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https://gitlab.com/scemama/QCaml.git
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27 lines
1.1 KiB
Plaintext
27 lines
1.1 KiB
Plaintext
24
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Caffeine
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1 -3.3804130 -1.1272367 0.5733036
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7 0.9668296 -1.0737425 -0.8198227
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6 0.0567293 0.8527195 0.3923156
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N -1.3751742 -1.0212243 -0.0570552
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C -1.2615018 0.2590713 0.5234135
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C -0.3068337 -1.6836331 -0.7169344
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C 1.1394235 0.1874122 -0.2700900
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N 0.5602627 2.0839095 0.8251589
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O -0.4926797 -2.8180554 -1.2094732
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C -2.6328073 -1.7303959 -0.0060953
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O -2.2301338 0.7988624 1.0899730
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H 2.5496990 2.9734977 0.6229590
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C 2.0527432 -1.7360887 -1.4931279
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H -2.4807715 -2.7269528 0.4882631
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H -3.0089039 -1.9025254 -1.0498023
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H 2.9176101 -1.8481516 -0.7857866
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H 2.3787863 -1.1211917 -2.3743655
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H 1.7189877 -2.7489920 -1.8439205
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C -0.1518450 3.0970046 1.5348347
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C 1.8934096 2.1181245 0.4193193
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N 2.2861252 0.9968439 -0.2440298
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H -0.1687028 4.0436553 0.9301094
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H 0.3535322 3.2979060 2.5177747
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H -1.2074498 2.7537592 1.7203047
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