24
Caffeine molecule
C      1.2230   -0.0340    0.0000
N      0.0000    0.6750    0.0000
C     -1.2090    0.0000    0.0000
N     -0.7150   -1.3150    0.0000
C      0.6440   -1.3330    0.0000
N      2.4530    0.6750    0.0000
C      2.9440    2.0030    0.0000
O      2.2130    2.9990    0.0000
C      4.3110    2.0530    0.0000
N      4.8200    0.7790    0.0000
C      3.5900   -0.0340    0.0000
O     -2.4300    0.6590    0.0000
H     -1.4900    1.1000    0.0000
H     -2.0000   -0.9500    0.0000
H     -0.5700   -2.3000    0.0000
H      0.6210   -2.3660    0.0000
H      2.2520    1.1000    0.0000
H      4.8000    3.0100    0.0000
H      5.6700    0.7500    0.0000
H      4.0620   -0.9500    0.0000
H      3.8620    3.0000    0.0000
H      1.2230    0.9340    0.0000
H     -0.8200    1.7400    0.0000
H      0.2230    2.3000    0.0000
