diff options
Diffstat (limited to 'Docking/Ligands/ZINC000001530741.sdf')
| -rwxr-xr-x | Docking/Ligands/ZINC000001530741.sdf | 54 |
1 files changed, 54 insertions, 0 deletions
diff --git a/Docking/Ligands/ZINC000001530741.sdf b/Docking/Ligands/ZINC000001530741.sdf new file mode 100755 index 0000000..0de530b --- /dev/null +++ b/Docking/Ligands/ZINC000001530741.sdf @@ -0,0 +1,54 @@ + + RDKit 3D + + 20 22 0 0 0 0 0 0 0 0999 V2000 + 3.8635 -1.1253 1.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.4467 -1.0708 0.1865 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4283 -1.2063 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.1236 -0.7707 -0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.1681 -0.2730 -1.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.0369 0.0629 -0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.2023 1.4481 -0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8732 2.2286 -0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8770 3.5289 -0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.3306 4.1187 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2938 3.2840 0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2093 1.9153 0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4045 1.1770 0.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0044 -0.0830 1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7362 -1.1123 0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3376 -2.3334 0.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3407 -3.2837 -0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5345 -3.2016 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5732 -2.1977 -1.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.7766 -1.1059 -0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 + 2 3 1 0 + 3 4 1 0 + 4 5 1 0 + 5 6 2 3 + 6 7 1 0 + 7 8 2 0 + 8 9 1 0 + 9 10 2 0 + 10 11 1 0 + 11 12 2 0 + 12 13 1 0 + 13 14 1 0 + 14 15 1 0 + 15 16 2 0 + 16 17 1 0 + 17 18 2 0 + 18 19 1 0 + 19 20 2 0 + 20 6 1 0 + 12 7 1 0 + 20 15 1 0 +M END +> <zinc_id> (1) +ZINC000001530741 + +> <smiles> (1) +CNCCC=C1c2ccccc2CCc2ccccc21 + +$$$$ |