diff options
Diffstat (limited to 'Docking/Ligands/ZINC000003008621.sdf')
| -rwxr-xr-x | Docking/Ligands/ZINC000003008621.sdf | 31 |
1 files changed, 31 insertions, 0 deletions
diff --git a/Docking/Ligands/ZINC000003008621.sdf b/Docking/Ligands/ZINC000003008621.sdf new file mode 100755 index 0000000..19ca088 --- /dev/null +++ b/Docking/Ligands/ZINC000003008621.sdf @@ -0,0 +1,31 @@ + + RDKit 3D + + 10 9 0 0 0 0 0 0 0 0999 V2000 + -2.8552 -2.2338 0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.3982 -1.8030 0.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.3716 -0.3439 0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.1282 0.1542 -0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0795 -0.6554 -0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0164 -0.3884 0.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4227 -0.7802 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0197 1.6113 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.4775 2.1654 0.7977 O 0 0 0 0 0 0 0 0 0 0 0 0 + -0.3077 2.2739 -1.4244 O 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 1 0 + 6 7 1 0 + 4 8 1 0 + 8 9 2 0 + 8 10 1 0 +M END +> <zinc_id> (1) +ZINC000003008621 + +> <smiles> (1) +CCCC(CCC)C(=O)O + +$$$$ |