diff options
Diffstat (limited to 'Docking/Ligands/ZINC000019418959.sdf')
| -rwxr-xr-x | Docking/Ligands/ZINC000019418959.sdf | 71 |
1 files changed, 71 insertions, 0 deletions
diff --git a/Docking/Ligands/ZINC000019418959.sdf b/Docking/Ligands/ZINC000019418959.sdf new file mode 100755 index 0000000..d94e287 --- /dev/null +++ b/Docking/Ligands/ZINC000019418959.sdf @@ -0,0 +1,71 @@ + + RDKit 3D + + 28 31 0 0 0 0 0 0 0 0999 V2000 + 6.6231 -0.9086 0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.2113 -0.4216 -0.2985 N 0 0 0 0 0 0 0 0 0 0 0 0 + 5.4610 0.8081 -0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0074 0.5646 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.3559 -0.3330 -0.7821 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.6067 -1.3124 -0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2812 -0.7748 0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.6293 0.1122 -0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5122 0.7862 -0.0094 N 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8861 2.0645 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.2041 2.6334 -1.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.9282 3.5640 -2.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1401 4.0729 -1.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4591 3.8488 -0.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6864 2.9524 0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4021 2.3724 1.7347 S 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1820 0.5898 1.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0194 -0.1893 2.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2777 -1.5097 2.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7103 -2.0503 0.9612 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4512 -3.0230 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0895 -4.3261 0.3627 F 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8259 -2.9380 0.3073 F 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2607 -2.7913 -1.2383 F 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5805 -1.3783 0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.3728 -0.0296 0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2806 -0.9403 -1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.5320 -1.4430 -1.0511 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 + 21 22 1 0 + 21 23 1 0 + 21 24 1 0 + 20 25 1 0 + 25 26 2 0 + 5 27 1 0 + 27 28 1 0 + 28 2 1 0 + 26 9 1 0 + 15 10 1 0 + 26 17 1 0 +M END +> <zinc_id> (1) +ZINC000019418959 + +> <smiles> (1) +CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 + +$$$$ |