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17 lines
1.0 KiB
17 lines
1.0 KiB
15 |
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Coordinates from ORCA-job cmmd |
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C 1.25435919537090 -0.08737739876512 0.24715524632648 |
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C 0.33042466881332 -1.22501927170804 -0.18159328410705 |
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C -1.08847928950794 -0.68049957284919 0.04680580985473 |
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C -0.94892173529753 0.85162652438004 0.13256689033968 |
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C 0.50655312120543 1.15147170068949 -0.23414885516456 |
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H 2.25151196078735 -0.17354879054452 -0.18267911191086 |
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H 1.34538795520408 -0.06644782326499 1.33445026657908 |
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H 0.51329912580071 -2.14206529372394 0.37692286104836 |
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H 0.48494562341946 -1.43748420682295 -1.24052779233776 |
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H -1.50657437511684 -1.07619744223052 0.97224888296167 |
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H -1.75259393059400 -0.97399011796120 -0.76548462512947 |
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H -1.14846207491294 1.19019262513953 1.14983951261691 |
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H -1.64603424175245 1.36210030835772 -0.53068454217281 |
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H 0.86868596585501 2.06998188715470 0.22590214224166 |
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H 0.61118803072543 1.24402687214901 -1.31645340114607
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