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103 lines
4.4 KiB
103 lines
4.4 KiB
2 years ago
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Coordinates from ORCA-job cmmd E -15.813823527310
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C 1.253970 -0.087850 0.236110
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C 0.326710 -1.222030 -0.169190
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C -1.082040 -0.675110 0.043510
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C -0.946150 0.845120 0.122080
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C 0.504630 1.150760 -0.222060
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H 2.240750 -0.172920 -0.227570
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H 1.384620 -0.073870 1.324710
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H 0.508830 -2.133100 0.408370
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H 0.473010 -1.462750 -1.229290
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H -1.513940 -1.062630 0.972820
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H -1.743910 -0.977410 -0.775000
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H -1.169630 1.182400 1.141400
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H -1.640100 1.355580 -0.553100
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H 0.864040 2.060640 0.266980
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H 0.614500 1.279940 -1.305450
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15
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Coordinates from ORCA-job cmmd E -15.814241222380
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C 1.257123 -0.088091 0.238226
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C 0.328826 -1.226976 -0.172935
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C -1.088491 -0.679714 0.044787
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C -0.950523 0.850465 0.125720
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C 0.506368 1.154273 -0.224938
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H 2.245041 -0.172991 -0.215333
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H 1.379029 -0.071943 1.323172
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H 0.512114 -2.137358 0.398053
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H 0.479548 -1.461348 -1.229026
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H -1.516833 -1.070415 0.969225
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H -1.749798 -0.979717 -0.769026
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H -1.167689 1.190610 1.140388
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H -1.642768 1.360747 -0.544398
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H 0.866704 2.064442 0.255169
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H 0.616638 1.274786 -1.304765
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15
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Coordinates from ORCA-job cmmd E -15.814284975000
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C 1.256840 -0.087971 0.240929
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C 0.329515 -1.227180 -0.176191
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C -1.089636 -0.680681 0.045702
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C -0.950883 0.851597 0.128554
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C 0.506606 1.153997 -0.227959
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H 2.247193 -0.173216 -0.204973
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H 1.369029 -0.069993 1.325991
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H 0.512598 -2.138785 0.390994
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H 0.482449 -1.454647 -1.232210
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H -1.514223 -1.073592 0.969408
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H -1.751405 -0.977871 -0.767095
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H -1.162122 1.192254 1.142832
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H -1.643824 1.361220 -0.539544
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H 0.867356 2.066207 0.245741
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H 0.615797 1.265430 -1.307858
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15
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Coordinates from ORCA-job cmmd E -15.814304882810
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C 1.255759 -0.087735 0.244138
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C 0.330030 -1.226385 -0.179456
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C -1.089550 -0.680907 0.046501
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C -0.950251 0.851938 0.131194
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C 0.506593 1.152913 -0.231316
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H 2.249411 -0.173472 -0.193485
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H 1.356785 -0.067973 1.330167
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H 0.512793 -2.140292 0.383710
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H 0.484505 -1.445960 -1.236559
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H -1.510226 -1.075841 0.970688
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H -1.752335 -0.975396 -0.766044
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H -1.155056 1.192253 1.146436
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H -1.644903 1.361314 -0.534953
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H 0.867883 2.068121 0.235501
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H 0.613852 1.254194 -1.312201
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15
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Coordinates from ORCA-job cmmd E -15.814311679880
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C 1.254764 -0.087506 0.246357
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C 0.330312 -1.225457 -0.181258
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C -1.088902 -0.680693 0.046834
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C -0.949381 0.851790 0.132471
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C 0.506536 1.151901 -0.233475
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H 2.250907 -0.173582 -0.185613
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H 1.348285 -0.066771 1.333273
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H 0.513007 -2.141451 0.378820
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H 0.485140 -1.439720 -1.239568
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H -1.507362 -1.076489 0.971842
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H -1.752602 -0.974004 -0.765631
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H -1.150114 1.191161 1.149001
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H -1.645670 1.361592 -0.531936
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H 0.868338 2.069444 0.228533
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H 0.612033 1.246555 -1.315330
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15
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Coordinates from ORCA-job cmmd E -15.814313366050
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C 1.254359 -0.087377 0.247155
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C 0.330425 -1.225019 -0.181593
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C -1.088479 -0.680500 0.046806
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C -0.948922 0.851627 0.132567
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C 0.506553 1.151472 -0.234149
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H 2.251512 -0.173549 -0.182679
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H 1.345388 -0.066448 1.334450
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H 0.513299 -2.142065 0.376923
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H 0.484946 -1.437484 -1.240528
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H -1.506574 -1.076197 0.972249
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H -1.752594 -0.973990 -0.765485
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H -1.148462 1.190193 1.149840
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H -1.646034 1.362100 -0.530685
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H 0.868686 2.069982 0.225902
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H 0.611188 1.244027 -1.316453
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