0.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5992 -0.7346 1.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.2000 -1.1075 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5640 -0.5698 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6691 -1.4101 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9223 -0.8567 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0704 -1.5823 -0.3863 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0464 0.4687 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9831 1.3313 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1123 2.6366 0.5408 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7777 0.7687 -0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.6454 -1.1284 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.8126 -0.6206 -0.7281 C 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 2 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 + 10 12 2 0 + 12 13 1 0 + 13 14 1 0 + 13 15 2 0 + 5 16 1 0 + 16 17 2 0 + 17 2 1 0 + 15 8 1 0 +M END +> <zinc_id> (1) +ZINC000000006787 + +> <smiles> (1) +Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 + +$$$$ |