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22 lines
861 B
22 lines
861 B
2 years ago
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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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