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56 lines
2.4 KiB
56 lines
2.4 KiB
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Coordinates from ORCA-job cmmd E -15.878848475480 |
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C 1.382680 -0.221770 0.005570 |
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C 0.506340 -1.307050 -0.008130 |
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C -0.871400 -1.090590 -0.014570 |
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C -1.373230 0.210910 -0.004460 |
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C -0.496830 1.295960 0.010580 |
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C 0.880990 1.079530 0.014120 |
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H 2.456200 -0.390440 0.009600 |
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H 0.897240 -2.320890 -0.014140 |
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H -1.554150 -1.935930 -0.027090 |
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H -2.446570 0.379420 -0.008330 |
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H -0.887690 2.310030 0.019130 |
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H 1.563770 1.924860 0.023730 |
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Coordinates from ORCA-job cmmd E -15.879635904820 |
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C 1.373483 -0.220370 0.005486 |
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C 0.503034 -1.298271 -0.008552 |
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C -0.865566 -1.083277 -0.013955 |
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C -1.363971 0.209460 -0.004455 |
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C -0.493502 1.287234 0.009972 |
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C 0.875165 1.072283 0.014515 |
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H 2.440669 -0.388048 0.009436 |
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H 0.891632 -2.306209 -0.015155 |
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H -1.544313 -1.923643 -0.025717 |
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H -2.431149 0.376991 -0.008298 |
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H -0.882040 2.295219 0.017842 |
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H 1.553908 1.912671 0.024891 |
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Coordinates from ORCA-job cmmd E -15.879640611400 |
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C 1.372627 -0.220257 0.005473 |
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C 0.502734 -1.297441 -0.008692 |
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C -0.865051 -1.082610 -0.013787 |
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C -1.363089 0.209312 -0.004461 |
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C -0.493192 1.286428 0.009814 |
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C 0.874638 1.071627 0.014658 |
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H 2.439905 -0.387931 0.009379 |
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H 0.891345 -2.305478 -0.015658 |
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H -1.543848 -1.923054 -0.025162 |
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H -2.430378 0.376863 -0.008322 |
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H -0.881754 2.294490 0.017304 |
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H 1.553413 1.912091 0.025463 |
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Coordinates from ORCA-job cmmd E -15.879640652450 |
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C 1.372604 -0.220263 0.005470 |
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C 0.502729 -1.297417 -0.008729 |
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C -0.865058 -1.082608 -0.013747 |
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C -1.363056 0.209299 -0.004464 |
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C -0.493181 1.286414 0.009778 |
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C 0.874634 1.071623 0.014697 |
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H 2.439965 -0.387928 0.009359 |
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H 0.891353 -2.305537 -0.015842 |
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H -1.543894 -1.923121 -0.024963 |
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H -2.430428 0.376871 -0.008335 |
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H -0.881765 2.294553 0.017113 |
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H 1.553446 1.912154 0.025671
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