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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