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C 0.33799070 -0.33534926 -3.57776113
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C 3.94532263 5.67906945 -1.94888774
C 4.62607696 5.45712224 -0.67594560
C 4.87306027 4.23178076 -0.18455976
C 5.38755348 4.02746131 1.18977201
C 5.01968579 2.95481024 1.89471741
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C 4.50466166 3.05214751 -0.98304134
C 3.51705391 3.21468607 -2.08821219
C 3.40277892 4.59594412 -2.64880508
C 2.72670148 4.81057724 -3.84198034
H 2.03441857 6.24972039 -5.26843983
H 2.98421353 8.17801488 -4.03326303
H 4.19905119 7.80758749 -1.92033931
H 4.90341693 6.33333028 -0.09828528
H 5.99243582 4.81210868 1.62644145
H 5.28764378 2.80942947 2.93342830
H 2.80299993 0.81765444 3.95413153
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H 3.66203516 2.50174559 -2.90249635
H 2.30869053 3.96437390 -4.37580419
|
optimized_conformer_99.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 1.17742251 0.49258298 3.22506302
C 2.28459305 0.27755429 2.30618779
C 0.38336783 -0.57256713 3.59802611
C 2.54864084 -0.99891967 1.82726257
C 2.91402067 -1.18286351 0.46590779
C 2.39621573 1.39399419 1.43199559
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C 0.58666392 1.77735253 2.92112032
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C 0.64860634 2.98805510 0.83830485
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C -3.41317624 -0.33746258 2.11462633
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C -2.83875015 0.83850835 2.55612388
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C -3.24649388 1.88820422 0.37825853
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C -1.95107248 -3.37932839 0.99128147
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C -2.95874652 -2.49135564 1.31339979
C -3.64786942 -1.76076140 0.27118406
C -1.58138061 -3.57496154 -0.39392462
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C -3.28790835 -1.94082665 -1.04886772
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C 1.57859852 -3.00889390 1.11746085
C 0.66150985 -1.90652540 3.10117865
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C 0.76822823 -1.35472187 -2.91395650
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C 2.79974821 -0.21664608 -1.89817203
C 0.17270705 -0.07757699 -3.24472775
C 6.18030886 7.88924136 0.33742332
C 6.97808117 8.10170253 -0.82451700
C 6.82884096 7.30841778 -1.91313143
C 5.89013324 6.23066425 -1.91071643
C 5.73647919 5.39675357 -3.01586985
C 4.86291513 4.31706137 -2.99320708
C 4.73686434 3.43835913 -4.12936283
C 3.90147927 2.36570003 -4.13368220
C 3.15413600 2.15098400 -2.94730299
C 3.25518501 2.94471623 -1.85771738
C 4.09757705 4.08542541 -1.80203508
C 4.21789120 4.93263495 -0.71049907
C 5.10867107 6.00362962 -0.73855227
C 5.27591901 6.87965882 0.37838374
H 6.29756639 8.54638946 1.18896139
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H 7.42559612 7.47236830 -2.80329414
H 6.31952554 5.59187835 -3.90986417
H 5.34382419 3.66298571 -4.99956100
H 3.82694318 1.71283279 -4.99293933
H 3.76230838 -0.32796558 -2.41047116
H 0.60325718 1.49101756 -0.32697169
H 3.62156327 4.75558528 0.17907281
H 4.66147813 6.71848255 1.25706292
|
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