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21 lines
861 B
21 lines
861 B
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Coordinates from ORCA-job cmmd E -40.451784938188 |
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C 0.956890 -0.061120 -0.066380 |
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H 2.049080 -0.061120 -0.066380 |
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H 0.592820 0.288480 -1.034950 |
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H 0.592820 0.602900 0.720670 |
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H 0.592820 -1.074720 0.115150 |
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Coordinates from ORCA-job cmmd E -40.451924540961 |
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C 0.956878 -0.061120 -0.066402 |
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H 2.056475 -0.061105 -0.066362 |
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H 0.590353 0.290846 -1.041510 |
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H 0.590377 0.607388 0.725999 |
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H 0.590347 -1.081589 0.116385 |
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Coordinates from ORCA-job cmmd E -40.451924547020 |
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C 0.956873 -0.061122 -0.066413 |
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H 2.056522 -0.061098 -0.066350 |
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H 0.590332 0.290862 -1.041563 |
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H 0.590374 0.607414 0.726039 |
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H 0.590328 -1.081636 0.116397
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