HEADER    CAFFEINE
REMARK    COPYRIGHT 1996 BY JAMES P. BIRK
ATOM      1  C           1      -1.799   0.022   0.602
ATOM      2  N           1      -1.586  -0.945  -0.363
ATOM      3  C           1      -2.731  -1.654  -0.954
ATOM      4  C           1      -0.301  -1.248  -0.776
ATOM      5  C           1       0.789  -0.574  -0.214
ATOM      6  C           1       0.563   0.404   0.763
ATOM      7  N           1      -0.728   0.694   1.163
ATOM      8  C           1      -0.964   1.720   2.189
ATOM      9  N           1       1.752   0.896   1.139
ATOM     10  C           1       2.729   0.287   0.454
ATOM     11  N           1       2.158  -0.638  -0.400
ATOM     12  C           1       2.871  -1.524  -1.331
ATOM     13  O           1      -0.101  -2.186  -1.712
ATOM     14  O           1      -3.048   0.309   0.996
ATOM     15  H           1       3.786   0.485   0.553
ATOM     16  H           1      -2.947  -2.544  -0.368
ATOM     17  H           1      -2.491  -1.941  -1.976
ATOM     18  H           1      -3.601  -1.000  -0.955
ATOM     19  H           1      -1.088   2.689   1.711
ATOM     20  H           1      -0.114   1.756   2.868
ATOM     21  H           1      -1.864   1.473   2.748
ATOM     22  H           1       2.981  -1.026  -2.293
ATOM     23  H           1       2.305  -2.444  -1.462
ATOM     24  H           1       3.855  -1.757  -0.929
CONECT    1    2    7   14    0
CONECT    2    3    4    0    0
CONECT    3   16   17   18    0
CONECT    4    5   13    0    0
CONECT    5    6   11    0    0
CONECT    6    7    9    0    0
CONECT    7    8    0    0    0
CONECT    8   19   20   21    0
CONECT    9   10    0    0    0
CONECT   10   11   15    0    0
CONECT   11   12    0    0    0
CONECT   12   22   23   24    0
END