diff options
Diffstat (limited to 'Docking/Ligands/ZINC000019796018.sdf')
| -rwxr-xr-x | Docking/Ligands/ZINC000019796018.sdf | 65 |
1 files changed, 65 insertions, 0 deletions
diff --git a/Docking/Ligands/ZINC000019796018.sdf b/Docking/Ligands/ZINC000019796018.sdf new file mode 100755 index 0000000..a96dfbd --- /dev/null +++ b/Docking/Ligands/ZINC000019796018.sdf @@ -0,0 +1,65 @@ + + RDKit 3D + + 25 28 0 0 0 0 0 0 0 0999 V2000 + 6.9545 0.2635 -0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6142 0.4845 -0.6721 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8045 0.9814 0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.3278 0.8739 0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.9120 -0.4807 -0.1244 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.8729 -0.4151 -1.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7701 0.4559 -0.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.2090 -0.3268 0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2428 -0.3110 0.4564 N 0 0 0 0 0 0 0 0 0 0 0 0 + -1.8478 -1.5224 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0656 -2.6596 -0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6533 -3.8874 -0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9981 -4.0745 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7189 -3.0029 0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1803 -1.7549 0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2789 -0.3533 0.4157 S 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2491 1.0577 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8116 2.3012 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0777 3.4240 0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7136 3.3137 0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.6339 4.6967 0.2101 Cl 0 0 0 0 0 0 0 0 0 0 0 0 + -1.1433 2.0619 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9017 0.8976 0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.9972 -1.3508 -0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0544 -0.6727 -1.3217 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 1 0 + 6 7 1 0 + 7 8 1 0 + 8 9 1 0 + 9 10 1 0 + 10 11 2 0 + 11 12 1 0 + 12 13 2 0 + 13 14 1 0 + 14 15 2 0 + 15 16 1 0 + 16 17 1 0 + 17 18 2 0 + 18 19 1 0 + 19 20 2 0 + 20 21 1 0 + 20 22 1 0 + 22 23 2 0 + 5 24 1 0 + 24 25 1 0 + 25 2 1 0 + 23 9 1 0 + 15 10 1 0 + 23 17 1 0 +M END +> <zinc_id> (1) +ZINC000019796018 + +> <smiles> (1) +CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 + +$$$$ |