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