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HEADER Sarin: S Enantiomer, a chemical warfare agent
COMPND al3023
AUTHOR Created by Dave Woodcock at Okanagan University College
AUTHOR email:woodcock@okanagan.bc.ca
AUTHOR Date revised: Wed Aug 30 12:33:12 2000 GENERATED BY BABEL 1.6
HETATM 1 P 1 0.000 0.000 0.000 1.00 0.00
HETATM 2 F 1 1.779 0.000 0.000 1.00 0.00
HETATM 3 C 1 -0.611 1.725 0.000 1.00 0.00
HETATM 4 O 1 -0.599 -0.840 1.463 1.00 0.00
HETATM 5 O 1 -0.599 -0.841 -1.466 1.00 0.00
HETATM 6 C 1 -1.898 -1.369 -1.304 1.00 0.00
HETATM 7 C 1 -1.817 -2.772 -0.672 1.00 0.00
HETATM 8 C 1 -2.555 -1.476 -2.694 1.00 0.00
HETATM 9 H 1 -0.248 2.240 -0.890 1.00 0.00
HETATM 10 H 1 -0.248 2.239 0.891 1.00 0.00
HETATM 11 H 1 -1.701 1.724 0.000 1.00 0.00
HETATM 12 H 1 -2.510 -0.718 -0.679 1.00 0.00
HETATM 13 H 1 -1.372 -2.712 0.320 1.00 0.00
HETATM 14 H 1 -1.203 -3.414 -1.303 1.00 0.00
HETATM 15 H 1 -2.818 -3.194 -0.591 1.00 0.00
HETATM 16 H 1 -1.961 -2.124 -3.339 1.00 0.00
HETATM 17 H 1 -3.561 -1.885 -2.595 1.00 0.00
HETATM 18 H 1 -2.613 -0.482 -3.136 1.00 0.00
CONECT 1 2 3 4 4 5
CONECT 2 1
CONECT 3 1 9 10 11
CONECT 4 1 1
CONECT 5 1 6
CONECT 6 5 7 8 12
CONECT 7 6 13 14 15
CONECT 8 6 16 17 18
CONECT 9 3
CONECT 10 3
CONECT 11 3
CONECT 12 6
CONECT 13 7
CONECT 14 7
CONECT 15 7
CONECT 16 8
CONECT 17 8
CONECT 18 8
MASTER 0 0 0 0 0 0 0 0 18 0 18 0
END
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