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21 lines
861 B
21 lines
861 B
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Coordinates from ORCA-job cmmd E -4.174962248340 |
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C 1.083670 -0.046790 0.028460 |
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H 2.175870 -0.046790 0.028460 |
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H 0.719610 0.077060 1.050720 |
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H 0.719600 -0.994020 -0.375410 |
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H 0.719600 0.776590 -0.589920 |
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Coordinates from ORCA-job cmmd E -4.175218465760 |
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C 1.083670 -0.046790 0.028460 |
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H 2.165980 -0.046790 0.028460 |
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H 0.722906 0.075938 1.041466 |
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H 0.722897 -0.985442 -0.371753 |
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H 0.722897 0.769134 -0.584323 |
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Coordinates from ORCA-job cmmd E -4.175218519970 |
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C 1.083670 -0.046790 0.028461 |
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H 2.165830 -0.046790 0.028459 |
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H 0.722955 0.075921 1.041327 |
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H 0.722947 -0.985312 -0.371698 |
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H 0.722947 0.769021 -0.584239
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