COMPND    CAFFEINE
ATOM      1  C           1       0.310   0.025   0.266  1.00  0.00
ATOM      2  C           1      -0.355  -0.629  -0.740  1.00  0.00
ATOM      3  N           1      -1.534  -0.232  -1.149  1.00  0.00
ATOM      4  C           1      -2.095   0.808  -0.593  1.00  0.00
ATOM      5  O           1      -3.292   1.264  -0.962  1.00  0.00
ATOM      6  N           1      -1.526   1.518   0.400  1.00  0.00
ATOM      7  C           1      -0.290   1.173   0.891  1.00  0.00
ATOM      8  O           1       0.424   1.795   1.899  1.00  0.00
ATOM      9  N           1       1.511  -0.630   0.462  1.00  0.00
ATOM     10  N           1       0.452  -1.702  -1.166  1.00  0.00
ATOM     11  C           1       1.576  -1.721  -0.459  1.00  0.00
ATOM     12  C           1       2.551  -0.269   1.449  1.00  0.00
ATOM     13  C           1      -2.221  -0.940  -2.216  1.00  0.00
ATOM     14  C           1      -2.053   2.626   1.037  1.00  0.00
ATOM     15  H           1       2.320  -2.480  -0.649  1.00  0.00
ATOM     16  H           1       2.130  -0.317   2.454  1.00  0.00
ATOM     17  H           1       2.904   0.743   1.252  1.00  0.00
ATOM     18  H           1       3.384  -0.966   1.371  1.00  0.00
ATOM     19  H           1      -2.386  -1.976  -1.917  1.00  0.00
ATOM     20  H           1      -1.612  -0.915  -3.119  1.00  0.00
ATOM     21  H           1      -3.180  -0.461  -2.411  1.00  0.00
ATOM     22  H           1      -2.998   2.357   1.509  1.00  0.00
ATOM     23  H           1      -2.224   3.417   0.307  1.00  0.00
ATOM     24  H           1      -1.354   2.975   1.796  1.00  0.00
TER      25              1
END