113 lines
4.9 KiB
Plaintext
113 lines
4.9 KiB
Plaintext
14
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Coordinates from ORCA-job orca E -232.907889768930
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C 2.714459 -0.241317 0.697450
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C 1.392571 -0.312794 0.481094
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C 0.737457 0.653063 -0.362812
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C -0.563302 0.630699 -0.611006
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C -1.469931 -0.366850 -0.061529
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C -2.778381 -0.374819 -0.321890
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H 3.324930 0.537839 0.248404
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H 3.238282 -0.948875 1.324589
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H 0.875030 -1.123638 0.972361
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H 1.328358 1.437420 -0.819672
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H -1.014840 1.382653 -1.256110
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H -1.119970 -1.168266 0.599323
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H -3.457550 -1.112525 0.082694
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H -3.207113 0.391447 -0.972894
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14
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Coordinates from ORCA-job orca E -232.914917373413
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C 2.804914 -0.220711 0.700773
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C 1.468385 -0.318201 0.500431
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C 0.746770 0.622451 -0.338461
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C -0.591423 0.595754 -0.591117
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C -1.540431 -0.378681 -0.067206
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C -2.861329 -0.354034 -0.353958
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H 3.401729 0.579621 0.233476
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H 3.357205 -0.930136 1.335072
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H 0.954951 -1.147759 1.006126
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H 1.338126 1.424444 -0.808099
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H -1.033110 1.364405 -1.246543
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H -1.201222 -1.188588 0.597668
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H -3.570412 -1.092976 0.045495
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H -3.274155 0.428448 -1.013653
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Coordinates from ORCA-job orca E -232.915682484957
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C 2.827419 -0.217045 0.702606
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C 1.488382 -0.314024 0.501319
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C 0.746160 0.613587 -0.332134
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C -0.600197 0.584483 -0.584667
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C -1.556343 -0.379509 -0.069964
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C -2.881054 -0.349019 -0.361658
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H 3.423960 0.584872 0.234025
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H 3.376126 -0.929686 1.338738
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H 0.960224 -1.142631 1.003586
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H 1.337708 1.418188 -0.803451
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H -1.032807 1.359060 -1.242467
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H -1.203922 -1.186614 0.595557
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H -3.589038 -1.090370 0.039854
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H -3.296617 0.432745 -1.021342
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14
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Coordinates from ORCA-job orca E -232.915903678911
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C 2.835322 -0.217014 0.704219
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C 1.496968 -0.309370 0.499671
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C 0.744508 0.610207 -0.330015
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C -0.603765 0.579451 -0.581749
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C -1.562528 -0.379122 -0.071588
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C -2.887876 -0.348252 -0.363569
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H 3.433346 0.583857 0.236607
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H 3.375886 -0.933625 1.341688
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H 0.953069 -1.133080 0.995169
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H 1.335393 1.415503 -0.801917
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H -1.026002 1.358800 -1.240901
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H -1.195794 -1.181008 0.592871
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H -3.589935 -1.092950 0.041634
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H -3.308591 0.430639 -1.022118
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14
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Coordinates from ORCA-job orca E -232.915942805260
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C 2.833899 -0.218608 0.705208
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C 1.496758 -0.307570 0.498267
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C 0.743650 0.611332 -0.331093
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C -0.603365 0.580197 -0.582304
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C -1.562038 -0.378527 -0.071967
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C -2.886709 -0.349793 -0.362096
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H 3.433154 0.581302 0.238675
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H 3.369402 -0.937513 1.343353
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H 0.945295 -1.128143 0.989712
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H 1.333686 1.416689 -0.803247
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H -1.020204 1.361648 -1.241934
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H -1.188385 -1.177589 0.591672
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H -3.584367 -1.096665 0.045652
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H -3.310776 0.427277 -1.019896
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Coordinates from ORCA-job orca E -232.915951138063
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C 2.831738 -0.219847 0.705792
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C 1.495254 -0.307339 0.497715
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C 0.743411 0.612792 -0.332299
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C -0.602516 0.581707 -0.583321
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C -1.560788 -0.378129 -0.072020
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C -2.884944 -0.351115 -0.360665
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H 3.431295 0.579807 0.239701
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H 3.365052 -0.939797 1.344251
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H 0.940684 -1.126489 0.987223
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H 1.332680 1.418254 -0.804727
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H -1.016719 1.364129 -1.243172
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H -1.184258 -1.175942 0.591199
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H -3.580297 -1.099159 0.048478
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H -3.310591 0.425165 -1.018153
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14
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Coordinates from ORCA-job orca E -232.915951865145
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C 2.831189 -0.220113 0.705959
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C 1.494764 -0.307656 0.497770
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C 0.743541 0.613147 -0.332614
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C -0.602270 0.582178 -0.583690
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C -1.560445 -0.378021 -0.072057
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C -2.884566 -0.351423 -0.360288
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H 3.430437 0.579731 0.239815
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H 3.364391 -0.940147 1.344460
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H 0.939839 -1.126666 0.986945
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H 1.332463 1.418726 -0.805198
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H -1.015894 1.364842 -1.243608
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H -1.183558 -1.175687 0.591085
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H -3.579516 -1.099691 0.049151
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H -3.310374 0.424815 -1.017727
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