21 lines
1.4 KiB
Plaintext
21 lines
1.4 KiB
Plaintext
18
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Coordinates from ORCA-job orca E -600.684383676337
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N 1.52972356809668 0.64363171324510 -0.26585163091034
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C 1.69964303838664 -0.75403854713619 -0.44057753659255
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N 0.53679413672653 -1.51418157765442 -0.30751880321997
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C 0.32014041226135 1.33914566631936 0.02448245502561
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C -0.79260662958838 0.42869169345212 0.13312440995909
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C -0.68324520512699 -0.94924262739151 -0.02966476266690
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N -2.13203111202062 0.64065104409515 0.39608906513058
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C -2.73390477975091 -0.58553209681167 0.37804039960944
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N -1.88086932760558 -1.57944050309496 0.12106708576156
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H -3.80896081611217 -0.71154851101395 0.55915048226001
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O 2.78046092733851 -1.27104009602269 -0.68994617151460
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O 0.29137160631347 2.56117776365553 0.15452931804370
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H -2.55685020996535 1.55317341857226 0.56728616702006
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C 2.72074894545558 1.47938466592540 -0.39335108362608
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H 3.57577356689772 0.81676839470749 -0.60785854074120
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H 2.58346580976717 2.21586866899486 -1.20908122194629
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H 2.89002415489480 2.04522726567191 0.54342870368584
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H 0.63733148613157 -2.52253210381378 -0.43430068977795
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