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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
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