19 lines
1.2 KiB
Plaintext
19 lines
1.2 KiB
Plaintext
16
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Coordinates from ORCA-job orca E -495.115813588581
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O -2.90110691358288 -0.51692524513647 0.01487714510160
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C -1.55444495863094 -0.41713073524318 0.01862222818609
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C -0.74605385640593 -1.56141653848424 0.11089568445253
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C 0.64789311555723 -1.42923171983446 0.11230324636711
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C 1.24683706783291 -0.15758661282749 0.02178019192549
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C 2.71511196888306 -0.01105724076911 0.02323121468780
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O 3.31193163080971 1.05395852612019 -0.05086868468876
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C 0.43478533455484 0.99810785586346 -0.07137203165564
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C -0.94836719363195 0.87104497376792 -0.07311181285260
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O -1.84721429500887 1.90254343805105 -0.15810858198826
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H -3.25041345042826 0.39719223248884 -0.05596891561040
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H -1.23616101145949 -2.54307310312085 0.18049269339309
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H 1.28763932187855 -2.32317047791563 0.18446284524380
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H 3.27607572363994 -0.99223740387371 0.10107983105660
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H 0.93388681028429 1.97875718005558 -0.14108629423268
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H -1.37040029429222 2.75022587085810 -0.21722775938579
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