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21 lines
861 B
21 lines
861 B
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Coordinates from ORCA-job cmmd E -4.174962243010 |
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C 1.044340 0.082110 0.035930 |
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H 2.136540 0.082120 0.035930 |
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H 0.680280 -0.519880 0.871370 |
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H 0.680280 -0.340410 -0.903130 |
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H 0.680270 1.106620 0.139550 |
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Coordinates from ORCA-job cmmd E -4.175218465760 |
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C 1.044341 0.082111 0.035930 |
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H 2.126651 0.082120 0.035930 |
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H 0.683576 -0.514430 0.863807 |
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H 0.683576 -0.336583 -0.894627 |
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H 0.683567 1.097342 0.138611 |
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Coordinates from ORCA-job cmmd E -4.175218519970 |
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C 1.044341 0.082111 0.035930 |
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H 2.126502 0.082120 0.035930 |
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H 0.683625 -0.514348 0.863693 |
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H 0.683625 -0.336525 -0.894499 |
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H 0.683616 1.097201 0.138596
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