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Caffeine
H -3.3804130 -1.1272367 0.5733036
N 0.9668296 -1.0737425 -0.8198227
C 0.0567293 0.8527195 0.3923156
N -1.3751742 -1.0212243 -0.0570552
C -1.2615018 0.2590713 0.5234135
C -0.3068337 -1.6836331 -0.7169344
C 1.1394235 0.1874122 -0.2700900
N 0.5602627 2.0839095 0.8251589
O -0.4926797 -2.8180554 -1.2094732
C -2.6328073 -1.7303959 -0.0060953
O -2.2301338 0.7988624 1.0899730
H 2.5496990 2.9734977 0.6229590
C 2.0527432 -1.7360887 -1.4931279
H -2.4807715 -2.7269528 0.4882631
H -3.0089039 -1.9025254 -1.0498023
H 2.9176101 -1.8481516 -0.7857866
H 2.3787863 -1.1211917 -2.3743655
H 1.7189877 -2.7489920 -1.8439205
C -0.1518450 3.0970046 1.5348347
C 1.8934096 2.1181245 0.4193193
N 2.2861252 0.9968439 -0.2440298
H -0.1687028 4.0436553 0.9301094
H 0.3535322 3.2979060 2.5177747
H -1.2074498 2.7537592 1.7203047
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