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7 lines
368 B
7 lines
368 B
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Coordinates from ORCA-job cmmd |
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C 1.04227269060310 -0.05468719364080 -0.07226703535934 |
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H 2.12443335379334 -0.05468200026993 -0.07226820060049 |
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H 0.68155725235486 -0.64740982631557 0.75817547407569 |
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H 0.68155300087124 -0.47750805702477 -1.00079985809395 |
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H 0.68155370237746 0.96085707725107 0.02582961997808
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