18 lines
1.2 KiB
Plaintext
18 lines
1.2 KiB
Plaintext
15
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Coordinates from ORCA-job orca E -561.457565167897
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N 1.50577669757751 0.61942263928202 -0.14591900098075
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C 1.70464648662690 -0.75411508658341 -0.37877114398560
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N 0.53391292866146 -1.51439910412698 -0.31183788697165
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C 0.32071833014801 1.34281389207693 0.13997747042715
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C -0.80134602220420 0.43147558046281 0.17634610626512
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C -0.68798947791083 -0.94209078835970 -0.04317903716421
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N -2.14734204197090 0.63390836576679 0.40960198615408
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C -2.75036847028740 -0.58795267339734 0.32074699444413
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N -1.89159435860614 -1.57185605874678 0.04614889589746
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H -3.83049294798809 -0.71869873224436 0.46480614528847
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O 2.80166571561155 -1.23391536235720 -0.61702836596874
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O 0.31634793242259 2.55632725928623 0.31908900058111
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H -2.57757950136639 1.53847134911518 0.60805685953489
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H 0.62188687271686 -2.51856243880326 -0.47576857266584
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H 2.36296648106910 1.17764095622908 -0.19403397125563
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