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21 lines
861 B
21 lines
861 B
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Coordinates from ORCA-job cmmd E -4.174962272510 |
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C 1.068140 0.069870 0.021800 |
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H 2.160340 0.069870 0.021800 |
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H 0.704080 -0.652790 0.755360 |
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H 0.704070 -0.204080 -0.970830 |
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H 0.704070 1.066480 0.280860 |
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Coordinates from ORCA-job cmmd E -4.175218465760 |
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C 1.068140 0.069870 0.021798 |
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H 2.150450 0.069870 0.021798 |
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H 0.707375 -0.646250 0.748718 |
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H 0.707369 -0.201600 -0.961839 |
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H 0.707366 1.057460 0.278514 |
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Coordinates from ORCA-job cmmd E -4.175218519970 |
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C 1.068140 0.069870 0.021798 |
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H 2.150300 0.069871 0.021797 |
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H 0.707424 -0.646152 0.748618 |
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H 0.707419 -0.201563 -0.961703 |
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H 0.707417 1.057324 0.278480
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