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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 1.04434135305002 0.08211146154040 0.03592999467599 |
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H 2.12650178753787 0.08211981567066 0.03593006450254 |
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H 0.68362549970396 -0.51434769249601 0.86369257686113 |
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H 0.68362543813495 -0.33652506555091 -0.89449887927247 |
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H 0.68361592157322 1.09720148083585 0.13859624323281
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