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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 1.06814007280221 0.06987026850103 0.02179803932415 |
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H 2.15030026068978 0.06987112958641 0.02179749602221 |
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H 0.70742370687918 -0.64615150469397 0.74861807400167 |
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H 0.70741898627439 -0.20156341603182 -0.96170330012855 |
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H 0.70741697335444 1.05732352263836 0.27847969078052
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