diff options
Diffstat (limited to 'hacks/images/molecules/vx.pdb')
| -rw-r--r-- | hacks/images/molecules/vx.pdb | 92 |
1 files changed, 92 insertions, 0 deletions
diff --git a/hacks/images/molecules/vx.pdb b/hacks/images/molecules/vx.pdb new file mode 100644 index 0000000..8b653cb --- /dev/null +++ b/hacks/images/molecules/vx.pdb @@ -0,0 +1,92 @@ +HEADER VX: a chemical warfare agent, cholinesterase inhibitor +COMPND VX +AUTHOR Created by Dave Woodcock at Okanagan University College +AUTHOR email:woodcock@okanagan.bc.ca +AUTHOR Date revised: Fri Sep 1 09:41:05 2000 GENERATED BY BABEL 1.6 +HETATM 1 C 1 0.000 0.000 0.000 1.00 0.00 +HETATM 2 C 1 1.541 0.000 0.000 1.00 0.00 +HETATM 3 O 1 2.000 1.333 0.000 1.00 0.00 +HETATM 4 P 1 3.580 1.768 -0.723 1.00 0.00 +HETATM 5 O 1 3.908 3.507 -0.453 1.00 0.00 +HETATM 6 C 1 3.536 1.434 -2.522 1.00 0.00 +HETATM 7 S 1 5.089 0.633 0.149 1.00 0.00 +HETATM 8 C 1 6.652 1.113 -0.581 1.00 0.00 +HETATM 9 C 1 7.173 2.394 0.105 1.00 0.00 +HETATM 10 N 1 8.475 2.827 -0.436 1.00 0.00 +HETATM 11 C 1 9.247 3.677 0.492 1.00 0.00 +HETATM 12 C 1 9.948 2.776 1.531 1.00 0.00 +HETATM 13 C 1 8.388 4.729 1.230 1.00 0.00 +HETATM 14 C 1 8.465 3.210 -1.863 1.00 0.00 +HETATM 15 C 1 9.881 3.493 -2.414 1.00 0.00 +HETATM 16 C 1 7.562 4.422 -2.181 1.00 0.00 +HETATM 17 H 1 -0.362 0.520 0.887 1.00 0.00 +HETATM 18 H 1 -0.367 -1.026 0.006 1.00 0.00 +HETATM 19 H 1 -0.363 0.510 -0.892 1.00 0.00 +HETATM 20 H 1 1.902 -0.524 -0.885 1.00 0.00 +HETATM 21 H 1 1.904 -0.507 0.894 1.00 0.00 +HETATM 22 H 1 2.728 2.007 -2.976 1.00 0.00 +HETATM 23 H 1 3.367 0.370 -2.691 1.00 0.00 +HETATM 24 H 1 4.485 1.727 -2.970 1.00 0.00 +HETATM 25 H 1 6.489 1.278 -1.644 1.00 0.00 +HETATM 26 H 1 7.377 0.311 -0.444 1.00 0.00 +HETATM 27 H 1 7.282 2.161 1.162 1.00 0.00 +HETATM 28 H 1 6.438 3.191 0.006 1.00 0.00 +HETATM 29 H 1 10.030 4.205 -0.044 1.00 0.00 +HETATM 30 H 1 10.539 2.021 1.012 1.00 0.00 +HETATM 31 H 1 9.216 2.282 2.169 1.00 0.00 +HETATM 32 H 1 10.608 3.383 2.151 1.00 0.00 +HETATM 33 H 1 9.041 5.368 1.825 1.00 0.00 +HETATM 34 H 1 7.675 4.243 1.895 1.00 0.00 +HETATM 35 H 1 7.847 5.345 0.515 1.00 0.00 +HETATM 36 H 1 8.094 2.362 -2.434 1.00 0.00 +HETATM 37 H 1 10.574 2.735 -2.048 1.00 0.00 +HETATM 38 H 1 10.223 4.483 -2.116 1.00 0.00 +HETATM 39 H 1 9.853 3.454 -3.503 1.00 0.00 +HETATM 40 H 1 7.928 5.308 -1.665 1.00 0.00 +HETATM 41 H 1 6.533 4.222 -1.886 1.00 0.00 +HETATM 42 H 1 7.584 4.609 -3.255 1.00 0.00 +CONECT 1 2 17 18 19 +CONECT 2 1 3 20 21 +CONECT 3 2 4 +CONECT 4 3 5 6 7 +CONECT 4 5 +CONECT 5 4 +CONECT 6 4 22 23 24 +CONECT 7 4 8 +CONECT 8 7 9 25 26 +CONECT 9 8 10 27 28 +CONECT 10 9 11 14 +CONECT 11 10 12 13 29 +CONECT 12 11 30 31 32 +CONECT 13 11 33 34 35 +CONECT 14 10 15 16 36 +CONECT 15 14 37 38 39 +CONECT 16 14 40 41 42 +CONECT 17 1 +CONECT 18 1 +CONECT 19 1 +CONECT 20 2 +CONECT 21 2 +CONECT 22 6 +CONECT 23 6 +CONECT 24 6 +CONECT 25 8 +CONECT 26 8 +CONECT 27 9 +CONECT 28 9 +CONECT 29 11 +CONECT 30 12 +CONECT 31 12 +CONECT 32 12 +CONECT 33 13 +CONECT 34 13 +CONECT 35 13 +CONECT 36 14 +CONECT 37 15 +CONECT 38 15 +CONECT 39 15 +CONECT 40 16 +CONECT 41 16 +CONECT 42 16 +MASTER 0 0 0 0 0 0 0 0 42 0 42 0 +END |