24 lines
1.6 KiB
Plaintext
24 lines
1.6 KiB
Plaintext
21
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Coordinates from ORCA-job orca E -639.913333498444
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N 1.53518609486235 0.65918779618706 -0.09216142797091
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C 1.70235084033904 -0.74445879713575 -0.13237093172491
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N 0.53888106131474 -1.52362537472368 -0.07460802348456
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C 0.31000408407286 1.38242021808886 0.00229668729535
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C -0.80549581079436 0.47512250732749 0.05367045431934
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C -0.69114322318324 -0.91318134576800 0.01770972011977
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N -2.16362264309105 0.71170772742445 0.14708818575291
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C -2.77479914961248 -0.50871555876673 0.16181304823778
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N -1.91022523231234 -1.52129006854116 0.08455662716693
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C 0.67775798510526 -2.97311787320878 -0.11319687908872
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O 2.81236579515058 -1.25778318053111 -0.21361289780108
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O 0.25637901219100 2.61158446166206 0.03277498777849
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H 2.49286079715969 2.49789341356693 -0.10611890574404
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C 2.77282854266931 1.43104662126030 -0.15235703413642
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H -3.86485962733603 -0.61602804644343 0.23049912286897
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H 1.18447195040929 -3.28717462040437 -1.04672574057382
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H -0.33539642437866 -3.40933123221254 -0.06202747449844
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H 1.29010450781251 -3.32543325474389 0.74005027804209
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H 3.31954782976527 1.21221291939805 -1.09032000194668
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H 3.43506905093241 1.16361262867999 0.69385925859155
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H -2.59251693257615 1.63717086288424 0.19353287809640
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