27 lines
1.8 KiB
Plaintext
27 lines
1.8 KiB
Plaintext
24
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Coordinates from ORCA-job orca E -679.143397131088
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N 1.53369353887679 0.65511634134925 -0.07105127097679
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C 1.70275640118270 -0.74698788754641 -0.13939338377952
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N 0.54179505766970 -1.52684505234477 -0.07699786926370
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C 0.30877433343911 1.37387397726233 0.05362432269104
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C -0.80689810060609 0.46804720183250 0.12242304257863
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C -0.68763625404130 -0.92048852701098 0.05177686464089
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N -2.16923391042274 0.70659955632973 0.23654223856761
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C -2.76413774605564 -0.52311941865884 0.23177566615440
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N -1.90005320521893 -1.53447218402293 0.11877768525338
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C 0.67914475863519 -2.97499258987989 -0.15088643969349
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O 2.81233549674805 -1.25640626169213 -0.24993520220475
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O 0.26255033817591 2.60564213457027 0.09068262924226
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C -2.80308525273799 2.00551688306875 0.38556094111226
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C 2.76882436545409 1.42972618254591 -0.14543144565864
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H -3.85412096161466 -0.63189026452856 0.31205766402536
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H 1.17710684403423 -3.26702846514447 -1.09615426830275
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H -0.33416609641259 -3.41102089956408 -0.10058789033866
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H 1.29878549117599 -3.34827824012339 0.68817795217435
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H -2.36672632219677 2.71910933337295 -0.33698232334947
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H -2.63642360985695 2.41085568972256 1.40385325660749
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H -3.88901179334361 1.89858894442767 0.20651611451605
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H 3.29485120014195 1.22838928838117 -1.09909892656066
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H 3.45003440145441 1.14748135571201 0.68065017406541
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H 2.48944102551915 2.49528290194136 -0.07459953150067
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