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25 lines
965 B
25 lines
965 B
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Coordinates from ORCA-job cmmd E -5.070207859580 |
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O 1.049730 -0.083680 -0.044380 |
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H 2.017620 -0.037340 -0.041440 |
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H 0.770880 0.842470 0.014470 |
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Coordinates from ORCA-job cmmd E -5.070460597670 |
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O 1.054814 -0.076503 -0.043924 |
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H 2.015596 -0.041293 -0.041691 |
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H 0.767820 0.839246 0.014265 |
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Coordinates from ORCA-job cmmd E -5.070538630830 |
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O 1.059444 -0.069967 -0.043509 |
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H 2.017578 -0.047594 -0.042092 |
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H 0.761208 0.839011 0.014250 |
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Coordinates from ORCA-job cmmd E -5.070544251940 |
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O 1.060333 -0.068712 -0.043429 |
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H 2.019077 -0.049592 -0.042219 |
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H 0.758820 0.839755 0.014298 |
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Coordinates from ORCA-job cmmd E -5.070544447410 |
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O 1.060392 -0.068630 -0.043424 |
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H 2.019405 -0.049886 -0.042237 |
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H 0.758433 0.839966 0.014311
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