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HEADER Caffeine: Trimethylxanthine; a cardiac stimulant and diuretic
AUTHOR Created by Dave Woodcock at Okanagan University College
AUTHOR email:woodcock@okanagan.bc.ca
AUTHOR Date revised: Fri Sep 29 14:53:27 2000 GENERATED BY BABEL 1.6
HETATM 1 C 1 0.000 0.000 0.000 1.00 0.00
HETATM 2 C 1 1.392 0.000 0.000 1.00 0.00
HETATM 3 N 1 2.076 1.164 0.000 1.00 0.00
HETATM 4 C 1 1.373 2.321 -0.003 1.00 0.00
HETATM 5 O 1 1.978 3.365 -0.017 1.00 0.00
HETATM 6 N 1 0.017 2.344 0.003 1.00 0.00
HETATM 7 C 1 -0.710 1.202 0.002 1.00 0.00
HETATM 8 O 1 -1.915 1.218 -0.006 1.00 0.00
HETATM 9 N 1 -0.404 -1.287 -0.019 1.00 0.00
HETATM 10 N 1 1.830 -1.279 -0.020 1.00 0.00
HETATM 11 C 1 0.715 -2.048 -0.031 1.00 0.00
HETATM 12 C 1 -1.795 -1.761 -0.044 1.00 0.00
HETATM 13 C 1 3.546 1.178 -0.016 1.00 0.00
HETATM 14 C 1 -0.690 3.634 -0.013 1.00 0.00
HETATM 15 H 1 0.720 -3.138 -0.055 1.00 0.00
HETATM 16 H 1 -1.813 -2.850 -0.090 1.00 0.00
HETATM 17 H 1 -2.307 -1.428 0.860 1.00 0.00
HETATM 18 H 1 -2.302 -1.352 -0.918 1.00 0.00
HETATM 19 H 1 3.894 1.455 -1.011 1.00 0.00
HETATM 20 H 1 3.929 0.190 0.239 1.00 0.00
HETATM 21 H 1 3.911 1.904 0.710 1.00 0.00
HETATM 22 H 1 -1.557 3.583 0.645 1.00 0.00
HETATM 23 H 1 -0.027 4.428 0.329 1.00 0.00
HETATM 24 H 1 -1.020 3.851 -1.029 1.00 0.00
CONECT 1 2 2 7 9
CONECT 2 1 1 3 10
CONECT 3 2 4 13
CONECT 4 3 5 5 6
CONECT 5 4 4
CONECT 6 4 7 14
CONECT 7 1 6 8 8
CONECT 8 7 7
CONECT 9 1 11 12
CONECT 10 2 11 11
CONECT 11 9 10 10 15
CONECT 12 9 16 17 18
CONECT 13 3 19 20 21
CONECT 14 6 22 23 24
CONECT 15 11
CONECT 16 12
CONECT 17 12
CONECT 18 12
CONECT 19 13
CONECT 20 13
CONECT 21 13
CONECT 22 14
CONECT 23 14
CONECT 24 14
MASTER 0 0 0 0 0 0 0 0 24 0 24 0
END
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