diff options
Diffstat (limited to 'Docking/Ligands/ZINC000001543873.sdf')
| -rwxr-xr-x | Docking/Ligands/ZINC000001543873.sdf | 50 |
1 files changed, 50 insertions, 0 deletions
diff --git a/Docking/Ligands/ZINC000001543873.sdf b/Docking/Ligands/ZINC000001543873.sdf new file mode 100755 index 0000000..6033b7f --- /dev/null +++ b/Docking/Ligands/ZINC000001543873.sdf @@ -0,0 +1,50 @@ + + RDKit 3D + + 19 19 0 0 0 0 0 0 0 0999 V2000 + 6.2486 0.8957 0.5234 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.1868 0.5734 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.8330 0.7556 0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.5041 -0.3370 1.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0452 -0.6683 1.5936 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.1794 0.1595 0.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0614 -0.4688 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.3407 -0.8413 -1.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.3492 0.1705 -0.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.8828 0.8211 -1.5889 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1121 0.0886 0.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5377 0.2305 0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2254 0.7269 -0.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.5048 0.2915 -0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.0120 -0.8443 -0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.5067 -1.0982 1.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2067 -0.7160 1.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.2516 0.0223 -1.3814 N 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3681 0.2384 -2.0968 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 2 0 + 2 3 1 0 + 3 4 1 0 + 4 5 1 0 + 5 6 1 0 + 6 7 1 0 + 7 8 1 0 + 8 9 1 0 + 9 10 2 0 + 9 11 1 0 + 11 12 1 0 + 12 13 2 0 + 13 14 1 0 + 14 15 2 0 + 15 16 1 0 + 16 17 2 0 + 2 18 1 0 + 18 19 1 0 + 17 12 1 0 +M END +> <zinc_id> (1) +ZINC000001543873 + +> <smiles> (1) +O=C(CCCCCCC(=O)Nc1ccccc1)NO + +$$$$ |