filename
stringlengths 25
27
| content
stringlengths 4.6k
4.6k
|
|---|---|
optimized_conformer_0.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.19117638 0.51111600 2.46203702
C 3.09626981 0.07448517 1.41961146
C 1.30691803 -0.38741784 3.02799738
C 3.07797094 -1.23865237 0.99112948
C 3.18078235 -1.54086234 -0.42129175
C 3.21973570 1.14746353 0.45490798
C 3.31915956 0.85972985 -0.89242140
C 3.29996925 -0.51646142 -1.34060452
C -0.47451521 1.29431992 2.98710800
C 0.45343558 2.23775995 2.39999593
C -0.05800202 0.01402374 3.29300977
C 1.75571820 1.85521291 2.14108164
C 2.39167099 2.24826283 0.90034427
C -0.27308645 3.03596112 1.43298192
C 0.33445743 3.41259421 0.25087858
C 1.69846983 3.00941632 -0.02109927
C -2.16354531 -0.90756286 2.44766546
C -2.59960725 0.43612781 2.12698822
C -0.92327477 -1.11323340 3.02118110
C -1.77487703 1.51267367 2.39202398
C -1.65005624 2.58721156 1.42814458
C -3.33697164 0.38272868 0.88216748
C -3.21933955 1.40697116 -0.03789936
C -2.35559524 2.53469024 0.24180662
C -0.53863598 -3.05556670 1.57582312
C -1.83929351 -2.84066693 0.97603007
C -0.09173086 -2.21377512 2.57529999
C -2.63164557 -1.79123754 1.40008066
C -3.35672424 -0.99397486 0.43312031
C -1.73580600 -3.14262393 -0.43613200
C -2.42757800 -2.38270386 -1.35940686
C -3.25774172 -1.28405219 -0.91374051
C 2.14971960 -2.17873458 1.58399137
C 1.67998524 -3.06252408 0.53781668
C 1.28615394 -1.76476334 2.57962955
C 0.36731964 -3.49179236 0.53334420
C -0.37228755 -3.54523028 -0.70974088
C 2.31725667 -2.66858308 -0.70110814
C 1.61320173 -2.72083940 -1.88845112
C 0.23679069 -3.16940549 -1.89174369
C -2.22753395 -0.64599128 -2.91726978
C -1.79118386 -1.98929082 -2.59862825
C -0.48992642 -2.37411555 -2.85838056
C -1.34200730 0.25055122 -3.48276625
C -2.18744288 2.04365112 -2.04234430
C -3.11584420 1.10357503 -1.44995430
C -3.13452455 -0.21023981 -1.87653926
C -1.32151127 1.62637822 -3.03433681
C 0.50322911 2.92046010 -2.03361815
C -0.40430418 3.35655965 -0.99339275
C -1.71731030 2.92760055 -0.99691855
C 0.05438306 2.07505083 -3.02969017
C 2.12506120 0.77139112 -2.90476428
C 2.59342426 1.65608953 -1.85872289
C 1.80277406 2.70613914 -1.43296617
C 0.88462261 0.97672504 -3.47634140
C 0.43723284 -1.43318251 -3.45127592
C 1.73775042 -1.64773252 -2.85249241
C 2.56214103 -0.57166043 -2.58493229
C 0.02150324 -0.15151358 -3.75538303
C 3.65189916 -0.62630907 6.62898904
C 3.69465387 0.75407548 6.27516951
C 2.54970710 1.46526563 6.12845688
C 1.27365316 0.84990856 6.33265837
C 0.07915247 1.55138147 6.19913443
C -1.15489638 0.92943992 6.36997694
C -2.39163564 1.62688356 6.19227203
C -3.57731900 0.99411831 6.37300458
C -3.61657813 -0.38509209 6.73180616
C -2.46721924 -1.08591694 6.88792203
C -1.19548631 -0.45712467 6.70528580
C -0.00082698 -1.15552041 6.85109716
C 1.23140354 -0.53702421 6.66977160
C 2.46338430 -1.24901976 6.81898423
H 4.57818006 -1.17411561 6.74290713
H 4.65323670 1.23209105 6.12681919
H 2.58228404 2.51140135 5.84981159
H 0.10818236 2.60491214 5.93931289
H -2.35975670 2.67030415 5.90167639
H -4.50537013 1.53573095 6.24888617
H -4.57355762 -0.87078073 6.87144806
H -2.48863531 -2.13599286 7.15396809
H -0.03028430 -2.20676210 7.11697322
H 2.41946620 -2.29644832 7.09195625
|
optimized_conformer_1.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.27728685 0.61610384 2.46575650
C 3.18090826 0.18239973 1.42168655
C 1.39656190 -0.28457650 3.03513634
C 3.16357637 -1.13098902 0.99294304
C 3.26308330 -1.43275652 -0.41898412
C 3.30101214 1.25661781 0.45861026
C 3.39681074 0.96885247 -0.88923719
C 3.37701936 -0.40699762 -1.33753441
C -0.38828270 1.39565600 3.00728957
C 0.53536396 2.33800951 2.41222224
C 0.03286150 0.11568626 3.30716969
C 1.83731944 1.95830216 2.14743435
C 2.47029525 2.35463122 0.90660779
C -0.19515729 3.13238368 1.44629073
C 0.40810501 3.51043898 0.26250119
C 1.77247064 3.11338148 -0.01337914
C -2.07218198 -0.81289913 2.46118543
C -2.51419355 0.53105639 2.14364700
C -0.83007350 -1.01517159 3.02889920
C -1.69177862 1.60878444 2.40892881
C -1.57153999 2.68263330 1.44569066
C -3.25530304 0.47496275 0.90141846
C -3.14179351 1.49987805 -0.01842219
C -2.28086827 2.62896646 0.26080492
C -0.44831570 -2.95810509 1.58567329
C -1.74998172 -2.74371496 0.98826356
C 0.00069940 -2.11481522 2.58372710
C -2.54469947 -1.69762651 1.41640730
C -3.27377162 -0.90149027 0.45198775
C -1.65072591 -3.04558886 -0.42404560
C -2.34778147 -2.28738671 -1.34499650
C -3.17727661 -1.19010824 -0.89589442
C 2.24001460 -2.07362120 1.58869241
C 1.76889869 -2.95811367 0.54307140
C 1.37787510 -1.66247454 2.58666779
C 0.45621440 -3.38879132 0.54011294
C -0.28653590 -3.44403102 -0.70056319
C 2.40136773 -2.56205168 -0.69702687
C 1.69340475 -2.61322668 -1.88216143
C 0.31907753 -3.06613280 -1.88353204
C -2.15392825 -0.54772586 -2.90297869
C -1.71375713 -1.88964750 -2.58437822
C -0.41230239 -2.27119412 -2.84660809
C -1.27204832 0.35150826 -3.47076386
C -2.11617981 2.14026982 -2.02438018
C -3.04013285 1.19771000 -1.43057133
C -3.05819620 -0.11552287 -1.85861387
C -1.25351414 1.72712041 -3.02121868
C 0.57183100 3.02351374 -2.02310110
C -0.33373378 3.45508906 -0.97929385
C -1.64582333 3.02347082 -0.97887881
C 0.12157516 2.17873258 -3.01919699
C 2.19628224 0.87923454 -2.89850834
C 2.66666036 1.76407111 -1.85364951
C 1.87397993 2.81179602 -1.42583131
C 0.95336249 1.08195071 -3.46646361
C 0.51089606 -1.32832965 -3.44188985
C 1.81287204 -1.53981498 -2.84601994
C 2.63608262 -0.46256977 -2.57982978
C 0.09201867 -0.04741900 -3.74520018
C -1.24272082 3.47838500 6.58963164
C -2.45548444 2.83445053 6.20401266
C -2.50678326 1.48640082 6.06447818
C -1.34986879 0.67836042 6.30314023
C -1.36609696 -0.70577096 6.16394858
C -0.21458504 -1.46710470 6.34325526
C -0.19775766 -2.88547896 6.15351602
C 0.93901377 -3.59985279 6.34374782
C 2.15032678 -2.94936145 6.72268871
C 2.17972211 -1.60552546 6.89069791
C 1.00175316 -0.81593542 6.70684413
C 1.01170729 0.56432503 6.87109131
C -0.13286283 1.32660719 6.67269075
C -0.12285699 2.74933582 6.81379974
H -1.22025912 4.55532591 6.69990426
H -3.33811470 3.43399718 6.02147229
H -3.42465433 1.00073840 5.75561419
H -2.29055810 -1.20100629 5.88649195
H -1.11199590 -3.37869988 5.84568898
H 0.93268425 -4.67351106 6.20899951
H 3.04971817 -3.53494425 6.86728912
H 3.09901580 -1.10553898 7.16979306
H 1.93269903 1.05766139 7.16114532
H 0.80206701 3.23276405 7.10451016
|
optimized_conformer_10.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.38419758 0.51238902 2.50159711
C 3.27972943 0.07835580 1.44970873
C 1.50609976 -0.38718124 3.07575538
C 3.25573708 -1.23422900 1.01886008
C 3.34265582 -1.53570904 -0.39424981
C 3.39156093 1.15299779 0.48609463
C 3.47324290 0.86559865 -0.86306061
C 3.45016424 -0.50983389 -1.31291508
C -0.27329561 1.29517428 3.06302358
C 0.64644902 2.24074272 2.46527870
C 0.14570810 0.01453190 3.36467379
C 1.94487578 1.85666723 2.18990604
C 2.56620006 2.25112389 0.94249246
C -0.09355875 3.04030332 1.50803950
C 0.49956198 3.41624136 0.31773938
C 1.85989405 3.01109917 0.02987205
C -1.96810794 -0.91000642 2.53440444
C -2.40594331 0.43440702 2.21836249
C -0.72164238 -1.11499580 3.09394954
C -1.57942906 1.50861472 2.47485917
C -1.46863780 2.58750356 1.51578062
C -3.16223019 0.38105381 0.98497138
C -3.05643282 1.40747275 0.06543239
C -2.18890337 2.53603765 0.33797971
C -0.35375426 -3.05713697 1.64258364
C -1.65980662 -2.84099086 1.05788228
C 0.10419356 -2.21253818 2.63633033
C -2.44910076 -1.79293034 1.49231620
C -3.18761539 -0.99550160 0.53491734
C -1.57225839 -3.13997162 -0.35570351
C -2.27589199 -2.37964041 -1.26967440
C -3.10330365 -1.28254247 -0.81396258
C 2.33494627 -2.17480928 1.62052022
C 1.85415177 -3.05857261 0.58000512
C 1.48037352 -1.76267359 2.62493042
C 0.54146676 -3.48906803 0.58985744
C -0.21213799 -3.54172363 -0.64500954
C 2.47705553 -2.66362957 -0.66549253
C 1.75877803 -2.71434805 -1.84453971
C 0.38294944 -3.16426401 -1.83354353
C -2.09535962 -0.64116801 -2.82791746
C -1.65385724 -1.98413190 -2.51530258
C -0.35535805 -2.36774034 -2.79049828
C -1.21622697 0.25665281 -3.40193703
C -2.04664385 2.04768297 -1.94900130
C -2.96810178 1.10631058 -1.34840997
C -2.99193482 -0.20748375 -1.77717481
C -1.19219323 1.63215135 -2.95207093
C 0.64247687 2.92578253 -1.96936973
C -0.25312492 3.36192573 -0.91843892
C -1.56649590 2.93228910 -0.90754292
C 0.18300342 2.08277599 -2.96322489
C 2.25540064 0.77812405 -2.86079727
C 2.73552312 1.66150161 -1.81976476
C 1.94843260 2.70995665 -1.38341207
C 1.00894967 0.98482261 -3.41904155
C 0.56425024 -1.42564095 -3.39275363
C 1.87086081 -1.64006383 -2.80811288
C 2.69749119 -0.56418216 -2.54823490
C 0.14433016 -0.14362716 -3.69137699
C -4.55199367 1.07511513 4.73174530
C -3.41122205 0.89848592 5.57165445
C -2.47495651 1.87303176 5.67522960
C -2.59809450 3.08900008 4.93119125
C -1.63959103 4.09492806 4.99909483
C -1.73596386 5.24070132 4.21595327
C -0.75936608 6.28413532 4.27382081
C -0.84901323 7.36447493 3.46100705
C -1.92427633 7.48366202 2.53275710
C -2.88708865 6.53235568 2.47058062
C -2.83425283 5.38001870 3.31508229
C -3.80933236 4.38895258 3.27172046
C -3.72077011 3.24995608 4.06357519
C -4.70095613 2.20958251 4.00482128
H -5.29543276 0.28995049 4.67400224
H -3.29670319 -0.02624158 6.12272060
H -1.60049100 1.74046431 6.30195357
H -0.79163001 3.97610301 5.66562379
H 0.05114726 6.19409952 4.98678059
H -0.10359193 8.14696516 3.51192937
H -1.96357053 8.34244283 1.87623826
H -3.71120464 6.62318882 1.77365238
H -4.65140890 4.49579649 2.59648181
H -5.55640804 2.34220348 3.35249919
|
optimized_conformer_100.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.19257810 0.23396929 2.66369431
C 3.09553744 -0.20363973 1.61966949
C 1.30922228 -0.66293646 3.23268914
C 3.07325237 -1.51738747 1.19318387
C 3.16982528 -1.82291502 -0.21773371
C 3.21738897 0.86771163 0.65391967
C 3.30859451 0.57758213 -0.69345213
C 3.28505220 -0.79969624 -1.13863957
C -0.47124482 1.02079330 3.20670118
C 0.45499930 1.95896125 2.60970389
C -0.05251340 -0.26015232 3.51079371
C 1.75543813 1.57621016 2.34410365
C 2.39039937 1.96952338 1.10157623
C -0.27546199 2.75239762 1.64221997
C 0.32704439 3.12123144 0.45672949
C 1.69227449 2.72291006 0.17964336
C -2.15962457 -1.18411387 2.66874049
C -2.59681689 0.15846689 2.34877233
C -0.91733756 -1.38794761 3.23680489
C -1.77398085 1.23637079 2.61162089
C -1.65412078 2.30840463 1.64542640
C -3.34080204 0.10326301 1.10891964
C -3.22709268 1.12566108 0.18659203
C -2.36276225 2.25420551 0.46113699
C -0.54101386 -3.33366882 1.79527979
C -1.84391558 -3.11982400 1.20160461
C -0.08956699 -2.48833155 2.78996170
C -2.63455415 -2.06993475 1.62710547
C -3.36470927 -1.27383663 0.66291441
C -1.74740318 -3.42525314 -0.21009952
C -2.44280448 -2.66512020 -1.13059768
C -3.27122005 -1.56548176 -0.68381268
C 2.14902401 -2.45687913 1.79243795
C 1.67431192 -3.34383717 0.75112387
C 1.28686318 -2.04005446 2.78764151
C 0.36073831 -3.77216441 0.75118188
C -0.38525598 -3.83017194 -0.48878532
C 2.30553399 -2.95181540 -0.49124569
C 1.59500633 -3.00531434 -1.67446667
C 0.21859722 -3.45538993 -1.67340898
C -2.24948645 -0.93074387 -2.69412205
C -1.81115118 -2.27249155 -2.37269809
C -0.51166765 -2.65853800 -2.63678300
C -1.36595262 -0.03514331 -3.26479945
C -2.20303630 1.75991235 -1.82291442
C -3.12929388 0.82039547 -1.22538923
C -3.15142418 -0.49375863 -1.64988042
C -1.34196423 1.34216371 -2.81869022
C 0.48768145 2.64018664 -1.82975323
C -0.41632261 3.07338497 -0.78445687
C -1.72944466 2.64654807 -0.78162532
C 0.03461465 1.79214585 -2.82250426
C 2.10466040 0.48491324 -2.70121541
C 2.57890645 1.37288586 -1.65971286
C 1.79125429 2.42428304 -1.23403564
C 0.86173060 0.68979221 -3.26748518
C 0.41319473 -1.71936683 -3.23470866
C 1.71487639 -1.93309000 -2.63982298
C 2.54117204 -0.85724451 -2.37910707
C -0.00342591 -0.43852560 -3.54133891
C 5.40871308 5.50166449 -0.80016080
C 5.44356929 5.98947772 -2.14043490
C 4.32024203 6.46761558 -2.72881841
C 3.07596071 6.48717330 -2.02585668
C 1.90267000 6.95345340 -2.60907750
C 0.69442179 6.92882006 -1.92224267
C -0.52470442 7.36171148 -2.52905840
C -1.70078695 7.28000242 -1.86228944
C -1.74029512 6.78086837 -0.52635469
C -0.60181324 6.38978991 0.09660946
C 0.65688193 6.43719322 -0.58307050
C 1.83438576 5.99264776 0.00835712
C 3.04024994 5.99714029 -0.68557450
C 4.24951144 5.50894211 -0.09707124
H 6.31800805 5.12187972 -0.35165563
H 6.37912202 5.97361772 -2.68403018
H 4.33651711 6.83407541 -3.74791610
H 1.92155679 7.32981181 -3.62626181
H -0.48366357 7.75064175 -3.53874549
H -2.61893334 7.59530157 -2.34122184
H -2.69111788 6.71699055 -0.01380491
H -0.62649148 6.01730781 1.11450315
H 1.81064310 5.62090110 1.02800644
H 4.21325846 5.13690800 0.92116096
|
optimized_conformer_101.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.27728583 0.61610381 2.46575941
C 3.18090879 0.18240216 1.42168825
C 1.39656313 -0.28457493 3.03514003
C 3.16357493 -1.13098876 0.99294226
C 3.26308777 -1.43275673 -0.41898410
C 3.30101430 1.25661856 0.45861152
C 3.39680807 0.96885187 -0.88923557
C 3.37702036 -0.40699761 -1.33753313
C -0.38828295 1.39565880 3.00729252
C 0.53536390 2.33800972 2.41222534
C 0.03286265 0.11568587 3.30717258
C 1.83731942 1.95830415 2.14743766
C 2.47029894 2.35463218 0.90661101
C -0.19515839 3.13238302 1.44629435
C 0.40810781 3.51043224 0.26250182
C 1.77247305 3.11338009 -0.01337746
C -2.07218646 -0.81289990 2.46119285
C -2.51419470 0.53105831 2.14365350
C -0.83007379 -1.01516799 3.02889282
C -1.69178202 1.60878820 2.40893853
C -1.57154129 2.68263436 1.44569529
C -3.25530056 0.47496486 0.90142227
C -3.14179158 1.49987736 -0.01841988
C -2.28086700 2.62896601 0.26080675
C -0.44831734 -2.95810461 1.58567421
C -1.74998755 -2.74372225 0.98826851
C 0.00069876 -2.11481405 2.58372978
C -2.54469582 -1.69762787 1.41640812
C -3.27376809 -0.90148966 0.45198943
C -1.65072666 -3.04559346 -0.42404109
C -2.34778081 -2.28738553 -1.34499663
C -3.17727346 -1.19010818 -0.89589100
C 2.24001505 -2.07362109 1.58869366
C 1.76889749 -2.95811073 0.54307066
C 1.37787496 -1.66247398 2.58666681
C 0.45621170 -3.38879459 0.54011625
C -0.28653632 -3.44403135 -0.70056273
C 2.40137114 -2.56205354 -0.69702458
C 1.69340699 -2.61322878 -1.88216208
C 0.31907694 -3.06612733 -1.88352412
C -2.15392546 -0.54772628 -2.90297607
C -1.71375587 -1.88964834 -2.58437712
C -0.41229973 -2.27118782 -2.84660544
C -1.27204596 0.35150887 -3.47076279
C -2.11617847 2.14027122 -2.02438314
C -3.04012938 1.19771122 -1.43056970
C -3.05819153 -0.11552419 -1.85861231
C -1.25351469 1.72712299 -3.02121940
C 0.57183218 3.02350840 -2.02309995
C -0.33373165 3.45508001 -0.97929266
C -1.64582285 3.02347296 -0.97887890
C 0.12157491 2.17873528 -3.01920611
C 2.19627603 0.87923331 -2.89850711
C 2.66665765 1.76406935 -1.85364934
C 1.87398036 2.81179177 -1.42583044
C 0.95336252 1.08195502 -3.46647240
C 0.51089720 -1.32832483 -3.44188751
C 1.81287243 -1.53981345 -2.84601776
C 2.63607690 -0.46257032 -2.57982693
C 0.09201977 -0.04741530 -3.74520571
C -1.24273380 3.47838428 6.58965723
C -2.45548964 2.83445820 6.20402088
C -2.50678557 1.48640259 6.06446790
C -1.34986962 0.67836044 6.30312498
C -1.36610045 -0.70576995 6.16394097
C -0.21458515 -1.46710577 6.34323841
C -0.19775060 -2.88548274 6.15350275
C 0.93901339 -3.59986125 6.34376224
C 2.15032153 -2.94936936 6.72271023
C 2.17972141 -1.60552492 6.89068692
C 1.00175820 -0.81593351 6.70681121
C 1.01171401 0.56432795 6.87104700
C -0.13286104 1.32660917 6.67266427
C -0.12285921 2.74933541 6.81379665
H -1.22026921 4.55532155 6.69995717
H -3.33811692 3.43400024 6.02148598
H -3.42465114 1.00074835 5.75560157
H -2.29056936 -1.20100741 5.88651277
H -1.11197968 -3.37870790 5.84566966
H 0.93268143 -4.67352043 6.20902674
H 3.04970647 -3.53494850 6.86734501
H 3.09901626 -1.10553225 7.16975741
H 1.93270863 1.05766271 7.16108394
H 0.80206552 3.23276328 7.10448885
|
optimized_conformer_102.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 1.97105270 0.28785919 2.81006675
C 2.89236860 -0.12352348 1.77104455
C 1.08928863 -0.62693352 3.35135026
C 2.88987527 -1.42971559 1.32122098
C 3.00932718 -1.70919853 -0.09395030
C 3.01691376 0.96603125 0.82636195
C 3.13231054 0.69977377 -0.52424069
C 3.12909232 -0.66915013 -0.99545473
C -0.70610837 1.04123736 3.32764469
C 0.21844866 2.00040708 2.76001554
C -0.28035926 -0.24085138 3.61684850
C 1.52565924 1.63238520 2.50698917
C 2.17002856 2.05079242 1.28061535
C -0.50535092 2.80814615 1.80025430
C 0.11024610 3.20920044 0.62979520
C 1.47875166 2.81873543 0.36516348
C -2.36673457 -1.16842829 2.72588334
C -2.81242932 0.17530864 2.42418613
C -1.13095962 -1.37101066 3.30824417
C -2.00150281 1.25453589 2.71703788
C -1.87735828 2.34594819 1.77331731
C -3.53870853 0.13538393 1.17298411
C -3.42150778 1.17622361 0.27219744
C -2.57146133 2.30762197 0.57959433
C -0.71858763 -3.28849237 1.83889701
C -2.01363470 -3.07440934 1.22854874
C -0.28768986 -2.45631503 2.85385129
C -2.81798096 -2.03882001 1.66118327
C -3.54178821 -1.23309815 0.70128371
C -1.89404667 -3.35216360 -0.18664306
C -2.58495716 -2.58447273 -1.10409250
C -3.42839093 -1.49994462 -0.64889238
C 1.96443378 -2.38729625 1.88963238
C 1.51157940 -3.25793456 0.82530456
C 1.08484170 -1.99610296 2.88003984
C 0.20219984 -3.69701619 0.79986994
C -0.52433716 -3.73628269 -0.45147948
C 2.15741216 -2.83905592 -0.40080946
C 1.46475869 -2.87753413 -1.59539654
C 0.09227392 -3.33763334 -1.62122145
C -2.38342296 -0.81928739 -2.63133950
C -1.93898929 -2.16393626 -2.32952165
C -0.63211111 -2.53271818 -2.58228554
C -1.50109534 0.09471384 -3.17405733
C -2.37577893 1.85692863 -1.71126838
C -3.29962381 0.89757782 -1.14339145
C -3.30339269 -0.40898153 -1.59237123
C -1.49821967 1.46418849 -2.70343072
C 0.30463789 2.75648818 -1.66306063
C -0.61668673 3.16934816 -0.62344295
C -1.92595756 2.73017476 -0.64675681
C -0.12544426 1.92538944 -2.67818812
C 1.95644831 0.63359442 -2.55192627
C 2.40669450 1.50521700 -1.48605080
C 1.59800840 2.53571724 -1.05028977
C 0.71961343 0.83904809 -3.13244966
C 0.29331831 -1.57454651 -3.15054617
C 1.58851904 -1.78767455 -2.54007709
C 2.40180260 -0.71001663 -2.24738703
C -0.13060702 -0.29155195 -3.43942240
C 0.77630039 6.13957331 -4.95139739
C 0.10924356 7.25830504 -4.37059151
C 0.40420135 7.65786003 -3.11014097
C 1.38671677 6.96665014 -2.33461260
C 1.69604438 7.34479587 -1.03259080
C 2.62079119 6.63515225 -0.27473890
C 2.91744182 6.99288730 1.07660276
C 3.79122498 6.26441551 1.81134746
C 4.44065549 5.12829656 1.24428009
C 4.20581460 4.77240864 -0.04234451
C 3.28540703 5.51172570 -0.85074286
C 2.99441817 5.14929603 -2.16232551
C 2.05281371 5.84357654 -2.91472667
C 1.71407543 5.45658856 -4.25041157
H 0.51956705 5.83913587 -5.95834419
H -0.64121665 7.78503707 -4.94547233
H -0.10765247 8.50222367 -2.66267024
H 1.19924438 8.20274683 -0.58978630
H 2.42415470 7.85981052 1.49976445
H 4.00155492 6.54410165 2.83504688
H 5.11881823 4.54639697 1.85504909
H 4.69488303 3.90644822 -0.47409831
H 3.50040596 4.29446470 -2.59828642
H 2.21270789 4.59766479 -4.68518306
|
optimized_conformer_103.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.14768031 0.32084699 2.81750854
C 3.04228817 -0.09429759 1.75783428
C 1.29160433 -0.59539785 3.39673604
C 3.03837105 -1.40613685 1.32519899
C 3.11887365 -1.70217006 -0.08925109
C 3.12660429 0.98478635 0.79524323
C 3.20442661 0.70311838 -0.55488024
C 3.19986053 -0.67266786 -1.00687376
C -0.52047670 1.05476407 3.40465778
C 0.37745496 2.01441958 2.79759006
C -0.07358966 -0.21934302 3.69653484
C 1.68000098 1.65637703 2.51008543
C 2.28644257 2.06874940 1.26091433
C -0.38169237 2.80124372 1.84748857
C 0.19590304 3.19603918 0.65616275
C 1.56300231 2.82135583 0.35483123
C -2.17648140 -1.17863358 2.88169954
C -2.64351608 0.15676005 2.57457881
C -0.92166349 -1.36156986 3.42981731
C -1.83516173 1.24739717 2.82984976
C -1.74980751 2.32601710 1.86757256
C -3.40627824 0.09301391 1.34582707
C -3.32649859 1.12168614 0.42731268
C -2.47922337 2.26470288 0.69599617
C -0.53073938 -3.29228842 1.97219536
C -1.84588299 -3.09948511 1.39789683
C -0.07964063 -2.44366431 2.96444760
C -2.64968781 -2.06743627 1.84136529
C -3.40989475 -1.28148270 0.89257225
C -1.76521551 -3.39677920 -0.01652511
C -2.49007886 -2.64722368 -0.92261857
C -3.33178771 -1.56530889 -0.45695995
C 2.14130652 -2.36607844 1.93265338
C 1.66771004 -3.25643841 0.89367206
C 1.28828318 -1.97031712 2.94445626
C 0.36283396 -3.70939073 0.91239534
C -0.40015799 -3.77328544 -0.31664124
C 2.27224378 -2.84539909 -0.35594330
C 1.54542967 -2.90560320 -1.52887126
C 0.17811862 -3.38066748 -1.50789949
C -2.35377079 -0.90209839 -2.47869952
C -1.88518092 -2.23697949 -2.17172144
C -0.58219682 -2.59544812 -2.45691470
C -1.49702967 0.01303101 -3.05941887
C -2.34776785 1.78574551 -1.59473916
C -3.24573363 0.82557699 -0.98804454
C -3.24882564 -0.48705819 -1.41936854
C -1.49515733 1.38848431 -2.60640703
C 0.32629681 2.70707342 -1.63168735
C -0.56835125 3.12743490 -0.57267807
C -1.87329875 2.67594332 -0.55381047
C -0.12607981 1.86241335 -2.62463499
C 1.97173044 0.59871063 -2.54519034
C 2.44582428 1.48998832 -1.50542317
C 1.64397509 2.52252271 -1.06080448
C 0.71706582 0.78181612 -3.09307631
C 0.31525016 -1.63611119 -3.06529852
C 1.63024853 -1.82787725 -2.49190184
C 2.43862334 -0.73695930 -2.23688546
C -0.13041897 -0.36200165 -3.35965050
C 0.00852923 7.68783175 0.97647837
C 1.30166067 8.19705508 1.29780080
C 2.35876146 7.94008685 0.49043306
C 2.20633956 7.13961839 -0.68507505
C 3.28532965 6.83788891 -1.50784203
C 3.14390839 6.01555147 -2.62006962
C 4.25898528 5.65426671 -3.43976771
C 4.10686475 4.80218388 -4.48177798
C 2.82310624 4.26403150 -4.79167241
C 1.73571595 4.60917037 -4.05946307
C 1.85476185 5.49274240 -2.93953131
C 0.76622299 5.82563038 -2.13726816
C 0.91428743 6.62279915 -1.00558421
C -0.17993539 6.93465732 -0.13541830
H -0.82513053 7.91085544 1.63064200
H 1.43031106 8.79083582 2.19370810
H 3.34260144 8.32949232 0.72549018
H 4.26201928 7.24185475 -1.26397089
H 5.23014334 6.07061442 -3.19996099
H 4.95942219 4.52157649 -5.08659316
H 2.72704540 3.57263721 -5.61886661
H 0.76215389 4.19964051 -4.29902432
H -0.21345036 5.43105187 -2.38618869
H -1.16352427 6.54694812 -0.37514122
|
optimized_conformer_104.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.25155307 0.19941748 2.68144062
C 3.14792157 -0.23056580 1.62831603
C 1.36547784 -0.69907439 3.24353836
C 3.11561350 -1.53819813 1.18488615
C 3.20468588 -1.82574987 -0.23086753
C 3.27067099 0.85218723 0.67522272
C 3.35336655 0.57906431 -0.67618888
C 3.32073249 -0.79176420 -1.13941044
C -0.40649534 0.99505438 3.24705509
C 0.52326207 1.93530192 2.65725532
C 0.00652477 -0.29182824 3.53257158
C 1.82041691 1.54777288 2.38023878
C 2.44984977 1.95124648 1.13963067
C -0.20668053 2.74634716 1.70473967
C 0.39229896 3.12606822 0.52079800
C 1.75264002 2.72354388 0.23219768
C -2.10981670 -1.19257511 2.68723993
C -2.54189305 0.15600081 2.38619502
C -0.86608084 -1.41067079 3.24725918
C -1.71092010 1.22538810 2.65968069
C -1.58919648 2.30893486 1.70677339
C -3.29112791 0.11978381 1.14797867
C -3.17660129 1.15357557 0.23851104
C -2.30498816 2.27430308 0.52539099
C -0.50695487 -3.33801791 1.77879489
C -1.80967706 -3.10846923 1.19179742
C -0.04621516 -2.50971232 2.78327712
C -2.59353898 -2.06162679 1.63524042
C -3.32384379 -1.25088171 0.68398654
C -1.72038684 -3.39627760 -0.22372716
C -2.41618679 -2.62266274 -1.13186626
C -3.23717864 -1.52509118 -0.66700285
C 2.18737433 -2.47900695 1.77516449
C 1.70356045 -3.34856207 0.72384963
C 1.33320135 -2.07027072 2.78079031
C 0.38784316 -3.76841437 0.72560871
C -0.36220539 -3.80400318 -0.51212845
C 2.33215492 -2.94463399 -0.51624670
C 1.61717385 -2.97856667 -1.69763160
C 0.23797052 -3.41830371 -1.69479698
C -2.22100939 -0.87112471 -2.67393705
C -1.78850333 -2.21882296 -2.37198948
C -0.49210123 -2.60833851 -2.64682331
C -1.33428058 0.02621364 -3.23621280
C -2.15724155 1.80810368 -1.76744077
C -3.08599900 0.86602815 -1.17800655
C -3.11667511 -0.44194836 -1.62013571
C -1.30314332 1.39764607 -2.77254071
C 0.53838427 2.66980682 -1.77187290
C -0.35810603 3.09411953 -0.71805265
C -1.67389505 2.67773929 -0.71584721
C 0.07608361 1.83884440 -2.77426661
C 2.14030822 0.52016769 -2.67914586
C 2.62396724 1.39082494 -1.62825987
C 1.84275664 2.43970715 -1.18508415
C 0.89682514 0.74004277 -3.23873085
C 0.43596478 -1.66759592 -3.23748457
C 1.73947182 -1.89655955 -2.65125850
C 2.57188467 -0.82865604 -2.37802150
C 0.02524712 -0.38034579 -3.52443988
C 2.98774744 6.36117225 -0.75151570
C 2.97143667 6.88832257 -2.07655034
C 1.79652826 7.18638949 -2.68144514
C 0.55180042 6.96076121 -2.01446192
C -0.66684677 7.19528627 -2.64039968
C -1.87229119 6.93152467 -2.00140779
C -3.12654680 7.11449525 -2.66247191
C -4.29045408 6.82064901 -2.03536133
C -4.28448543 6.32688487 -0.69683061
C -3.11545729 6.14633517 -0.03291220
C -1.86262508 6.44033690 -0.66086524
C -0.64282033 6.22592345 -0.02689551
C 0.56548314 6.45503310 -0.67970830
C 1.82976751 6.16486488 -0.07391883
H 3.93815508 6.11944705 -0.29264353
H 3.90754154 7.04748521 -2.59663755
H 1.77764349 7.59596781 -3.68501438
H -0.67874277 7.57023778 -3.65845634
H -3.12188695 7.48048621 -3.68262012
H -5.23402441 6.95293901 -2.54912371
H -5.22706422 6.09485594 -0.21694421
H -3.11284105 5.76953237 0.98352818
H -0.63013453 5.84060036 0.98727891
H 1.84592588 5.76585908 0.93296409
|
optimized_conformer_105.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.25072111 0.24590160 2.78495873
C 3.15218361 -0.24774236 1.76464849
C 1.33503325 -0.60832102 3.36798014
C 3.09675105 -1.57151430 1.37432186
C 3.20167083 -1.92097226 -0.02659824
C 3.31574439 0.79206899 0.77074791
C 3.41719428 0.46010701 -0.56663307
C 3.35829457 -0.92870715 -0.97422707
C -0.39316270 1.12475509 3.27306276
C 0.56688115 2.01966453 2.66173139
C -0.01735971 -0.15861202 3.61774625
C 1.85871864 1.59172665 2.42333249
C 2.51729822 1.92987556 1.17825865
C -0.12960402 2.80865157 1.66679875
C 0.49739472 3.13267513 0.47993038
C 1.85306373 2.68344458 0.22971594
C -2.14118896 -1.04492269 2.77672958
C -2.53521834 0.29987755 2.41405857
C -0.91200082 -1.26809916 3.36464291
C -1.68149720 1.35898245 2.65509970
C -1.51971197 2.39960653 1.66276217
C -3.26620323 0.22943733 1.16731135
C -3.11289823 1.22182963 0.21916807
C -2.21994636 2.33294848 0.47378950
C -0.57639856 -3.26495223 1.98297935
C -1.86518558 -3.03080712 1.36776757
C -0.11210390 -2.40422304 2.95838697
C -2.62888846 -1.94662123 1.75463390
C -3.32347220 -1.15853350 0.75953998
C -1.76097599 -3.37922552 -0.03326387
C -2.42405463 -2.62756022 -0.98329660
C -3.22357066 -1.49166182 -0.57687470
C 2.13694554 -2.46506987 1.98678450
C 1.64942343 -3.36733064 0.96515085
C 1.27670739 -1.99583553 2.96025257
C 0.32433612 -3.75746105 0.96210504
C -0.40804774 -3.82915614 -0.28429560
C 2.30758984 -3.03138672 -0.27950438
C 1.60948962 -3.09790325 -1.46969230
C 0.22016665 -3.50656192 -1.47153113
C -2.16199076 -0.94442992 -2.59127400
C -1.76736362 -2.28949821 -2.22853758
C -0.47667500 -2.71956775 -2.46683536
C -1.24717714 -0.09060880 -3.17721144
C -2.04941757 1.76939624 -1.79571483
C -3.00770035 0.87347449 -1.18267706
C -3.06174971 -0.45150680 -1.57050600
C -1.19069281 1.29709348 -2.76934377
C 0.66592853 2.56034686 -1.78697101
C -0.23620851 3.05643158 -0.76657616
C -1.56163925 2.67171432 -0.77137437
C 0.20081191 1.70300739 -2.76426325
C 2.23331989 0.34582708 -2.58561727
C 2.72140130 1.24757869 -1.56226735
C 1.95710077 2.33147390 -1.17257197
C 1.00262773 0.56874599 -3.17239611
C 0.48207552 -1.82405863 -3.07992832
C 1.77132689 -2.05749021 -2.46333525
C 2.62678573 -0.99959281 -2.22207447
C 0.10703624 -0.54095115 -3.42682916
C -2.04659644 5.02381059 -4.63706865
C -3.12536247 5.89756765 -4.31033664
C -3.02763640 6.74641003 -3.25869372
C -1.85492336 6.76431249 -2.44017955
C -1.76017177 7.56919622 -1.31017504
C -0.63641334 7.54135139 -0.49143268
C -0.55234418 8.31895340 0.70659515
C 0.53312063 8.23597144 1.51386228
C 1.62465224 7.38189322 1.17395307
C 1.59306846 6.64413333 0.03670930
C 0.45777248 6.69051373 -0.83468055
C 0.37122518 5.90291881 -1.97762567
C -0.76745121 5.90394709 -2.77714001
C -0.90368034 5.03705546 -3.90735235
H -2.15140442 4.35387041 -5.48086307
H -4.02510602 5.87456430 -4.91210190
H -3.84075024 7.41932090 -3.01166271
H -2.59206865 8.21482166 -1.04879838
H -1.38253993 8.96847471 0.95910716
H 0.58138528 8.81443000 2.42824639
H 2.48219648 7.33338376 1.83364351
H 2.42468904 5.99939577 -0.22616694
H 1.19572830 5.24726657 -2.23627410
H -0.07926413 4.38097543 -4.16013064
|
optimized_conformer_106.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.27713071 0.34696032 2.72486148
C 3.19119336 -0.06445610 1.68041886
C 1.43407237 -0.57876283 3.30861139
C 3.21840451 -1.38130220 1.26617844
C 3.31895888 -1.69550667 -0.14266524
C 3.26504073 1.00150881 0.70366827
C 3.36229997 0.70293647 -0.64113690
C 3.38965557 -0.67776322 -1.07337641
C -0.41045049 1.03405560 3.27542530
C 0.47468411 2.00447613 2.66493855
C 0.05864964 -0.22632199 3.58843850
C 1.78654078 1.66807141 2.39417564
C 2.39808181 2.07370903 1.14509927
C -0.29094374 2.76202922 1.69654543
C 0.29190720 3.14854438 0.50491727
C 1.66935433 2.79756637 0.22251068
C -2.01704663 -1.23977484 2.76795879
C -2.50880021 0.08138786 2.43898626
C -0.76379611 -1.38905953 3.32912549
C -1.72388644 1.19160982 2.68568849
C -1.64926581 2.25825111 1.71040423
C -3.25772371 -0.01578823 1.20354095
C -3.18760907 1.00069853 0.27127041
C -2.36217099 2.16068030 0.53122560
C -0.32101694 -3.33138595 1.90406876
C -1.63428974 -3.17419167 1.31540616
C 0.10363208 -2.46039029 2.88833297
C -2.46296863 -2.15303092 1.73653022
C -3.22934512 -1.39649081 0.76857860
C -1.53353597 -3.48760864 -0.09429060
C -2.26345248 -2.76630835 -1.01862268
C -3.13246320 -1.69633783 -0.57666512
C 2.33390233 -2.35010244 1.87813872
C 1.88756303 -3.26275749 0.84676754
C 1.46249233 -1.95955423 2.87577871
C 0.59179332 -3.74132660 0.85831309
C -0.15753569 -3.83700311 -0.37654043
C 2.49747452 -2.85820669 -0.40200385
C 1.78375583 -2.94867011 -1.58066103
C 0.42583707 -3.45014288 -1.56693587
C -2.14580882 -1.04144410 -2.59990529
C -1.65313222 -2.36168948 -2.26822897
C -0.33995279 -2.69654958 -2.53576044
C -1.30166126 -0.11719798 -3.18599792
C -2.19813949 1.65487539 -1.75093035
C -3.08616388 0.68650353 -1.13974415
C -3.06117251 -0.63018447 -1.55465335
C -1.32846819 1.26428796 -2.75104717
C 0.45761273 2.63676461 -1.77814939
C -0.45448585 3.04072811 -0.72973563
C -1.74916895 2.56210524 -0.71638715
C 0.03140669 1.76688262 -2.76356665
C 2.15160946 0.54557878 -2.64133034
C 2.59740328 1.45986901 -1.61022844
C 1.77147672 2.48316080 -1.18873208
C 0.89868007 0.69485725 -3.20408852
C 0.54447842 -1.72769343 -3.14727862
C 1.85701318 -1.88316722 -2.55666834
C 2.64260849 -0.77479563 -2.30941666
C 0.07562141 -0.46850110 -3.46437854
C -2.88494887 6.33080944 1.51252776
C -2.00815928 7.38535970 1.90395848
C -1.08476351 7.86842362 1.03854132
C -0.95266953 7.31466884 -0.27344172
C 0.03659003 7.73928758 -1.15400974
C 0.19012022 7.15923017 -2.40858643
C 1.24591013 7.53896402 -3.29723815
C 1.40862953 6.91617508 -4.48989883
C 0.51219992 5.88296176 -4.89475845
C -0.51558215 5.51026460 -4.09278035
C -0.70848682 6.12609713 -2.81468771
C -1.71186144 5.71780173 -1.94248555
C -1.84160959 6.27259127 -0.67311667
C -2.81417857 5.80341318 0.26557969
H -3.61489785 5.96703719 2.22434184
H -2.08994043 7.79781437 2.90151452
H -0.42187243 8.67550734 1.32828446
H 0.71925114 8.52267054 -0.84354927
H 1.92296931 8.32674066 -2.98912079
H 2.22324910 7.19309410 -5.14777791
H 0.65910129 5.40509478 -5.85531468
H -1.20167289 4.72934817 -4.40158598
H -2.38636133 4.92216293 -2.24042486
H -3.48685054 5.01014526 -0.03914058
|
optimized_conformer_107.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 1.37248154 0.70616030 2.99266930
C 2.57025302 0.34290130 2.26863192
C 0.46695907 -0.27122440 3.34793126
C 2.80857956 -0.97463187 1.93494646
C 3.31134992 -1.31186558 0.61763450
C 2.81453374 1.38571701 1.29505660
C 3.25639788 1.06383678 0.02955119
C 3.52535248 -0.31243877 -0.31449208
C -1.39406273 1.16354167 2.65068345
C -0.45245066 2.19738308 2.30256845
C -0.95194706 -0.03092877 3.18442714
C 0.90786283 1.98019750 2.48046652
C 1.80923753 2.39458414 1.44301686
C -0.94781263 2.98621947 1.21661065
C -0.00270072 3.68968594 0.44022361
C 1.33509906 3.13406251 0.35987190
C -2.62372752 -1.25015090 1.89382203
C -3.08972466 0.00566936 1.34412471
C -1.57434971 -1.26925642 2.78918194
C -2.46899387 1.19883357 1.69270141
C -2.23220720 2.26861544 0.72929311
C -3.49761701 -0.23448049 -0.01488382
C -3.30158086 0.74804132 -0.95706739
C -2.68487975 2.01059753 -0.58061994
C -0.59974138 -3.21906358 1.67379368
C -1.70495736 -3.20697712 0.73898244
C -0.54067957 -2.27790908 2.68296132
C -2.70127767 -2.25477678 0.85221763
C -3.23967225 -1.62662207 -0.33041760
C -1.18752936 -3.55762608 -0.56571647
C -1.68948662 -2.94199301 -1.69601018
C -2.74197880 -1.96248514 -1.57437343
C 1.86939683 -2.00239743 2.33020383
C 1.80410525 -2.98009759 1.26537040
C 0.72228621 -1.65778537 3.02138680
C 0.59934598 -3.57597094 0.94584696
C 0.23606858 -3.78383858 -0.43967122
C 2.69727377 -2.55337309 0.20834719
C 2.35228211 -2.75206394 -1.11620684
C 1.09258731 -3.38650647 -1.44790587
C -1.27380464 -1.26246602 -3.27847041
C -0.79223022 -2.51610420 -2.75085509
C 0.56624193 -2.74051589 -2.63172223
C -0.38048562 -0.28577171 -3.66828343
C -1.92557342 1.43748024 -2.76055164
C -2.81505060 0.37288848 -2.28514139
C -2.51163104 -0.93003070 -2.55870496
C -0.62966298 1.13184379 -3.38161257
C 0.69737217 2.92085492 -2.10721326
C -0.62505993 2.84705661 -1.38355035
C -1.91196487 2.36969014 -1.78239387
C 0.58544335 1.77139450 -3.10533367
C 2.63861452 0.73586007 -2.21070671
C 2.68780335 1.72317917 -1.11873570
C 1.72886371 2.69114813 -0.98216539
C 1.62597800 0.74726712 -3.13987220
C 1.49567547 -1.70885359 -3.02762651
C 2.59310329 -1.71360043 -2.08909308
C 3.15134592 -0.51037592 -1.69320988
C 1.03284022 -0.51317390 -3.54005498
C 0.50329885 4.49082541 -2.07934178
C -0.24034664 4.92854945 -3.29645767
C -1.52185383 5.28012909 -3.30354340
C -2.30482525 5.46273642 -2.07957414
C -3.54748621 6.02838660 -2.13371456
C -4.28573613 6.30115317 -0.95863304
C -5.60537473 6.81327624 -0.99260905
C -6.28933318 7.04756117 0.16560801
C -5.68157135 6.79506625 1.41535283
C -4.40402760 6.31513523 1.47414089
C -3.67765059 6.04648358 0.28903601
C -2.38460750 5.46207283 0.32449700
C -1.72821107 5.11409661 -0.82065805
C -0.48003639 4.27779393 -0.85020196
H 1.42311525 5.05901642 -1.92409431
H 0.31810561 4.87934530 -4.22436136
H -2.01317917 5.51637238 -4.24026578
H -3.97605403 6.28097431 -3.09746716
H -6.06615025 7.00152627 -1.95534412
H -7.30408644 7.42176757 0.12918807
H -6.23419650 6.98030476 2.32736768
H -3.93509053 6.11463571 2.43025940
H -1.95930635 5.24548310 1.29535678
H -0.44676045 2.05284588 -0.66080005
|
optimized_conformer_108.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.78911372 -0.14614401 2.73294315
C 3.51048943 -0.33515231 1.49286713
C 2.01529061 -1.17007601 3.24262503
C 3.42706249 -1.53693375 0.81758579
C 3.29452427 -1.54930272 -0.62308155
C 3.46533199 0.91065819 0.75698637
C 3.34271409 0.90050937 -0.61684220
C 3.25631229 -0.35721089 -1.32305014
C 0.25063103 0.42256536 3.84296510
C 1.06351977 1.49774702 3.31124889
C 0.71408883 -0.87795379 3.80780015
C 2.30106118 1.21853925 2.76545977
C 2.71723907 1.86986904 1.54185801
C 0.18440468 2.45226269 2.66541387
C 0.59148692 3.09285496 1.49809113
C 1.87967799 2.77541394 0.91801709
C -1.50300080 -1.68405868 3.13769888
C -1.98624523 -0.32162447 3.17173862
C -0.18340010 -1.95412779 3.44629431
C -1.13008729 0.70700653 3.51637664
C -1.16434857 1.96263603 2.79148898
C -2.93114422 -0.15814704 2.08242474
C -2.96273175 1.03666366 1.37676893
C -2.06105424 2.12455856 1.74129229
C -0.04414232 -3.55546485 1.59895933
C -1.42681107 -3.26764939 1.27222113
C 0.56300237 -2.91415870 2.66065916
C -2.14032001 -2.35440731 2.02318571
C -3.02752890 -1.40949707 1.37470457
C -1.55636520 -3.27411471 -0.16823806
C -2.39466362 -2.36734863 -0.79001255
C -3.16951208 -1.42635108 -0.00926255
C 2.61365833 -2.60982932 1.35183133
C 1.97697372 -3.28529942 0.23946557
C 1.92279488 -2.42939193 2.53386322
C 0.67923004 -3.74480699 0.35964646
C -0.25572194 -3.57116406 -0.73281724
C 2.39932857 -2.62981641 -0.98029021
C 1.50835757 -2.46910438 -2.02379802
C 0.15150149 -2.95245019 -1.89684363
C -2.45776449 -0.34929062 -1.99471592
C -1.96097995 -1.69957612 -1.99998825
C -0.72341147 -1.99526671 -2.54758528
C -1.69199626 0.66403633 -2.53933051
C -2.07124847 1.92496154 -0.57889181
C -3.09774625 0.98348916 -0.05118177
C -3.24485192 -0.18871551 -0.74302931
C -1.75535288 2.13351714 -2.05525480
C 0.36362730 3.05826916 -0.87030583
C -0.33984973 3.29139162 0.42344106
C -1.60238462 2.77839991 0.55362604
C -0.23269254 2.46900091 -1.97581732
C 1.82590451 1.17798730 -2.37494099
C 2.45636569 1.84343086 -1.27591861
C 1.73151508 2.75395422 -0.52633269
C 0.50309760 1.46813107 -2.69082013
C 0.08107500 -0.93319942 -3.07093235
C 1.46437145 -1.21787273 -2.75105749
C 2.31411466 -0.18820844 -2.40905145
C -0.39237107 0.37432074 -3.04477907
C -3.36042242 2.38359179 -3.93185376
C -4.35895683 3.05151743 -4.69802158
C -4.72948223 4.31116340 -4.38548137
C -4.08489017 5.00511202 -3.31393718
C -4.43817773 6.31479344 -3.00749015
C -3.76259602 7.05053433 -2.03860683
C -4.05905158 8.42144070 -1.75909284
C -3.31817147 9.12064201 -0.86342541
C -2.25208605 8.49268192 -0.15745960
C -1.95715050 7.18855555 -0.38101595
C -2.69331106 6.42555108 -1.33902452
C -2.36337549 5.10165342 -1.62146724
C -3.03679863 4.35673172 -2.58133936
C -2.71632387 2.97829846 -2.89112189
H -3.13869442 1.35682400 -4.18845537
H -4.81881771 2.52133123 -5.52158804
H -5.49929559 4.82527319 -4.94846245
H -5.24735065 6.77932161 -3.56072545
H -4.86711618 8.90239372 -2.29691728
H -3.52635927 10.16721607 -0.68427954
H -1.67249276 9.06655593 0.55436780
H -1.15004426 6.70492849 0.15607133
H -1.53087335 4.67681579 -1.08937584
H -1.24775705 1.19349827 -0.40306084
|
optimized_conformer_109.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 1.98156476 -0.13406372 3.12158642
C 3.01860111 -0.58221982 2.21853722
C 0.90849744 -0.95457847 3.39368772
C 2.92334848 -1.82512146 1.61997690
C 3.25765947 -1.98217274 0.22108974
C 3.45335174 0.56036739 1.44890956
C 3.77120039 0.41015769 0.11498279
C 3.67097271 -0.88905914 -0.51364445
C -0.61839874 0.96361815 3.22897987
C 0.51465282 1.84973084 2.98910271
C -0.42273694 -0.39101948 3.45199943
C 1.78512738 1.28850470 2.91390226
C 2.68738292 1.71375415 1.88892107
C 0.11161558 2.93104132 2.13507320
C 0.96485451 3.26733597 1.07653079
C 2.27206403 2.66674395 0.97180017
C -2.41293398 -0.87899522 2.13541986
C -2.67276153 0.53532361 1.94392556
C -1.33934627 -1.33007300 2.88732245
C -1.73992392 1.42062016 2.48006387
C -1.41496155 2.80575890 1.93443692
C -3.32818685 0.66344355 0.59424383
C -3.21021644 1.79735610 -0.18429921
C -1.52122170 2.73919134 0.44698858
C -0.92731975 -3.16202348 1.30780660
C -2.05240591 -2.70035433 0.52552450
C -0.58377387 -2.49581821 2.46555960
C -2.77638708 -1.59710843 0.93778710
C -3.23270382 -0.62853165 -0.02116040
C -1.72263478 -2.85840724 -0.87030735
C -2.13020206 -1.90196569 -1.78381939
C -2.91557091 -0.77180236 -1.35864317
C 1.79472617 -2.68409900 1.90737777
C 1.43144901 -3.37167958 0.68611158
C 0.80907464 -2.25835604 2.77688514
C 0.10261716 -3.60646417 0.39312657
C -0.38842537 -3.41566035 -0.95501365
C 2.33526043 -2.93680787 -0.35668668
C 1.86877142 -2.75424434 -1.64360270
C 0.47509673 -2.99987999 -1.95023594
C -1.42253149 -0.04530604 -3.00643094
C -1.22318328 -1.46157443 -2.81976949
C 0.04668121 -2.00080595 -2.90608058
C -0.35259373 0.76743440 -3.29943792
C -1.26600385 2.50588917 -1.80907824
C -2.48242944 1.65246475 -1.52937930
C -2.47438490 0.39716311 -2.10173980
C -0.26488332 2.06616995 -2.66641519
C 1.54458300 3.00169702 -1.23475456
C 0.53884454 3.50885596 -0.34785991
C -0.74720632 3.23333948 -0.66229924
C 1.14245585 2.32004584 -2.37708659
C 2.97839652 0.72280134 -2.06702394
C 3.34784654 1.40451411 -0.84681924
C 2.63343551 2.51114788 -0.42962347
C 1.89792824 1.16607953 -2.81026177
C 1.17397456 -1.14300902 -3.19463154
C 2.30195449 -1.60827752 -2.41397514
C 3.18073531 -0.69721498 -1.86197367
C 0.97936077 0.21028935 -3.38832483
C -2.75984873 3.63036700 1.91148249
C -2.43131846 5.08492207 2.01028223
C -2.43410677 5.94595980 0.99952678
C -2.96344420 5.59778395 -0.31925358
C -3.10543115 6.54322997 -1.29722328
C -3.75155195 6.24495922 -2.52179229
C -3.85570149 7.17449647 -3.58381216
C -4.51277655 6.84495941 -4.73524666
C -5.11621078 5.57613767 -4.87751536
C -5.02933122 4.66125116 -3.86862514
C -4.33192433 4.96925553 -2.67756866
C -4.14973631 3.99978536 -1.66308087
C -3.41541550 4.26273278 -0.54255538
C -3.01156449 3.16948959 0.40817528
H -3.46205606 3.31737277 2.68479423
H -2.09105029 5.39891872 2.99056875
H -2.11804492 6.97007617 1.16313861
H -2.72187256 7.54494947 -1.13200323
H -3.39764083 8.14889384 -3.46990397
H -4.58087253 7.55963504 -5.54445640
H -5.63683205 5.32797096 -5.79286535
H -5.47828890 3.67957802 -3.96545287
H -4.57094269 3.01735400 -1.83396577
H -1.31426541 1.68065783 0.28367990
|
optimized_conformer_11.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.17273788 0.28082039 2.58220348
C 3.13026235 -0.13744200 1.55545801
C 1.24707853 -0.67932155 3.03620746
C 3.10784372 -1.42089398 1.05066584
C 3.29114269 -1.65356997 -0.37110011
C 3.33477867 0.97593203 0.67347485
C 3.48651117 0.76184842 -0.68845958
C 3.47403140 -0.58813205 -1.22079548
C -0.51959402 0.98544076 2.97546107
C 0.41557614 2.13304937 2.67957642
C -0.13115899 -0.29768504 3.26396569
C 1.81779153 1.64194879 2.35969540
C 2.50014676 2.06164950 1.16049581
C -0.16062844 2.65531594 1.41603001
C 0.47899450 3.22314525 0.40263658
C 1.87238422 2.85848408 0.19942400
C -2.19313564 -1.13561790 2.25533136
C -2.58408581 0.21803402 1.98300304
C -0.98439752 -1.38790527 2.87882985
C -1.73705612 1.23785605 2.33173836
C -1.62340285 2.55452370 1.59694214
C -3.25831524 0.26651087 0.69972391
C -3.08281350 1.37858723 -0.14259643
C -2.27323173 2.49105244 0.23244502
C -0.54110458 -3.23602916 1.34788121
C -1.81188256 -2.96712653 0.68972284
C -0.13781024 -2.46002880 2.41275298
C -2.61346126 -1.93949963 1.13174085
C -3.27687964 -1.06245625 0.17911934
C -1.63229490 -3.18341435 -0.72696976
C -2.27331946 -2.36498378 -1.64337141
C -3.10005390 -1.28026862 -1.18199995
C 2.14636351 -2.38048605 1.53030684
C 1.73052424 -3.20568291 0.42772988
C 1.24118305 -2.01250514 2.51902578
C 0.41029174 -3.61552900 0.32987429
C -0.26409402 -3.59009383 -0.94842272
C 2.43122126 -2.75012640 -0.75651993
C 1.78619465 -2.72567149 -1.97700521
C 0.40857656 -3.15111314 -2.07569551
C -1.97062242 -0.54973939 -3.09223842
C -1.56679526 -1.91274253 -2.82436137
C -0.25855985 -2.29866575 -3.03441550
C -1.05212413 0.36200721 -3.55996432
C -1.96517685 2.08682476 -2.06659837
C -2.91727792 1.13112790 -1.57188687
C -2.92476240 -0.15757992 -2.06888853
C -1.04163552 1.70932982 -3.02494099
C 0.74057726 2.91534031 -1.85466604
C -0.21314345 3.29250080 -0.87581684
C -1.55633800 2.91215667 -0.93987966
C 0.33618819 2.12701481 -2.92803654
C 2.39336565 0.80191211 -2.76124220
C 2.82492118 1.60905071 -1.64982819
C 2.01814214 2.64720494 -1.19522195
C 1.17828731 1.05758295 -3.38797888
C 0.70911262 -1.33831444 -3.52607163
C 1.97276089 -1.60248300 -2.87216121
C 2.80003684 -0.56057019 -2.50442988
C 0.32250563 -0.03982264 -3.78482567
C -0.35697503 3.05819228 4.97915727
C -0.23489795 3.36688988 3.52582519
C -1.63113593 3.63364352 2.77852502
C -2.88370685 3.45822550 3.59673226
C -4.09370745 3.56762959 2.97412336
C -5.30210720 3.27175428 3.64622150
C -6.55514507 3.30834056 2.98745183
C -7.69931199 2.98056653 3.65401249
C -7.64730025 2.61159966 5.01767905
C -6.45346170 2.57440850 5.67815420
C -5.24683495 2.89231615 5.00611987
C -3.98526434 2.81315536 5.63974042
C -2.82252880 3.06665844 4.95961370
C -1.51904080 2.91917261 5.61168240
H 0.57189790 2.92675392 5.52397990
H 0.41438650 4.23015747 3.37894005
H -1.60389951 4.63045912 2.33910322
H -4.13676914 3.84591223 1.92494805
H -6.58175528 3.58415696 1.94033749
H -8.64962877 2.99888185 3.13667913
H -8.56231815 2.35961400 5.53632891
H -6.40872658 2.29212206 6.72347882
H -3.94229353 2.52254429 6.68401239
H -1.53005877 2.67497977 6.66780035
|
optimized_conformer_110.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.45395701 0.71129957 2.64488581
C 3.35308125 0.33615847 1.59147474
C 1.73304291 -0.26089311 3.31518829
C 3.51643647 -0.99693461 1.26074259
C 3.61887667 -1.39389763 -0.12762977
C 3.24546204 1.33700377 0.54603679
C 3.36784980 0.95495666 -0.76476333
C 3.56200801 -0.43592473 -1.11803932
C -0.25028794 1.14756461 3.29269198
C 0.49950506 2.16937023 2.59649652
C 0.34248481 -0.03722020 3.63317982
C 1.80498342 1.94602989 2.24528820
C 2.25481471 2.32299373 0.93096639
C -0.37138889 2.83215136 1.67274383
C 0.05217163 3.32747584 0.43923160
C 1.40426367 2.95279119 -0.00161249
C -1.66260328 -1.31177067 2.96175539
C -2.32011006 -0.06247323 2.58299148
C -0.37761285 -1.29722702 3.46497849
C -1.60328628 1.17462408 2.76424925
C -1.68261866 2.20081582 1.84606868
C -3.03127100 -0.29015173 1.40588454
C -2.92710370 0.71900103 0.32901870
C -2.54747444 2.10948842 0.71545316
C 0.22703794 -3.26288042 2.13790719
C -1.11211195 -3.26454619 1.58938226
C 0.58448089 -2.28929525 3.05140864
C -2.03106652 -2.32062939 1.99418863
C -2.88070974 -1.67930914 1.01079466
C -1.01950786 -3.63205493 0.19224163
C -1.83815930 -3.01375886 -0.73887315
C -2.76801974 -1.99052948 -0.32234573
C 2.76044311 -2.01234415 1.95655326
C 2.38357732 -3.03149977 0.99775253
C 1.88305935 -1.65135493 2.95976004
C 1.14432807 -3.63834765 1.08419480
C 0.37015738 -3.87652160 -0.11700157
C 2.91536683 -2.64729012 -0.29144027
C 2.18125748 -2.88197490 -1.44066903
C 0.87727222 -3.50703336 -1.34818897
C -1.93687379 -1.38578122 -2.41698039
C -1.31347982 -2.63613138 -2.02775602
C 0.01336186 -2.88412322 -2.32318793
C -1.19084481 -0.41271824 -3.05688402
C -2.51514581 1.40365316 -2.06367443
C -3.03575397 0.36734339 -1.15551460
C -2.85349965 -0.98237165 -1.39441428
C -1.39901290 1.00661614 -2.84325688
C 0.47519060 2.70207293 -2.27018121
C -1.07033250 3.66664394 -0.49551525
C -2.30383849 2.92464476 -0.31142804
C 0.01639405 1.60130186 -3.00413450
C 2.18166184 0.56239285 -2.71173218
C 2.51344735 1.56754742 -1.74034181
C 1.60653870 2.57981127 -1.41088166
C 0.90816395 0.53822606 -3.25422863
C 0.78182834 -1.88317738 -3.02192067
C 2.12533525 -1.87742149 -2.47824613
C 2.80609144 -0.68286765 -2.32107203
C 0.18717746 -0.69401337 -3.37420850
C -0.63288030 3.56848277 -2.05699890
C -1.33026077 4.74704556 -1.52284412
C -2.73341682 4.33842262 -2.11751897
C -4.16051169 4.60734234 -1.68856602
C -5.11503301 5.56332935 -1.71962469
C -6.47044792 5.12479588 -1.59701203
C -7.54011011 6.04431449 -1.70618401
C -8.84040286 5.62488873 -1.68868122
C -9.13895342 4.25595867 -1.54556212
C -8.12861966 3.34456234 -1.41968477
C -6.77213901 3.74311220 -1.44964077
C -5.72570944 2.76940060 -1.39117507
C -4.46177940 3.23443235 -1.51021685
C -3.00835050 2.81611512 -1.61575159
H -1.33910690 3.15246251 -2.73539774
H -0.98230691 5.76754561 -1.43597097
H -2.67471059 4.44154792 -3.20311212
H -4.90105658 6.60916255 -1.90436468
H -7.30547443 7.09555403 -1.82254810
H -9.64433011 6.34125360 -1.79365846
H -10.17000094 3.92796687 -1.54235273
H -8.35133649 2.28967807 -1.31693969
H -5.97354241 1.71969512 -1.29471203
H -1.82025104 0.46382219 0.24473017
|
optimized_conformer_111.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.80856148 0.05084627 2.63239490
C 3.56503559 -0.08773824 1.40635144
C 2.07824094 -1.01799899 3.11909720
C 3.54213396 -1.28414113 0.71265081
C 3.43250836 -1.28225578 -0.72966618
C 3.48143365 1.16753989 0.68791495
C 3.37001108 1.16991156 -0.68797844
C 3.34947990 -0.08526745 -1.41300505
C 0.21161162 0.46913517 3.68425728
C 0.96580285 1.57787709 3.14857945
C 0.76216071 -0.80321467 3.67205271
C 2.24338918 1.38128281 2.65665519
C 2.66478063 2.07563814 1.46144689
C 0.05173589 2.44988202 2.45968367
C 0.46043922 3.13307616 1.34227467
C 1.79962972 2.94702839 0.82791779
C -1.39168957 -1.74332394 3.01486406
C -1.97749226 -0.42748540 3.08039765
C -0.06177274 -1.93177456 3.31082710
C -1.18038996 0.67270454 3.37862730
C -1.30492265 1.88646167 2.59946296
C -3.02543584 -0.32231537 2.13172379
C -3.25467298 0.92142908 1.52878109
C -2.26274015 1.99782806 1.61813476
C 0.15571435 -3.46052178 1.41575659
C -1.23657559 -3.23244569 1.08956979
C 0.73139667 -2.82997705 2.50218149
C -1.99975450 -2.42141689 1.89841249
C -3.04254324 -1.61693519 1.33258891
C -1.37737960 -3.15206646 -0.34621009
C -2.32417952 -2.31512641 -0.94736412
C -3.35096606 -1.70215403 -0.02271029
C 2.77039934 -2.40163286 1.21744879
C 2.17098174 -3.07822300 0.08657548
C 2.06191467 -2.27478505 2.39656110
C 0.88595934 -3.57989173 0.18169569
C -0.05347822 -3.39592743 -0.90186586
C 2.58528496 -2.39139940 -1.11519196
C 1.70351507 -2.25809763 -2.16770123
C 0.35603357 -2.77825684 -2.05658355
C -2.29894095 -0.28870845 -2.46446040
C -1.84061827 -1.63920935 -2.23179374
C -0.55093635 -1.87188115 -2.71716935
C -1.56236336 0.78575211 -2.90906271
C -2.60260716 2.55358767 -1.10088211
C -3.95136428 0.82534181 0.30613490
C -4.10246789 -0.48232581 -0.52038807
C -1.57075009 2.11392017 -2.18263067
C 0.29547166 3.22682156 -0.96866574
C -0.42996160 3.29515305 0.20209900
C -1.74572073 2.58134697 0.24974225
C -0.27016328 2.54493868 -2.12589742
C 1.89017052 1.38411970 -2.48665647
C 2.46631481 2.08560888 -1.34020826
C 1.70037056 2.96593332 -0.61196443
C 0.59771052 1.61349804 -2.87199398
C 0.25162226 -0.78296740 -3.26127139
C 1.62922083 -1.01449581 -2.89343087
C 2.43367234 0.04996447 -2.52230499
C -0.21801767 0.52195407 -3.32263021
C -2.94117533 0.10881900 -1.24762851
C -5.25745254 -0.14763783 -1.45904477
C -5.51128074 1.08630400 -1.97078780
C -5.08983501 2.59366799 -1.88987098
C -6.14230353 3.39345756 -2.26397000
C -6.09708293 4.80693358 -2.34487847
C -7.22635680 5.56008911 -2.74715264
C -7.15658066 6.92004324 -2.83344758
C -5.95202553 7.59122027 -2.53279083
C -4.84763901 6.88780449 -2.14494380
C -4.90056470 5.47839693 -2.03865035
C -3.79310017 4.69226019 -1.64056037
C -3.84887959 3.33555350 -1.55287716
C -3.30127005 1.36630913 -0.74564354
H -2.07852763 -0.04217253 -0.55566321
H -5.89658950 -0.95089931 -1.80601531
H -6.34995325 1.04215624 -2.65806554
H -7.08660857 2.92633499 -2.51805738
H -8.14318624 5.04017476 -2.99626076
H -8.02387683 7.49086845 -3.13552564
H -5.90675000 8.66876045 -2.61421156
H -3.92094633 7.40111490 -1.91971486
H -2.85904542 5.18257915 -1.38915270
H -1.26552561 1.60163489 0.00534515
|
optimized_conformer_112.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.17294534 0.62000766 2.46196733
C 3.07301029 0.18719271 1.41335152
C 1.29174403 -0.27933195 3.02770504
C 3.05212707 -1.12471238 0.98111006
C 3.14727968 -1.42511544 -0.43199713
C 3.18972243 1.26331603 0.45160246
C 3.27873817 0.97744140 -0.89724725
C 3.25743873 -0.39752198 -1.34870569
C -0.48943190 1.40213590 3.01678070
C 0.43470033 2.34641636 2.41904823
C -0.07169951 0.12078949 3.31280034
C 1.73457912 1.96578162 2.14854164
C 2.36226862 2.36150178 0.90566991
C -0.29931801 3.14322827 1.45849218
C 0.29907810 3.52224803 0.27195953
C 1.66071182 3.12233483 -0.01023094
C -2.17979640 -0.80379053 2.47395349
C -2.61787963 0.54040344 2.15921449
C -0.93623830 -1.00871495 3.03963363
C -1.79338343 1.61752866 2.42372956
C -1.67570237 2.69271119 1.46120075
C -3.36499437 0.48875740 0.91986227
C -3.25319309 1.51435855 0.00095436
C -2.38926102 2.64158138 0.27896455
C -0.55965888 -2.94730712 1.58611088
C -1.86374049 -2.73173890 0.99442662
C -0.10690624 -2.10721219 2.58490170
C -2.65455647 -1.68497221 1.42683287
C -3.38770922 -0.88645207 0.46755978
C -1.76944644 -3.03118991 -0.41885342
C -2.46860903 -2.26949781 -1.33524912
C -3.29680899 -1.17309232 -0.88107045
C 2.13013507 -2.06811432 1.57858798
C 1.65326001 -2.94975414 0.53361294
C 1.27071373 -1.65633453 2.57986973
C 0.34029625 -3.37911454 0.53671873
C -0.40749295 -3.43163629 -0.70186428
C 2.28245691 -2.55304492 -0.70850189
C 1.56875756 -2.60141860 -1.89036897
C 0.19312564 -3.05097449 -1.88630226
C -2.28183789 -0.52947314 -2.89157076
C -1.84093752 -1.87223393 -2.57787437
C -0.54111118 -2.25477495 -2.84692776
C -1.40019158 0.36973623 -3.45971857
C -2.23738465 2.15894771 -2.00918105
C -3.15959053 1.21531223 -1.41292175
C -3.18161708 -0.09727257 -1.84284994
C -1.37853638 1.74529601 -3.00924290
C 0.45172903 3.03678813 -2.01539449
C -0.44843760 3.46859972 -0.96689666
C -1.76162175 3.03996997 -0.96315945
C -0.00273087 2.19575867 -3.01268417
C 2.06996389 0.89262766 -2.90211897
C 2.54513437 1.77471321 -1.85717190
C 1.75521986 2.82150752 -1.42323247
C 0.82576615 1.09860313 -3.46621268
C 0.38120598 -1.31209116 -3.44417739
C 1.68512453 -1.52634984 -2.85260407
C 2.50955970 -0.45022955 -2.58720423
C -0.03789928 -0.03008294 -3.74235302
C -2.38977646 -2.80749278 6.59268316
C -1.22895843 -3.52970080 6.18759005
C -0.04026267 -2.89508889 6.03636278
C 0.07901504 -1.49118084 6.28553987
C 1.28322482 -0.80997829 6.13926835
C 1.36705913 0.56616281 6.33148661
C 2.58153851 1.29367661 6.12681825
C 2.62905223 2.63608085 6.31489944
C 1.46333278 3.35450181 6.71162184
C 0.29076871 2.70316132 6.90025141
C 0.19842031 1.28818469 6.71641553
C -0.99861212 0.60302822 6.88956380
C -1.08757874 -0.76690658 6.67554701
C -2.32102409 -1.47500596 6.82356714
H -3.33045622 -3.33043011 6.71018314
H -1.30776962 -4.59159730 5.99734738
H 0.83936476 -3.43897968 5.71344488
H 2.17141417 -1.35994378 5.84622687
H 3.46272446 0.75193842 5.80498300
H 3.55605065 3.17299919 6.16473841
H 1.51776844 4.42655370 6.85517084
H -0.59904773 3.24715721 7.19174398
H -1.88281854 1.15009989 7.19744983
H -3.20247821 -0.92334431 7.12594628
|
optimized_conformer_113.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.17261901 0.62004859 2.46129957
C 3.07282946 0.18737475 1.41277141
C 1.29161965 -0.27923051 3.02741345
C 3.05169556 -1.12446975 0.98042898
C 3.14728520 -1.42509913 -0.43256305
C 3.18971590 1.26353368 0.45103533
C 3.27866066 0.97757059 -0.89775196
C 3.25722004 -0.39744848 -1.34921767
C -0.48943077 1.40225682 3.01609654
C 0.43466507 2.34636474 2.41816780
C -0.07186042 0.12082250 3.31232201
C 1.73452545 1.96588745 2.14789905
C 2.36233032 2.36176014 0.90514900
C -0.29945214 3.14374849 1.45814874
C 0.29902250 3.52270669 0.27163678
C 1.66067812 3.12266678 -0.01060678
C -2.17995777 -0.80361938 2.47339735
C -2.61801137 0.54066869 2.15879211
C -0.93642123 -1.00861378 3.03904387
C -1.79334738 1.61769843 2.42318458
C -1.67584669 2.69310834 1.46090822
C -3.36547957 0.48911509 0.91957905
C -3.25336612 1.51450746 0.00060078
C -2.38948550 2.64179325 0.27868903
C -0.55986315 -2.94702332 1.58559963
C -1.86397026 -2.73150582 0.99392985
C -0.10695460 -2.10706542 2.58439353
C -2.65473795 -1.68464050 1.42623760
C -3.38813021 -0.88615161 0.46718517
C -1.76973134 -3.03115867 -0.41929223
C -2.46878008 -2.26930236 -1.33561032
C -3.29715876 -1.17293446 -0.88136439
C 2.12998030 -2.06804058 1.57804249
C 1.65290353 -2.94954287 0.53305614
C 1.27068427 -1.65620736 2.57944881
C 0.33996829 -3.37913217 0.53623101
C -0.40781012 -3.43163509 -0.70235489
C 2.28235124 -2.55304600 -0.70900156
C 1.56854313 -2.60128073 -1.89074976
C 0.19280239 -3.05067197 -1.88664032
C -2.28234954 -0.52936962 -2.89194335
C -1.84124535 -1.87211006 -2.57828833
C -0.54138230 -2.25476697 -2.84753877
C -1.40045075 0.36976322 -3.45968692
C -2.23770803 2.15932381 -2.00960696
C -3.15991223 1.21557364 -1.41333097
C -3.18211695 -0.09716762 -1.84316773
C -1.37872398 1.74549958 -3.00945432
C 0.45155967 3.03693630 -2.01571586
C -0.44863749 3.46867604 -0.96712810
C -1.76191354 3.04030885 -0.96340285
C -0.00285773 2.19592060 -3.01308808
C 2.06979583 0.89276861 -2.90268586
C 2.54500195 1.77483769 -1.85761402
C 1.75504839 2.82163855 -1.42355591
C 0.82566186 1.09868684 -3.46672055
C 0.38105500 -1.31221869 -3.44489726
C 1.68498789 -1.52641202 -2.85317974
C 2.50932112 -0.45014396 -2.58766394
C -0.03813513 -0.03013173 -3.74256571
C -2.38918123 -2.80841060 6.59469891
C -1.22752543 -3.53077919 6.19191456
C -0.03923949 -2.89568766 6.03901371
C 0.07927350 -1.49125966 6.28576322
C 1.28328393 -0.80998910 6.14009228
C 1.36694722 0.56595842 6.33186201
C 2.58257050 1.29277418 6.13017855
C 2.63039857 2.63527443 6.31896904
C 1.46404125 3.35443284 6.71312299
C 0.29012209 2.70341525 6.89816148
C 0.19762417 1.28846536 6.71416408
C -0.99974401 0.60361810 6.88512980
C -1.08786411 -0.76672823 6.67388748
C -2.32113352 -1.47497993 6.82218107
H -3.32940853 -3.33239754 6.71293947
H -1.30531944 -4.59338134 6.00417618
H 0.84081239 -3.44011050 5.71767938
H 2.17205528 -1.36010579 5.84895376
H 3.46442465 0.75062510 5.81044805
H 3.55849701 3.17176450 6.17206089
H 1.51931237 4.42653468 6.85711079
H -0.59977818 3.24799302 7.18851454
H -1.88460774 1.15099215 7.19060009
H -3.20284122 -0.92350416 7.12420476
|
optimized_conformer_114.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.35343934 0.34181637 2.59341296
C 3.30557368 -0.15032510 1.61949020
C 1.49383883 -0.53138450 3.21353118
C 3.27257723 -1.47589655 1.23011553
C 3.39171248 -1.81447695 -0.17145269
C 3.50725591 0.88423188 0.64102797
C 3.66876486 0.56291480 -0.69350048
C 3.58509195 -0.81916132 -1.11002146
C -0.29445891 1.17827942 3.15431990
C 0.59178563 2.09630401 2.37303062
C 0.15582865 -0.10345490 3.50980464
C 1.90831677 1.65826119 2.18616028
C 2.68414420 2.01419062 1.01531452
C 0.07422505 3.08563860 1.37416486
C 0.84246725 3.38804160 0.23653726
C 2.15753834 2.83108681 0.04866244
C -2.01701515 -1.12349803 2.92024305
C -2.56247069 0.17691228 2.82754122
C -0.71133468 -1.26775193 3.36107271
C -1.70828723 1.25592052 2.92858696
C -1.34715312 3.17979611 1.17222221
C -3.36136207 0.28496736 1.56071201
C -3.42918618 1.78039401 1.21056846
C -1.97551090 3.33326211 -0.03984574
C -0.40156076 -3.15670986 1.85022094
C -1.68449977 -2.84984573 1.25937913
C 0.09346248 -2.35354319 2.86316401
C -2.45652229 -1.83502070 1.74587728
C -3.17925746 -0.87301273 0.85331017
C -1.59235793 -3.08620782 -0.17383409
C -2.22464685 -2.24051583 -1.05336937
C -2.98359325 -1.05212764 -0.60070618
C 2.31422273 -2.37717821 1.83338369
C 1.80917967 -3.24978495 0.79639578
C 1.47021921 -1.92693829 2.82587008
C 0.47284907 -3.60534886 0.79207042
C -0.27046735 -3.59659372 -0.44982771
C 2.47099523 -2.90025295 -0.44126145
C 1.77095357 -2.92601700 -1.63186863
C 0.36539358 -3.27526099 -1.63035566
C -1.88503591 -0.55184747 -2.60215345
C -1.56439855 -1.91958246 -2.29407791
C -0.30829167 -2.42365789 -2.58056819
C -0.94546369 0.23536882 -3.23473899
C -1.61559896 2.24831583 -2.05308208
C -2.46967756 1.37990151 -1.13983957
C -2.75819902 -0.04505807 -1.52492593
C -0.80484811 1.66506443 -2.96846911
C 1.11095856 2.85044709 -2.02589517
C 0.22021383 3.47643104 -1.07078667
C -1.15704673 3.32249236 -1.19753699
C 0.60667229 1.99516179 -2.99428582
C 2.53950268 0.50189588 -2.74051499
C 3.04760700 1.38215845 -1.71204804
C 2.33963617 2.51100269 -1.35089239
C 1.32417463 0.78858806 -3.33822840
C 0.68538404 -1.57941685 -3.20226244
C 1.96928691 -1.88020223 -2.61245873
C 2.86499535 -0.85631621 -2.36658265
C 0.36647567 -0.27960883 -3.53992079
C -2.04250616 2.04533714 1.75614978
C -4.47518564 2.51126830 1.99979104
C -5.34435658 3.34998882 1.44983638
C -5.41971030 3.58329954 0.00576325
C -6.44837212 4.30686915 -0.53092179
C -6.54104892 4.54091267 -1.92245248
C -7.55473833 5.35399874 -2.48368373
C -7.58252344 5.60074116 -3.82584472
C -6.60448718 5.03702804 -4.67398318
C -5.63006574 4.22925355 -4.16066774
C -5.57283005 3.96385358 -2.77149091
C -4.54079692 3.17620090 -2.20020682
C -4.42725367 3.01953479 -0.84912240
C -3.22046906 2.36305649 -0.22043232
H -1.50095663 1.32042958 1.09505164
H -4.47346056 2.33363146 3.06987673
H -6.05950266 3.87360023 2.07462580
H -7.20892785 4.72481777 0.11999052
H -8.29879827 5.78710786 -1.82556828
H -8.34875530 6.23991632 -4.24384319
H -6.62805700 5.25157807 -5.73428164
H -4.87668731 3.79575029 -4.80791966
H -3.81237428 2.73550481 -2.87045833
H -1.62637923 1.10186431 -0.46745376
|
optimized_conformer_115.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.67010732 0.47857436 2.63852206
C 3.46565753 0.07608755 1.50011244
C 1.83790029 -0.43356957 3.26363129
C 3.40275385 -1.22292056 1.03361344
C 3.41075222 -1.48467985 -0.38656148
C 3.48627192 1.17461667 0.55591531
C 3.48404904 0.93031664 -0.79996242
C 3.47973689 -0.43512098 -1.28736052
C 0.11519389 1.28687710 3.53108906
C 0.96656126 2.22598444 2.83190606
C 0.53235450 -0.01876158 3.71775948
C 2.20776047 1.82961733 2.39952566
C 2.67149550 2.23825614 1.09016772
C 0.12095147 3.03883181 1.97224599
C 0.52096133 3.36301156 0.67779394
C 1.84289611 2.96423046 0.25485558
C -1.67802251 -0.85301084 3.05293173
C -2.12070490 0.50766197 2.95403124
C -0.38877012 -1.10045299 3.44234231
C -1.24140921 1.54178103 3.13784503
C -1.22274714 2.66730568 2.19586850
C -3.18296901 0.55995761 1.95779753
C -3.25519264 1.77027381 1.12093810
C -2.13069144 2.74806994 1.17197374
C -0.28220594 -2.83980506 1.75246190
C -1.64076739 -2.55577524 1.27390885
C 0.32467156 -2.16054862 2.79595726
C -2.36112889 -1.60570745 1.99898298
C -3.41096328 -0.71207995 1.50687337
C -1.64246220 -2.89314890 -0.22111794
C -2.42334951 -2.44559791 -1.31074320
C -3.77494099 -1.77080801 -1.52551475
C 2.48807624 -2.16104228 1.65504451
C 1.89355853 -2.96286210 0.61505970
C 1.71930203 -1.77775504 2.72904886
C 0.54126607 -3.27057085 0.66259073
C -0.26393323 -3.27328906 -0.52386209
C 2.50652002 -2.58623359 -0.63731443
C 1.75956334 -2.62000837 -1.79051859
C 0.37290572 -3.03336594 -1.74058526
C -2.19607571 -0.74730510 -2.91312756
C -1.64584860 -2.04199190 -2.48634083
C -0.33615239 -2.31517088 -2.73278304
C -1.24066448 0.26800901 -3.47892497
C -2.83612881 2.56352323 -1.04647405
C -3.74497701 1.80945128 -0.11612632
C -3.65773497 -0.93391550 -2.63968528
C -1.23611733 1.48065212 -2.84648300
C 0.44535944 2.87335693 -1.64357577
C -0.39919797 3.36293184 -0.43445538
C -1.77672883 3.22834186 -0.14070868
C 0.08429562 2.08202383 -2.73504736
C 2.21045499 0.87076723 -2.75506510
C 2.64691261 1.71780034 -1.67959257
C 1.79963285 2.68721318 -1.15547304
C 0.96984242 1.07644266 -3.30806856
C 0.58063762 -1.34529813 -3.36827122
C 1.87455628 -1.55116175 -2.76002963
C 2.70010213 -0.47403776 -2.49977067
C 0.15823847 -0.07934238 -3.70435405
C -2.52257293 0.07500850 -1.47558923
C -1.95259712 1.42152956 -1.56473139
C -3.80843826 2.92389584 -2.14397341
C -4.84558391 2.06366518 -2.10968983
C -6.04497065 2.06409389 -2.91397409
C -7.19646165 1.60875671 -2.37845693
C -8.46116985 1.75937492 -3.07665671
C -9.62892382 1.53816165 -2.45727897
C -9.66551264 1.09236416 -1.07542995
C -8.53620985 0.85396460 -0.39776202
C -7.22859095 1.06241470 -1.00561146
C -6.09710074 0.79268273 -0.33893582
C -4.76144912 1.05825247 -0.94764753
C -3.96125151 -0.19253824 -1.42171889
H -1.98552439 -0.54001521 -0.76119096
H -1.13387594 1.33770334 -0.84940402
H -3.65351664 3.67690347 -2.90473061
H -6.04693414 2.54412581 -3.88537256
H -8.42987894 2.10736246 -4.10195893
H -10.56249072 1.70439557 -2.97842522
H -10.62574234 0.95732326 -0.59613920
H -8.56012674 0.51445956 0.63010356
H -6.13398035 0.36065910 0.65429791
H -4.07734974 -0.99513171 0.71098082
|
optimized_conformer_116.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.33248317 0.43849070 2.77791881
C 3.22416139 0.03105127 1.71416691
C 1.44776557 -0.46706438 3.32864765
C 3.19209227 -1.26819344 1.24513212
C 3.27309185 -1.53175115 -0.17981534
C 3.33561884 1.13233501 0.78164874
C 3.42324840 0.88008565 -0.57444567
C 3.40024429 -0.47729571 -1.06693095
C -0.32419649 1.23117965 3.38380754
C 0.59658225 2.17048012 2.79079901
C 0.09076846 -0.06740883 3.63867820
C 1.89281200 1.78677826 2.49754087
C 2.49798958 2.20829477 1.26451271
C -0.14186121 2.99887757 1.87422417
C 0.41554767 3.36687977 0.66792724
C 1.76627844 2.97452841 0.36915090
C -2.07634105 -0.96538425 2.86192972
C -2.56809712 0.42505605 2.74395583
C -0.77916904 -1.17863146 3.33999377
C -1.65841416 1.49920019 2.89196208
C -1.55054117 2.64732056 1.96114584
C -3.52491324 0.56052891 1.70286204
C -3.34480550 1.67048397 0.86220752
C -2.38265801 2.75941706 0.85585958
C -0.44340716 -3.03593164 1.77867137
C -1.74507678 -2.77956377 1.20298941
C 0.02318821 -2.24367321 2.81486215
C -2.56896484 -1.80817770 1.81228484
C -3.41365795 -0.97110587 0.91019876
C -1.63478659 -3.06694558 -0.21722877
C -2.31735479 -2.20882869 -1.19739931
C -3.65313083 -1.53150919 -0.48148394
C 2.25994088 -2.20903495 1.81398206
C 1.76161242 -3.03958305 0.73199503
C 1.41116190 -1.82015980 2.82791645
C 0.44277851 -3.43621193 0.72025189
C -0.31214095 -3.43641044 -0.51966897
C 2.39070243 -2.62281874 -0.48979196
C 1.66492757 -2.63698540 -1.68538362
C 0.31226255 -3.07938861 -1.73844970
C -2.09290653 -0.65278728 -3.23050940
C -1.73745783 -2.02810061 -2.77542762
C -0.38310783 -2.33211712 -2.79843779
C -1.19047350 0.35726186 -3.52931801
C -2.11258175 2.28763511 -1.96138154
C -3.21375037 1.27099486 -1.72450808
C -2.93999700 -0.17366822 -2.13816432
C -1.20084732 1.79192127 -2.87078815
C 0.57249445 2.93604109 -1.64050262
C -0.36005179 3.36501500 -0.59000141
C -1.70198260 3.07127216 -0.64791834
C 0.18452506 2.15247336 -2.71072964
C 2.24516700 0.85758978 -2.58947500
C 2.68720278 1.70093247 -1.51130017
C 1.86403204 2.71032895 -1.04463182
C 1.02747454 1.08488140 -3.18852475
C 0.56987988 -1.33458620 -3.29656493
C 1.82948527 -1.54960768 -2.62687561
C 2.66746436 -0.49578037 -2.31174385
C 0.18718440 -0.02474977 -3.60054638
C -2.28328630 -0.24576688 0.13150587
C -1.88261261 -0.77273386 -1.12771827
C -4.27759189 -0.87233216 -1.66756731
C -5.31182450 0.22314890 -1.63413205
C -6.66433094 0.11297499 -1.58660896
C -7.45945576 1.28364346 -1.72407675
C -8.87282518 1.21831726 -1.68578016
C -9.62936935 2.34541381 -1.82938098
C -9.00624783 3.59547919 -2.02613546
C -7.64482784 3.68763740 -2.07668647
C -6.83287109 2.53836917 -1.92548037
C -5.41337824 2.61809442 -1.97274678
C -4.68793030 1.48198407 -1.82831147
C -2.81417397 1.01961659 -0.30536461
H -1.46121408 -0.14330613 0.84160300
H -0.83963857 -0.55105636 -1.36032624
H -4.55078713 -1.67161440 -2.36108267
H -7.15362811 -0.84775121 -1.47024060
H -9.34540407 0.25395500 -1.54156744
H -10.70888423 2.28635950 -1.79007937
H -9.61471611 4.48339795 -2.13579767
H -7.16672166 4.64692322 -2.23015697
H -4.93193963 3.57618612 -2.13070372
H -1.78266817 1.34522485 -0.35883818
|
optimized_conformer_117.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.18755282 0.70038899 2.84691694
C 3.17704519 0.24108975 1.89105337
C 1.29109510 -0.18714160 3.39530668
C 3.22196316 -1.09184158 1.52725417
C 3.40133017 -1.46054131 0.13976242
C 3.32339000 1.26816178 0.88694588
C 3.47943333 0.91381142 -0.44121599
C 3.51195543 -0.47593653 -0.82368420
C -0.57514461 1.42629688 3.10528101
C 0.40118343 2.36906618 2.58908754
C -0.10461924 0.18499020 3.52608548
C 1.73186989 2.00726492 2.44119401
C 2.45301097 2.37125559 1.24251589
C -0.23812245 3.20249518 1.61076738
C 0.45906379 3.54711819 0.44905688
C 1.81292432 3.09271119 0.25987978
C -2.09317624 -0.85487608 2.64468574
C -2.66579365 0.41990262 2.30459420
C -0.88132652 -0.98637108 3.27713778
C -1.87861354 1.61417057 2.47420645
C -1.64926155 2.89332102 1.56216331
C -3.66423345 0.06512585 1.20523507
C -3.02524889 1.86138015 -0.02052323
C -2.22336277 3.03237453 0.31562465
C -0.35801978 -2.98915661 1.99749123
C -1.61988523 -2.83853859 1.31642462
C 0.00397366 -2.08694104 2.97454378
C -2.46730767 -1.81154614 1.62906793
C -3.37633346 -1.18299353 0.65820671
C -1.44020024 -3.27534367 -0.06795632
C -2.16338529 -2.69945559 -1.07509567
C -3.20905636 -1.69625170 -0.77436020
C 2.29300808 -2.03354597 2.12028359
C 1.91337568 -2.98884250 1.10086209
C 1.35512203 -1.59164560 3.03591389
C 0.61440115 -3.46029007 1.04389320
C -0.04667403 -3.62156137 -0.22874907
C 2.59666293 -2.63422691 -0.12332974
C 1.95310448 -2.77436540 -1.33994634
C 0.61601012 -3.30392821 -1.39553732
C -2.01382951 -1.18142222 -2.88981409
C -1.46249740 -2.36641750 -2.34034531
C -0.10169231 -2.60736934 -2.44299353
C -1.15023362 -0.07949910 -3.34428648
C -2.06247336 2.52285586 -2.07637149
C -3.36333182 1.87295462 -1.48604193
C -3.19126012 -0.89915313 -1.88860910
C -1.16742008 1.71836763 -2.87879188
C 0.70574815 2.90793321 -1.79721591
C -0.17717294 3.52514290 -0.85583890
C -1.53209767 3.32117709 -0.96703752
C 0.23018843 1.97904685 -2.73850104
C 2.29701338 0.69077373 -2.45800697
C 2.75413040 1.63530349 -1.46389023
C 1.96794720 2.70776240 -1.13040293
C 1.05630538 0.83083670 -3.05473799
C 0.75174275 -1.60183162 -2.98963601
C 2.04167350 -1.72781657 -2.33572604
C 2.79650812 -0.61072251 -2.07617537
C 0.24712206 -0.34212579 -3.37312610
C -1.68217460 0.30675545 -1.11780371
C -1.79862892 0.92878298 0.00014223
C -4.26416263 1.33729639 0.69190419
C -5.35555174 1.45341894 -0.34729448
C -6.66773877 1.14502212 -0.20188102
C -7.56480288 1.37011843 -1.27911704
C -8.93266846 1.02137064 -1.18249022
C -9.78310085 1.22448025 -2.23152945
C -9.30070343 1.78847726 -3.43119184
C -7.98673387 2.14365093 -3.54925296
C -7.08110986 1.94637764 -2.47962516
C -5.69827769 2.26576731 -2.60475284
C -4.86062868 2.01419771 -1.56533852
C -3.01426197 0.52340484 -1.96923487
H -0.87590388 -0.38146244 -1.27529930
H -1.00843027 0.85906415 0.72066312
H -4.52302313 1.95169522 1.55618195
H -7.04319704 0.72536501 0.72456825
H -9.29041298 0.57881338 -0.26049596
H -10.82786263 0.95303262 -2.14978778
H -9.97681900 1.93804522 -4.26275783
H -7.61808291 2.57536303 -4.47259451
H -5.33061116 2.67059712 -3.54091283
H -2.97802513 0.70502798 -3.03199036
|
optimized_conformer_118.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.98991011 0.32211971 2.33857114
C 3.60879410 -0.19338735 1.13758421
C 2.12575238 -0.47548663 3.06751649
C 3.33724891 -1.48347402 0.72238899
C 3.13595396 -1.76571214 -0.67987036
C 3.67086917 0.88180142 0.17081524
C 3.46960112 0.61817169 -1.16877351
C 3.20630232 -0.73599685 -1.60391487
C 0.61556331 1.41722453 3.39449477
C 1.50898164 2.25065801 2.62714770
C 0.91548568 0.08660113 3.61198313
C 2.67405126 1.71734058 2.11188493
C 3.08539938 2.06100267 0.76925603
C 0.71000453 3.15656133 1.82998869
C 1.10401378 3.48881358 0.55005032
C 2.31180368 2.91960037 0.00588296
C -1.42197215 -0.55724896 3.20486286
C -1.72525642 0.85985094 3.02104274
C -0.12760824 -0.91631833 3.49639059
C -0.73886239 1.80427753 3.08368485
C -0.68205050 2.89717707 2.09832911
C -2.77795190 0.97566167 2.02209931
C -2.75012791 2.09107844 1.03064088
C -1.62306838 3.02001201 1.10422036
C -0.33776725 -2.83808381 1.98419404
C -1.71884400 -2.51169119 1.67095362
C 0.42431311 -2.08380747 2.87108306
C -2.24827798 -1.35051580 2.30905688
C -3.10761883 -0.29706550 1.67287744
C -1.87378007 -3.05294787 0.17822706
C -2.70346705 -2.27083195 -0.79765474
C -3.33039568 -0.55527282 0.27428736
C 2.42367791 -2.30808981 1.48261438
C 1.64442932 -3.09363549 0.56258112
C 1.82769440 -1.82206232 2.62417881
C 0.32294417 -3.37393585 0.81020744
C -0.64388905 -3.45234235 -0.27622840
C 2.10080083 -2.76886433 -0.78822863
C 1.20428030 -2.73747714 -1.82556231
C -0.21081650 -3.05366921 -1.60826978
C -2.80857334 -0.64388301 -2.70087804
C -2.36173127 -1.89136078 -2.25425053
C -0.96429045 -2.24471885 -2.45028983
C -1.68043712 0.41456898 -2.59288694
C -2.07733325 2.64907818 -1.18131171
C -3.05854335 1.93271357 -0.29836051
C -3.29019972 0.56982098 -0.77594352
C -1.50967606 2.01651677 -2.31109163
C 0.69581311 3.00248478 -1.69812300
C 0.11669756 3.56088509 -0.51235171
C -1.22691278 3.36903042 -0.25240636
C -0.08903917 2.21633018 -2.54349284
C 1.87070177 0.70561607 -2.86720255
C 2.64504811 1.51118938 -1.95965382
C 2.06682897 2.62527101 -1.38932482
C 0.54589564 1.04085008 -3.11367630
C -0.06316994 -1.33534733 -3.13785367
C 1.28795175 -1.67637474 -2.80215472
C 2.23631080 -0.67950239 -2.67239950
C -0.40143648 -0.00939579 -3.17771194
C -1.92921041 -0.97222073 -0.26047764
C -1.76934697 0.23266132 -1.05413310
C -3.97800156 0.12264146 -2.10254622
C -5.24808752 -0.64178927 -1.94728135
C -6.33307809 -0.41951540 -2.74062880
C -7.51279247 -1.18244658 -2.58348264
C -8.64132390 -0.97991680 -3.41312380
C -9.77092486 -1.72584031 -3.24742476
C -9.83210399 -2.69885135 -2.22460664
C -8.75937033 -2.91070593 -1.40646270
C -7.56195068 -2.17157816 -1.57487038
C -6.40912007 -2.39800530 -0.78117658
C -5.27251561 -1.66521149 -0.97352454
C -4.03656188 -1.84188503 -0.16171523
H -1.06049118 -1.09227459 0.35984764
H -1.03638805 0.82786520 -0.50796534
H -4.15628458 1.00097281 -2.72503018
H -6.30022589 0.34263444 -3.51068797
H -8.58667111 -0.21897625 -4.18201400
H -10.62231090 -1.56998634 -3.89699278
H -10.73637717 -3.27859844 -2.09294901
H -8.81060196 -3.64862370 -0.61508533
H -6.43816125 -3.16708835 -0.01750928
H -4.24696010 -2.48123850 0.69422117
|
optimized_conformer_119.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.03517514 0.89027783 2.75559735
C 3.07366272 0.58040703 1.79324511
C 1.29497053 -0.12283368 3.32266360
C 3.29886613 -0.73089562 1.41760911
C 3.54330957 -1.05922991 0.03293927
C 3.08028950 1.62545075 0.79764070
C 3.32993892 1.31767630 -0.52487907
C 3.56818808 -0.05731449 -0.91646041
C -0.77337530 1.19569513 3.07404786
C 0.00669990 2.25159870 2.48797221
C -0.12016717 0.05031404 3.51705963
C 1.37810927 2.10590408 2.33990570
C 2.03407016 2.57035278 1.13831092
C -0.79318127 2.90416794 1.47174352
C -0.14757431 3.34153607 0.30819154
C 1.28800510 3.16845081 0.14914894
C -1.98929551 -1.31149706 2.82003013
C -2.74416867 -0.09761364 2.49785951
C -0.73121060 -1.23322532 3.31345727
C -2.10211856 1.15547997 2.48041987
C -2.10793247 2.30736080 1.42377646
C -3.82420294 -0.57652251 1.64108472
C -3.16509186 0.80203220 -0.16146234
C -2.64293691 2.16692637 0.13727314
C -0.03847441 -3.07130424 1.86019059
C -1.36321570 -3.14801932 1.25867229
C 0.26245525 -2.17775887 2.88202174
C -2.35805537 -2.35461978 1.86239014
C -3.60154532 -1.86218800 1.27699450
C -1.10170264 -3.53313821 -0.23479063
C -1.76837583 -2.93740100 -1.31419519
C -2.70830857 -1.84957334 -0.91304013
C 2.49627187 -1.79162308 1.98913156
C 2.21458932 -2.75722803 0.95585161
C 1.53164184 -1.50365965 2.92854747
C 0.97562834 -3.37544466 0.88639426
C 0.33039226 -3.62700941 -0.38570659
C 2.87528328 -2.31517932 -0.25114522
C 2.26795341 -2.51795570 -1.46878483
C 0.97709040 -3.18221628 -1.54681152
C -1.75849213 -1.15277383 -2.91848685
C -1.12859804 -2.42632189 -2.49612137
C 0.24349563 -2.56394673 -2.61156948
C -0.96817119 -0.11387841 -3.42516296
C -2.23119106 1.56930237 -2.14785779
C -3.04524760 0.51659698 -1.66306287
C -2.81235711 -0.81079903 -2.03753825
C -1.20282124 1.24227664 -3.04085932
C 0.30610065 2.84141851 -1.94170713
C -0.74388889 3.16224829 -0.98359072
C -1.98768370 2.56523746 -1.07790624
C 0.08526047 1.91095736 -2.93367951
C 2.32103585 0.97196234 -2.60656248
C 2.55486724 1.95273953 -1.56782702
C 1.56430731 2.86017710 -1.23848962
C 1.11428359 0.95559939 -3.27513676
C 1.05235528 -1.49063594 -3.17555590
C 2.31135381 -1.47417346 -2.47371656
C 2.94012552 -0.27236936 -2.20206918
C 0.46664747 -0.30442736 -3.56337047
C -1.78825585 0.15012114 0.18051434
C -1.57641591 -1.07067643 -0.17410369
C -3.96301312 -2.29494572 -0.09865466
C -5.21398181 -1.64464555 -0.61206896
C -6.06416985 -2.26828123 -1.47537044
C -7.16440924 -1.57397387 -2.03636281
C -8.02653195 -2.17919486 -2.98182458
C -9.05323042 -1.47445578 -3.54098172
C -9.27899824 -0.13069109 -3.16970990
C -8.46943590 0.47536842 -2.25247012
C -7.38899398 -0.22753474 -1.66639195
C -6.50739081 0.38583959 -0.74275548
C -5.44152057 -0.29692264 -0.23843813
C -4.42013145 0.35497689 0.64725304
H -0.93718701 0.75215997 0.45598278
H -0.56000867 -1.42818248 -0.17037424
H -4.04011276 -3.38035299 -0.18028863
H -5.89523800 -3.30029835 -1.76481785
H -7.84613612 -3.20970594 -3.26327813
H -9.69743502 -1.94237811 -4.27396843
H -10.09533542 0.41834859 -3.62064182
H -8.63448606 1.50768240 -1.96638660
H -6.67582295 1.41920494 -0.45821375
H -4.84362529 1.24500423 1.11433780
|
optimized_conformer_12.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.24917983 0.69102034 2.59838712
C 3.22658717 0.23718274 1.63117630
C 1.37237443 -0.21203527 3.16626851
C 3.27555251 -1.09737429 1.27433326
C 3.46084239 -1.46994453 -0.11196133
C 3.35512470 1.26077509 0.61605037
C 3.52567741 0.90664244 -0.70752900
C 3.58559944 -0.49225308 -1.07940922
C -0.47238488 1.38832386 2.92950020
C 0.44660396 2.33783863 2.33598380
C -0.02006095 0.14551993 3.34501091
C 1.78108157 1.99710787 2.17665678
C 2.45766579 2.34675732 0.96111651
C -0.25791981 3.07028331 1.32532201
C 0.38131217 3.38703357 0.15872249
C 1.76156502 3.01545539 -0.03298206
C -2.03088103 -0.87565704 2.42815485
C -2.49978725 0.42578903 2.02727521
C -0.82115316 -1.01588360 3.08939230
C -1.73664425 1.52999694 2.27842986
C -1.73808797 2.76513416 1.40618817
C -3.18605617 0.27415223 0.72748612
C -3.08032231 1.24044410 -0.23459260
C -2.47624279 2.61045560 0.01476387
C -0.29738556 -3.01713297 1.77358683
C -1.56863388 -2.88109334 1.09539344
C 0.06781091 -2.10984550 2.74826452
C -2.41089266 -1.83077350 1.41275117
C -3.11271106 -1.11884788 0.36772646
C -1.38338767 -3.26455201 -0.28733582
C -2.05589437 -2.59231318 -1.28863753
C -2.94798484 -1.49807509 -0.95397009
C 2.35609491 -2.04281943 1.87195679
C 1.97294455 -2.99950422 0.85573339
C 1.42581848 -1.61155488 2.79822737
C 0.67776198 -3.47678881 0.80701012
C 0.00715619 -3.63066148 -0.46637187
C 2.65712564 -2.64710452 -0.37065584
C 2.01834537 -2.79235768 -1.58547618
C 0.66236472 -3.29827489 -1.63546227
C -1.83715278 -0.93947310 -2.92956095
C -1.36973291 -2.24588955 -2.51337637
C -0.04165005 -2.58881465 -2.68219171
C -0.95901189 -0.04016569 -3.49877464
C -1.94185479 1.79536229 -2.19471575
C -2.86343535 0.85152056 -1.59466494
C -2.81471163 -0.48631805 -1.96021607
C -1.01465056 1.36047397 -3.13027210
C 0.67683417 2.76950373 -2.09200237
C -0.30511002 3.23246122 -1.14329742
C -1.59201656 2.76807771 -1.20305214
C 0.32759364 1.86280785 -3.07897066
C 2.44130620 0.65785957 -2.76821981
C 2.81400576 1.61536922 -1.74898017
C 1.94869346 2.64188757 -1.41630597
C 1.22986659 0.77848683 -3.41887899
C 0.87850453 -1.64365661 -3.27880697
C 2.15059841 -1.76845779 -2.60086510
C 2.91570405 -0.64572650 -2.35250141
C 0.43136094 -0.39876014 -3.67978945
C -3.43013969 3.79389664 0.42195489
C -4.88072604 3.44777641 0.43832277
C -5.52268016 3.11200848 1.55254980
C -4.87971815 3.08953202 2.87136884
C -5.54390966 2.60003920 3.96405055
C -4.93613751 2.55200973 5.23982245
C -5.59841587 2.02106101 6.37404356
C -4.97666657 1.98374456 7.58826826
C -3.65724525 2.46762352 7.72991606
C -2.99699584 2.98865003 6.65472839
C -3.62122761 3.04768040 5.38552458
C -2.95511403 3.55678705 4.24498513
C -3.54597207 3.56449314 3.01478809
C -2.73254728 3.91211114 1.79856722
H -3.25203340 4.66000285 -0.21550639
H -5.39713725 3.43102819 -0.51504587
H -6.56902360 2.83130079 1.51673437
H -6.55608299 2.22461666 3.85689714
H -6.60652853 1.63993620 6.25993693
H -5.49332865 1.58286463 8.45032019
H -3.17295063 2.42320002 8.69654467
H -1.98222201 3.35616649 6.75148880
H -1.93082269 3.90165827 4.35441270
H -2.21188547 4.85909287 1.93999334
|
optimized_conformer_120.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 1.95095787 0.67696120 2.78594676
C 3.01260898 0.35038226 1.85341611
C 1.11096005 -0.30728642 3.25423111
C 3.18335795 -0.95065479 1.42564197
C 3.45665221 -1.22523232 0.02954060
C 3.12619126 1.43816422 0.91167943
C 3.38840743 1.17743323 -0.42031024
C 3.54774085 -0.18429208 -0.87231430
C -0.85711073 1.18749989 3.03908304
C 0.04214074 2.19808107 2.52117498
C -0.31536139 -0.05783737 3.38463458
C 1.40446118 1.96255321 2.41435095
C 2.14510612 2.44041979 1.27214555
C -0.64509945 2.93948116 1.49632733
C 0.08965295 3.43909669 0.42645596
C 1.49402214 3.15750570 0.29367149
C -2.21199492 -1.21993673 2.40343117
C -2.75966949 0.07415782 2.10280874
C -0.99330481 -1.27767475 3.05481400
C -2.13965328 1.29697224 2.38631872
C -2.00940741 2.45198731 1.34211964
C -3.22194515 -0.05036398 0.69148415
C -3.69958439 1.91265882 -0.53763990
C -2.58943346 2.64031158 0.07195671
C -0.24624793 -3.15659673 1.64642148
C -1.50431356 -3.10102687 0.92061949
C -0.00159729 -2.27766937 2.68056772
C -2.47678296 -2.16679233 1.29479341
C -3.19650873 -1.52025233 0.26363119
C -1.23743552 -3.36969825 -0.45718496
C -1.94051768 -2.70638882 -1.47103479
C -2.94309948 -1.78543756 -1.08546548
C 2.30801886 -1.98910268 1.92388961
C 2.04699299 -2.90813318 0.83597865
C 1.30094268 -1.67651231 2.81886928
C 0.79924824 -3.48119244 0.70185302
C 0.19187009 -3.59665229 -0.60464521
C 2.75108367 -2.43322461 -0.33630596
C 2.16412107 -2.53941128 -1.58417280
C 0.85988882 -3.13848579 -1.71920750
C -1.74507748 -0.93993467 -3.07942398
C -1.21860804 -2.21086536 -2.66611602
C 0.14470278 -2.41705677 -2.76318692
C -0.98171303 0.13454030 -3.55012488
C -2.14115472 2.19373742 -2.21823867
C -3.44852335 1.66334384 -1.84469226
C -2.70661543 -0.57452209 -2.00017566
C -1.15336115 1.59911509 -3.02759941
C 0.53406358 2.99546006 -1.83699101
C -0.47101500 3.40533245 -0.89620483
C -1.75607077 3.01692654 -1.06946037
C 0.20386016 2.08841060 -2.83749852
C 2.37127345 0.99228353 -2.52418297
C 2.67888597 1.90659234 -1.45158661
C 1.76941378 2.88194119 -1.10856224
C 1.16037758 1.07631780 -3.19502493
C 0.98028669 -1.35662426 -3.24413938
C 2.24138864 -1.44000529 -2.52407278
C 2.92335713 -0.29719607 -2.17615561
C 0.44072685 -0.11324130 -3.59772254
C -1.56035502 0.00682583 -1.11245603
C -1.79654994 0.23823732 0.13323215
C -4.39899603 0.87934196 0.26663228
C -5.42962381 0.10346574 -0.49797594
C -6.48789016 -0.48197222 0.12789366
C -7.33419351 -1.37831795 -0.56776856
C -8.36710197 -2.09125088 0.08695984
C -9.12877993 -2.99601267 -0.59405954
C -8.90666266 -3.21795927 -1.97077394
C -7.92680738 -2.53394753 -2.63011792
C -7.10274528 -1.60887590 -1.94409820
C -6.01539938 -0.95785528 -2.57854942
C -5.17918745 -0.14821115 -1.86828145
C -3.88331633 0.36557724 -2.42428977
H -0.53058421 -0.03524479 -1.42978802
H -0.95455032 0.39683188 0.78840850
H -4.83601111 1.28522260 1.17925787
H -6.65892170 -0.30138487 1.18408223
H -8.52562200 -1.91981095 1.14508284
H -9.89676233 -3.55680224 -0.07785299
H -9.51634261 -3.93678693 -2.50220901
H -7.75221943 -2.70666913 -3.68523100
H -5.82638899 -1.15715491 -3.62807180
H -3.91537280 0.39022819 -3.51483615
|
optimized_conformer_121.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.24608288 0.80111077 2.85909778
C 3.21160683 0.41930445 1.84975299
C 1.38680858 -0.14694258 3.38139223
C 3.27482553 -0.88983735 1.40846906
C 3.44265265 -1.17166927 0.00047875
C 3.32010912 1.50883705 0.90344714
C 3.47578745 1.24067648 -0.44254032
C 3.53235813 -0.13057233 -0.90175955
C -0.47284064 1.44432488 3.28353649
C 0.42829244 2.43945640 2.74298948
C -0.00298571 0.18433383 3.59977374
C 1.75739865 2.12453114 2.53429943
C 2.42517145 2.56518186 1.32752010
C -0.29630384 3.21201851 1.75653813
C 0.34233595 3.64251869 0.60825696
C 1.73674207 3.31057963 0.39018315
C -2.01491883 -0.83479462 2.63372268
C -2.50154354 0.48501618 2.30687551
C -0.79527191 -0.98561462 3.27075662
C -1.75375824 1.60031374 2.62667602
C -1.64371783 2.69545223 1.68425811
C -3.17737159 0.40828107 1.02608020
C -3.07641305 1.46002976 0.12573862
C -2.29084437 2.62832351 0.46495467
C -0.27985365 -2.87637850 1.81397707
C -1.55674640 -2.73964734 1.18727282
C 0.09541042 -2.02954544 2.84966554
C -2.39115385 -1.72925516 1.56932784
C -3.10642865 -0.93614483 0.55576451
C -1.50692938 -3.27613406 -0.22953269
C -2.06363637 -2.31742485 -1.24862405
C -2.89689573 -1.17928602 -0.78731194
C 2.36735064 -1.87939019 1.95109858
C 1.98088560 -2.77013772 0.87719864
C 1.44794001 -1.51794829 2.91398809
C 0.68432922 -3.25363981 0.80024298
C 0.00113858 -3.36714296 -0.45869423
C 2.63746108 -2.33335018 -0.32139318
C 1.96445189 -2.39799153 -1.52631427
C 0.61249368 -2.90946193 -1.60214580
C -2.09564964 -0.51412875 -2.97607600
C -1.54036313 -1.91051747 -2.61693814
C -0.07831325 -2.14822788 -2.67597729
C -1.01065063 0.48411038 -3.26124170
C -2.00528446 2.20777677 -1.81840972
C -2.91146330 1.18760896 -1.26518438
C -2.84367566 -0.11215335 -1.71197682
C -1.08582179 1.85360222 -2.77441243
C 0.63423460 3.20903922 -1.67305726
C -0.33699675 3.57831065 -0.66336409
C -1.62872804 3.08629414 -0.73548099
C 0.26516974 2.37004878 -2.70287815
C 2.35010825 1.13333964 -2.48954810
C 2.75597179 2.02124337 -1.42593065
C 1.91385934 3.03976260 -1.02060981
C 1.14209729 1.30476414 -3.11443860
C 0.77712951 -1.18514433 -3.13667672
C 2.06968360 -1.31176405 -2.45925678
C 2.82866335 -0.20995610 -2.15835042
C 0.30120539 0.14875135 -3.44735241
C -1.79771911 -5.23434533 -1.67759998
C -1.79106253 -4.42585457 -2.72590173
C -2.47145445 -3.10329951 -2.52135823
C -3.89639050 -3.35892305 -2.12667608
C -5.06914894 -2.86494954 -2.58500553
C -6.27888017 -3.15076947 -1.88283496
C -7.52845073 -2.66525971 -2.32679358
C -8.68034188 -2.97873221 -1.65628807
C -8.63306211 -3.77782894 -0.49906478
C -7.43020935 -4.23110072 -0.03008673
C -6.22867336 -3.93857857 -0.71046691
C -4.96996278 -4.41503757 -0.23213811
C -3.82750479 -4.14346745 -0.90698785
C -2.41877955 -4.57975639 -0.47424961
H -1.36343306 -6.22500121 -1.64926472
H -1.36358552 -4.65637975 -3.69263102
H -2.77977136 -0.59613290 -3.82841454
H -5.09655730 -2.23350672 -3.46564188
H -7.56639962 -2.04070474 -3.21243036
H -9.63347341 -2.61205835 -2.01459407
H -9.54907478 -4.02806440 0.02105930
H -7.38435298 -4.82401659 0.87528763
H -4.94892646 -4.98999877 0.68756534
H -2.44972139 -5.21349869 0.41025889
|
optimized_conformer_122.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.53310087 0.69146391 2.58486695
C 3.34901966 0.16156683 1.51254271
C 1.60671198 -0.10912135 3.20824697
C 3.22568646 -1.16449401 1.10978708
C 3.26788189 -1.49602196 -0.30425937
C 3.53389281 1.19769110 0.53287039
C 3.55775539 0.87695748 -0.81513477
C 3.41956052 -0.49607277 -1.23667020
C -0.03874113 1.69682400 3.18693268
C 0.94370549 2.55637165 2.54510947
C 0.28545714 0.39748268 3.52556493
C 2.19425820 2.06306595 2.24465376
C 2.81463417 2.37333798 0.98050168
C 0.24714614 3.38409262 1.58818178
C 0.84096047 3.69265007 0.37709168
C 2.15363269 3.17120533 0.06534607
C -1.94516497 -0.39381343 2.79763249
C -2.23616100 0.95211973 2.41178116
C -0.67585034 -0.66128934 3.30619138
C -1.32366213 1.98564002 2.62331484
C -1.15338808 3.03169783 1.63534469
C -3.01241110 0.95118446 1.17797055
C -2.84802940 1.97084414 0.23488818
C -1.90250901 3.02983642 0.47309869
C -0.43152081 -2.58701926 1.79166279
C -1.54418451 -2.12607196 1.19189868
C 0.10147696 -1.80281478 2.84692560
C -2.61821699 -1.33760605 1.78256346
C -3.17224866 -0.37907857 0.74716661
C -1.88394847 -2.81265324 -0.06717889
C -2.42361623 -1.83697162 -1.05855498
C -3.14921758 -0.69431297 -0.59916896
C 2.24822669 -2.00292733 1.73047003
C 1.70736414 -2.89368916 0.72591005
C 1.46543765 -1.49840989 2.79472025
C 0.36096232 -3.20914784 0.74192864
C -0.46103330 -3.30497126 -0.43648592
C 2.31669753 -2.56202784 -0.53839684
C 1.54698908 -2.57772215 -1.68267068
C 0.13237443 -2.92046471 -1.62545374
C -2.16293321 -0.17167365 -2.63490970
C -1.82355676 -1.54373072 -2.27828920
C -0.54802020 -2.05948482 -2.58769962
C -1.22246509 0.63063298 -3.24399591
C -1.86308641 2.52271142 -1.81206874
C -2.83813564 1.66033220 -1.16507769
C -2.99092946 0.35365061 -1.58498138
C -1.07266126 2.01865860 -2.82152022
C 0.88783854 3.15487638 -1.90361694
C 0.05805610 3.68369652 -0.83910505
C -1.28509050 3.37154052 -0.79345108
C 0.33330758 2.33949332 -2.87012446
C 2.28364784 0.85190222 -2.77485694
C 2.86586853 1.71064100 -1.77130300
C 2.17972971 2.83414528 -1.34003629
C 1.04561178 1.15543776 -3.31878539
C 0.40306297 -1.22000184 -3.21362750
C 1.71037383 -1.52348377 -2.65812620
C 2.62314452 -0.51471181 -2.45231989
C 0.08604807 0.10953127 -3.53271251
C -4.96118042 -2.37374437 2.05161026
C -3.50587910 -2.67307650 1.92667236
C -3.09917030 -3.58788796 0.66762847
C -4.20082924 -3.86326474 -0.32540350
C -3.89589395 -4.53399751 -1.47386483
C -4.84638045 -4.71417344 -2.50418129
C -4.50993356 -5.34934904 -3.72387817
C -5.42862881 -5.44903358 -4.72679279
C -6.73127585 -4.93080006 -4.55192538
C -7.08681772 -4.33231930 -3.37884312
C -6.14969940 -4.20265078 -2.32373016
C -6.46050538 -3.55401681 -1.10618822
C -5.51845590 -3.36839193 -0.12826204
C -5.85497234 -2.66845778 1.11464954
H -5.26440995 -1.86491078 2.96005575
H -3.15244260 -3.16776806 2.83286068
H -2.69842677 -4.52738429 1.04949848
H -2.88592941 -4.90205891 -1.63417299
H -3.50740735 -5.74192091 -3.84462398
H -5.16252227 -5.92166982 -5.66201946
H -7.44780885 -5.00375669 -5.35838851
H -8.08479713 -3.93435404 -3.24328751
H -7.46916022 -3.18360111 -0.95841727
H -6.89206850 -2.38943740 1.26002604
|
optimized_conformer_123.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.51771863 0.52884906 2.76889538
C 3.43309803 0.30826245 1.67140377
C 1.74585973 -0.51398718 3.24656402
C 3.54748322 -0.94565960 1.10117556
C 3.65736946 -1.08379799 -0.33498023
C 3.41025201 1.48412495 0.82883789
C 3.49893737 1.35271880 -0.54373838
C 3.63040502 0.04115715 -1.14067823
C -0.19838663 0.97124741 3.45702004
C 0.61727268 2.06444756 2.95718670
C 0.36191246 -0.28886998 3.59424220
C 1.93532441 1.84461435 2.61418845
C 2.47982368 2.43150152 1.40584161
C -0.21848022 2.88256227 2.10819666
C 0.28930591 3.42129906 0.94528885
C 1.67023007 3.19485324 0.58722082
C -1.65376237 -1.30598900 2.65474321
C -2.26407256 0.00309941 2.53080532
C -0.39161962 -1.45500123 3.18827500
C -1.53277541 1.12484340 2.92981134
C -1.54243451 2.30270299 2.09597940
C -3.07539582 0.02370322 1.35599422
C -3.12886259 1.19582048 0.59019167
C -2.29090749 2.31740690 0.93896443
C 0.14906200 -3.15825081 1.50391761
C -1.16439494 -2.96408741 0.92208110
C 0.53114534 -2.40403950 2.59572518
C -2.03353200 -2.06502004 1.49331730
C -2.86438477 -1.25472906 0.65427346
C -1.07336759 -3.05571499 -0.50608069
C -1.87082231 -2.25450244 -1.35433695
C -2.83535278 -1.35081699 -0.73245220
C 2.73626291 -2.03761690 1.59665786
C 2.34143766 -2.84905871 0.46654310
C 1.85392153 -1.82522504 2.63960383
C 1.06992606 -3.39408776 0.42373482
C 0.31326452 -3.36752703 -0.80962273
C 2.92384623 -2.26796639 -0.72609058
C 2.21337905 -2.27721346 -1.91010742
C 0.89133652 -2.85682821 -1.94482170
C -1.90853531 -0.76330894 -3.31264514
C -1.27754345 -1.90665470 -2.67231495
C 0.07829349 -2.09656252 -2.84459184
C -1.18102399 0.41775022 -3.24291422
C -2.23169536 1.95614624 -1.39327221
C -3.21213756 1.10064845 -0.80370692
C -3.61928572 -0.19143616 -1.36310810
C -1.36292199 1.72360381 -2.50626388
C 0.39092490 3.12542916 -1.37578571
C -0.49229172 3.37247593 -0.27892374
C -1.74879139 2.81726525 -0.28905462
C -0.03630720 2.30595861 -2.41864277
C 2.23797807 1.32685915 -2.51261357
C 2.64251987 2.14516276 -1.39834572
C 1.73381890 3.02892305 -0.85091684
C 0.94336833 1.41362086 -2.99439519
C 0.86916061 -0.99716893 -3.33452290
C 2.19028917 -1.10564782 -2.75985232
C 2.86916948 0.03256383 -2.37143610
C 0.25369334 0.23689867 -3.39968363
C -3.37528897 -0.98777309 -3.64723353
C -4.12449760 -0.08065777 -2.75155307
C -5.09377673 -0.53851129 -1.71945048
C -5.37274355 -1.97641366 -1.65101345
C -6.18614425 -2.51909451 -0.69888462
C -6.29711784 -3.92005723 -0.52301959
C -7.07831939 -4.48956919 0.50644886
C -7.10591080 -5.84450539 0.68873548
C -6.36669026 -6.72197472 -0.14663944
C -5.62649964 -6.21581835 -1.16425236
C -5.57066166 -4.80557073 -1.38114678
C -4.79811129 -4.26242722 -2.38947280
C -4.66428943 -2.86777840 -2.54259261
C -3.71276511 -2.41459281 -3.43665590
H -3.52352398 -0.77983028 -4.71658561
H -4.22365012 0.93785364 -3.09863646
H -5.86132646 0.14217592 -1.37821060
H -6.70613321 -1.86752370 -0.00571206
H -7.64222761 -3.83578468 1.15984447
H -7.70081041 -6.26175570 1.49107643
H -6.39645474 -7.78754848 0.03452499
H -5.05028106 -6.86214812 -1.81469916
H -4.24117027 -4.91842930 -3.04991024
H -3.21205121 -3.13853579 -4.07214000
|
optimized_conformer_124.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.19117439 0.51111529 2.46203018
C 3.09626756 0.07448087 1.41960920
C 1.30691536 -0.38742026 3.02799727
C 3.07796901 -1.23865729 0.99112663
C 3.18077761 -1.54086443 -0.42129244
C 3.21973284 1.14745656 0.45490349
C 3.31915533 0.85972538 -0.89242547
C 3.29996476 -0.51646327 -1.34060762
C -0.47451727 1.29431759 2.98710569
C 0.45343609 2.23775366 2.39998945
C -0.05800383 0.01401943 3.29300116
C 1.75571900 1.85521284 2.14108051
C 2.39166852 2.24825577 0.90033858
C -0.27308868 3.03595594 1.43298122
C 0.33445593 3.41258903 0.25087244
C 1.69846597 3.00941089 -0.02110166
C -2.16354686 -0.90756421 2.44765555
C -2.59961189 0.43612607 2.12698620
C -0.92327672 -1.11323717 3.02117940
C -1.77487711 1.51266870 2.39201751
C -1.65005526 2.58720860 1.42814002
C -3.33696822 0.38272550 0.88216195
C -3.21933650 1.40697195 -0.03790456
C -2.35559095 2.53468618 0.24180261
C -0.53863525 -3.05556124 1.57581430
C -1.83929473 -2.84066804 0.97602671
C -0.09173219 -2.21377432 2.57529639
C -2.63164529 -1.79123649 1.40007161
C -3.35672134 -0.99397454 0.43311375
C -1.73580664 -3.14262202 -0.43613485
C -2.42757402 -2.38270418 -1.35941309
C -3.25773924 -1.28405643 -0.91375074
C 2.14971248 -2.17873565 1.58398494
C 1.67998313 -3.06252552 0.53781095
C 1.28615172 -1.76476394 2.57962479
C 0.36731480 -3.49179389 0.53333847
C -0.37229084 -3.54522860 -0.70974394
C 2.31725359 -2.66858423 -0.70111117
C 1.61319909 -2.72083956 -1.88845412
C 0.23678817 -3.16940331 -1.89174567
C -2.22753404 -0.64599373 -2.91727611
C -1.79118327 -1.98929210 -2.59863631
C -0.48992481 -2.37412094 -2.85838937
C -1.34200699 0.25055106 -3.48277435
C -2.18744094 2.04364614 -2.04234827
C -3.11584251 1.10357017 -1.44995978
C -3.13452232 -0.21024070 -1.87654398
C -1.32150829 1.62637437 -3.03434325
C 0.50323132 2.92045379 -2.03361925
C -0.40430331 3.35655210 -0.99339708
C -1.71730727 2.92759400 -0.99692414
C 0.05438386 2.07504380 -3.02969380
C 2.12505910 0.77138664 -2.90476830
C 2.59342075 1.65608278 -1.85872579
C 1.80277152 2.70613460 -1.43296672
C 0.88462205 0.97672004 -3.47634639
C 0.43723328 -1.43318856 -3.45128714
C 1.73774864 -1.64773692 -2.85249954
C 2.56213913 -0.57166336 -2.58493543
C 0.02150208 -0.15151772 -3.75538930
C 3.65190556 -0.62629339 6.62901278
C 3.69466305 0.75410316 6.27521845
C 2.54971460 1.46527587 6.12848522
C 1.27365833 0.84990716 6.33264756
C 0.07914981 1.55137859 6.19912882
C -1.15489738 0.92943838 6.36997243
C -2.39163909 1.62690304 6.19230636
C -3.57732803 0.99413814 6.37305277
C -3.61658279 -0.38508067 6.73182658
C -2.46721635 -1.08592722 6.88789947
C -1.19548482 -0.45713141 6.70525969
C -0.00082580 -1.15552968 6.85106232
C 1.23140789 -0.53703091 6.66975331
C 2.46339046 -1.24901717 6.81896698
H 4.57818705 -1.17409439 6.74294247
H 4.65325211 1.23213270 6.12691035
H 2.58229222 2.51142163 5.84986367
H 0.10818234 2.60490843 5.93932362
H -2.35976329 2.67032830 5.90173750
H -4.50537790 1.53577264 6.24898183
H -4.57355809 -0.87077005 6.87146904
H -2.48862929 -2.13601327 7.15391499
H -0.03028261 -2.20677585 7.11692390
H 2.41946407 -2.29646085 7.09191734
|
optimized_conformer_125.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.24810568 0.81254734 2.79549926
C 3.14139253 0.36233914 1.74870591
C 1.36494358 -0.07562221 3.37876860
C 3.11079089 -0.95423934 1.33195189
C 3.19795896 -1.26916107 -0.07844984
C 3.26270813 1.42705265 0.77519036
C 3.34761959 1.12822157 -0.57085231
C 3.31386055 -0.25210072 -1.00705151
C -0.40685167 1.61730739 3.34711571
C 0.51973982 2.54754747 2.73828451
C 0.00594276 0.33696476 3.66124746
C 1.81625347 2.15496472 2.46829334
C 2.44326818 2.53490185 1.22005693
C -0.21195595 3.34014193 1.77303200
C 0.38575933 3.70350185 0.58210475
C 1.74487177 3.29228383 0.29982514
C -2.11227129 -0.58151507 2.83678172
C -2.54362295 0.76160779 2.50934822
C -0.86751141 -0.78824663 3.39979432
C -1.71100564 1.83541531 2.75816033
C -1.59081577 2.90050514 1.78557083
C -3.29656099 0.70197223 1.27415595
C -3.18113510 1.71779580 0.34454292
C -2.30895613 2.84314546 0.60673122
C -0.51176563 -2.74549240 1.96799213
C -1.81820245 -2.53012369 1.37971498
C -0.04837634 -1.89576347 2.95420121
C -2.59963361 -1.47182715 1.80388826
C -3.33268200 -0.67911599 0.83877915
C -1.73245022 -2.84633828 -0.03112075
C -2.43066189 -2.09062820 -0.95210684
C -3.24729667 -0.98065344 -0.50717007
C 2.18411383 -1.88474776 1.94319156
C 1.69937577 -2.77629115 0.91087376
C 1.33118841 -1.45604192 2.94221229
C 0.38253612 -3.19542029 0.92149077
C -0.36988925 -3.25840959 -0.31428114
C 2.32655794 -2.39548307 -0.33846444
C 1.60916607 -2.45242552 -1.51778719
C 0.22944765 -2.89215320 -1.50243124
C -2.23110880 -0.36375946 -2.52790458
C -1.80027755 -1.70713324 -2.20213852
C -0.50379416 -2.09975983 -2.47144529
C -1.34630547 0.52450908 -3.11031797
C -2.16733992 2.33461627 -1.67598881
C -3.09407208 1.40346924 -1.06632870
C -3.12478300 0.08594617 -1.48084476
C -1.31433475 1.90498839 -2.67418457
C 0.52895972 3.19501343 -1.69998334
C -0.36554057 3.64369931 -0.65369839
C -1.68167918 3.22412488 -0.64145506
C 0.06498227 2.34665126 -2.68686545
C 2.12993907 1.03112201 -2.56996340
C 2.61599508 1.92175044 -1.53686792
C 1.83375768 2.97818592 -1.11102194
C 0.88513301 1.23933789 -3.13155968
C 0.42260375 -1.16797209 -3.07922181
C 1.72801840 -1.38550206 -2.49040244
C 2.56125675 -0.31196462 -2.24175569
C 0.01204510 0.11349582 -3.39306126
C 0.60730834 -6.65068405 -1.52511535
C 0.58490418 -5.98403277 -2.78564448
C -0.56292197 -5.42767282 -3.24767134
C -1.77408373 -5.50109884 -2.48647339
C -2.95883311 -4.91315056 -2.91959161
C -4.12688678 -4.99393966 -2.16649920
C -5.34622368 -4.37674166 -2.58928526
C -6.46858046 -4.46368123 -1.83353754
C -6.45796419 -5.17963587 -0.60025585
C -5.31991763 -5.77080400 -0.16097842
C -4.11168048 -5.69746409 -0.92476729
C -2.92438715 -6.27515270 -0.48617333
C -1.75488927 -6.18829791 -1.23425729
C -0.51986003 -6.74945999 -0.77865373
H 1.53599440 -7.07738125 -1.16767890
H 1.49655859 -5.91689402 -3.36701765
H -0.57903577 -4.90423228 -4.19733605
H -2.97199746 -4.36430955 -3.85614526
H -5.35127850 -3.82406448 -3.52156184
H -7.38366367 -3.98482310 -2.15698541
H -7.36759821 -5.24199209 -0.01553317
H -5.30536275 -6.30561190 0.78145645
H -2.91037172 -6.80095364 0.46239170
H -0.50610497 -7.25816889 0.17813283
|
optimized_conformer_126.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.31911933 0.84776850 2.62237699
C 3.22292478 0.40339842 1.58214830
C 1.43479525 -0.04524965 3.19622599
C 3.20039903 -0.91186873 1.16128237
C 3.29989113 -1.22472168 -0.24891883
C 3.34476851 1.46894445 0.60981974
C 3.43993902 1.17223677 -0.73591625
C 3.41879087 -0.20697619 -1.17543093
C -0.34418913 1.63974623 3.15376704
C 0.58339824 2.57548256 2.55420334
C 0.07165321 0.36062362 3.46841987
C 1.88348986 2.18855324 2.29320228
C 2.51746130 2.57231265 1.04948760
C -0.14450905 3.36608356 1.58364042
C 0.45988595 3.73223514 0.39704602
C 1.82279279 3.32741156 0.12475665
C -2.03665446 -0.56507471 2.62692912
C -2.47244390 0.77651016 2.29906754
C -0.79517327 -0.76741515 3.19917618
C -1.64497934 1.85281511 2.55504794
C -1.52173203 2.91996381 1.58480795
C -3.21639319 0.71470918 1.05771343
C -3.09692870 1.73200188 0.13028510
C -2.23112164 2.86074976 0.40094825
C -0.42014927 -2.72107266 1.76742301
C -1.72136562 -2.50699442 1.16867807
C 0.03234475 -1.87082032 2.75749394
C -2.51171113 -1.45622007 1.58878419
C -3.24104252 -0.66531395 0.61818006
C -1.62247198 -2.81979151 -0.24195968
C -2.31759583 -2.06926004 -1.16790541
C -3.14635757 -0.96525975 -0.72755405
C 2.27261069 -1.84676055 1.76277196
C 1.79881218 -2.73863569 0.72518625
C 1.41011877 -1.42419364 2.75556609
C 0.48458262 -3.16625944 0.72651705
C -0.25822125 -3.22734531 -0.51574342
C 2.43335773 -2.35319877 -0.51801629
C 1.72528997 -2.41189336 -1.70251545
C 0.34832285 -2.86085138 -1.70061399
C -2.11609661 -0.34124320 -2.73954489
C -1.68099449 -1.68319109 -2.41209395
C -0.38047623 -2.06932828 -2.67153962
C -1.23109920 0.55142264 -3.31405653
C -2.06908740 2.35491849 -1.88049425
C -2.99602428 1.41937971 -1.27948990
C -3.01919048 0.10270872 -1.69798818
C -1.20753978 1.93047451 -2.87338561
C 0.62211465 3.22668150 -1.88383566
C -0.28193244 3.67045347 -0.84440208
C -1.59641234 3.24610242 -0.84209843
C 0.16962335 2.37703586 -2.87439718
C 2.23831294 1.07110614 -2.74356049
C 2.71181623 1.96264326 -1.70596941
C 1.92306590 3.01565752 -1.28536424
C 0.99723694 1.27424393 -3.31498056
C 0.54650183 -1.13324378 -3.27214918
C 1.84819328 -1.34513683 -2.67392969
C 2.67543813 -0.26935604 -2.41600590
C 0.13148156 0.14619977 -3.58740936
C -4.62238167 -4.67438443 2.05602927
C -3.35382076 -5.18130488 2.46280586
C -2.48416075 -5.67662700 1.54805523
C -2.81584336 -5.69967136 0.15629544
C -1.93075241 -6.16493142 -0.81214307
C -2.26067747 -6.15120935 -2.16350315
C -1.35344346 -6.60487288 -3.17350290
C -1.70155500 -6.58066631 -4.48347776
C -2.98361325 -6.10064303 -4.88377184
C -3.86654064 -5.65068967 -3.95969887
C -3.53882648 -5.65841555 -2.56661052
C -4.42236879 -5.19339521 -1.59924982
C -4.08952165 -5.19878425 -0.24913393
C -4.97756523 -4.68703116 0.74812446
H -5.30057097 -4.27579576 2.80021650
H -3.08875992 -5.15589597 3.51193298
H -1.51370346 -6.04569518 1.85658386
H -0.95070910 -6.52166019 -0.51238894
H -0.37723498 -6.96436418 -2.87038990
H -1.00575424 -6.92313972 -5.23883963
H -3.24236016 -6.09506407 -5.93506025
H -4.83625606 -5.27274000 -4.26086882
H -5.38869996 -4.80650244 -1.90477225
H -5.94099105 -4.30341578 0.43329104
|
optimized_conformer_127.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.41951264 0.73371900 2.76614795
C 3.33263233 0.31258919 1.72466667
C 1.54679681 -0.17712564 3.32797528
C 3.33051801 -0.99906299 1.29160679
C 3.43689482 -1.29561954 -0.12185669
C 3.44366183 1.39052282 0.76460055
C 3.54626340 1.10886711 -0.58347760
C 3.54302056 -0.26617537 -1.03659400
C -0.25549963 1.48307286 3.30040199
C 0.66040458 2.43713442 2.71147486
C 0.17787102 0.20673055 3.60191001
C 1.96612937 2.07161387 2.44994620
C 2.59969896 2.47808756 1.21346668
C -0.07515129 3.22874592 1.74807807
C 0.52766708 3.61697222 0.56773975
C 1.89675896 3.23302468 0.29507321
C -1.91392266 -0.74064003 2.74579460
C -2.36734824 0.59844068 2.43005299
C -0.67101203 -0.93142169 3.31801782
C -1.55715347 1.68417902 2.69997944
C -1.44588413 2.76316207 1.74134839
C -3.10564673 0.54026306 1.18601146
C -2.99930367 1.56885158 0.27012789
C -2.15061310 2.70676646 0.55468807
C -0.26357120 -2.86527428 1.86783147
C -1.56569633 -2.66438088 1.26785289
C 0.17265577 -2.01905919 2.86951432
C -2.37111331 -1.62759746 1.69698026
C -3.10744184 -0.83521907 0.73186999
C -1.45645120 -2.95976506 -0.14685664
C -2.15585864 -2.20398496 -1.06549354
C -3.00115628 -1.11700638 -0.61499495
C 2.41481813 -1.95326918 1.88098624
C 1.95661763 -2.84112408 0.83215989
C 1.54364597 -1.55238234 2.87479663
C 0.64944349 -3.28626530 0.82492971
C -0.08962042 -3.34733085 -0.42032935
C 2.58761738 -2.43316705 -0.40554131
C 1.88410414 -2.49007617 -1.59314828
C 0.51357255 -2.95809793 -1.60076444
C -1.98401050 -0.46126221 -2.62145618
C -1.52898608 -1.80055300 -2.30599599
C -0.22355562 -2.16788232 -2.56597814
C -1.10926614 0.44962206 -3.18079336
C -1.97546343 2.22772344 -1.73160015
C -2.89126889 1.27215033 -1.14341506
C -2.89440766 -0.03890099 -1.57597125
C -1.10553482 1.82481129 -2.72542759
C 0.70287565 3.13690787 -1.71829958
C -0.20988391 3.55801704 -0.67687017
C -1.51795437 3.11434084 -0.68258157
C 0.26504201 2.29096877 -2.71863259
C 2.35158062 1.01263878 -2.59611588
C 2.80976927 1.89955105 -1.54742718
C 2.00467620 2.93617409 -1.11771873
C 1.10919483 1.20398862 -3.16823103
C 0.69216189 -1.21105489 -3.15270490
C 1.99460691 -1.41089011 -2.55210123
C 2.80424074 -0.32546897 -2.27973881
C 0.26040499 0.06611983 -3.45400754
C -4.26531001 -3.13050565 -4.38846244
C -5.08900179 -2.57242210 -3.36693677
C -5.13647909 -3.13920986 -2.13633164
C -4.34501859 -4.29067326 -1.82749185
C -4.31766880 -4.85070107 -0.55448290
C -3.49052881 -5.92900960 -0.25442650
C -3.41950279 -6.49227960 1.05913907
C -2.59481712 -7.53472302 1.32469665
C -1.78098030 -8.09610559 0.29698640
C -1.81394440 -7.58776576 -0.95843366
C -2.66539781 -6.48415474 -1.28016049
C -2.70127944 -5.93131742 -2.55592485
C -3.51388370 -4.84163753 -2.84918811
C -3.51542117 -4.23153029 -4.14198828
H -4.24558110 -2.67044938 -5.36773566
H -5.67290264 -1.68863962 -3.58877983
H -5.75959588 -2.71943465 -1.35646446
H -4.93440477 -4.42041707 0.22810510
H -4.03663167 -6.06522051 1.84078181
H -2.54399842 -7.94585625 2.32435523
H -1.13010355 -8.92846148 0.53087457
H -1.19309741 -8.00725807 -1.74144927
H -2.07391183 -6.34834272 -3.33805555
H -2.89209598 -4.66258827 -4.91692404
|
optimized_conformer_128.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.21970725 0.80269919 2.78935394
C 3.12660393 0.36885476 1.74876994
C 1.34635860 -0.10078053 3.36387196
C 3.11766086 -0.94678503 1.32823581
C 3.21964520 -1.25774571 -0.08208217
C 3.23785046 1.43654525 0.77823117
C 3.33606111 1.14146635 -0.56789205
C 3.32696976 -0.23743429 -1.00786265
C -0.45026803 1.56601247 3.32734366
C 0.46698391 2.51151505 2.72693661
C -0.01985180 0.29071377 3.63920054
C 1.77115911 2.13943160 2.46320433
C 2.40050744 2.53159998 1.21963538
C -0.26940654 3.29436028 1.75722972
C 0.32952635 3.67010042 0.57018314
C 1.69658275 3.28041597 0.29620764
C -2.11715928 -0.65711149 2.79839690
C -2.56679398 0.67914193 2.47162364
C -0.87371932 -0.84646174 3.36961573
C -1.75334813 1.76573197 2.72995479
C -1.64193893 2.83408387 1.76003188
C -3.30995955 0.60963780 1.23167299
C -3.20450324 1.62936793 0.30578498
C -2.35172696 2.76742418 0.57654242
C -0.47869103 -2.79562198 1.93651556
C -1.78356874 -2.59785923 1.33971700
C -0.03546635 -1.94067126 2.92729535
C -2.58290926 -1.55235866 1.76052321
C -3.32179071 -0.77005626 0.79251592
C -1.68336137 -2.90987282 -0.07125808
C -2.38752386 -2.16318065 -0.99655593
C -3.22443861 -1.06776521 -0.55345815
C 2.20321179 -1.89349650 1.93123277
C 1.73866473 -2.78939277 0.89303611
C 1.33729548 -1.48058237 2.92579137
C 0.42896789 -3.22995854 0.89471234
C -0.31464946 -3.29662227 -0.34534871
C 2.36859292 -2.39721857 -0.35125522
C 1.65975575 -2.46228158 -1.53557434
C 0.28663066 -2.92167242 -1.52990754
C -2.20579446 -0.43015908 -2.56585796
C -1.75675898 -1.76828654 -2.24065998
C -0.45193167 -2.14070417 -2.50151536
C -1.32997056 0.47232046 -3.13925598
C -2.18636496 2.26459825 -1.70479927
C -3.10228551 1.31881941 -1.10403452
C -3.11189699 0.00244805 -1.52296483
C -1.32101895 1.85090513 -2.69892505
C 0.49502605 3.16767338 -1.71123274
C -0.41313627 3.60171120 -0.67097642
C -1.72240761 3.16021856 -0.66681597
C 0.05054096 2.31330103 -2.70170118
C 2.13373221 1.03035327 -2.57448860
C 2.59849654 1.92513066 -1.53602937
C 1.79814009 2.96903184 -1.11363626
C 0.88963581 1.22036409 -3.14356471
C 0.46495338 -1.19368089 -3.10299833
C 1.76950747 -1.39263746 -2.50626603
C 2.58333299 -0.30625174 -2.24751633
C 0.03640045 0.08232798 -3.41399262
C 2.99041011 -6.82110033 -1.14611132
C 2.98476249 -6.20859213 -2.43423201
C 1.81874311 -5.82670055 -3.01113926
C 0.56819502 -6.03837498 -2.34896903
C -0.64668723 -5.66548517 -2.91720048
C -1.84956284 -5.83810095 -2.24018330
C -3.10437192 -5.43862530 -2.79989857
C -4.26158562 -5.63487698 -2.12175655
C -4.25169962 -6.23692513 -0.82894904
C -3.08219882 -6.61327692 -0.25739469
C -1.83909305 -6.42713279 -0.94019443
C -0.62747327 -6.81507814 -0.37962051
C 0.57651203 -6.63505535 -1.05290023
C 1.82817905 -7.02326406 -0.47960468
H 3.93095752 -7.12380987 -0.70345532
H 3.92351534 -6.04727639 -2.94880490
H 1.81815261 -5.34181125 -3.98048492
H -0.65445885 -5.21613790 -3.90452225
H -3.11225993 -4.97337870 -3.77836765
H -5.20440076 -5.33782083 -2.56214506
H -5.18623731 -6.39009317 -0.30480093
H -3.06866799 -7.06907859 0.72512495
H -0.62340066 -7.27275326 0.60346637
H 1.82685898 -7.48531173 0.50080408
|
optimized_conformer_129.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.18220791 0.79365211 2.67825285
C 3.07854483 0.34571651 1.63402408
C 1.29578224 -0.09572715 3.25448627
C 3.04871910 -0.97020890 1.21368252
C 3.14202653 -1.28247352 -0.19719741
C 3.20357449 1.41234179 0.66359897
C 3.29359197 1.11549159 -0.68249503
C 3.26218499 -0.26354678 -1.12281654
C -0.47606329 1.59776542 3.22247874
C 0.45372799 2.52859778 2.61848575
C -0.06417586 0.31646975 3.53341828
C 1.75142663 2.13687246 2.35246042
C 2.38330583 2.51976647 1.10746515
C -0.27360424 3.32322381 1.65154541
C 0.32867863 3.68905326 0.46352712
C 1.68893453 3.27894071 0.18580604
C -2.17867805 -0.59951141 2.69790055
C -2.60928107 0.74361081 2.37316674
C -0.93622071 -0.80735413 3.26505549
C -1.77757339 1.81691584 2.62844889
C -1.65273859 2.88334528 1.65775822
C -3.35690379 0.68600978 1.13446258
C -3.23770059 1.70322244 0.20747319
C -2.36642167 2.82765079 0.47642574
C -0.57453194 -2.76207959 1.83182434
C -1.87820175 -2.54466061 1.23827851
C -0.11561732 -1.91506243 2.82175405
C -2.66108371 -1.48782502 1.66085039
C -3.38916544 -0.69288978 0.69425772
C -1.78594805 -2.85706726 -0.17352053
C -2.47865084 -2.09769203 -1.09690953
C -3.29964945 -0.99115799 -0.65216926
C 2.12090742 -1.90220925 1.81890289
C 1.63884360 -2.79085138 0.78144532
C 1.26366303 -1.47460281 2.81464071
C 0.32279035 -3.20736102 0.78633469
C -0.42576786 -3.26338707 -0.45327374
C 2.27265206 -2.40874051 -0.46595222
C 1.55995850 -2.46350041 -1.64806287
C 0.17779678 -2.90358220 -1.64123272
C -2.27717232 -0.37068760 -2.66749558
C -1.84664376 -1.71487672 -2.34286074
C -0.54930827 -2.10946166 -2.60858146
C -1.38948627 0.51812380 -3.24254201
C -2.21516084 2.32408384 -1.80592742
C -3.14406737 1.39188201 -1.20305201
C -3.17512143 0.07612796 -1.62285751
C -1.35872223 1.89692883 -2.80224200
C 0.48057351 3.18432739 -1.81831540
C -0.41800568 3.63066440 -0.77493734
C -1.73405892 3.21104950 -0.76802020
C 0.02037909 2.33760857 -2.80793847
C 2.08416945 1.02217381 -2.68595158
C 2.56558297 1.91033293 -1.64891520
C 1.78270783 2.96657268 -1.22467405
C 0.84178740 1.23141826 -3.25177399
C 0.38077457 -1.17611401 -3.21083084
C 1.68389415 -1.39536505 -2.61794386
C 2.51530034 -0.32157630 -2.36115092
C -0.02940834 0.10628505 -3.51977316
C -2.84414641 -6.73365787 1.46217459
C -1.59648986 -6.65816875 2.14905027
C -0.43717565 -6.52317153 1.45916196
C -0.43500679 -6.45175822 0.02922673
C 0.73738718 -6.30132238 -0.70658410
C 0.71175180 -6.16945903 -2.09113707
C 1.89998700 -5.96837967 -2.86331863
C 1.83978640 -5.81913228 -4.20954767
C 0.58556313 -5.85872779 -4.88873747
C -0.56318425 -6.03942473 -4.19240065
C -0.54297590 -6.19919639 -2.77153234
C -1.71151463 -6.36817529 -2.03880905
C -1.68742835 -6.49764849 -0.65473521
C -2.88641294 -6.65297116 0.10991527
H -3.75819512 -6.84820322 2.03120876
H -1.58160717 -6.70744166 3.23088579
H 0.50734634 -6.45141590 1.98501984
H 1.68881861 -6.24697636 -0.18697872
H 2.85341034 -5.92572169 -2.35016993
H 2.74967066 -5.66672055 -4.77716692
H 0.55611156 -5.73852994 -5.96438570
H -1.52117420 -6.06240453 -4.69852407
H -2.66201651 -6.39438444 -2.56061921
H -3.83181399 -6.70207567 -0.41718725
|
optimized_conformer_13.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.17296530 0.62003262 2.46196343
C 3.07306212 0.18717425 1.41342053
C 1.29174664 -0.27933197 3.02771095
C 3.05214230 -1.12475567 0.98116097
C 3.14721516 -1.42511475 -0.43193873
C 3.18972349 1.26327519 0.45169607
C 3.27866057 0.97741864 -0.89719499
C 3.25743356 -0.39750037 -1.34863496
C -0.48945224 1.40214473 3.01684973
C 0.43467888 2.34643228 2.41913362
C -0.07168778 0.12080376 3.31280741
C 1.73460374 1.96578983 2.14858702
C 2.36226288 2.36145041 0.90573002
C -0.29929777 3.14314243 1.45853410
C 0.29907277 3.52215980 0.27198461
C 1.66066134 3.12221767 -0.01019296
C -2.17984354 -0.80381439 2.47404450
C -2.61786080 0.54035164 2.15925634
C -0.93619951 -1.00871884 3.03967154
C -1.79340069 1.61753071 2.42379428
C -1.67566082 2.69264335 1.46122443
C -3.36488859 0.48868024 0.91989849
C -3.25312719 1.51434394 0.00098664
C -2.38920652 2.64152805 0.27898227
C -0.55964729 -2.94737423 1.58616656
C -1.86369574 -2.73175365 0.99447670
C -0.10691577 -2.10723745 2.58496716
C -2.65451450 -1.68498305 1.42688873
C -3.38761834 -0.88648712 0.46760130
C -1.76940112 -3.03113024 -0.41879222
C -2.46858222 -2.26948760 -1.33521809
C -3.29675034 -1.17311887 -0.88106094
C 2.13022233 -2.06817997 1.57868323
C 1.65327715 -2.94975727 0.53367717
C 1.27069384 -1.65631535 2.57986704
C 0.34031035 -3.37911324 0.53676620
C -0.40747411 -3.43156581 -0.70179013
C 2.28241956 -2.55301604 -0.70843314
C 1.56875118 -2.60142320 -1.89035471
C 0.19316588 -3.05096098 -1.88627215
C -2.28176106 -0.52947202 -2.89151342
C -1.84088626 -1.87220482 -2.57781609
C -0.54106829 -2.25472930 -2.84682935
C -1.40016873 0.36976892 -3.45979901
C -2.23735154 2.15890874 -2.00914991
C -3.15951531 1.21527348 -1.41287321
C -3.18151372 -0.09727442 -1.84280480
C -1.37850502 1.74527104 -3.00926845
C 0.45175608 3.03677573 -2.01535354
C -0.44840151 3.46857854 -0.96688136
C -1.76156329 3.03987383 -0.96314467
C -0.00271901 2.19570240 -3.01262670
C 2.06998368 0.89260270 -2.90207321
C 2.54510260 1.77469294 -1.85714523
C 1.75522921 2.82148990 -1.42320468
C 0.82571905 1.09857877 -3.46617987
C 0.38119431 -1.31205593 -3.44411199
C 1.68509226 -1.52629402 -2.85251138
C 2.50955256 -0.45021982 -2.58712749
C -0.03791299 -0.03005384 -3.74241423
C -2.38981263 -2.80745132 6.59237709
C -1.22903664 -3.52965864 6.18724480
C -0.04031253 -2.89506422 6.03611786
C 0.07888460 -1.49111014 6.28539743
C 1.28308480 -0.80990369 6.13901580
C 1.36701931 0.56625918 6.33138111
C 2.58153119 1.29375462 6.12658536
C 2.62901326 2.63609929 6.31450538
C 1.46325653 3.35449022 6.71142113
C 0.29082631 2.70317133 6.90049459
C 0.19847389 1.28821378 6.71665941
C -0.99852594 0.60296638 6.89017895
C -1.08760486 -0.76692402 6.67575965
C -2.32108402 -1.47498639 6.82365435
H -3.33047636 -3.33031239 6.70983681
H -1.30786596 -4.59159680 5.99685754
H 0.83926409 -3.43893455 5.71317926
H 2.17115340 -1.35977610 5.84571025
H 3.46272736 0.75197036 5.80465203
H 3.55602162 3.17311325 6.16418268
H 1.51765897 4.42655043 6.85479625
H -0.59918319 3.24700574 7.19197254
H -1.88263014 1.15000670 7.19836391
H -3.20246302 -0.92313433 7.12596410
|
optimized_conformer_130.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.30577828 0.78356578 2.68507562
C 3.20691637 0.35006658 1.63878220
C 1.42994622 -0.11761716 3.25902577
C 3.19124547 -0.96380060 1.21205850
C 3.28583329 -1.26870660 -0.20019687
C 3.32051680 1.42249381 0.67327089
C 3.41098470 1.13337436 -0.67468452
C 3.39283662 -0.24411289 -1.12093179
C -0.35874159 1.55713358 3.23521057
C 0.56031339 2.50157917 2.63621255
C 0.06633315 0.27863422 3.54114796
C 1.86155786 2.12380804 2.36662817
C 2.48809385 2.51824067 1.12288788
C -0.17662386 3.29364267 1.67429114
C 0.42022366 3.66998987 0.48659633
C 1.78358190 3.27340488 0.20551271
C -2.03895574 -0.65466431 2.70398297
C -2.48456442 0.68581093 2.38606165
C -0.79381689 -0.85358891 3.26872251
C -1.66338817 1.76620868 2.64482135
C -1.55078352 2.83852766 1.67940368
C -3.23322008 0.62683474 1.14800600
C -3.12596898 1.64949138 0.22543790
C -2.26507383 2.78092832 0.49838844
C -0.41177998 -2.79860004 1.82617879
C -1.71768520 -2.58808281 1.23446054
C 0.03846690 -1.95012866 2.81892825
C -2.51346062 -1.54216087 1.66359480
C -3.24944400 -0.75038726 0.70105436
C -1.62217564 -2.88935622 -0.17784012
C -2.32656250 -2.13802606 -1.09693248
C -3.15879965 -1.04270470 -0.64662790
C 2.27341527 -1.90753223 1.81364075
C 1.80165520 -2.79803043 0.77353231
C 1.41283274 -1.49446646 2.81267534
C 0.49019749 -3.23198595 0.77803805
C -0.25746468 -3.28732193 -0.46019056
C 2.42661583 -2.40191384 -0.47168720
C 1.71318291 -2.45925783 -1.65396707
C 0.33831226 -2.91615737 -1.64807831
C -2.14559500 -0.40286372 -2.66058044
C -1.70141458 -1.74381113 -2.34470918
C -0.40054804 -2.12321433 -2.61225871
C -1.26760035 0.49826160 -3.23256109
C -2.11047322 2.28899021 -1.78609805
C -3.02860576 1.34438787 -1.18637301
C -3.04579935 0.03039672 -1.61225723
C -1.25025097 1.87457691 -2.78436853
C 0.57543306 3.17886384 -1.79857784
C -0.32674168 3.61091744 -0.75191911
C -1.63810252 3.17658020 -0.74504805
C 0.12353973 2.33022343 -2.79069471
C 2.20068395 1.03562282 -2.67781505
C 2.67357009 1.92472647 -1.63712087
C 1.87993372 2.97075853 -1.20675094
C 0.95519872 1.23416098 -3.24112697
C 0.51835910 -1.17810081 -3.21118135
C 1.82384129 -1.38512561 -2.61884405
C 2.64537811 -0.30461410 -2.35870394
C 0.09498961 0.10197939 -3.51503518
C -2.08707652 -5.37859012 -4.76213101
C -3.22937693 -5.09165697 -3.95799467
C -3.19789616 -5.29798294 -2.61819885
C -2.02500803 -5.81444849 -1.98175677
C -1.96317549 -6.03964528 -0.61026290
C -0.79189478 -6.47545691 0.00118906
C -0.69104648 -6.65951496 1.41605550
C 0.46987468 -7.06924345 1.98350754
C 1.62036220 -7.32227736 1.17977166
C 1.56656779 -7.15211776 -0.16289861
C 0.36120196 -6.72434477 -0.80132878
C 0.28878644 -6.53367816 -2.17555328
C -0.87530800 -6.07857635 -2.78417655
C -0.95080442 -5.84927415 -4.19356736
H -2.13118086 -5.20892541 -5.83073600
H -4.12484103 -4.70391314 -4.42681807
H -4.05930610 -5.06087774 -2.00518873
H -2.83918105 -5.84587657 -0.00080422
H -1.55929844 -6.45283173 2.03027044
H 0.52993190 -7.20432681 3.05564910
H 2.53966570 -7.64730972 1.64985973
H 2.43847097 -7.33436969 -0.77901732
H 1.16144566 -6.74094974 -2.78443246
H -0.07700019 -6.06007350 -4.79829719
|
optimized_conformer_131.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.21424043 0.82473259 2.79798955
C 3.12030291 0.38982435 1.75609517
C 1.33735263 -0.07687760 3.36961421
C 3.10914487 -0.92522079 1.33305686
C 3.21282075 -1.23294977 -0.07835554
C 3.23671076 1.46100765 0.78898611
C 3.33603956 1.16856955 -0.55738258
C 3.32435018 -0.21018296 -1.00111085
C -0.45573810 1.59522771 3.33345024
C 0.46469076 2.53880632 2.73450598
C -0.02893698 0.31830182 3.64430281
C 1.76831814 2.16371197 2.47322437
C 2.40057560 2.55732180 1.23159833
C -0.26870133 3.32648503 1.76629916
C 0.33363851 3.70341276 0.58162819
C 1.70002147 3.31017584 0.30864489
C -2.12834380 -0.62191212 2.79746277
C -2.57575470 0.71694431 2.47437061
C -0.88601344 -0.81621746 3.36912323
C -1.75833427 1.79975316 2.73509146
C -1.64270796 2.86990473 1.76666448
C -3.31777006 0.65318266 1.23239806
C -3.20767391 1.67430838 0.30798088
C -2.35110006 2.80907141 0.58229497
C -0.49352159 -2.76404117 1.93212925
C -1.79683933 -2.55953009 1.33392498
C -0.04955167 -1.91245190 2.92562777
C -2.59461052 -1.51327731 1.75608648
C -3.32966663 -0.72547424 0.78919945
C -1.69485710 -2.86779398 -0.07796947
C -2.39574845 -2.11605062 -1.00185146
C -3.23069967 -1.01973744 -0.55711735
C 2.19035088 -1.87099385 1.93217103
C 1.72517830 -2.76447485 0.89137678
C 1.32421049 -1.45570010 2.92612446
C 0.41410407 -3.20072756 0.89063912
C -0.32880250 -3.26088732 -0.35156475
C 2.35878652 -2.36957277 -0.35187279
C 1.65077149 -2.42628973 -1.53602437
C 0.27457213 -2.87807006 -1.53184153
C -2.20891473 -0.38098980 -2.56741463
C -1.76327620 -1.72017937 -2.24379852
C -0.45951850 -2.09585049 -2.50424309
C -1.32989037 0.52005251 -3.13720438
C -2.18503447 2.31317172 -1.70127193
C -3.10416153 1.36725247 -1.10318344
C -3.11598754 0.05198294 -1.52495172
C -1.31883482 1.89863924 -2.69463189
C 0.50087457 3.20767755 -1.70167947
C -0.40777906 3.64060294 -0.66054965
C -1.71896083 3.20425075 -0.65950868
C 0.05494680 2.35714545 -2.69471162
C 2.13532990 1.06624763 -2.56659109
C 2.60185429 1.95753418 -1.52518891
C 1.80350208 3.00315196 -1.10241301
C 0.89239935 1.26184472 -3.13702712
C 0.46122648 -1.15097420 -3.10319228
C 1.76585669 -1.35658450 -2.50601659
C 2.58216227 -0.27318936 -2.24291768
C 0.03615857 0.12659732 -3.41164650
C 5.39457502 -6.06901906 -0.82907310
C 5.39920617 -5.41100722 -2.09383715
C 4.24746037 -5.24097840 -2.78956366
C 2.99820977 -5.70852775 -2.27078520
C 1.79144777 -5.50516980 -2.93684367
C 0.57972230 -5.90539398 -2.37930151
C -0.68008320 -5.62231125 -3.00089631
C -1.84540139 -5.95012498 -2.39048823
C -1.84180357 -6.61485180 -1.12788989
C -0.67216519 -6.91592830 -0.51482960
C 0.57939337 -6.55721976 -1.10834279
C 1.78683281 -6.78502640 -0.45870493
C 2.99509329 -6.36360978 -1.00271392
C 4.23361117 -6.53310404 -0.30704847
H 6.32476326 -6.18981544 -0.28743582
H 6.33567244 -5.03970657 -2.48927566
H 4.25420613 -4.72994625 -3.74502949
H 1.79504183 -4.98318410 -3.88972148
H -0.68527497 -5.10944753 -3.95659531
H -2.79133686 -5.70465241 -2.85630180
H -2.78384015 -6.87710539 -0.66394283
H -0.66368228 -7.42445571 0.44203940
H 1.78633564 -7.28262428 0.50495622
H 4.22156551 -7.02904760 0.65639421
|
optimized_conformer_132.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.05403603 0.79812996 2.76392979
C 2.96338620 0.36511973 1.72344133
C 1.17821654 -0.10528586 3.33448295
C 2.95662423 -0.95004732 1.30221369
C 3.05868707 -1.25789842 -0.11017741
C 3.07664110 1.43512277 0.75413655
C 3.17540707 1.14186055 -0.59254756
C 3.16822914 -0.23680772 -1.03542477
C -0.61686518 1.56115129 3.29587602
C 0.30180761 2.50754090 2.69845342
C -0.18894969 0.28527127 3.60781303
C 1.60657859 2.13598494 2.43834732
C 2.23858365 2.52977231 1.19626069
C -0.43307579 3.29337083 1.72989785
C 0.16851750 3.66985792 0.54469516
C 1.53549711 3.27855940 0.27224396
C -2.28467471 -0.66153873 2.76119770
C -2.73284902 0.67641163 2.43624317
C -1.04275789 -0.85255350 3.33461955
C -1.91888596 1.76202224 2.69678830
C -1.80524258 2.83186403 1.72871812
C -3.47337360 0.61022475 1.19415982
C -3.36686041 1.63106365 0.26982636
C -2.51277617 2.76724294 0.54414385
C -0.64376838 -2.79984400 1.89796568
C -1.94682814 -2.59868851 1.29798281
C -0.20285573 -1.94644709 2.89178741
C -2.74716961 -1.55439403 1.71896434
C -3.48293203 -0.76860599 0.75174565
C -1.84415987 -2.90930632 -0.11296535
C -2.54545872 -2.15834083 -1.03721282
C -3.38385031 -1.06386697 -0.59425732
C 2.03832978 -1.89724394 1.90116320
C 1.57331570 -2.79072317 0.86015534
C 1.16919820 -1.48419905 2.89253753
C 0.26503668 -3.23520265 0.85819076
C -0.47673676 -3.30306857 -0.38593240
C 2.20044629 -2.39040939 -0.38203011
C 1.49506077 -2.45491529 -1.56704038
C 0.12547287 -2.92545138 -1.57126866
C -2.36399588 -0.42386261 -2.60354038
C -1.91456698 -1.76280967 -2.27968188
C -0.61109866 -2.13738305 -2.54002817
C -1.48753277 0.47852012 -3.17386280
C -2.34626384 2.27056369 -1.73922851
C -3.26434339 1.32381967 -1.14153670
C -3.27306858 0.00768722 -1.56250683
C -1.47875921 1.85735445 -2.73215806
C 0.33721723 3.17009215 -1.73821296
C -0.57225823 3.60200872 -0.69772207
C -1.88164504 3.16224739 -0.69722898
C -0.10582249 2.31815733 -2.73160242
C 1.97682223 1.03250183 -2.60376367
C 2.43944540 1.92633231 -1.56204117
C 1.63942793 2.96957240 -1.13863581
C 0.73338111 1.22459471 -3.17462749
C 0.30737984 -1.18904035 -3.13795899
C 1.61090456 -1.38958654 -2.53888284
C 2.42628805 -0.30474726 -2.27755609
C -0.12032846 0.08745699 -3.44804909
C 0.12376126 -8.14375612 0.63945152
C 1.09785199 -7.66010308 1.56144620
C 2.09593905 -6.84187697 1.14603570
C 2.19531720 -6.44007011 -0.22401969
C 3.19059952 -5.57726102 -0.67511812
C 3.23369810 -5.14718574 -1.99870610
C 4.19957178 -4.19626864 -2.46340186
C 4.16673033 -3.73870812 -3.73919471
C 3.17598961 -4.20796328 -4.65221562
C 2.25112883 -5.11430643 -4.25467036
C 2.24089884 -5.61250321 -2.91331926
C 1.26819297 -6.50162807 -2.46940696
C 1.21485282 -6.91808660 -1.14443026
C 0.18305945 -7.78623813 -0.66601143
H -0.66817406 -8.79257600 0.99286448
H 1.02534057 -7.94808781 2.60206803
H 2.82616646 -6.46457582 1.85166520
H 3.92537738 -5.20412978 0.03212539
H 4.93750458 -3.82034079 -1.76301547
H 4.88567512 -3.00106951 -4.07293149
H 3.16744004 -3.82864817 -5.66584325
H 1.49449763 -5.46907620 -4.94404039
H 0.51970466 -6.86253710 -3.16612124
H -0.55901256 -8.14377866 -1.36990182
|
optimized_conformer_133.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.16073226 0.81550030 2.62292694
C 3.05954566 0.37679357 1.57559673
C 1.27579164 -0.08029828 3.19093182
C 3.03384798 -0.93538206 1.14478016
C 3.12932526 -1.23837406 -0.26897675
C 3.18234969 1.45136392 0.61302893
C 3.27274537 1.16448335 -0.73477483
C 3.24610805 -0.21190654 -1.18561779
C -0.49857749 1.61034382 3.17029848
C 0.42942498 2.54824404 2.57482618
C -0.08506515 0.32753047 3.47150604
C 1.72767466 2.16042161 2.30644473
C 2.35912825 2.55345349 1.06434063
C -0.29913656 3.34923384 1.61395586
C 0.30277661 3.72525414 0.42889828
C 1.66346184 3.31822199 0.14849036
C -2.19774439 -0.58524570 2.62855844
C -2.63081178 0.75957804 2.31368124
C -0.95545980 -0.79575179 3.19500228
C -1.80033470 1.83140532 2.57709539
C -1.67691533 2.90538782 1.61491446
C -3.37785612 0.71081045 1.07408665
C -3.25956215 1.73495824 0.15494532
C -2.38943404 2.85800874 0.43260337
C -0.58856690 -2.73715306 1.74557239
C -1.89244296 -2.51708567 1.15296170
C -0.13202038 -1.89806284 2.74358252
C -2.67768445 -1.46621866 1.58399998
C -3.40628278 -0.66457062 0.62304716
C -1.79705794 -2.81904799 -0.26087163
C -2.49223784 -2.05438483 -1.17802087
C -3.31520531 -0.95224439 -0.72494249
C 2.10549658 -1.87366516 1.74146355
C 1.62583765 -2.75146801 0.69734342
C 1.24670848 -1.45619031 2.74050936
C 0.31053130 -3.16955645 0.69830140
C -0.43558852 -3.22425766 -0.54148757
C 2.26008108 -2.36460851 -0.54588918
C 1.54890159 -2.41250369 -1.72980435
C 0.16814610 -2.85363511 -1.72722926
C -2.29297586 -0.31577537 -2.73417586
C -1.85988361 -1.66127133 -2.41946352
C -0.56142379 -2.05150542 -2.68672156
C -1.40642338 0.57803995 -3.30212011
C -2.23616692 2.37163921 -1.85333339
C -3.16491518 1.43452853 -1.25801814
C -3.19312487 0.12208116 -1.68773435
C -1.37837853 1.95348212 -2.85188570
C 0.45753071 3.23698028 -1.85734633
C -0.44239385 3.67467501 -0.81121554
C -1.75706854 3.25168071 -0.80865313
C -0.00008324 2.39732419 -2.85415423
C 2.06577507 1.08305676 -2.74042301
C 2.54381872 1.96464669 -1.69594687
C 1.75898985 3.01636718 -1.26406364
C 0.82326377 1.29514559 -3.30510473
C 0.36734204 -1.11277945 -3.28238784
C 1.67089076 -1.33524729 -2.69101914
C 2.50025469 -0.26204539 -2.42597662
C -0.04541753 0.17075976 -3.58164398
C 1.19792022 -6.47312588 -4.82661725
C -0.09208062 -6.68236618 -4.25679100
C -0.26174745 -6.66617242 -2.91173715
C 0.84689157 -6.43873494 -2.03602459
C 0.70187917 -6.39795584 -0.65239004
C 1.78242607 -6.13530522 0.18356123
C 1.64386101 -6.04888167 1.60589920
C 2.70510226 -5.74316650 2.39062736
C 3.98911902 -5.50999061 1.81387056
C 4.16542178 -5.59540283 0.47316111
C 3.06808115 -5.90276015 -0.39159217
C 3.21805510 -5.96446628 -1.77190783
C 2.13636154 -6.21979898 -2.60819249
C 2.27227301 -6.25179753 -4.03126780
H 1.30998203 -6.49089384 -5.90276572
H -0.93883454 -6.84672965 -4.91055546
H -1.24370915 -6.81727979 -2.47835785
H -0.27979196 -6.56006026 -0.21850838
H 0.66614676 -6.21569693 2.04192076
H 2.58622621 -5.66507884 3.46357562
H 4.82604737 -5.27447214 2.45857083
H 5.13992409 -5.42852404 0.02901490
H 4.19892793 -5.79572283 -2.20414123
H 3.25357639 -6.08834318 -4.46043435
|
optimized_conformer_134.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.16128941 1.07549117 2.63613418
C 3.02700555 0.68429253 1.54540149
C 1.36013911 0.12799885 3.24522777
C 3.06660299 -0.63067744 1.12616793
C 3.09587728 -0.94983743 -0.28652422
C 3.02178136 1.75140402 0.56764884
C 3.04751794 1.44380729 -0.78188889
C 3.08889411 0.06544782 -1.21042438
C -0.51414872 1.70402468 3.32859661
C 0.31967066 2.68935165 2.67335945
C -0.00543557 0.45045876 3.60686415
C 1.62482511 2.38582370 2.33596077
C 2.15981915 2.80286403 1.05483718
C -0.51137688 3.43323011 1.75160821
C -0.00248449 3.83594852 0.53187575
C 1.36157368 3.50828645 0.17326317
C -2.11492144 -0.59300094 2.91550101
C -2.64327519 0.72016063 2.61642463
C -0.82364382 -0.72299342 3.39120706
C -1.86105621 1.84137475 2.81682218
C -1.85781408 2.90991919 1.83945945
C -3.45616888 0.60963530 1.42041547
C -3.44747232 1.62681188 0.48342437
C -2.63363062 2.80538574 0.70156513
C -0.43858208 -2.64126938 1.92914160
C -1.78886735 -2.52404688 1.44442651
C 0.02781003 -1.76812934 2.87421581
C -2.60373527 -1.51256847 1.91066803
C -3.43221746 -0.76838566 0.98647699
C -1.74994176 -2.83197855 0.03052778
C -2.53690681 -2.13247421 -0.84852861
C -3.38781517 -1.07108023 -0.36500152
C 2.21815978 -1.60834078 1.75529347
C 1.75552946 -2.52795105 0.70650320
C 1.39018009 -1.23802986 2.78435589
C 0.40601241 -3.04510618 0.79636865
C -0.37683058 -3.16894819 -0.31894809
C 2.29195014 -2.15012693 -0.49794041
C 1.63491818 -2.43975788 -1.81222348
C 0.15235751 -3.02673830 -1.70819380
C -2.50697077 -0.39748681 -2.42732549
C -1.97456109 -1.70470062 -2.13984903
C -0.68749807 -2.02901774 -2.48192462
C -1.72441790 0.54847356 -3.06273113
C -2.58055040 2.30442556 -1.58338392
C -3.41093073 1.31566530 -0.92623562
C -3.37455083 -0.00402869 -1.33860200
C -1.76370355 1.93420514 -2.63209777
C 0.04512432 3.33293612 -1.75555695
C -0.81516980 3.72814454 -0.65966099
C -2.09892093 3.22447233 -0.57525668
C -0.42023257 2.46020636 -2.71891791
C 1.72046682 1.25816216 -2.70097271
C 2.20905429 2.18044657 -1.69960824
C 1.39051772 3.19485326 -1.23648312
C 0.43930646 1.39657291 -3.20376755
C 0.14242701 -1.03398909 -3.09480713
C 1.48283707 -1.16706417 -2.61137891
C 2.24608389 -0.04973693 -2.40986912
C -0.36876625 0.22748757 -3.40704839
C 7.86593173 -5.82307412 -0.63391095
C 8.04664605 -4.75163919 -1.53601918
C 6.96844927 -4.17265421 -2.14262564
C 5.65533049 -4.62661573 -1.87051569
C 4.51318462 -4.01750869 -2.45057604
C 3.25017127 -4.43859644 -2.15056282
C 2.04990385 -3.69687060 -2.66247549
C 0.64964137 -4.32229192 -2.45277464
C 0.62244046 -5.52198341 -1.56443207
C 1.71250607 -6.03832359 -1.00714966
C 3.06747699 -5.53879928 -1.26643536
C 4.15577113 -6.13972521 -0.69577758
C 5.47302957 -5.69744908 -0.96639290
C 6.61115355 -6.28724350 -0.36094745
H 8.72890580 -6.27286192 -0.15875761
H 9.04528267 -4.38706730 -1.73807790
H 7.10080951 -3.34821931 -2.83317918
H 4.65978854 -3.18090919 -3.12735287
H 2.21308339 -3.39678836 -3.69721954
H 0.09073477 -4.51081662 -3.37133287
H -0.35181437 -5.94362066 -1.34105663
H 1.62467712 -6.88819541 -0.34002043
H 4.00764971 -6.96938808 -0.01237169
H 6.47070030 -7.11112673 0.32897290
|
optimized_conformer_135.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.27728357 0.61610607 2.46573869
C 3.18090826 0.18240781 1.42166907
C 1.39656839 -0.28457554 3.03512363
C 3.16357421 -1.13098083 0.99292008
C 3.26310470 -1.43275832 -0.41899996
C 3.30102656 1.25662375 0.45859887
C 3.39681161 0.96885633 -0.88925357
C 3.37703302 -0.40699151 -1.33754720
C -0.38827074 1.39565735 3.00727554
C 0.53536274 2.33800911 2.41220074
C 0.03286730 0.11568927 3.30716339
C 1.83732659 1.95829920 2.14740985
C 2.47031441 2.35463986 0.90659520
C -0.19515007 3.13237850 1.44627462
C 0.40812163 3.51042615 0.26248437
C 1.77249511 3.11338412 -0.01338937
C -2.07218566 -0.81289754 2.46118174
C -2.51417886 0.53106021 2.14364045
C -0.83006621 -1.01516193 3.02888582
C -1.69177442 1.60879670 2.40893481
C -1.57153064 2.68262928 1.44567796
C -3.25527815 0.47497160 0.90140759
C -3.14177773 1.49988469 -0.01843706
C -2.28085573 2.62897050 0.26078812
C -0.44830867 -2.95808773 1.58565973
C -1.74998165 -2.74372328 0.98825407
C 0.00070453 -2.11480846 2.58371892
C -2.54467455 -1.69761404 1.41638428
C -3.27374719 -0.90147901 0.45197334
C -1.65071988 -3.04558469 -0.42405484
C -2.34777335 -2.28738245 -1.34501473
C -3.17726232 -1.19010567 -0.89591049
C 2.24001887 -2.07361514 1.58866994
C 1.76889861 -2.95809355 0.54304932
C 1.37788141 -1.66247117 2.58665135
C 0.45621017 -3.38878924 0.54010290
C -0.28653275 -3.44402005 -0.70057271
C 2.40138442 -2.56205665 -0.69704468
C 1.69342036 -2.61323562 -1.88217650
C 0.31908162 -3.06611381 -1.88353344
C -2.15392027 -0.54772539 -2.90298672
C -1.71375395 -1.88964915 -2.58440007
C -0.41229172 -2.27117991 -2.84661940
C -1.27203685 0.35151364 -3.47076961
C -2.11616726 2.14027626 -2.02439490
C -3.04011841 1.19771537 -1.43058549
C -3.05818426 -0.11551933 -1.85862571
C -1.25350684 1.72712644 -3.02123478
C 0.57184700 3.02351110 -2.02311326
C -0.33371467 3.45507603 -0.97930697
C -1.64581152 3.02348003 -0.97889497
C 0.12158059 2.17874109 -3.01921724
C 2.19627667 0.87923094 -2.89850821
C 2.66667271 1.76407432 -1.85366798
C 1.87399601 2.81180319 -1.42584687
C 0.95336494 1.08195923 -3.46647265
C 0.51090621 -1.32831353 -3.44188971
C 1.81287739 -1.53981348 -2.84602466
C 2.63608411 -0.46256814 -2.57983055
C 0.09202642 -0.04740670 -3.74520749
C -1.24278532 3.47837010 6.58972573
C -2.45556675 2.83445606 6.20417128
C -2.50683280 1.48638349 6.06454971
C -1.34988255 0.67836923 6.30311946
C -1.36609765 -0.70577242 6.16396614
C -0.21458262 -1.46710668 6.34323082
C -0.19778030 -2.88551592 6.15360606
C 0.93896634 -3.59990291 6.34390260
C 2.15028972 -2.94940477 6.72278292
C 2.17974521 -1.60552679 6.89061968
C 1.00179325 -0.81593514 6.70672243
C 1.01174199 0.56434473 6.87088449
C -0.13284294 1.32662327 6.67256830
C -0.12287625 2.74934944 6.81377118
H -1.22032792 4.55530047 6.70007336
H -3.33821678 3.43397073 6.02174079
H -3.42470974 1.00073035 5.75576219
H -2.29058836 -1.20102570 5.88663023
H -1.11202886 -3.37874375 5.84584411
H 0.93259952 -4.67358294 6.20929135
H 3.04966295 -3.53496500 6.86744555
H 3.09905040 -1.10552102 7.16961139
H 1.93275750 1.05769345 7.16082095
H 0.80207527 3.23277583 7.10438136
|
optimized_conformer_136.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.07119990 0.61713948 2.74140440
C 2.95072491 0.19339256 1.67254664
C 1.17915229 -0.28248006 3.29261818
C 2.95521847 -1.12190283 1.21129491
C 3.10134023 -1.44775905 -0.29400188
C 3.01693190 1.32321658 0.75562615
C 2.98597413 1.04664349 -0.63413949
C 2.74680022 -0.22698891 -0.99948023
C -0.59066119 1.41470452 3.33862089
C 0.33980773 2.35848818 2.74346575
C -0.17997736 0.12881272 3.61460044
C 1.62747322 1.97024925 2.46212210
C 2.24534922 2.39555799 1.21431774
C -0.40067301 3.17099251 1.80066013
C 0.17967038 3.58847720 0.60767368
C 1.50774388 3.16758935 0.28637850
C -2.31199927 -0.75410766 2.78883489
C -2.73845034 0.59843496 2.50263514
C -1.05662465 -0.98231285 3.32488844
C -1.89387452 1.65893911 2.77119218
C -1.77551670 2.75022122 1.82532717
C -3.50506946 0.57793923 1.27722947
C -3.39596477 1.62029238 0.37042722
C -2.51175228 2.72832517 0.65172563
C -0.73866938 -2.89238895 1.82879516
C -2.06050272 -2.66407807 1.27977963
C -0.24499353 -2.06733898 2.82279377
C -2.82277867 -1.61194300 1.74288386
C -3.56311385 -0.78775451 0.80761267
C -2.00637649 -2.94635362 -0.13805719
C -2.70761897 -2.16024400 -1.02551975
C -3.50379634 -1.05652566 -0.54508259
C 1.98646805 -2.01801350 1.76665248
C 1.45112614 -2.87574837 0.71732967
C 1.13651418 -1.62824598 2.80253739
C 0.12262399 -3.30742688 0.75278202
C -0.64846199 -3.35103522 -0.45561491
C 2.02221004 -2.48916687 -0.50736903
C 1.29579625 -2.51932314 -1.67926245
C -0.07736795 -2.96938376 -1.65513289
C -2.49843041 -0.39475838 -2.54995657
C -2.08883532 -1.74433740 -2.27787847
C -0.80514846 -2.14719011 -2.57825901
C -1.59937070 0.50857050 -3.13728106
C -2.40699370 2.28115858 -1.64562559
C -3.32454434 1.34034788 -1.04427571
C -3.37893504 0.03214210 -1.49911173
C -1.56554531 1.88027818 -2.65811301
C 0.26949813 3.16489659 -1.69703252
C -0.60201669 3.57881702 -0.61747890
C -1.90857072 3.14802830 -0.59049329
C -0.19295386 2.33063328 -2.69361235
C 1.90770037 1.03107355 -2.71065375
C 2.32576906 1.87979084 -1.62605374
C 1.58075933 2.93827466 -1.13972284
C 0.62473419 1.22954510 -3.18483851
C 0.13965060 -1.20279189 -3.16654305
C 1.39918283 -1.44730122 -2.62522417
C 2.43742409 -0.39112467 -2.43418503
C -0.27713961 0.11612083 -3.45445556
C 4.38910744 -8.15130634 -0.43859727
C 4.68566492 -7.51146362 0.78568931
C 4.84168970 -6.15616206 0.83461852
C 4.70570705 -5.37075496 -0.33705379
C 4.76162132 -3.95530676 -0.30717262
C 4.54454718 -3.20513825 -1.42806224
C 4.33892218 -1.71362281 -1.29654201
C 3.94216016 -0.94641564 -2.65738709
C 4.04169634 -1.75249718 -3.90347677
C 4.20914268 -3.06834505 -3.90493508
C 4.35991722 -3.85673909 -2.67893377
C 4.30936953 -5.22341784 -2.72887731
C 4.43351980 -6.01431425 -1.56434927
C 4.27530089 -7.42229621 -1.58587385
H 4.25071577 -9.22392245 -0.46181696
H 4.77824537 -8.10271994 1.68729273
H 5.06061878 -5.66192925 1.77330078
H 4.91134417 -3.46758427 0.65217169
H 5.22280152 -1.22536917 -0.88529450
H 4.56780494 -0.05679143 -2.74045633
H 3.91810730 -1.20937080 -4.83455607
H 4.23824919 -3.60631271 -4.84574233
H 4.14877119 -5.71448156 -3.68268279
H 4.04744809 -7.90626277 -2.52795478
|
optimized_conformer_137.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.20982216 0.90874349 2.26620115
C 2.94689063 0.71313009 1.00416232
C 1.54010894 -0.14204992 2.82628884
C 2.94664501 -0.51150848 0.40211603
C 2.79167182 -0.60232649 -1.01647320
C 2.79296694 1.90979350 0.21898238
C 2.68472141 1.83730770 -1.15815225
C 2.68657140 0.54974809 -1.79169799
C -0.36636868 1.32570406 3.31662925
C 0.34737783 2.42987669 2.74682707
C 0.21832078 0.06554959 3.32469384
C 1.60712026 2.21571494 2.21210561
C 1.97211930 2.83994269 0.96061967
C -0.60353310 3.27088849 2.04263518
C -0.24939289 3.86260557 0.84629679
C 1.07141466 3.65103794 0.29454353
C -1.91630830 -0.95936822 2.69969313
C -2.52637365 0.35632218 2.68568826
C -0.57182549 -1.09725879 2.98931157
C -1.76694117 1.47049627 2.97738735
C -1.91417964 2.67722680 2.19141498
C -3.47483768 0.38974768 1.59408259
C -3.61207092 1.53889783 0.83698309
C -2.81346211 2.70645174 1.14259368
C -0.27163243 -2.75475263 1.25396807
C -1.66003444 -2.58661645 0.92223893
C 0.25855986 -2.02342814 2.27068081
C -2.47754186 -1.72665209 1.63496639
C -3.45093941 -0.90269660 0.94429090
C -1.80731615 -2.70374995 -0.50794345
C -2.74513633 -1.91982920 -1.17026730
C -3.57404948 -0.99288876 -0.42573377
C 2.51783329 -1.79096700 1.08251941
C 1.90216917 -2.67616393 -0.13893206
C 1.71298101 -1.59377984 2.38833247
C 0.48684483 -3.29832264 0.04208645
C -0.51506896 -2.95870621 -1.06563847
C 2.03403134 -1.77083745 -1.33951802
C 1.15508351 -1.73726033 -2.38467172
C -0.17775029 -2.35181844 -2.24092617
C -2.98795601 0.02358729 -2.44749836
C -2.39015332 -1.29854528 -2.41123165
C -1.11938605 -1.49889737 -2.92331957
C -2.29401608 1.08025909 -3.00350280
C -3.01618049 2.55728747 -1.18534438
C -3.73864951 1.44726260 -0.60103055
C -3.72478910 0.21070002 -1.21844934
C -2.31077723 2.37772251 -2.35758858
C -0.45208384 3.71294107 -1.48299265
C -1.19150495 3.89849743 -0.25352730
C -2.44328473 3.33499740 -0.10717498
C -1.00007749 2.97112631 -2.51159927
C 1.16467270 1.90328335 -2.93375308
C 1.73821484 2.68294814 -1.85853337
C 0.94874574 3.56432066 -1.14516532
C -0.17266471 2.04101084 -3.25106399
C -0.39972456 -0.38773698 -3.50342061
C 0.99587169 -0.53605795 -3.16201897
C 1.76109553 0.58320915 -2.88775557
C -0.97170245 0.87154547 -3.55070777
C 6.31574702 -7.86348950 -3.55598153
C 5.01824565 -7.67977045 -4.11535611
C 4.12786988 -6.83850200 -3.53153985
C 4.46219861 -6.12034238 -2.34296456
C 3.57582130 -5.22498375 -1.74083919
C 3.93444705 -4.53399884 -0.59196944
C 3.15098778 -3.53780074 0.06168956
C 3.62781138 -2.81357797 1.09625064
C 4.89455591 -3.01663702 1.69545398
C 5.65684914 -3.99641161 1.14856637
C 5.22862648 -4.74734810 -0.00416402
C 6.09418187 -5.65177762 -0.60232950
C 5.74908737 -6.33015026 -1.76741221
C 6.66345143 -7.21486192 -2.41781572
H 7.02542531 -8.51991555 -4.04280168
H 4.74016210 -8.21937081 -5.01111842
H 3.14056731 -6.70496653 -3.95533349
H 2.60980001 -5.04306206 -2.20015841
H 0.59211124 -4.38477409 0.12461339
H 2.21007543 -2.16360719 3.18044827
H 5.24142778 -2.42004063 2.52878009
H 6.63911306 -4.21797640 1.54926786
H 7.07530466 -5.81047450 -0.16780833
H 7.64858413 -7.34530047 -1.98657990
|
optimized_conformer_138.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 1.39116180 1.01984194 3.29474144
C 2.54585139 0.68303337 2.48022432
C 0.48230670 0.04649070 3.64483475
C 2.73249031 -0.61970655 2.02718170
C 3.34217642 -0.88749060 0.76705871
C 2.79104301 1.76578183 1.58373939
C 3.25371772 1.49500065 0.29902945
C 3.63564458 0.18025371 -0.09286954
C -1.38309671 1.58432913 3.27424409
C -0.43080744 2.59695740 2.87158244
C -0.93489401 0.33359488 3.65447445
C 0.92525758 2.32768874 2.89625689
C 1.77543614 2.77796186 1.81604679
C -1.00416375 3.33160795 1.76348597
C -0.19499295 3.73791244 0.71782283
C 1.22273931 3.44963149 0.74881898
C -2.76506919 -0.73252343 2.42433463
C -3.23900180 0.57833297 2.02984473
C -1.63147156 -0.84915452 3.19809885
C -2.55588656 1.70756922 2.43383204
C -2.31818662 2.78510918 1.49470242
C -3.73972496 0.47621550 0.67558829
C -3.50410781 1.49857989 -0.22398339
C -2.76880586 2.67234598 0.19422434
C -0.80133690 -2.68985846 1.77905766
C -2.02431726 -2.59840605 1.02309209
C -0.63374943 -1.85020257 2.86929734
C -2.97478037 -1.63797832 1.31930573
C -3.60486979 -0.90094423 0.24687617
C -1.72431127 -2.93965168 -0.33710707
C -2.37743899 -2.28411972 -1.36725232
C -3.28875143 -1.20231915 -1.06345264
C 1.71238178 -1.62273985 2.32176805
C 1.54389605 -2.50720197 1.20435008
C 0.64977477 -1.30297503 3.14777802
C 0.29669676 -3.06435411 0.90261430
C -0.34407189 -3.36353662 -0.45689863
C 2.69325432 -2.22094544 0.24516151
C 1.68326879 -3.44670510 -1.87221329
C 0.22562626 -3.34927358 -1.72158027
C -1.92161818 -0.55362599 -2.84242182
C -1.60157516 -1.90150720 -2.51732460
C -0.31312609 -2.36712465 -2.64639213
C -0.88613310 0.32297103 -3.13441626
C -2.09321461 2.12809210 -1.97998602
C -3.11130066 1.18232392 -1.58274318
C -3.02163157 -0.12864449 -1.99777821
C -0.99923824 1.69011540 -2.70690427
C 0.48245395 3.14294211 -1.43969521
C -0.65100049 3.57760815 -0.64608501
C -1.90575176 3.06846968 -0.90031929
C 0.31954123 2.16830386 -2.40933902
C 2.47199486 1.18770847 -1.90888295
C 2.59630785 2.14520161 -0.83133094
C 1.63254553 3.10264098 -0.59803369
C 1.29621599 1.11253229 -2.63302356
C 0.75967142 -1.44167720 -2.95002499
C 1.97477788 -2.03858916 -2.35319750
C 3.54961293 0.14957223 -1.67288282
C 0.50351318 -0.09111555 -3.12410775
C 9.29479022 -3.67536657 -2.36961385
C 9.07119329 -2.78726723 -3.44562961
C 7.84752456 -2.20559950 -3.61286805
C 6.78258010 -2.48784987 -2.72024760
C 5.53316008 -1.82881805 -2.81099598
C 4.51888633 -2.11537012 -1.94085878
C 3.25508714 -1.30978220 -1.96461318
C 2.17492839 -1.53782932 -0.96073496
C 2.38551942 -4.17758113 -0.99153853
C 3.47586946 -3.49722325 -0.19132644
C 4.69039778 -3.14007818 -0.98456999
C 5.89697464 -3.76211919 -0.84364732
C 6.98692385 -3.42917429 -1.68490381
C 8.27538638 -3.99764521 -1.52022599
H 10.28085215 -4.09981806 -2.22580629
H 9.87960223 -2.56652582 -4.13199245
H 7.67328108 -1.51304266 -4.42790049
H 5.39919239 -1.06759677 -3.57236550
H 4.48446416 0.49153324 -2.12330972
H 1.56387667 -0.67239282 -0.73061108
H 1.89797778 -5.03727756 -0.55001624
H 3.74310404 -4.09795700 0.67776945
H 6.02825105 -4.52364522 -0.08300724
H 8.44100885 -4.68185688 -0.69660377
|
optimized_conformer_139.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 1.26990223 -0.17634965 3.23533903
C 2.15152809 -1.01522223 2.42936281
C 0.01499760 -0.58954986 3.63242124
C 1.70276501 -2.32527205 2.10305265
C 1.98366612 -3.12059600 0.81963392
C 2.97163539 0.00293876 1.64154634
C 3.43363755 -0.31686715 0.26811846
C 2.94385112 -2.29142142 0.07474177
C -0.91595124 1.64389987 3.23288050
C 0.40131115 2.07923124 2.84373019
C -1.10343339 0.33672572 3.62780278
C 1.45810086 1.21019750 2.87126484
C 2.49160896 1.26836297 1.84754031
C 0.25891742 3.03590330 1.74796856
C 1.19389969 3.09060536 0.73934514
C 2.36074054 2.21792805 0.75006631
C -3.18423468 0.23201511 2.34732818
C -2.98189321 1.60462227 1.93235752
C -2.27223118 -0.38557366 3.18248976
C -1.87260019 2.29888314 2.36978388
C -1.14487224 3.15630368 1.45504814
C -3.40534531 1.72650315 0.55410986
C -2.71031301 2.54200545 -0.31954205
C -1.55946248 3.28182976 0.14100501
C -2.40844962 -2.44899196 1.87178435
C -3.36398330 -1.80074363 0.99845777
C -1.87673635 -1.75891591 2.94129985
C -3.74293317 -0.49236708 1.22630630
C -3.87418305 0.43039955 0.11716472
C -3.10742974 -2.24718419 -0.35133870
C -3.23393452 -1.36695601 -1.40973320
C -3.62109332 0.00287113 -1.17254772
C 0.34755373 -2.69507850 2.45731811
C -0.22220934 -3.43683462 1.36135135
C -0.46854974 -1.87843220 3.22288250
C -1.55524357 -3.29100177 1.07185082
C -1.99968093 -3.16146510 -0.31443019
C 0.80936350 -3.61202266 0.30636501
C 0.34127538 -3.47945501 -1.10671520
C -1.07900702 -3.18281502 -1.32433034
C -1.98868680 -0.01594369 -2.85485067
C -2.24007224 -1.36788076 -2.45501640
C -1.20166775 -2.27186053 -2.43257462
C -0.68959246 0.37855330 -3.15610587
C -1.10724064 2.53498330 -2.02917640
C -2.42697670 2.08153712 -1.66466229
C -2.86185281 0.84201715 -2.07804186
C -0.26211799 1.71401182 -2.76978397
C 1.67309228 2.48214032 -1.45248030
C 0.76943958 3.25439929 -0.63162423
C -0.57898885 3.30385522 -0.92456277
C 1.13301258 1.69724494 -2.45172579
C 2.91997394 -0.10026621 -1.95059620
C 3.36521062 0.67374624 -0.90696168
C 2.68793903 1.90170624 -0.57041940
C 1.57929562 0.27492737 -2.54205725
C 0.13687329 -1.91774347 -2.84635646
C 1.01837069 -2.91973595 -2.17263664
C 2.44740457 -2.72144371 -2.19554140
C 0.41465198 -0.57379340 -3.11762061
C 9.57080827 -2.59685825 -3.47726811
C 9.85879594 -1.73637019 -2.39450736
C 8.87039040 -1.35867689 -1.53107043
C 7.54645932 -1.82964020 -1.70612127
C 6.50177360 -1.52091385 -0.80270309
C 5.22762642 -1.99693936 -0.93099267
C 4.28904579 -1.66392860 0.23104078
C 2.15912501 -1.11313265 -0.12021049
C 2.64170443 -1.50110509 -1.44536596
C 3.57178870 -3.36789638 -2.50104454
C 4.90393758 -2.82193103 -2.09405785
C 5.93199044 -3.14361762 -2.94663252
C 7.25737252 -2.68140601 -2.78933477
C 8.29898172 -3.05020256 -3.67660926
H 10.36393981 -2.89448766 -4.15136899
H 10.87201082 -1.38217714 -2.25236405
H 9.08731199 -0.69989428 -0.69897228
H 6.73677096 -0.89896258 0.05547435
H 4.80006222 -1.82016213 1.18375112
H 1.14087973 -0.90146740 0.19803297
H 1.12088845 0.11272964 -1.53794341
H 3.56406226 -4.28088313 -3.08523824
H 5.71450810 -3.77426087 -3.80172870
H 8.07247534 -3.70232947 -4.51143820
|
optimized_conformer_14.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.51089094 0.60421428 2.42823911
C 3.40371146 0.17474703 1.37237604
C 1.64106333 -0.29828338 3.00861660
C 3.38428132 -1.13738762 0.94131520
C 3.46714838 -1.43752040 -0.47278153
C 3.50742465 1.25111826 0.40953910
C 3.58622228 0.96574403 -0.93974571
C 3.56596217 -0.41048657 -1.39101387
C -0.14863989 1.37784049 3.00916787
C 0.76417616 2.32324197 2.40152166
C 0.27995118 0.09776126 3.30569195
C 2.06212379 1.94470527 2.11790588
C 2.67807860 2.34459759 0.87084220
C 0.01738701 3.12112028 1.45073190
C 0.60454168 3.50049487 0.25940644
C 1.96514324 3.10299679 -0.03639756
C -1.82998020 -0.83450859 2.47889214
C -2.27614618 0.50702678 2.16884316
C -0.58228784 -1.03450481 3.03525321
C -1.45784489 1.58779847 2.42716971
C -1.35885042 2.66853841 1.46770138
C -3.04199233 0.45321499 0.94124432
C -2.94684871 1.47982867 0.02305457
C -2.08374157 2.61330587 0.29237392
C -0.21541236 -2.97174689 1.58029769
C -1.52666066 -2.76439442 1.00272678
C 0.24469778 -2.12830648 2.57322253
C -2.31765631 -1.72082271 1.44297920
C -3.06403130 -0.92422361 0.49011389
C -1.44533399 -3.06348996 -0.41219016
C -2.15755827 -2.30565664 -1.32096374
C -2.98576667 -1.21044181 -0.85806871
C 2.46860830 -2.08125524 1.54588494
C 1.98598542 -2.96517995 0.50696725
C 1.61870352 -1.67301679 2.55528770
C 0.67530601 -3.40071622 0.52336686
C -0.08419021 -3.45783214 -0.70775279
C 2.60295654 -2.56844008 -0.74072220
C 1.87896406 -2.62248126 -1.91558863
C 0.50406878 -3.07554329 -1.89730559
C -1.99024558 -0.56224570 -2.87609514
C -1.54073332 -1.90277482 -2.56660759
C -0.24184493 -2.27928018 -2.84757942
C -1.11897442 0.33916350 -3.45543558
C -1.94833051 2.12542780 -1.99586154
C -2.86392781 1.17989541 -1.39234928
C -2.88407249 -0.13327661 -1.82148445
C -1.09818606 1.71381515 -3.00420662
C 0.73611368 3.01015655 -2.02669363
C -0.15467324 3.44333071 -0.97146591
C -1.46668314 3.01096160 -0.95564402
C 0.27569230 2.16720837 -3.01865192
C 2.35550416 0.87381744 -2.93012897
C 2.83799025 1.75892779 -1.89129613
C 2.04649778 2.80117557 -1.44936927
C 1.10448775 1.07455212 -3.48030003
C 0.67036875 -1.33512401 -3.45533212
C 1.98150817 -1.54635241 -2.87861971
C 2.80512760 -0.46733844 -2.62191677
C 0.24234717 -0.05575752 -3.75090166
C -5.33093636 -0.82659587 3.60204468
C -4.39826262 -0.97034446 4.67186304
C -3.78762157 0.11571256 5.20559134
C -4.08838915 1.43136545 4.73235888
C -3.47956100 2.56486627 5.26166838
C -3.79814244 3.83981180 4.80480490
C -3.19867726 5.01850901 5.35189423
C -3.53920820 6.24887652 4.89545312
C -4.50852334 6.39280418 3.86042113
C -5.10364469 5.30144437 3.32109761
C -4.76626120 3.98510011 3.76619862
C -5.35594305 2.85004567 3.21968971
C -5.03783390 1.57640918 3.67610313
C -5.63545624 0.40212269 3.11817866
H -5.79154305 -1.71008695 3.17730996
H -4.17374903 -1.96073365 5.04602062
H -3.05262157 0.00582577 5.99413724
H -2.74062861 2.45424132 6.04851189
H -2.47458054 4.90850095 6.15023501
H -3.08239836 7.13324544 5.31996106
H -4.76936054 7.38395052 3.51275317
H -5.84941244 5.40712193 2.54292121
H -6.09015545 2.96169965 2.42899505
H -6.33572176 0.51665779 2.29923660
|
optimized_conformer_140.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.25401807 0.73552785 2.58411183
C 3.40776442 0.54923974 1.67958283
C 1.37081496 -0.22296324 3.08040775
C 3.18140184 -1.75275276 1.09898773
C 2.64215926 -1.18472853 -0.18520629
C 3.24562036 1.45380554 0.63460396
C 3.24708442 1.12188403 -0.80048357
C 3.09471999 -0.18764260 -1.13984358
C -0.44877730 1.48612106 3.19843011
C 0.42621815 2.43318045 2.57197333
C 0.01535778 0.20264059 3.42235701
C 1.71070102 2.05882909 2.27217929
C 2.27998310 2.46896461 1.02471193
C -0.34545730 3.23129726 1.64811498
C 0.20303984 3.58594029 0.43036002
C 1.54690845 3.18285137 0.11152042
C -2.18035010 -0.68675876 2.79939530
C -2.63065896 0.64874435 2.49221668
C -0.89357161 -0.89791558 3.25857330
C -1.78489341 1.71632811 2.69768600
C -1.71836466 2.78653430 1.72130186
C -3.44981678 0.58750694 1.29984605
C -3.37042375 1.59426316 0.35731968
C -2.48428101 2.71946353 0.57314625
C -0.71544906 -2.94544921 1.93948098
C -2.03996724 -2.68275712 1.39916255
C -0.13166563 -2.04462698 2.83077870
C -2.75727519 -1.58758996 1.82378374
C -3.52018455 -0.79511461 0.88147917
C -2.02863485 -3.04144767 -0.00584497
C -2.70927444 -2.24356519 -0.92028264
C -3.49261576 -1.11419117 -0.46230368
C 2.03573956 -2.38193425 1.81854460
C 1.45224058 -3.35717662 0.93474158
C 1.25887375 -1.68849559 2.73571052
C 0.08438767 -3.55799717 0.93749728
C -0.71783190 -3.54183622 -0.32078658
C 2.18656194 -3.41456432 -0.42681888
C 1.24729855 -2.53228191 -1.32984625
C -0.12729396 -3.05762845 -1.46847715
C -2.51723701 -0.52690272 -2.50491690
C -2.09611427 -1.86794002 -2.16890199
C -0.79125188 -2.25960887 -2.43733107
C -1.62814024 0.33577220 -3.11366171
C -2.42077241 2.17508275 -1.70384959
C -3.33188751 1.26046301 -1.05090651
C -3.38924706 -0.06006783 -1.44973623
C -1.59480957 1.72558305 -2.71822195
C 0.26715748 3.04891516 -1.84679492
C -0.59074544 3.50428849 -0.77441812
C -1.90518901 3.08407051 -0.70412794
C -0.22537982 2.17945159 -2.79660464
C 1.87979185 0.90162188 -2.75728686
C 2.41140417 1.85559867 -1.77196739
C 1.60500779 2.86928044 -1.32049352
C 0.59381667 1.06588486 -3.24052021
C 0.16817463 -1.35578722 -3.07198700
C 1.50075783 -1.53913890 -2.53326360
C 2.34082915 -0.42003593 -2.40654392
C -0.26650759 -0.07701628 -3.41455666
C 8.94729683 -3.18051102 -3.45010405
C 7.96742172 -4.00851885 -4.04071171
C 6.72409307 -4.11133090 -3.48305134
C 6.38760166 -3.37336301 -2.32263177
C 5.08025490 -3.38549528 -1.76928738
C 4.75187644 -2.59279399 -0.70890055
C 3.36832057 -2.50752520 -0.18604274
C 1.14142980 -1.27972850 -0.37148637
C 4.15945707 -0.70276957 1.46042329
C 5.36730418 -0.73294652 0.88956364
C 5.75282703 -1.75689042 -0.09930330
C 7.01990465 -1.75632335 -0.61446266
C 7.36956054 -2.54537963 -1.73399935
C 8.65779261 -2.47594752 -2.31770161
H 9.92495773 -3.09704481 -3.90687048
H 8.20668857 -4.55528665 -4.94419837
H 5.97251173 -4.74737680 -3.93493731
H 4.32098147 -4.00317346 -2.23802940
H 2.37861201 -4.42134498 -0.79357318
H 0.56270252 -1.41166759 0.52833593
H 0.72571966 -0.39418158 -0.84484963
H 6.01040500 0.13826166 0.95681753
H 7.76743118 -1.09114921 -0.19490710
H 9.40284866 -1.83667587 -1.85851033
|
optimized_conformer_141.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 1.52406617 0.56527349 3.40008074
C 2.59007573 0.34780695 2.45240518
C 0.67509824 -0.46948483 3.72633768
C 2.76620007 -0.86909039 1.83636449
C 3.10582476 -1.00066546 0.39775973
C 2.76324654 1.57579704 1.69833272
C 3.13705234 1.52292328 0.38771824
C 3.31931140 0.24163726 -0.36185746
C -1.25852557 1.03124839 3.59535943
C -0.36582596 2.12041769 3.26766736
C -0.75041746 -0.23156205 3.83543338
C 0.99649691 1.89810871 3.18580009
C 1.76930968 2.53008871 2.14249536
C -1.02316557 2.94879052 2.27737088
C -0.28736375 3.53117919 1.26918700
C 1.13983890 3.35475369 1.22493185
C -2.59549806 -1.24462849 2.57802429
C -3.11922605 0.07906184 2.31478855
C -1.43460405 -1.39389077 3.31571418
C -2.46688979 1.18944078 2.81091246
C -2.31130196 2.36288399 1.98161872
C -3.64441954 0.09273128 0.96618896
C -3.46524409 1.20334850 0.16298602
C -2.78773929 2.36146945 0.68265584
C -0.63569924 -3.11014914 1.76295317
C -1.87135470 -2.98479034 1.01508054
C -0.42900615 -2.34529270 2.88991317
C -2.81657162 -2.05373345 1.40137223
C -3.47285909 -1.22870258 0.40654864
C -1.57407435 -3.17115724 -0.38599577
C -2.21311522 -2.37933043 -1.34168617
C -3.16603392 -1.37701461 -0.92930935
C 1.89406677 -1.95338964 2.19808957
C 1.67512006 -2.74042956 1.00959636
C 0.87378354 -1.76228804 3.11657554
C 0.43916967 -3.32387209 0.82159784
C -0.16720074 -3.42427925 -0.50176515
C 2.47089998 -2.13349205 -0.08379037
C 1.79168142 -2.15282027 -1.42698265
C 0.50953697 -2.93878274 -1.58215054
C -1.93302708 -0.48558569 -2.72798750
C -1.49128232 -1.89457699 -2.47076805
C -0.18322189 -2.31471261 -2.65632631
C -1.00957855 0.49935413 -3.04424326
C -2.11810840 2.07072402 -1.55858820
C -3.07897654 1.04576060 -1.22723720
C -2.97432111 -0.21481159 -1.77436719
C -1.04513713 1.82150124 -2.42557752
C 0.34680634 3.29908468 -0.99102323
C -0.76993894 3.48976169 -0.10003573
C -1.97865726 2.91042971 -0.38573094
C 0.24738700 2.51895333 -2.16284049
C 2.56878249 1.90030064 -1.78632692
C 2.59725537 2.49756667 -0.51825175
C 1.53537981 3.29200567 -0.15755503
C 1.49558313 1.95724073 -2.63479395
C 0.75440599 -1.45575891 -3.31273357
C 2.01856622 -1.50956897 -2.77906988
C 3.06809639 0.52877199 -1.68746668
C 0.37782028 -0.03089562 -3.17349429
C 8.76775848 -0.86158878 -4.29706120
C 8.68276139 -0.57011624 -5.67574724
C 7.47451452 -0.29727776 -6.24840821
C 6.28963148 -0.30063811 -5.47177796
C 5.03417053 0.06257609 -6.01165614
C 3.90735664 0.12801530 -5.23639326
C 2.66457602 0.67207430 -5.79369433
C 1.63117319 1.02851455 -5.04118315
C 1.57958285 0.77634609 -3.57119837
C 2.74213408 -0.17500700 -2.98576555
C 3.98307030 -0.24114370 -3.86362323
C 5.18252703 -0.61191046 -3.32641008
C 6.37038014 -0.62232116 -4.09924649
C 7.63865535 -0.89717725 -3.53027249
H 9.73710076 -1.04548868 -3.85231940
H 9.58280220 -0.55679734 -6.27656648
H 7.40764713 -0.06062969 -7.30294417
H 4.97817404 0.34497441 -7.05699425
H 2.63623933 0.83636650 -6.86458585
H 0.75455439 1.48785827 -5.48498343
H 0.51718882 -0.01405500 -2.04312314
H 1.22356959 -1.20064611 -1.13620356
H 5.24553048 -0.87584436 -2.27557528
H 7.70011964 -1.11382074 -2.47066992
|
optimized_conformer_142.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.18275098 0.19405034 2.58667726
C 2.98354324 -0.36403871 1.52891579
C 1.27931634 -0.60235278 3.26581957
C 2.79275214 -1.69139503 1.12773354
C 2.75950313 -2.06989431 -0.27041065
C 3.19257541 0.65984191 0.54515042
C 3.15884456 0.21445359 -0.74772583
C 2.94702472 -1.09695629 -1.24470697
C -0.30808244 1.24745073 3.39144561
C 0.64213683 2.08184190 2.68166742
C 0.00066642 -0.06663401 3.66849116
C 1.84643116 1.56222843 2.23931907
C 2.41886408 1.91737639 0.94487209
C -0.09235003 2.95997834 1.82109413
C 0.44247763 3.32377273 0.60154837
C 1.75662043 2.89997265 0.16132694
C -2.25629633 -0.77051080 3.03971559
C -2.58225803 0.60974397 2.75012462
C -0.99555972 -1.10120042 3.49785736
C -1.63420770 1.59830851 2.93253265
C -1.49873925 2.65933316 1.96065469
C -3.43355772 0.63141442 1.57946987
C -3.29472249 1.63860576 0.64266726
C -2.30836176 2.67406088 0.84280733
C -0.95236342 -3.07929460 2.05758063
C -2.26818940 -2.72783889 1.57027101
C -0.32742967 -2.28194469 2.99695783
C -2.90643146 -1.60076546 2.05007393
C -3.63246739 -0.73345873 1.14553295
C -2.31663082 -3.03464241 0.15500745
C -3.00706390 -2.20572830 -0.71003147
C -3.68760608 -1.03016862 -0.20259123
C 1.81241562 -2.50606534 1.81654941
C 1.15733653 -3.35247128 0.83932015
C 1.08413761 -1.97953242 2.86553139
C -0.19203565 -3.61438975 0.94715044
C -1.03399424 -3.57721085 -0.22986953
C 1.73299311 -3.05618761 -0.45600316
C 0.92576104 -2.97438994 -1.57745733
C -0.48628146 -3.24984710 -1.45770630
C -2.76521653 -0.49226470 -2.28284796
C -2.43583260 -1.86849603 -1.99159323
C -1.19991842 -2.37536076 -2.35804733
C -1.84080471 0.31149973 -2.91625570
C -2.37333192 2.16229656 -1.44675617
C -3.34374878 1.32962802 -0.77012853
C -3.54365996 0.02629348 -1.18046551
C -1.63350214 1.67393797 -2.49531816
C 0.37432698 3.00722843 -1.74095138
C -0.42105174 3.33922348 -0.55433537
C -1.74135400 3.00810992 -0.43762577
C -0.19843241 1.99524378 -2.64601475
C 1.88013414 0.47237260 -2.86378499
C 2.81557577 2.36827432 -2.09167420
C 1.69378581 3.04085271 -1.37795415
C 0.43289899 0.83245778 -3.08335285
C -0.23871420 -1.53442516 -3.02503230
C 1.11030580 -1.92832262 -2.56866437
C 2.12199985 -1.01297460 -2.46601380
C -0.54986304 -0.21727845 -3.27452208
C 6.63510245 -1.94194229 -6.75274069
C 7.79191527 -1.73226836 -5.96707314
C 7.75973833 -0.87272847 -4.90825188
C 6.56595032 -0.18448143 -4.57353351
C 6.49769463 0.74083923 -3.50919186
C 5.32620342 1.36820122 -3.17515447
C 5.28784591 2.36665615 -2.10700137
C 4.14801829 2.84813885 -1.62687942
C 2.28694664 1.04000930 -1.53950497
C 2.79472989 1.62319715 -3.49118677
C 4.13860467 1.07342761 -3.89841941
C 4.19740099 0.21894031 -4.96290184
C 5.40144281 -0.42188118 -5.33766234
C 5.46894792 -1.30482049 -6.44393773
H 6.67853681 -2.61404234 -7.59996960
H 8.70483728 -2.25907770 -6.21330978
H 8.64597272 -0.70920045 -4.30667907
H 7.39972461 0.96092575 -2.94886504
H 6.23515526 2.72636251 -1.72337798
H 4.15881716 3.60292095 -0.85031517
H 1.38737685 1.04671569 -0.92791026
H 2.31230657 2.13116383 -4.32518796
H 3.29819066 -0.00135415 -5.53026002
H 4.57709782 -1.46356798 -7.03922409
|
optimized_conformer_143.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 1.91905953 0.60568520 2.89742099
C 2.87384890 0.46290012 1.81283264
C 1.10988444 -0.44796743 3.24597341
C 2.85562583 -0.80541915 1.02625069
C 4.06236248 -1.39300160 0.38273363
C 3.01457532 1.65677462 1.13666212
C 3.24476372 1.57121585 -0.31558073
C 3.63618281 -0.38801880 -1.85487816
C -0.78009603 1.07531390 3.54896264
C 0.06249382 2.16797063 3.11792846
C -0.26127413 -0.20685736 3.61796046
C 1.39592210 1.95144802 2.83637565
C 2.01900072 2.57590040 1.68755133
C -0.72916792 3.02781502 2.26688033
C -0.14911942 3.56746901 1.13269365
C 1.23816160 3.29978999 0.82565797
C -2.33387136 -1.13994333 2.70416066
C -2.86033652 0.20060664 2.59398411
C -1.05557984 -1.33526842 3.19500662
C -2.10439809 1.28212022 3.00375826
C -2.06971344 2.48655773 2.20175386
C -3.63704048 0.27327455 1.37363433
C -3.59795241 1.41858703 0.60360703
C -2.78962831 2.54448453 1.02426847
C -0.62031685 -3.02205265 1.47840294
C -1.96553918 -2.83490613 0.97428820
C -0.17860994 -2.29374763 2.56267251
C -2.79419367 -1.90083710 1.56289338
C -3.60152656 -1.02622449 0.73841871
C -1.91325732 -2.95354873 -0.46335037
C -2.67482164 -2.11313079 -1.25399022
C -3.53833838 -1.12486360 -0.63827942
C 1.98553099 -1.96209174 1.48716472
C 1.56946139 -2.75996773 0.34937201
C 1.16321692 -1.75907999 2.56237309
C 0.25790695 -3.25608224 0.36238758
C -0.54138612 -3.24220224 -0.83024487
C 2.16878416 -2.39257774 -0.91878375
C 1.36236617 -2.28378381 -2.01817998
C -0.00622655 -2.69826250 -1.98050809
C -2.59415455 -0.16832554 -2.55693289
C -2.10149451 -1.52454682 -2.44492386
C -0.79680403 -1.81094305 -2.79243251
C -1.75152194 0.83413086 -2.99671360
C -2.63609647 2.36827308 -1.30520487
C -3.51494381 1.31711617 -0.83796826
C -3.49102989 0.07599710 -1.44523483
C -1.76984225 2.12371760 -2.35268699
C 0.02356172 3.30294133 -1.17644458
C -0.89378575 3.60212265 -0.10158551
C -2.18979256 3.12569799 -0.15528398
C -0.39894621 2.58474355 -2.26960247
C 1.73579894 1.31199784 -2.30067821
C 2.16495860 2.10857290 -1.16329861
C 1.32643970 3.06419304 -0.62738329
C 0.46224875 1.58142062 -2.83305189
C 0.08726117 -0.76855672 -3.25500736
C 1.42437113 -1.03602600 -2.82296652
C 2.26906041 -0.02284532 -2.42415495
C -0.37229734 0.52810866 -3.32596745
C 6.51932807 1.95837028 -6.79411096
C 6.89410108 0.73235075 -7.38800804
C 6.63796427 -0.44660067 -6.74990236
C 5.98079992 -0.45836257 -5.49554729
C 5.74352397 -1.65254600 -4.78024553
C 5.08591933 -1.65260457 -3.58001606
C 4.99306373 -2.87302641 -2.78456862
C 4.39921063 -2.90955230 -1.60137647
C 3.57999062 -1.79250110 -1.01316082
C 4.06069676 0.61545313 -0.79691307
C 4.58157999 -0.43256797 -3.05563641
C 4.85737603 0.73892113 -3.69817241
C 5.57222192 0.76448908 -4.92012944
C 5.87136212 1.97335432 -5.59227847
H 6.74633606 2.88737170 -7.30028044
H 7.38881993 0.73258494 -8.35096234
H 6.92858066 -1.39154463 -7.19384169
H 6.11608460 -2.58699614 -5.18580603
H 5.49793115 -3.75279745 -3.16481646
H 4.42186452 -3.81589130 -1.00607452
H 2.16481936 -0.45808650 0.22966991
H 4.90784122 0.29392922 -0.18279474
H 4.49710988 1.67589135 -3.28524120
H 5.57740131 2.91043283 -5.13500898
|
optimized_conformer_144.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 1.31449113 0.69718920 3.37728701
C 2.41430358 0.55124186 2.45266318
C 0.54314389 -0.39417313 3.71440717
C 2.70981512 -0.68425773 1.92079654
C 3.08303071 -0.79437702 0.53954956
C 2.46461210 1.72304767 1.61216899
C 2.83513359 1.64053250 0.26981568
C 3.16403344 0.33110540 -0.26449056
C -1.49848871 0.95397288 3.53141239
C -0.68972689 2.09879252 3.20437565
C -0.89480606 -0.26874585 3.78328387
C 0.69513290 1.98035981 3.12240580
C 1.41210420 2.61412837 2.05935097
C -1.39908014 2.89244794 2.22736083
C -0.71147347 3.54202577 1.23725478
C 0.73443631 3.42636830 1.14561681
C -2.62355904 -1.43590338 2.50305173
C -3.24301452 -0.15837112 2.21365019
C -1.47583494 -1.48723104 3.27279032
C -2.70038944 1.00860262 2.72383607
C -2.64063524 2.19747367 1.90882064
C -3.70955943 -0.19271574 0.85226404
C -3.62030994 0.94128730 0.06057769
C -3.09864858 2.16980117 0.61083349
C -0.52021948 -3.18767615 1.78484549
C -1.72981777 -3.13829644 0.98546855
C -0.39528703 -2.37792846 2.89639805
C -2.74539221 -2.27265780 1.33197470
C -3.41875613 -1.50270827 0.30283805
C -1.35273750 -3.28617951 -0.40569820
C -1.99017513 -2.54789285 -1.38222822
C -3.03820060 -1.62929632 -1.01206121
C 1.91530301 -1.84195874 2.29396522
C 1.78971203 -2.68585064 1.13361116
C 0.85127684 -1.69838734 3.16068126
C 0.60048007 -3.36013027 0.88968555
C 0.08607237 -3.44059214 -0.45640536
C 2.51783815 -2.07703939 0.04564055
C 2.06998080 -2.24862448 -1.24214990
C 0.81104470 -2.91757572 -1.50564321
C -1.76064944 -0.60841988 -2.64916133
C -1.21812884 -1.93865602 -2.45320061
C 0.14709700 -2.14930120 -2.53821987
C -0.80533879 0.51665071 -2.79746299
C -2.35767599 1.99472206 -1.60682216
C -3.14614128 0.83400297 -1.29294111
C -2.89145777 -0.43407652 -1.83964996
C -1.22607351 1.94130541 -2.44236212
C -0.08777355 3.52106650 -1.01981949
C -1.20710603 3.53860672 -0.11851611
C -2.34608492 2.83623925 -0.43422242
C -0.16370451 2.86583437 -2.25811610
C 2.80140618 1.24593901 -2.72872890
C 2.23059570 2.63163617 -0.66921417
C 1.11092233 3.42951764 -0.20669328
C 1.41297491 1.26311619 -3.37355099
C 1.05889154 -1.10355685 -2.98775208
C 2.17518741 -1.15889548 -2.18041160
C 2.67004637 0.15427141 -1.68534153
C 0.56227739 0.23043904 -3.36130050
C 8.34650893 0.33118580 -5.32259287
C 8.27169682 1.39421210 -6.24787427
C 7.17012988 2.20027222 -6.27815438
C 6.09071450 1.97636735 -5.39055747
C 4.93574844 2.79549623 -5.40149919
C 3.86924525 2.58690771 -4.56809610
C 2.72240251 3.52317520 -4.73597256
C 1.55008642 3.62126881 -4.10609517
C 1.13669520 2.69490025 -2.99152856
C 2.27554170 2.45480346 -2.01049872
C 3.95628873 1.48773667 -3.64099345
C 5.06099504 0.69342406 -3.60487170
C 6.16051209 0.90608697 -4.47626779
C 7.31541404 0.09009136 -4.45964167
H 9.22842366 -0.29487146 -5.29969467
H 9.09306735 1.56526504 -6.93194239
H 7.10283654 3.01936830 -6.98450257
H 4.90392304 3.61982219 -6.10624451
H 2.89302589 4.24468392 -5.52809071
H 0.84999324 4.39167242 -4.40571003
H -0.46472400 0.35794478 -1.72502492
H 1.64675980 0.46042037 -1.36232087
H 5.10400694 -0.13032939 -2.90053083
H 7.37211229 -0.72670629 -3.75032340
|
optimized_conformer_145.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 1.47473453 -0.26304030 3.64468590
C 2.40864764 -0.98227542 2.79826727
C 0.23606141 -0.79931118 3.88857597
C 2.03367312 -2.16125395 2.18069457
C 2.29131239 -2.35731036 0.76458299
C 3.10310097 -0.02638427 2.02413149
C 3.25573979 -0.14876797 0.63259763
C 2.84511216 -1.34922031 -0.04604409
C -0.82794792 1.37396973 3.46992303
C 0.46286452 1.91345301 3.13469394
C -0.94787242 0.04449944 3.83568346
C 1.59756661 1.14519513 3.27085984
C 2.61151062 1.27165179 2.29099789
C 0.33638223 2.78569752 1.99582342
C 1.29891326 2.88094568 0.97418608
C 2.47876605 2.01170288 1.06543327
C -2.98755155 -0.16370216 2.49406291
C -2.86464462 1.22876313 2.12493133
C -2.03582340 -0.74272801 3.31354058
C -1.79561518 1.97273729 2.58400150
C -1.08413643 2.85336395 1.68794789
C -3.30896647 1.36737191 0.75543918
C -2.64931346 2.23404153 -0.08904646
C -1.52044321 2.98432405 0.38990438
C -1.99862404 -2.74285362 1.89649360
C -3.01286869 -2.14484252 1.05449140
C -1.52726479 -2.06722056 3.00672264
C -3.49706536 -0.88409463 1.34620075
C -3.71195707 0.06769642 0.27775014
C -2.73620235 -2.51156987 -0.31895468
C -2.96520216 -1.60933030 -1.34004779
C -3.45703468 -0.28192953 -1.03258958
C 0.76318325 -2.76076325 2.50422745
C 0.27520212 -3.43501878 1.32586741
C -0.12261396 -2.09591064 3.33758456
C -1.07551537 -3.45371555 1.03982716
C -1.53116068 -3.31623992 -0.32630013
C 1.23144316 -3.20641896 0.26497556
C 0.80061404 -3.08030676 -1.03141778
C -0.61069470 -3.16787144 -1.34380043
C -1.94423036 -0.09780819 -2.80481780
C -2.02034321 -1.49228189 -2.42916742
C -0.87061764 -2.25403836 -2.42951562
C -0.76941935 0.45457671 -3.23924603
C -1.09650011 2.48243311 -1.86405766
C -2.37697920 1.88831121 -1.45561447
C -2.79386817 0.65455495 -1.91614928
C -0.36829055 1.80169899 -2.86320292
C 1.65588872 3.00379216 -2.56049587
C 0.79185653 3.34739932 -0.31945142
C -0.57411841 3.16478808 -0.66525197
C 1.06285847 1.86219383 -3.00419652
C 2.52025711 0.07931643 -2.07285254
C 3.32990157 1.12919457 -1.39338934
C 1.56638109 3.50239798 -1.44419409
C 1.56115317 0.48156061 -2.99662938
C 0.38548933 -1.64197053 -2.80744865
C 1.39886252 -2.08790566 -1.89292306
C 2.38577226 -1.21248120 -1.43093482
C 0.42898394 -0.35108177 -3.27440553
C 5.25898530 1.10556476 -8.10763515
C 6.03644755 2.27266720 -8.23661762
C 6.26413498 3.07256388 -7.15006498
C 5.72646448 2.74823097 -5.88377490
C 5.96884143 3.55532388 -4.74004210
C 5.43289317 3.19756836 -3.54129471
C 5.56493077 3.79984939 -2.21435399
C 4.88627260 3.06088169 -1.32319076
C 3.06087619 1.13898047 0.04815939
C 4.21016500 1.94691592 -1.99595726
C 4.61420893 2.02726550 -3.41234518
C 4.39129227 1.22495891 -4.49047186
C 4.94218526 1.57466171 -5.75509179
C 4.72598271 0.76668753 -6.89383710
H 5.08623579 0.47815126 -8.97224878
H 6.45565363 2.53353319 -9.19983840
H 6.86616409 3.96846933 -7.24529802
H 6.59076822 4.43795863 -4.83717027
H 6.13815068 4.69013789 -2.00013041
H 4.80801170 3.24610173 -0.26180021
H -0.13139085 0.29200450 0.33045249
H -0.28044054 -0.40576348 0.13239601
H 3.81296037 0.31301657 -4.41790529
H 4.12725487 -0.13034536 -6.78726046
|
optimized_conformer_146.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.17285682 0.61985549 2.46201924
C 3.07272383 0.18737099 1.41287074
C 1.29178782 -0.27932110 3.02769174
C 3.05203605 -1.12440919 0.98066893
C 3.14770254 -1.42508944 -0.43254222
C 3.18958667 1.26357582 0.45091083
C 3.27918294 0.97757043 -0.89780146
C 3.25740019 -0.39767259 -1.34932089
C -0.48923861 1.40204330 3.01646294
C 0.43479361 2.34635846 2.41844903
C -0.07186584 0.12083954 3.31277970
C 1.73451660 1.96571615 2.14824707
C 2.36218497 2.36179574 0.90511760
C -0.29942363 3.14371944 1.45805412
C 0.29905535 3.52270926 0.27161288
C 1.66099818 3.12301823 -0.01064050
C -2.17958715 -0.80362561 2.47327731
C -2.61796658 0.54078306 2.15884744
C -0.93647361 -1.00870914 3.03936317
C -1.79328143 1.61750324 2.42322308
C -1.67593677 2.69312186 1.46085244
C -3.36562463 0.48923049 0.91950890
C -3.25354705 1.51451782 0.00047277
C -2.38959025 2.64188160 0.27867406
C -0.55973954 -2.94688655 1.58563552
C -1.86409416 -2.73169523 0.99399113
C -0.10685606 -2.10703526 2.58436664
C -2.65485733 -1.68492062 1.42634925
C -3.38821549 -0.88615679 0.46717191
C -1.76977017 -3.03151673 -0.41946104
C -2.46875506 -2.26956347 -1.33557563
C -3.29713861 -1.17288370 -0.88129832
C 2.12957314 -2.06768571 1.57791847
C 1.65306698 -2.94973316 0.53303127
C 1.27089192 -1.65648459 2.57972814
C 0.34022273 -3.37912582 0.53627741
C -0.40767042 -3.43207488 -0.70247166
C 2.28272020 -2.55314259 -0.70908499
C 1.56870318 -2.60133538 -1.89064356
C 0.19283245 -3.05098284 -1.88674138
C -2.28245443 -0.52950133 -2.89218125
C -1.84129894 -1.87241083 -2.57852608
C -0.54150898 -2.25507159 -2.84778562
C -1.40034580 0.36959454 -3.45943507
C -2.23766637 2.15927628 -2.00961061
C -3.16012018 1.21550817 -1.41350993
C -3.18230164 -0.09714162 -1.84332863
C -1.37877137 1.74550230 -3.00939384
C 0.45151644 3.03697769 -2.01593098
C -0.44872369 3.46868709 -0.96719729
C -1.76199659 3.04063877 -0.96346664
C -0.00283892 2.19623990 -3.01338607
C 2.06990254 0.89282504 -2.90256348
C 2.54527738 1.77491315 -1.85748532
C 1.75518776 2.82153821 -1.42364825
C 0.82593695 1.09887994 -3.46670493
C 0.38120377 -1.31229818 -3.44477247
C 1.68534027 -1.52662206 -2.85337530
C 2.50946614 -0.45033928 -2.58794629
C -0.03781879 -0.03016520 -3.74210738
C -2.38954513 -2.80784087 6.59485715
C -1.22842621 -3.53040406 6.19058087
C -0.03986820 -2.89553896 6.03837150
C 0.07971808 -1.49140893 6.28669251
C 1.28417302 -0.81062810 6.14099006
C 1.36726114 0.56563372 6.33244629
C 2.58174822 1.29351775 6.12893850
C 2.62976338 2.63576420 6.31822343
C 1.46342917 3.35457672 6.71297219
C 0.29047428 2.70302034 6.89852456
C 0.19820467 1.28792375 6.71556824
C -0.99909249 0.60329864 6.88677053
C -1.08728482 -0.76672986 6.67462860
C -2.32066280 -1.47486517 6.82287993
H -3.33064086 -3.33070601 6.71217136
H -1.30690041 -4.59308496 6.00206056
H 0.84005453 -3.43955378 5.71584354
H 2.17267306 -1.36090727 5.84916706
H 3.46353894 0.75199334 5.80793416
H 3.55773197 3.17224633 6.16976231
H 1.51751692 4.42684994 6.85685379
H -0.59868933 3.24853007 7.18919353
H -1.88319656 1.15022983 7.19447898
H -3.20314847 -0.92456714 7.12458016
|
optimized_conformer_147.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.25604424 0.56950698 2.43216621
C 3.09797040 -0.00387776 1.41648749
C 1.42427823 -0.22432114 3.19741345
C 3.00893923 -1.37007064 1.14663388
C 3.08999543 -1.81428626 -0.21162447
C 3.28238300 0.95045403 0.35199445
C 3.75402238 0.43285345 -0.83309093
C 3.61782011 -0.95535013 -1.11941125
C -0.29955627 1.50272642 3.17575236
C 0.55737102 2.31278143 2.34127450
C 0.11653147 0.24880403 3.58025168
C 1.80637661 1.85424409 1.94774461
C 2.32731568 2.07137253 0.61096171
C -0.26529341 3.02810968 1.41154515
C 0.19009499 3.23328230 0.12637075
C 1.49069465 2.72985683 -0.31300909
C -2.09746803 -0.67519625 3.10198445
C -2.54433849 0.64295163 2.70807997
C -0.80189948 -0.86697467 3.53681719
C -1.66588264 1.70874096 2.74516214
C -1.65030551 2.66752260 1.66223874
C -3.45176779 0.49170370 1.58850932
C -3.44507231 1.41939610 0.56488997
C -2.52091606 2.52806882 0.60570417
C -0.64658281 -2.94601606 2.24242642
C -1.99591378 -2.73965938 1.78560406
C -0.05985382 -2.03097531 3.09957993
C -2.71671943 -1.63961782 2.21503976
C -3.55180360 -0.91725266 1.28415404
C -2.07124228 -3.15957303 0.39860005
C -2.89406383 -2.47821575 -0.48309144
C -3.65525503 -1.33923515 -0.03254267
C 2.05606108 -2.18298275 1.87292204
C 1.40690994 -3.05954123 0.93825996
C 1.31405217 -1.64070624 2.90854954
C 0.11149263 -3.47296871 1.12596839
C -0.76004762 -3.57330552 -0.01831298
C 1.84962451 -2.64215224 -0.42828732
C 1.02893945 -2.94057158 -1.63874597
C -0.31043253 -3.34318241 -1.33523105
C -2.95617203 -0.92820800 -2.22638105
C -2.45457866 -2.23593927 -1.83486291
C -1.20982205 -2.65820117 -2.24918676
C -2.18433165 -0.12644236 -3.03053353
C -2.70986784 1.81710030 -1.61577554
C -3.55976731 0.98304226 -0.81223006
C -3.66745278 -0.36909592 -1.10108924
C -2.03893337 1.28755397 -2.71182721
C -0.01704606 2.57280942 -2.10257744
C -0.74013385 3.12052065 -0.96615577
C -2.05266885 2.76795932 -0.74546262
C -0.68634509 1.65990489 -2.96294119
C 1.30800143 0.29908724 -3.26776538
C 1.97499451 1.16752800 -2.24580501
C 1.31934898 2.37393379 -1.71612708
C -0.01575973 0.51534045 -3.52621377
C -0.40974481 -1.83382722 -3.11316616
C 1.00379191 -2.02971315 -2.78963914
C 1.89554132 -0.98010010 -3.04653263
C -0.90945892 -0.60693244 -3.51209634
C 5.74587071 6.03076013 -4.65433104
C 6.69057245 5.42406489 -5.51163928
C 6.79784108 4.06436603 -5.56963562
C 5.96890388 3.23840971 -4.76815497
C 6.03811237 1.82392742 -4.80930909
C 5.23267925 1.04038686 -4.02556754
C 5.27153147 -0.42652912 -4.12934041
C 4.41434878 -1.24303126 -3.52180475
C 3.35133660 -0.73817002 -2.59841246
C 3.44265689 0.81108216 -2.27280420
C 4.31297684 1.66533771 -3.13663425
C 4.21232116 3.02490404 -3.09646039
C 5.03239002 3.84867723 -3.90427472
C 4.93802545 5.26116042 -3.86791089
H 5.66595011 7.10952936 -4.62200820
H 7.32843607 6.04568187 -6.12733092
H 7.52148467 3.60124885 -6.23021352
H 6.73557601 1.35800336 -5.49744579
H 6.04300101 -0.84591377 -4.76479225
H 4.48536367 -2.31706078 -3.65097998
H 1.21101117 -1.71308000 -0.33625242
H 1.64714574 0.55886743 -1.36949677
H 3.49457747 3.49807734 -2.43418158
H 4.21229354 5.72008878 -3.20690090
|
optimized_conformer_148.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 1.91182788 0.28607620 3.11846889
C 2.86614937 -0.26284308 2.18228190
C 0.91332059 -0.51827848 3.63640476
C 2.78730900 -1.59075385 1.81398161
C 2.98580355 -1.97454575 0.43319742
C 3.13294385 0.74797803 1.17889566
C 3.29734215 0.38392320 -0.14744931
C 3.23057490 -1.00657677 -0.52161673
C -0.73125333 1.27767423 3.35026709
C 0.31364853 2.11789887 2.81411966
C -0.43700056 -0.01145222 3.75513875
C 1.60215219 1.63441159 2.69879759
C 2.37249660 1.91695602 1.50733870
C -0.25703293 2.90362832 1.74253250
C 0.48992898 3.20528426 0.61861340
C 1.84467115 2.69814359 0.49314551
C -2.50979354 -0.83727280 2.74514208
C -2.80760871 0.50849614 2.30784235
C -1.34753168 -1.09149428 3.44857215
C -1.94125015 1.54080163 2.60398181
C -1.63651681 2.53935582 1.59925386
C -3.41594823 0.42891582 0.99746629
C -3.11227228 1.37595751 0.03703016
C -2.20488327 2.45587891 0.33678546
C -0.97644145 -3.14005023 2.15608608
C -2.19816164 -2.87888355 1.42559401
C -0.56221716 -2.26820144 3.14433899
C -2.94454501 -1.75094663 1.71128519
C -3.50905980 -0.96808139 0.63352603
C -1.99173401 -3.27900426 0.05111759
C -2.54501864 -2.53775963 -0.97643966
C -3.31646472 -1.35339259 -0.67746277
C 1.75473349 -2.43765216 2.36805018
C 1.32114969 -3.35088648 1.33264113
C 0.83559847 -1.91112212 3.25623771
C -0.01357819 -3.69679413 1.23007894
C -0.64105250 -3.78635352 -0.06892637
C 2.08556020 -3.06878237 0.13883755
C 1.48977288 -3.15944254 -1.10315227
C 0.09674666 -3.53198434 -1.21126147
C -2.07206900 -0.93027172 -2.60662794
C -1.77273475 -2.27541247 -2.17030029
C -0.48538767 -2.75935358 -2.28439920
C -1.08872983 -0.13429808 -3.17179931
C -1.86146595 1.81305072 -1.90420921
C -2.89095700 0.97743314 -1.33017860
C -3.00497226 -0.35729480 -1.68298573
C -1.02948606 1.26856294 -2.87485620
C 0.94124909 2.91870960 -1.64924405
C -0.12950661 3.21118703 -0.67714314
C -1.43126904 2.76248076 -0.84338343
C 0.39223326 1.68258218 -3.07841304
C 2.30115326 0.24628165 -2.27618039
C 2.74028552 1.18494876 -1.21034387
C 2.09497754 2.37006457 -0.88511365
C 1.19374478 0.44059006 -3.09341856
C 0.55119292 -1.91593918 -2.84127432
C 1.75782433 -2.14764265 -2.10453912
C 2.60378856 -1.08705213 -1.81822109
C 0.26211285 -0.64142572 -3.29604893
C 6.92485488 3.38683974 -4.47431493
C 6.93364460 4.63791741 -5.14397407
C 5.76867928 5.30165234 -5.37164906
C 4.53017179 4.75319240 -4.92672288
C 3.31761427 5.40273516 -5.09956901
C 2.11374626 4.89284719 -4.59460695
C 0.93651665 5.62703127 -4.78750082
C -0.26736370 5.16696303 -4.28041649
C -0.33271039 4.01371630 -3.54967032
C 0.83722951 3.18974250 -3.21535251
C 2.11206058 3.63536726 -3.88962563
C 3.30745257 2.96540357 -3.78482537
C 4.52274096 3.49561557 -4.26130321
C 5.75304610 2.82609875 -4.05481077
H 7.86409570 2.88064023 -4.29266917
H 7.87609880 5.06287262 -5.46631058
H 5.76209074 6.25563049 -5.88492640
H 3.29033090 6.34976220 -5.62556207
H 0.98431338 6.55652635 -5.34083017
H -1.17962956 5.72060317 -4.46199624
H -1.29762002 3.69421681 -3.19325084
H 0.52700617 1.73877152 -1.79284132
H 3.36456301 2.00558137 -3.30257765
H 5.75497377 1.87310394 -3.53925891
|
optimized_conformer_149.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.45785175 0.27697405 2.40669842
C 3.13956029 -0.18091823 1.20949486
C 1.68560718 -0.60039639 3.15333172
C 2.98734719 -1.50182494 0.80474023
C 2.79028157 -1.79440274 -0.57787884
C 3.17848981 0.88485392 0.25876539
C 2.98783043 0.58889896 -1.07210122
C 2.75589679 -0.75216481 -1.49622554
C 0.01287431 1.14032856 3.44010189
C 0.83949926 2.05056752 2.69327448
C 0.43401403 -0.15610999 3.68700194
C 2.04356185 1.62638443 2.19702674
C 2.68392178 2.18600868 0.93946371
C -0.05997665 2.90975310 1.88611220
C 0.29894268 3.30640898 0.63008624
C 1.66590911 2.91359550 0.01456292
C -1.83077581 -1.00230114 3.28720914
C -2.27622495 0.35436611 3.05168473
C -0.51046590 -1.25380636 3.60089966
C -1.37220022 1.40007563 3.12028841
C -1.42164830 2.47450835 2.15788789
C -3.26418070 0.32550207 1.99725267
C -3.32250756 1.34953618 1.07469356
C -2.39650732 2.45970252 1.17148264
C -0.49684826 -3.20534199 2.12097030
C -1.88245411 -2.94321905 1.79559722
C 0.17249413 -2.38090524 3.00520555
C -2.53521527 -1.86901850 2.36526581
C -3.41827861 -1.04994945 1.56624869
C -2.07836093 -3.24660738 0.39398187
C -2.91650771 -2.46062033 -0.37041686
C -3.60663313 -1.33831728 0.22976851
C 2.16576777 -2.41470854 1.58112166
C 1.46582157 -3.28015057 0.65691924
C 1.53414088 -1.97761441 2.72579351
C 0.16470285 -3.66660136 0.92021952
C -0.81142560 -3.69184789 -0.14729492
C 1.84730959 -2.89362640 -0.68211662
C 0.91719790 -2.90903426 -1.69883598
C -0.44320936 -3.32692113 -1.42768844
C -2.98802117 -0.72460169 -1.94096273
C -2.53098926 -2.08138953 -1.71243895
C -1.32392720 -2.50688349 -2.22809198
C -2.21494863 0.14883883 -2.68407532
C -2.72197770 1.97020448 -1.10552490
C -3.52163008 1.04934973 -0.33166452
C -3.65596837 -0.26601881 -0.74364358
C -2.09971199 1.53121572 -2.27379992
C -0.11032534 2.58327382 -1.53044160
C -0.71799099 3.20995456 -0.40802478
C -2.03554039 2.84522676 -0.16711433
C -0.73611568 1.92491721 -2.53822823
C 1.35071171 0.57429659 -2.85203138
C 2.14616140 1.52549126 -1.93170248
C 1.08007106 1.90808115 -0.94625308
C 0.00570422 0.79151428 -3.12581530
C -0.49938543 -1.58976016 -2.99474626
C 0.87265357 -1.82878480 -2.66543699
C 1.77030771 -0.76228511 -2.57038702
C -0.93057193 -0.29102750 -3.21236478
C 4.72311185 3.14629915 -7.93769994
C 4.96382849 4.55199283 -7.96146063
C 4.78315395 5.29612899 -6.84414996
C 4.31275654 4.69913220 -5.63139700
C 4.09484081 5.44904918 -4.48149875
C 3.58777480 4.87174020 -3.32173681
C 3.31719083 5.65036321 -2.15187100
C 2.75892068 5.09695282 -1.04391595
C 2.40091928 3.72493883 -1.06139277
C 2.67636412 2.93633802 -2.15565382
C 3.29180510 3.47292643 -3.32006646
C 3.54144214 2.71131105 -4.45867332
C 4.04542401 3.29683266 -5.61517505
C 4.28800702 2.54096443 -6.80630712
H 4.89529798 2.56395097 -8.83342347
H 5.29484480 5.01552635 -8.88150148
H 4.98229468 6.36078817 -6.84815097
H 4.30942187 6.51181405 -4.49236786
H 3.54900241 6.70803032 -2.18254990
H 2.54060611 5.69992442 -0.17076481
H 3.51371142 2.85619956 1.18071085
H 0.67794197 1.02448459 -0.41918478
H 3.32175214 1.64859512 -4.45544503
H 4.11373267 1.47189574 -6.78667847
|
optimized_conformer_15.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.31453184 0.52530181 2.52165860
C 3.29633501 0.26981736 1.46174784
C 1.55562316 -0.58210704 3.04863924
C 3.44763250 -0.99999416 0.95064702
C 3.62591187 -1.20072862 -0.47109053
C 3.27079598 1.39645550 0.55519678
C 3.44994778 1.21500117 -0.79865077
C 3.64292932 -0.11683316 -1.32924328
C -0.29972493 0.94398682 3.58520431
C 0.12976523 1.70942645 2.32763194
C 0.26605125 -0.39266785 3.46696474
C 1.62604691 1.67916753 2.18670230
C 2.22148734 2.28088558 1.01402819
C -0.67832470 2.70412796 1.45164214
C -0.00237003 3.20111210 0.34675207
C 1.43765899 2.97574997 0.12871245
C -1.82457778 -1.24493292 2.21456594
C -2.58507945 0.04585100 1.89969046
C -0.59188087 -1.43760586 2.86622009
C -2.47783001 1.36818162 2.31802423
C -2.06280669 2.30460173 1.28481435
C -3.09636124 -0.10915843 0.55012023
C -3.20971497 0.93718690 -0.34807873
C -2.56350406 2.17684085 0.00530898
C 0.05519692 -3.24405447 1.26591440
C -1.22276468 -3.10291085 0.62808589
C 0.35085345 -2.43315742 2.33241573
C -2.10163604 -2.13062774 1.07317417
C -2.88760002 -1.44116357 0.08571749
C -1.04768063 -3.35590704 -0.78615965
C -1.79057521 -2.66287989 -1.71933193
C -2.75636542 -1.69375945 -1.26837813
C 2.61513106 -2.10433589 1.44329391
C 2.29960452 -2.96007711 0.33079925
C 1.68207990 -1.88589027 2.42562370
C 1.04479046 -3.53361711 0.24776301
C 0.36148609 -3.59949271 -1.02364851
C 2.92403674 -2.40919449 -0.85279870
C 2.27375569 -2.47718619 -2.06925997
C 0.96587852 -3.09123211 -2.15926325
C -1.76349621 -0.86042850 -3.21100526
C -1.16424384 -2.14489399 -2.91735307
C 0.18680312 -2.34376279 -3.12387244
C -0.97724323 0.17232974 -3.68839397
C -2.15032472 1.77555494 -2.25439935
C -2.97650686 0.69571777 -1.75243076
C -2.76938346 -0.59279849 -2.20465040
C -1.16821620 1.51532463 -3.18472783
C 0.40857607 2.94442654 -1.96107023
C -0.61230862 3.20371615 -0.96737410
C -1.86820663 2.65963358 -1.14010858
C 0.13728014 2.13107988 -3.04657245
C 2.35863324 1.10236976 -2.86761608
C 2.64493794 1.96101833 -1.74197914
C 1.67639341 2.83854527 -1.28610312
C 1.12952935 1.18090739 -3.49589946
C 1.00798975 -1.26183312 -3.62360322
C 2.29656659 -1.34263139 -2.96913761
C 2.96202839 -0.18890978 -2.60442876
C 0.44073702 -0.03048621 -3.89204483
C -1.70452859 0.24298870 5.48330623
C -1.38767126 1.10004263 4.35196650
C -2.46302173 1.91736767 3.72378669
C -3.85819612 1.73641383 4.28152496
C -4.90763958 2.31437916 3.63326389
C -6.24183185 2.05195696 4.01594074
C -7.33485974 2.52664543 3.25213729
C -8.61466818 2.22470471 3.61151305
C -8.86016137 1.45688577 4.77226667
C -7.82345845 0.98168536 5.52303176
C -6.47800961 1.24282831 5.15050174
C -5.37074386 0.67648895 5.82716167
C -4.08439594 0.87557763 5.38898852
C -2.94699854 0.16817262 5.97937497
H -0.89867243 -0.33280165 5.92018932
H -0.03176273 0.87168533 1.60186299
H -2.21624808 2.97962320 3.68569891
H -4.73290756 2.94158525 2.76499464
H -7.13051042 3.10992661 2.36238121
H -9.44273708 2.56640447 3.00487388
H -9.88077861 1.23349208 5.05399046
H -8.02048639 0.38051164 6.40287940
H -5.55249521 0.03248266 6.68162000
H -3.15310026 -0.47984783 6.82408558
|
optimized_conformer_150.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.02548737 0.42232093 2.76991215
C 2.86134485 0.21470859 1.60718113
C 1.34477614 -0.64630365 3.32354981
C 2.98877752 -1.05604638 1.06085357
C 3.00333242 -1.22870737 -0.35645139
C 2.74234984 1.35671329 0.74931952
C 2.77189625 1.15980659 -0.61486861
C 2.87510048 -0.13584892 -1.15978830
C -0.64965982 0.74605439 3.61577661
C 0.06473858 1.86758190 3.03751214
C -0.02553036 -0.47719681 3.76063663
C 1.38445570 1.71624829 2.63426357
C 1.83884791 2.32628197 1.41182478
C -0.85689255 2.61238160 2.22120419
C -0.42893999 3.18566415 1.02560721
C 0.94742117 3.02746027 0.63282796
C -2.05277630 -1.64134740 3.02201808
C -2.70473197 -0.35725678 2.87233343
C -0.74357421 -1.69794715 3.45518061
C -2.02141774 0.80772244 3.16059133
C -2.15157259 1.96193002 2.29551445
C -3.55680183 -0.42396661 1.70549281
C -3.68779841 0.67668272 0.88239548
C -2.96457928 1.89566868 1.18222067
C -0.24477025 -3.44295906 1.80666727
C -1.61474559 -3.37823872 1.35087056
C 0.18100385 -2.62063963 2.83190862
C -2.50021239 -2.49944878 1.94536699
C -3.43012072 -1.74626477 1.13253036
C -1.61256174 -3.53650794 -0.08867093
C -2.49889648 -2.82247850 -0.86463367
C -3.43542690 -1.90906785 -0.23929189
C 2.27191954 -2.16877888 1.64143945
C 1.82687688 -3.02408136 0.56148318
C 1.47129807 -1.96947459 2.74961996
C 0.59714986 -3.64878590 0.64261597
C -0.23850216 -3.69884223 -0.52019387
C 2.27180680 -2.45934215 -0.68763206
C 1.48820665 -2.50963120 -1.80949942
C 0.19659744 -3.12365334 -1.70833871
C -2.72982024 -0.97839977 -2.26033545
C -2.06104762 -2.23480131 -2.11551914
C -0.73486819 -2.37741432 -2.52925586
C -2.03756099 0.08584318 -2.80868356
C -2.98502238 1.62906071 -1.13628350
C -3.69439389 0.50477593 -0.55326526
C -3.57623706 -0.75931067 -1.09964524
C -2.18148003 1.42330228 -2.25162133
C -0.48922550 2.91688048 -1.32064873
C -1.29087905 3.11755862 -0.15053964
C -2.53276263 2.48285433 -0.07153962
C -0.92102006 2.09546293 -2.33609328
C 1.24927740 0.98481609 -2.38394788
C 2.04525847 2.02481573 -1.65068560
C 0.91321641 2.69385507 -0.83576717
C 0.03036877 1.13136147 -2.90082117
C -0.02906733 -1.30387527 -3.14992477
C 1.50554259 -1.46419374 -2.94852195
C 2.22882829 -0.12587591 -2.54313134
C -0.68141052 -0.10180092 -3.23457018
C 3.98390708 7.98463174 -4.43396224
C 4.87211784 7.71077205 -5.51747947
C 5.21413454 6.43462314 -5.81794541
C 4.68892041 5.33514833 -5.06444599
C 4.97018703 4.01378187 -5.39246365
C 4.41606768 2.95033412 -4.68423490
C 4.61584951 1.59524149 -5.09533641
C 3.98139893 0.56463421 -4.47511318
C 3.14522779 0.83668357 -3.37045211
C 2.99650541 2.13015127 -2.87906547
C 3.58287691 3.23356140 -3.55264548
C 3.30981774 4.55686702 -3.21438345
C 3.82450883 5.61103767 -3.96188396
C 3.48986511 6.97387534 -3.67865900
H 3.71001655 9.00992417 -4.21813463
H 5.26292572 8.53247507 -6.10488734
H 5.88193188 6.22213961 -6.64512591
H 5.61657564 3.80358144 -6.23705522
H 5.25422270 1.40527327 -5.94923861
H 4.09831104 -0.45270330 -4.82620274
H 1.96586762 -1.89605206 -3.84158998
H 0.59681653 1.65819518 -0.53543914
H 2.64879984 4.77240423 -2.38169483
H 2.81984890 7.18294951 -2.85361663
|
optimized_conformer_151.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.37391228 0.39156571 2.66178402
C 3.21702918 -0.20087568 1.64662328
C 1.46614763 -0.39254966 3.34728129
C 3.11279143 -1.54649261 1.35753530
C 3.14498639 -2.00070341 -0.01943122
C 3.34608821 0.75581871 0.56554389
C 3.36386305 0.31998337 -0.74675906
C 3.26868417 -1.08478778 -1.04596427
C -0.23011684 1.37271217 3.18893552
C 0.71804571 2.18936236 2.46208063
C 0.13537041 0.10924130 3.61651310
C 1.98590236 1.70974023 2.20786173
C 2.58727823 1.92479307 0.90810114
C -0.00615961 2.91735419 1.43610298
C 0.56228356 3.12618165 0.18464275
C 1.88686531 2.60111387 -0.08140218
C -2.04111645 -0.78321066 2.92939872
C -2.41939501 0.53825531 2.48247194
C -0.79278787 -0.99238910 3.48357646
C -1.53760267 1.59184913 2.61294626
C -1.38811763 2.54617999 1.53008004
C -3.20125704 0.39012542 1.26987338
C -3.05313873 1.29816374 0.24286994
C -2.12637195 2.39413569 0.37408439
C -0.56255428 -3.09532901 2.24499603
C -1.87041048 -2.87879875 1.66662426
C -0.03641707 -2.17453435 3.13199137
C -2.59137654 -1.74652580 1.99824686
C -3.31006667 -1.02317716 0.97705132
C -1.83811679 -3.34279643 0.29622770
C -2.52807702 -2.65566519 -0.68089511
C -3.27900150 -1.46259409 -0.33548888
C 2.16436701 -2.36945357 2.07461525
C 1.61494523 -3.33388598 1.14494037
C 1.35923418 -1.80450127 3.04580844
C 0.28176982 -3.69029729 1.23164074
C -0.50468108 -3.84458695 0.02650089
C 2.22168518 -3.10729828 -0.14671203
C 1.47066487 -3.24959265 -1.30055223
C 0.07432133 -3.63400954 -1.20830506
C -2.29165030 -1.10513305 -2.41488464
C -1.91740634 -2.43563658 -1.97241942
C -0.64982442 -2.91187341 -2.23074109
C -1.38104973 -0.32907518 -3.10462022
C -2.10077184 1.66699063 -1.85539063
C -3.01456244 0.84688458 -1.13573567
C -3.13722319 -0.51551351 -1.41175218
C -1.24976692 1.09198335 -2.80839605
C 0.70910769 2.67142727 -2.21852815
C -0.20792412 3.04690942 -1.01947689
C -1.51530199 2.62379867 -0.91381049
C 0.09712102 1.48346850 -2.96928215
C 2.12381846 0.07585346 -2.72848248
C 2.64449427 1.04350798 -1.76875002
C 1.93447869 2.16708739 -1.43975334
C 0.84875199 0.30752685 -3.25200214
C 0.30177619 -2.08184123 -2.94580368
C 1.60558285 -2.30046381 -2.37680448
C 2.48463624 -1.22568805 -2.26050557
C -0.06710468 -0.82094504 -3.37382596
C 4.78788170 4.81909393 -2.81895759
C 5.00745536 5.62150703 -3.93973120
C 3.92266119 5.95678256 -4.69838592
C 2.63880269 5.45227698 -4.37792626
C 1.54601680 6.03669338 -5.00772643
C 0.23135953 5.76789747 -4.64703636
C -0.78971158 6.61769901 -5.13542055
C -2.08386137 6.42701455 -4.74366894
C -2.36625626 5.31683089 -3.94353584
C -1.38376980 4.44686219 -3.49905799
C -0.04449321 4.68407325 -3.76795595
C 1.08846796 3.80437401 -3.28473530
C 2.43244792 4.52435528 -3.30881751
C 3.54378636 4.28440025 -2.50812734
H 5.61812915 4.58659492 -2.16362528
H 5.99528211 5.99404005 -4.17381291
H 4.00754528 6.63705864 -5.53633730
H 1.72650860 6.79722665 -5.76162399
H -0.50873024 7.42984615 -5.79508896
H -2.87024675 7.10126283 -5.05323110
H -3.38839257 5.12380900 -3.64340268
H -1.69447608 3.59971153 -2.92108244
H 1.24944785 3.18318071 -4.19139319
H 3.47690748 3.66679237 -1.63229951
|
optimized_conformer_152.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.12696255 0.48082404 2.89582726
C 2.99476875 0.08076077 1.81801612
C 1.31618940 -0.45115736 3.51161931
C 3.02208212 -1.22924026 1.41563500
C 3.07714112 -1.56198716 -0.00977697
C 2.99896298 1.16874908 0.83223897
C 3.05061603 0.84774498 -0.57571512
C 3.10343631 -0.57199684 -0.95844838
C -0.55004359 1.13609208 3.50022506
C 0.30354344 2.09936239 2.84833040
C -0.05673029 -0.11553689 3.82532780
C 1.60571553 1.78572623 2.55093936
C 2.18205636 2.17281880 1.26980658
C -0.51069643 2.82941570 1.86954421
C 0.02536557 3.19804148 0.66617115
C 1.51038155 3.16871580 0.36768599
C -2.13956572 -1.16428580 3.07997674
C -2.66081116 0.14089147 2.74739610
C -0.86770405 -1.28968162 3.60899849
C -1.87795529 1.26322047 2.94547268
C -1.84884836 2.30640330 1.94404686
C -3.45306342 0.01432104 1.53992066
C -3.44053282 1.01660542 0.59051954
C -2.61369875 2.19136572 0.79882597
C -0.43681948 -3.24068496 2.19128549
C -1.76990880 -3.11170473 1.64228856
C 0.00287754 -2.35633825 3.15661397
C -2.60347197 -2.09971874 2.07675115
C -3.41380661 -1.37203355 1.12493030
C -1.70974815 -3.44613282 0.23640403
C -2.48284426 -2.75220850 -0.67405627
C -3.35496477 -1.69163261 -0.21862045
C 2.19329963 -2.21416054 2.06673831
C 1.73264509 -3.14819738 1.06076507
C 1.35222314 -1.83502363 3.09658295
C 0.44775190 -3.65131337 1.12271453
C -0.33876846 -3.78174266 -0.08530878
C 2.29113088 -2.75426680 -0.21563959
C 1.54573961 -2.88981075 -1.37149865
C 0.19763493 -3.41377997 -1.30323653
C -2.44067495 -1.04966640 -2.27781174
C -1.91995732 -2.35652475 -1.94833429
C -0.61224971 -2.68475803 -2.25806338
C -1.62103581 -0.12140725 -2.89059216
C -2.51565352 1.65578265 -1.45895106
C -3.38024333 0.68311460 -0.81517093
C -3.33270320 -0.63802604 -1.21061740
C -1.65097921 1.25901515 -2.46058466
C 0.13656177 2.69513922 -1.59495463
C -0.73717489 3.05625528 -0.52645430
C -2.04739158 2.57044522 -0.46357039
C -0.31564620 1.78403900 -2.51317858
C 1.82722099 0.59845560 -2.49232187
C 2.31850308 1.55022436 -1.49559181
C 1.62155754 2.87663974 -1.21242117
C 0.56058078 0.70985097 -3.00574574
C 0.23659370 -1.71694870 -2.91424383
C 1.56941388 -1.84126475 -2.36698518
C 2.34553857 -0.71518413 -2.16881512
C -0.25508291 -0.45975011 -3.21868210
C 0.20524083 4.03630867 -7.72404509
C 0.50086639 5.40017780 -8.01620627
C 1.05273252 6.20009013 -7.07148818
C 1.36677698 5.68675874 -5.77425470
C 2.04459345 6.43484353 -4.82028281
C 2.40428925 5.89833191 -3.58948706
C 3.28576519 6.62229112 -2.72882698
C 3.76000988 6.04158363 -1.60714516
C 3.25187887 4.77713449 -1.19245866
C 2.31047622 4.09107276 -1.89789291
C 1.97712087 4.57782531 -3.22730458
C 1.34179983 3.82307757 -4.20984490
C 1.04988603 4.33435896 -5.47309259
C 0.45795404 3.52601878 -6.49328010
H -0.21994356 3.40831419 -8.49521824
H 0.28881959 5.79012618 -9.00355619
H 1.28672335 7.23506696 -7.29205888
H 2.35394853 7.44560687 -5.06210936
H 3.60231311 7.61372665 -3.02738930
H 4.47968947 6.55015082 -0.97979213
H 3.60755904 4.39156225 -0.24529513
H 1.91029913 4.16374736 0.56198233
H 1.11202922 2.78721577 -4.03511475
H 0.23087023 2.49192872 -6.26455355
|
optimized_conformer_153.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.06355972 -0.16295080 3.22267201
C 3.01012975 -0.31253928 2.13682767
C 1.22581760 -1.21177451 3.55124866
C 3.08234644 -1.50008259 1.43672102
C 3.22232191 -1.48890789 -0.00547153
C 3.07616315 0.94960348 1.43053576
C 3.19638345 0.96191454 0.04912299
C 3.27242604 -0.28124996 -0.68523801
C -0.65629274 0.33415325 3.82128905
C 0.22092505 1.43137997 3.47027001
C -0.16412515 -0.95547800 3.85906754
C 1.54950312 1.18921924 3.18072378
C 2.18363315 1.87150283 2.06917309
C -0.53722980 2.36680193 2.66598540
C 0.06682720 3.00688372 1.59933531
C 1.45615580 2.75922649 1.29385048
C -2.19110682 -1.79330937 2.76606001
C -2.70728777 -0.44071944 2.72755526
C -0.95094961 -2.04392063 3.31808272
C -1.95654354 0.59761664 3.24152284
C -1.88419060 1.85668073 2.52894718
C -3.42382919 -0.26869648 1.48138023
C -3.35986416 0.93499294 0.80405642
C -2.57271161 2.02166463 1.34207645
C -0.42314104 -3.60406852 1.50435867
C -1.72211463 -3.33903762 0.92574371
C -0.04675277 -2.97245500 2.67317991
C -2.58655956 -2.45566140 1.54148225
C -3.34844776 -1.51455436 0.74890068
C -1.57652355 -3.32069380 -0.51421366
C -2.30692006 -2.42663442 -1.27236363
C -3.21252006 -1.50261497 -0.62652256
C 2.20786450 -2.60035352 1.78765950
C 1.81220194 -3.26112116 0.56350116
C 1.29819600 -2.45761106 2.81741625
C 0.52800880 -3.74873726 0.42174905
C -0.18525128 -3.56967702 -0.82496986
C 2.44664071 -2.56837274 -0.54124412
C 1.75995464 -2.38115093 -1.72915104
C 0.41692312 -2.89475007 -1.87095889
C -2.18355769 -0.39088883 -2.41416076
C -1.67712790 -1.73075280 -2.37795595
C -0.34159483 -1.95363194 -2.66273702
C -1.33349378 0.65528399 -2.74374970
C -2.32745858 2.04501569 -0.98508545
C -3.20897589 0.94764066 -0.63795121
C -3.13806631 -0.24103612 -1.33390429
C -1.40422858 1.90203316 -2.01307683
C 0.29341423 3.02963559 -0.73495320
C -0.64319104 3.16818939 0.34997121
C -1.93966072 2.70198520 0.22772114
C -0.07699143 2.43038299 -1.90825898
C 2.27964683 1.36758581 -2.14922204
C 2.46818620 1.90316754 -0.74287710
C 1.61756627 2.77851790 -0.13727751
C 0.88050378 1.67598095 -2.84977072
C 0.52093488 -0.85969230 -3.02673056
C 1.84820406 -1.13058111 -2.43841144
C 2.59172067 -0.10576326 -1.93220509
C 0.03612816 0.41563257 -3.07719141
C 0.18657509 8.35169652 -3.44718854
C 1.14106518 8.80516933 -4.40409784
C 1.88544509 7.92040838 -5.11140086
C 1.71913453 6.51414172 -4.91857520
C 2.40500624 5.56888441 -5.67013915
C 2.21289385 4.20495637 -5.48187558
C 2.83253277 3.26218201 -6.35897354
C 2.57445418 1.94241316 -6.22573207
C 1.80514584 1.47303638 -5.12407700
C 1.26570368 2.31659037 -4.20221917
C 1.35500997 3.74260544 -4.42942335
C 0.63547904 4.69785511 -3.71622161
C 0.78243419 6.06121736 -3.94888245
C 0.01384268 7.02610768 -3.22699792
H -0.39430558 9.07709494 -2.89294703
H 1.26230104 9.86832870 -4.56235764
H 2.61562025 8.26311049 -5.83513827
H 3.08714719 5.89741762 -6.44641109
H 3.48344722 3.63338786 -7.14183630
H 2.99968487 1.22132737 -6.91127088
H 1.72720524 0.40207685 -4.97649257
H 3.05031094 1.80244131 -2.79148954
H -0.08856937 4.39942467 -2.97659305
H -0.70371824 6.67607132 -2.49470889
|
optimized_conformer_154.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.38431591 -0.08287340 2.93297511
C 3.18638258 -0.33256442 1.75054046
C 1.51476212 -1.04922635 3.39401126
C 3.08714712 -1.54735673 1.09548247
C 3.06799226 -1.58607861 -0.35130625
C 3.26989761 0.89292133 0.99675030
C 3.23565303 0.86435692 -0.39709223
C 3.13671587 -0.41413026 -1.07680401
C -0.20159252 0.65061684 3.81296633
C 0.71163869 1.66200716 3.32908907
C 0.18900829 -0.67219300 3.84321832
C 1.97150293 1.30292715 2.90078427
C 2.51552826 1.89817575 1.69407797
C -0.06127245 2.63180472 2.57504657
C 0.47101593 3.20364621 1.43455719
C 1.77570595 2.82949518 0.98992075
C -2.00399788 -1.37663069 3.00801688
C -2.41387547 0.00759510 2.97053416
C -0.73106563 -1.71006232 3.43160924
C -1.53443473 1.00284235 3.36072323
C -1.44256455 2.22837016 2.60748403
C -3.24504631 0.19693624 1.80166652
C -3.15101181 1.36678382 1.07320066
C -2.22976731 2.41784131 1.47381885
C -0.53049896 -3.36818195 1.63899968
C -1.86415544 -3.02293247 1.19730394
C 0.02258438 -2.72750145 2.73169271
C -2.58348629 -2.04914402 1.86491138
C -3.35267379 -1.07811085 1.11775304
C -1.87980817 -3.07173442 -0.25000601
C -2.61620436 -2.14590230 -0.96343484
C -3.37032332 -1.12835578 -0.26149032
C 2.18067580 -2.55988239 1.58405667
C 1.60125864 -3.23124018 0.43975193
C 1.40981665 -2.31815120 2.70637540
C 0.27782020 -3.62737258 0.46656448
C -0.55537839 -3.44284741 -0.70184694
C 2.15147902 -2.63347086 -0.75694408
C 1.36085092 -2.46304755 -1.87534056
C -0.02550172 -2.87205676 -1.84530035
C -2.45875871 -0.15525407 -2.17561197
C -2.05675785 -1.54548380 -2.15549480
C -0.79366558 -1.89516689 -2.58722152
C -1.57094388 0.81407089 -2.61042285
C -2.24976202 2.32636032 -0.84742885
C -3.15944381 1.31408593 -0.36407702
C -3.27158271 0.10102041 -1.02021349
C -1.48286096 2.07319446 -1.94885412
C 0.46077119 3.21911076 -0.91623849
C -0.34864160 3.40492355 0.24411912
C -1.69674642 3.03703447 0.30132115
C -0.14099781 2.74584283 -2.24756078
C 1.89144188 1.15412203 -2.28273100
C 2.50176157 1.83350060 -1.13876554
C 1.73344687 2.79446280 -0.46699424
C 0.65083443 1.51161670 -2.76302608
C 0.12177342 -0.88078404 -3.07761122
C 1.44184095 -1.23056328 -2.63849251
C 2.30666834 -0.23083293 -2.24074055
C -0.25642396 0.45601999 -3.09711787
C 3.28184734 4.71211184 -4.16630932
C 3.16790418 5.76872083 -5.07152865
C 1.91689720 6.22808533 -5.37124287
C 0.77931130 5.60939612 -4.80331300
C -0.48074712 6.01474450 -5.22892172
C -1.64694066 5.31774294 -4.93213240
C -2.83240617 5.72360601 -5.59455206
C -3.96560811 4.96700295 -5.51398189
C -3.89444530 3.77565768 -4.79223985
C -2.75207822 3.37387931 -4.11574499
C -1.59343744 4.14455889 -4.11675573
C -0.35318729 3.97954120 -3.23522529
C 0.89509521 4.53196390 -3.88133581
C 2.18117350 4.12272535 -3.56417429
H 4.26443228 4.32889024 -3.92216293
H 4.04627502 6.20602806 -5.52330809
H 1.76574165 7.04774855 -6.06220624
H -0.54849974 6.87175407 -5.89311210
H -2.80150842 6.63437292 -6.17989400
H -4.87791673 5.26027702 -6.01368346
H -4.76420494 3.13284094 -4.73826293
H -2.80666133 2.44126094 -3.59081117
H -0.58506149 4.78946349 -2.51107978
H 2.36274863 3.33147974 -2.86168144
|
optimized_conformer_155.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.35013165 0.06820153 3.12810914
C 3.24778352 -0.37625755 2.08220262
C 1.45507492 -0.82108737 3.69066928
C 3.20953650 -1.68741064 1.64889515
C 3.30398274 -1.98694312 0.23604264
C 3.38358573 0.69880002 1.12203841
C 3.47545521 0.41362587 -0.22685038
C 3.43570889 -0.96153302 -0.67991622
C -0.30264492 0.88559436 3.67182739
C 0.63532375 1.81734821 3.08102820
C 0.09845084 -0.40226813 3.96993802
C 1.93114188 1.41839823 2.81504458
C 2.57043355 1.80851520 1.57528439
C -0.08479856 2.62839294 2.12080385
C 0.52411860 3.00035473 0.93809323
C 1.88309021 2.58099791 0.65921209
C -2.01907541 -1.29496368 3.12091786
C -2.44006072 0.05484689 2.80849704
C -0.78021408 -1.51827354 3.68903744
C -1.60173955 1.11975319 3.07601686
C -1.46724147 2.19568896 2.11693850
C -3.18555423 0.01490968 1.56808225
C -3.05819650 1.04094163 0.65215685
C -2.17947122 2.15738609 0.93401608
C -0.42921332 -3.46238260 2.23806968
C -1.72819416 -3.22776688 1.64383705
C 0.03291862 -2.62733328 3.23709152
C -2.50465801 -2.16915128 2.07422990
C -3.22482768 -1.35973111 1.11403964
C -1.63394425 -3.52652243 0.23053171
C -2.31913870 -2.75419407 -0.68697515
C -3.13321156 -1.64569099 -0.23404480
C 2.27146419 -2.61798798 2.24020711
C 1.78701973 -3.49337633 1.19416306
C 1.41425230 -2.19524704 3.23688535
C 0.46803346 -3.90450976 1.19165947
C -0.27652091 -3.94472520 -0.04891013
C 2.42455180 -3.10235703 -0.04479787
C 1.71485281 -3.14012620 -1.22922215
C 0.33301971 -3.57167020 -1.23120279
C -2.10167983 -1.01332606 -2.24040381
C -1.68129326 -2.36307342 -1.92686934
C -0.38634459 -2.76255793 -2.19258716
C -1.20788412 -0.12561700 -2.80714696
C -2.02512716 1.67298273 -1.35390982
C -2.96221448 0.74154234 -0.76187698
C -2.99824561 -0.56997405 -1.19368529
C -1.16792747 1.24773208 -2.35045773
C 0.67846965 2.51032469 -1.34906925
C -0.22080125 2.95634874 -0.30365983
C -1.54055467 2.54796692 -0.30535673
C 0.21641928 1.67692140 -2.34810082
C 2.26974526 0.34736960 -2.23510400
C 2.75492363 1.22239025 -1.18780078
C 1.97812464 2.27953667 -0.75445595
C 1.03072431 0.57098564 -2.80331608
C 0.55074059 -1.83105741 -2.78534871
C 1.84908940 -2.06449288 -2.18887982
C 2.68973343 -1.00188713 -1.92078057
C 0.15084197 -0.54385462 -3.08571589
C -2.67245886 3.23079341 -6.70928070
C -2.68478592 4.30096913 -7.65332686
C -2.10314806 5.48739529 -7.35494306
C -1.46142821 5.69114361 -6.09370949
C -0.84112055 6.89241437 -5.77172871
C -0.19669668 7.07330252 -4.55291174
C 0.46951831 8.29388331 -4.21839989
C 1.10204242 8.43546924 -3.02888005
C 1.11731593 7.36590776 -2.08472145
C 0.49277944 6.19555757 -2.36137455
C -0.19173440 6.00743106 -3.60391737
C -0.83980043 4.81580814 -3.91269808
C -1.46019530 4.62619133 -5.14359005
C -2.09014248 3.39006127 -5.49536506
H -3.13221947 2.28651587 -6.97004955
H -3.16220168 4.15904770 -8.61390300
H -2.11127381 6.30521326 -8.06551999
H -0.85790044 7.70293311 -6.49203930
H 0.45873446 9.10130048 -4.94109554
H 1.60994959 9.36071290 -2.78908817
H 1.63110219 7.49835456 -1.14165789
H 0.50537487 5.37713025 -1.65071219
H -0.84410123 4.01437884 -3.18287572
H -2.08580459 2.58398665 -4.76984167
|
optimized_conformer_156.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.18174824 0.68749058 2.53901288
C 3.05744585 0.29222850 1.45909808
C 1.45853191 -0.26746898 3.22954912
C 3.16513073 -1.03838997 1.11214817
C 3.19744667 -1.42440771 -0.28500644
C 2.96599162 1.30286994 0.42170472
C 2.98754545 0.93310437 -0.90971793
C 3.10995607 -0.45811192 -1.26677240
C -0.51777361 1.18152862 3.24107775
C 0.23898583 2.17426919 2.51183227
C 0.07940535 -0.01521356 3.58909052
C 1.55265224 1.93591740 2.16541253
C 2.04389032 2.31245295 0.85341014
C -0.65432424 2.78962754 1.55270383
C -0.19295913 3.12057743 0.29166831
C 1.19403110 2.90321774 -0.07460330
C -1.95039079 -1.24247522 2.96209356
C -2.57328291 0.00981880 2.59520634
C -0.65537349 -1.25471207 3.44649611
C -1.87569210 1.19221738 2.73587801
C -1.95305134 2.19409718 1.69258392
C -3.38790588 -0.22257563 1.41690825
C -3.45752869 0.73754847 0.42695177
C -2.72455564 1.96884385 0.56847915
C -0.14056947 -3.23431237 2.09673925
C -1.49648371 -3.22349993 1.59357295
C 0.26985838 -2.27400149 3.00265638
C -2.38147593 -2.24866719 2.01461835
C -3.27007079 -1.62078343 1.06380081
C -1.46149621 -3.62109545 0.20298819
C -2.31222748 -3.02564394 -0.70506011
C -3.23626229 -1.99529744 -0.26825081
C 2.41001022 -2.03944102 1.83231550
C 1.98195518 -3.04690190 0.88464529
C 1.57543576 -1.66404881 2.86733180
C 0.73595972 -3.63265927 1.01712038
C -0.07882212 -3.87370718 -0.15434093
C 2.46885621 -2.66802526 -0.42092838
C 1.68927502 -2.89257161 -1.54278776
C 0.38584368 -3.51800949 -1.40343668
C -2.44232450 -1.39183036 -2.37492139
C -1.82132819 -2.65442495 -2.01297523
C -0.50722607 -2.89511783 -2.35368439
C -1.71760287 -0.44231954 -3.07011905
C -2.69749487 1.34764058 -1.70222606
C -3.41980873 0.35528406 -0.97434944
C -3.31853130 -0.99588092 -1.30513722
C -1.81663664 0.96797335 -2.71652854
C -0.12964821 2.83159322 -2.12076336
C -1.00848404 2.93580272 -0.86338623
C -2.23972935 2.34921115 -0.73969200
C -0.54593903 1.58346735 -2.90421953
C 1.69404478 0.54992004 -2.82420242
C 2.10508023 1.57298982 -1.86223896
C 1.25532587 2.58631768 -1.46978191
C 0.36392955 0.56934243 -3.26648720
C 0.24946516 -1.88212398 -3.06746821
C 1.60100096 -1.89174144 -2.57230137
C 2.29197520 -0.68624508 -2.44325698
C -0.35296627 -0.69047834 -3.41331597
C -1.21518326 7.13180018 -0.82126308
C -1.72128689 8.02404921 -1.76625224
C -1.62319446 7.68869352 -3.09004562
C -1.06173563 6.44799561 -3.46914885
C -0.74624521 6.24235780 -4.81260418
C 0.03150407 5.17149648 -5.25280228
C 0.56088662 5.17750562 -6.56438150
C 1.49396934 4.24313497 -6.92818248
C 1.90694176 3.30569827 -5.97907139
C 1.35611660 3.24894791 -4.70694871
C 0.39495925 4.16118758 -4.32087917
C -0.37101928 4.09791926 -3.02875358
C -0.66256251 5.48328225 -2.49240092
C -0.70119334 5.88716644 -1.16918813
H -1.22151385 7.41143832 0.22483416
H -2.14222195 8.97097363 -1.45906170
H -1.94041206 8.36947888 -3.87089057
H -1.02445506 7.00818445 -5.53131879
H 0.24234887 5.95017139 -7.25316168
H 1.92587970 4.24052270 -7.91880763
H 2.67713036 2.58972437 -6.23774388
H 1.70650240 2.49518314 -4.02605025
H -1.38460459 3.86242440 -3.41251961
H -0.34365682 5.24390534 -0.38500299
|
optimized_conformer_157.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.19117677 0.51111482 2.46203725
C 3.09627091 0.07448562 1.41961198
C 1.30691836 -0.38741773 3.02799563
C 3.07797179 -1.23865220 0.99113050
C 3.18078414 -1.54086129 -0.42129175
C 3.21973726 1.14746505 0.45490825
C 3.31916041 0.85973115 -0.89242043
C 3.29997126 -0.51646167 -1.34060352
C -0.47451428 1.29431921 2.98710587
C 0.45343590 2.23776050 2.39999537
C -0.05800153 0.01402406 3.29300985
C 1.75571715 1.85521147 2.14108041
C 2.39167220 2.24826490 0.90034501
C -0.27308607 3.03596266 1.43298179
C 0.33445770 3.41259635 0.25088019
C 1.69847152 3.00941855 -0.02109779
C -2.16354462 -0.90756271 2.44766693
C -2.59960628 0.43612815 2.12698841
C -0.92327383 -1.11323327 3.02118032
C -1.77487723 1.51267383 2.39202463
C -1.65005667 2.58721251 1.42814565
C -3.33697345 0.38272933 0.88216858
C -3.21934160 1.40697202 -0.03789778
C -2.35559644 2.53469170 0.24180814
C -0.53863681 -3.05557040 1.57582670
C -1.83929431 -2.84066695 0.97603195
C -0.09173013 -2.21377632 2.57530047
C -2.63164636 -1.79123826 1.40008301
C -3.35672565 -0.99397499 0.43312150
C -1.73580556 -3.14262437 -0.43613097
C -2.42757964 -2.38270449 -1.35940528
C -3.25774189 -1.28405084 -0.91373757
C 2.14972256 -2.17873599 1.58399389
C 1.67998596 -3.06252419 0.53781813
C 1.28615491 -1.76476423 2.57962962
C 0.36732123 -3.49179213 0.53334605
C -0.37228664 -3.54522980 -0.70973948
C 2.31725772 -2.66858283 -0.70110815
C 1.61320290 -2.72083955 -1.88845021
C 0.23679161 -3.16940634 -1.89174396
C -2.22753433 -0.64599085 -2.91726908
C -1.79118376 -1.98929089 -2.59862670
C -0.48992755 -2.37411455 -2.85837884
C -1.34200807 0.25055133 -3.48276495
C -2.18744393 2.04365232 -2.04234325
C -3.11584564 1.10357613 -1.44995268
C -3.13452496 -0.21023890 -1.87653789
C -1.32151242 1.62637925 -3.03433487
C 0.50322855 2.92046224 -2.03361779
C -0.40430503 3.35656231 -0.99339191
C -1.71731143 2.92760375 -0.99691747
C 0.05438265 2.07505293 -3.02968847
C 2.12506116 0.77139230 -2.90476362
C 2.59342514 1.65609098 -1.85872198
C 1.80277473 2.70614074 -1.43296541
C 0.88462299 0.97672617 -3.47634034
C 0.43723317 -1.43318094 -3.45127406
C 1.73775101 -1.64773183 -2.85249081
C 2.56214175 -0.57165939 -2.58493139
C 0.02150313 -0.15151267 -3.75538282
C 3.65189715 -0.62631172 6.62898179
C 3.69465089 0.75406976 6.27515822
C 2.54970566 1.46526336 6.12845163
C 1.27365268 0.84990878 6.33265891
C 0.07915216 1.55138230 6.19913483
C -1.15489646 0.92944045 6.36997707
C -2.39163472 1.62688067 6.19226650
C -3.57731670 0.99411344 6.37299314
C -3.61657806 -0.38509436 6.73179815
C -2.46722042 -1.08591531 6.88792754
C -1.19548645 -0.45712258 6.70529296
C -0.00082694 -1.15551779 6.85110519
C 1.23140293 -0.53702243 6.66977622
C 2.46338328 -1.24902030 6.81898776
H 4.57817946 -1.17411938 6.74289614
H 4.65323228 1.23208300 6.12680198
H 2.58228070 2.51139738 5.84980381
H 0.10818199 2.60491198 5.93930742
H -2.35975403 2.67029972 5.90166807
H -4.50536794 1.53572180 6.24886672
H -4.57355857 -0.87078284 6.87143902
H -2.48863886 -2.13598815 7.15398248
H -0.03028468 -2.20675726 7.11698928
H 2.41946814 -2.29644669 7.09196530
|
optimized_conformer_158.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.27152375 0.57979418 2.72666066
C 3.15517347 0.08880285 1.69266043
C 1.38085559 -0.28495579 3.33763262
C 3.13236781 -1.24297915 1.33906505
C 3.21522098 -1.61930088 -0.05256711
C 3.24035178 1.10737751 0.66116305
C 3.25483429 0.75327937 -0.67569889
C 3.28545021 -0.64585258 -1.03172306
C -0.39323260 1.40260171 3.20536379
C 0.54640781 2.31055184 2.58824968
C 0.01435807 0.13640210 3.57514849
C 1.84254601 1.90914673 2.34601652
C 2.45850254 2.22895336 1.07426772
C -0.16125055 3.06106201 1.57318653
C 0.44700033 3.44557975 0.40085338
C 1.79093471 2.97352045 0.12234443
C -2.07626445 -0.82432091 2.72243375
C -2.47911052 0.49375048 2.29136485
C -0.85045962 -1.00031813 3.34051317
C -1.66894577 1.58111927 2.53898166
C -1.49974778 2.57052772 1.51512985
C -3.17718680 0.37752465 1.03788363
C -3.00374164 1.31653019 0.04884075
C -2.09944684 2.38927927 0.26760096
C -0.46918688 -3.03968373 2.04311636
C -1.76491926 -2.87091832 1.42457430
C -0.02401758 -2.12741619 2.98019493
C -2.54818158 -1.77603694 1.74533396
C -3.25408732 -1.05080533 0.71232160
C -1.65969334 -3.28410397 0.04345256
C -2.35281893 -2.60318008 -0.93638252
C -3.15063619 -1.43485913 -0.59791110
C 2.21915479 -2.15437914 1.99716861
C 1.75189320 -3.10582894 1.01271826
C 1.35529420 -1.68266419 2.96570478
C 0.44301587 -3.54888864 1.03919829
C -0.29382960 -3.70407536 -0.19580959
C 2.38004470 -2.78460757 -0.25123386
C 1.68155225 -2.93518134 -1.43016197
C 0.31585367 -3.41449717 -1.40245650
C -2.18469268 -0.99528929 -2.60707547
C -1.71984771 -2.31989199 -2.19281504
C -0.42040760 -2.70340980 -2.41989887
C -1.27762825 -0.14214144 -3.32571929
C -2.17080336 2.04441631 -2.16560541
C -3.22316625 1.05517922 -1.43787127
C -3.01439120 -0.45228121 -1.67304357
C -1.26195217 1.17310710 -3.01580353
C 0.78347490 3.54865082 -1.92610947
C -0.26417634 3.51452731 -0.85703638
C -1.45317022 2.79146985 -0.94903859
C 0.08951970 1.66690651 -3.10626592
C 2.16474487 0.48267126 -2.74857630
C 2.53905330 1.50937810 -1.69389282
C 1.86522165 2.66400759 -1.29041808
C 0.98044152 0.54702993 -3.45354841
C 0.52203141 -1.81768554 -3.11254692
C 1.79350434 -1.93595547 -2.47931128
C 2.59245897 -0.80541485 -2.28475781
C 0.11036176 -0.58293438 -3.56964088
C 1.28450014 4.08902019 -3.28005275
C 1.13617833 5.39171311 -3.95454645
C 0.00020356 5.73602317 -4.54610414
C -1.22600421 4.96033780 -4.36458442
C -2.40803223 5.43983969 -4.85226773
C -3.63816732 4.89079941 -4.44656259
C -4.85695915 5.47516276 -4.88009347
C -6.04897835 5.09146383 -4.34660747
C -6.06918232 4.11218291 -3.33191156
C -4.91597338 3.50199609 -2.92904492
C -3.65576172 3.83221454 -3.50143338
C -2.41532565 3.22872854 -3.13749863
C -1.21263917 3.77635933 -3.57414199
C 0.14109442 3.14349089 -3.25124425
H 2.26560025 3.65303606 -3.42570101
H 2.01888058 6.01215330 -4.03178508
H -0.06807551 6.66263687 -5.10285131
H -2.40922694 6.30781260 -5.50193157
H -4.81580606 6.26033676 -5.62614582
H -6.97094979 5.55840177 -4.66916844
H -7.00842300 3.85386017 -2.85969416
H -4.97540340 2.79775949 -2.11881547
H -4.24716326 1.29332538 -1.71190002
H 0.23264977 1.52138489 -2.01464455
|
optimized_conformer_159.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.37608970 0.45483765 2.82106750
C 3.25632942 0.02264998 1.75674283
C 1.55912402 -0.46104291 3.45414712
C 3.27952358 -1.30392985 1.37312904
C 3.33687180 -1.65098227 -0.03015060
C 3.28945778 1.06486990 0.75329618
C 3.34713167 0.73467590 -0.58531594
C 3.37089969 -0.65322838 -0.98624885
C -0.29556086 1.14124401 3.45152225
C 0.56203432 2.10230390 2.78881284
C 0.19129680 -0.10987916 3.77343591
C 1.86564364 1.76644828 2.47817200
C 2.42991883 2.14238618 1.19941607
C -0.24225022 2.84385541 1.83935514
C 0.30349816 3.21868215 0.61540210
C 1.66132587 2.83743792 0.28670983
C -1.90564886 -1.14988938 3.04323497
C -2.41262523 0.16048216 2.70255335
C -0.63309290 -1.28088016 3.56511385
C -1.62824602 1.28072834 2.90418244
C -1.58924153 2.33594176 1.91013489
C -3.21165430 0.02729566 1.49825598
C -3.17273935 1.02887619 0.53809456
C -2.34418000 2.21190158 0.74951310
C -0.22878594 -3.24993613 2.16711828
C -1.56169008 -3.10881508 1.61587013
C 0.22415917 -2.35769374 3.11844355
C -2.38231189 -2.08459119 2.04420023
C -3.19476852 -1.35502147 1.09127492
C -1.50331653 -3.44672439 0.21097341
C -2.27010434 -2.74653604 -0.70229942
C -3.15565076 -1.69075834 -0.25899107
C 2.42042174 -2.26293965 2.03568391
C 1.94641561 -3.20208387 1.04014032
C 1.57951047 -1.85117975 3.04993260
C 0.65208383 -3.68079464 1.10360291
C -0.13565293 -3.80126194 -0.10519531
C 2.51321509 -2.82352437 -0.23646830
C 1.76124043 -2.94311778 -1.38983329
C 0.40746834 -3.44421929 -1.32139301
C -2.21118266 -1.05736557 -2.34014176
C -1.69535163 -2.35059331 -1.97233771
C -0.39171505 -2.70342269 -2.27961449
C -1.40277683 -0.15887321 -3.01273409
C -2.04533228 1.48886956 -1.44318360
C -3.11828012 0.64707506 -0.84466063
C -3.15648479 -0.65618714 -1.26220406
C -1.54256652 1.38154717 -2.87811773
C 0.38881945 2.62538558 -1.68310607
C -0.48357134 3.12191087 -0.58056238
C -1.74459556 2.59868109 -0.49228485
C -0.04928800 1.77821745 -2.68858591
C 2.06499476 0.53550414 -2.53278794
C 2.53759428 1.45998069 -1.54809088
C 1.70306609 2.47692059 -1.11841648
C 0.78747177 0.68230047 -3.06443043
C 0.45601145 -1.75381212 -2.93409881
C 1.79135645 -1.89428512 -2.38712449
C 2.57477962 -0.77825108 -2.18956735
C -0.04063958 -0.49886193 -3.26882608
C -3.11868812 1.21096804 -4.78576487
C -3.95031172 1.71345661 -5.82688217
C -4.03367899 3.04149857 -6.05314729
C -3.29303347 3.95698695 -5.24355219
C -3.38692885 5.32733225 -5.46486533
C -2.67323549 6.24405023 -4.69954161
C -2.75921469 7.65685320 -4.89608668
C -2.03751708 8.50967786 -4.12651799
C -1.16982681 8.01258962 -3.10946963
C -1.06706540 6.67855057 -2.88994119
C -1.82338806 5.75206470 -3.67268582
C -1.73953402 4.38270593 -3.44719970
C -2.45070037 3.45566282 -4.19810043
C -2.37885323 2.02419188 -3.98464068
H -3.08485242 0.14020339 -4.64143120
H -4.50996086 1.01245729 -6.43172821
H -4.65542676 3.43978162 -6.84624514
H -4.03256406 5.68775460 -6.25921236
H -3.42220790 8.03018688 -5.66667054
H -2.11877851 9.57905481 -4.27615753
H -0.59371426 8.70960128 -2.51449273
H -0.40984689 6.28836334 -2.12045136
H -1.09098992 4.06115333 -2.65588399
H -1.24493537 0.84785246 -1.00459994
|
optimized_conformer_16.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.70008849 0.41613833 2.39149428
C 3.52560262 -0.10317624 1.32265384
C 1.78680806 -0.40601147 3.02226623
C 3.39456171 -1.42222541 0.92813891
C 3.40574274 -1.75986168 -0.47851984
C 3.67987970 0.93767824 0.32944702
C 3.69169320 0.61704773 -1.01389053
C 3.54681113 -0.76329275 -1.42759142
C 0.11047407 1.39357575 3.00596038
C 1.07766104 2.25163228 2.35539217
C 0.46337412 0.09510823 3.33636778
C 2.34200422 1.77762954 2.05678790
C 2.95132095 2.10298746 0.78500523
C 0.37614582 3.08566575 1.41187629
C 0.96680489 3.41162454 0.19975502
C 2.28639112 2.90456855 -0.12086917
C -1.72643590 -0.67492152 2.60590014
C -2.12142207 0.67476577 2.33099724
C -0.47784124 -0.96607623 3.12772981
C -1.20138033 1.68686662 2.48228105
C -1.02974584 2.76565554 1.47632251
C -3.12988698 0.64754276 1.20536615
C -2.94020843 1.84709979 0.16506367
C -1.78013784 2.80727628 0.33621373
C -0.30018462 -2.97407714 1.72314403
C -1.60654591 -2.68681101 1.16977402
C 0.25147495 -2.13697894 2.67493238
C -2.28604392 -1.54326577 1.57975754
C -3.00804239 -0.76279565 0.64784348
C -1.59777084 -3.02449018 -0.22198011
C -2.29638659 -2.25117809 -1.13964532
C -3.04653871 -1.09129497 -0.70354690
C 2.43834855 -2.28491519 1.58771943
C 1.85867132 -3.15705206 0.58988497
C 1.65033211 -1.78665764 2.61084288
C 0.52227016 -3.49913242 0.65723020
C -0.27909803 -3.53035063 -0.54958265
C 2.45511660 -2.83001492 -0.68990939
C 1.68751140 -2.85549693 -1.83703347
C 0.28887783 -3.21155488 -1.76420443
C -2.10102240 -0.54751984 -2.73185664
C -1.70132902 -1.91207096 -2.40308938
C -0.43304280 -2.37752307 -2.70990016
C -1.13417153 0.29873263 -3.33854568
C -1.72854899 2.21443889 -1.93037875
C -2.50119695 1.20068726 -1.14586969
C -2.98890374 -0.08117926 -1.72557228
C -0.97877195 1.70457475 -2.95842416
C 0.99475045 2.87354094 -2.07498285
C 0.18308168 3.40939611 -1.00452080
C -1.17244624 3.09756703 -0.94274072
C 0.43062361 2.04452260 -3.03304101
C 2.38814844 0.57659061 -2.95566571
C 2.98171746 1.44693742 -1.96348657
C 2.29970491 2.56750491 -1.52922421
C 1.13586242 0.86730563 -3.46385604
C 0.51772482 -1.51700018 -3.35559770
C 1.82555713 -1.80683043 -2.82758900
C 2.73979525 -0.78679952 -2.62428366
C 0.16072690 -0.19834563 -3.64718181
C -4.42380228 3.51687679 1.42877338
C -4.20713977 2.28926346 0.80193161
C -4.66806133 1.03631863 1.39075027
C -5.22609335 1.07370613 2.75567215
C -5.47625023 -0.07209932 3.45156894
C -5.81664026 -0.02336469 4.82194567
C -5.96757946 -1.20260966 5.59235594
C -6.25686607 -1.12830756 6.92248346
C -6.42289888 0.12732998 7.55633083
C -6.28158794 1.27855987 6.84550313
C -5.96575448 1.23707822 5.45899021
C -5.75967693 2.40695571 4.71304089
C -5.37215240 2.34324060 3.38510639
C -5.02047140 3.52605037 2.66460689
H -3.98380432 4.41822341 1.02326234
H -1.58066794 0.76470205 -0.67319978
H -5.20516696 0.37598446 0.70757052
H -5.35152192 -1.03687331 2.97214690
H -5.82974184 -2.16209647 5.10843750
H -6.35728960 -2.03516597 7.50364120
H -6.65584788 0.16452578 8.61195284
H -6.39503308 2.24326846 7.32280692
H -5.86717115 3.36933168 5.20130761
H -5.13494792 4.47159029 3.18515376
|
optimized_conformer_160.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.29660508 0.14347905 2.88312357
C 3.21106238 -0.20425568 1.81360165
C 1.37400005 -0.78415073 3.32682529
C 3.15808881 -1.46110398 1.23945436
C 3.27465564 -1.60853172 -0.19271729
C 3.38932479 0.96554581 0.98351740
C 3.48573563 0.83043894 -0.38924654
C 3.42436223 -0.48490524 -0.98555727
C -0.35607427 0.94482115 3.42983254
C 0.60754686 1.91554590 2.96541859
C 0.01947426 -0.37376226 3.61570595
C 1.90851472 1.52435865 2.70557312
C 2.58558856 2.03309786 1.53471870
C -0.06275078 2.83732756 2.07923017
C 0.58606403 3.33185310 0.97636160
C 1.93927585 2.91867599 0.69706962
C -2.09988001 -1.14592929 2.65565433
C -2.49893824 0.23552302 2.47879172
C -0.87076025 -1.43947010 3.21000084
C -1.63738697 1.25756313 2.84068391
C -1.48003518 2.42688316 2.00277508
C -3.22402857 0.33197087 1.23920905
C -3.04072597 1.45168027 0.43451896
C -2.17668645 2.54121967 0.83508149
C -0.51550238 -3.22661979 1.56987267
C -1.80061182 -2.91033164 0.98037536
C -0.06346428 -2.50878965 2.65905752
C -2.57659538 -1.89613697 1.51110285
C -3.27466644 -0.98304827 0.63196402
C -1.68025238 -3.05731447 -0.45231747
C -2.33833607 -2.17858510 -1.29585917
C -3.17405928 -1.13443961 -0.74794043
C 2.19467073 -2.43534873 1.71345323
C 1.72058332 -3.18900496 0.57255294
C 1.32315885 -2.10494659 2.73226915
C 0.39606483 -3.57621916 0.50158942
C -0.32485881 -3.47202519 -0.74996676
C 2.38818214 -2.67786348 -0.60667668
C 1.70358360 -2.58681271 -1.80127524
C 0.31719439 -2.99102767 -1.87355220
C -2.05185777 -0.28070994 -2.66597914
C -1.65679205 -1.65232388 -2.46469851
C -0.36664394 -2.06128729 -2.75110807
C -1.15429021 0.65315688 -3.15034653
C -1.61363936 1.97165543 -1.29928843
C -2.86489085 1.23087218 -0.97029287
C -3.01775114 0.03085851 -1.58884477
C -1.17408781 2.14163179 -2.72140212
C 0.74694526 3.13332453 -1.32323397
C -0.10402332 3.47079202 -0.31128959
C -1.59045726 3.20415467 -0.42582501
C 0.34100725 2.58210770 -2.68822083
C 2.29946754 0.98811076 -2.41364137
C 2.79887144 1.75538013 -1.26136505
C 2.04350590 2.77169631 -0.73677714
C 1.09214216 1.29465110 -2.97666332
C 0.58545007 -1.09183737 -3.20514619
C 1.86105578 -1.40769527 -2.63088499
C 2.69531610 -0.38244644 -2.22760335
C 0.20121414 0.24310596 -3.36174849
C -3.10518383 5.18615097 -0.39573106
C -3.92378190 6.17071052 -1.01774758
C -4.06242033 6.17797729 -2.36193935
C -3.41668745 5.19162543 -3.17259805
C -3.57162083 5.21188343 -4.55104354
C -2.93776828 4.28869711 -5.36994484
C -3.07674299 4.34370713 -6.79153421
C -2.41965200 3.47245546 -7.59290285
C -1.55713354 2.49863547 -7.01741724
C -1.41723372 2.40188323 -5.67087831
C -2.12647080 3.27672698 -4.78214792
C -2.02391945 3.19759971 -3.38648653
C -2.61605162 4.17615852 -2.56195525
C -2.45982230 4.23617094 -1.11736139
H -2.99788765 5.19237643 0.68312211
H -4.42442847 6.91201974 -0.40913418
H -4.66377711 6.92996427 -2.85943056
H -4.19462554 5.97568307 -5.00125913
H -3.71812772 5.10961984 -7.20917388
H -2.53348505 3.52115036 -8.66791051
H -1.00304339 1.83129910 -7.66560870
H -0.74152441 1.66126794 -5.27209224
H 0.52121949 3.31532427 -3.48011505
H -0.86530043 1.28967884 -0.85113590
|
optimized_conformer_161.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 3.19268947 -0.60998247 2.47729987
C 3.58105191 -0.96996885 1.12815073
C 2.25090606 -1.36834311 3.14589534
C 3.02340758 -2.07853680 0.52451200
C 2.61678489 -2.01528811 -0.85922380
C 3.75238719 0.25250403 0.37452559
C 3.30349612 0.33948862 -0.93341286
C 2.74478888 -0.82814647 -1.55620514
C 1.15396563 0.66199610 3.97074803
C 2.15444457 1.45193827 3.29111267
C 1.20858457 -0.71716465 3.91011913
C 3.14968877 0.83115251 2.55988756
C 3.52611785 1.35656896 1.26328459
C 1.49503924 2.62477790 2.75668978
C 1.87328291 3.12872834 1.53187676
C 2.91128033 2.47951040 0.76637266
C -1.22764754 -0.83949604 3.64306536
C -1.27876263 0.60637665 3.67760379
C -0.00946454 -1.48321168 3.74502094
C -0.12058188 1.33903915 3.83814292
C 0.09769307 2.53803603 3.05854805
C -2.28787590 1.03792253 2.73175707
C -2.05174235 2.16784214 1.95124049
C -0.82625360 2.91803134 2.09585870
C -0.66237015 -3.05394890 1.98133460
C -1.93977164 -2.38198019 1.87799088
C 0.28003951 -2.61417785 2.89147331
C -2.21324473 -1.29569443 2.68583466
C -2.87753741 -0.12705212 2.13855698
C -2.33174618 -2.37384752 0.48069053
C -2.99073697 -1.26761469 -0.04846103
C -3.26042349 -0.10813805 0.79875418
C 2.05820114 -2.89137286 1.23519259
C 1.07054946 -3.35134053 0.28271818
C 1.67443616 -2.53800537 2.51296576
C -0.25856003 -3.44046037 0.64674087
C -1.29867732 -3.03034126 -0.27761814
C 1.42654649 -2.82222371 -1.01595915
C 0.44262404 -2.43104031 -1.89831266
C -0.95818464 -2.56294155 -1.54232501
C -2.53316817 0.66206756 -1.28331933
C -2.64261966 -0.82645417 -1.37040162
C -1.67334757 -1.45443110 -2.11300183
C -1.93174885 1.59354649 -2.30809167
C -1.41357505 2.94970962 -0.19227092
C -2.43463951 2.18856069 0.58347823
C -3.05753964 1.09013377 0.04158018
C -1.17484655 2.65973964 -1.48666649
C 1.65149447 3.77278183 -0.67420989
C 0.91591519 3.64726109 0.56507869
C -0.42363145 3.44470833 0.80886213
C -0.18142965 3.03038217 -2.57017824
C 1.63257298 1.04709928 -2.45741534
C 2.65540295 1.52578446 -1.47047158
C 2.53195170 2.61650909 -0.63944756
C 0.40658191 1.61528589 -2.76928281
C -0.68127242 -0.59848591 -2.80124825
C 0.60048830 -1.20055957 -2.64711657
C 1.71501770 -0.39378393 -2.46305371
C -0.73464916 0.76986850 -2.83222022
C -1.22685090 3.29135793 -3.66895427
C -1.17186754 4.19512965 -4.75650159
C -2.22244283 4.24409889 -5.61794835
C -3.37420642 3.40855876 -5.45065229
C -4.46539637 3.48332287 -6.31113355
C -5.58356670 2.67132117 -6.14468460
C -6.71168222 2.74673128 -7.02352978
C -7.78850052 1.94401761 -6.84346545
C -7.82302691 1.01286722 -5.76344507
C -6.77720287 0.91283232 -4.90747724
C -5.61672788 1.73407107 -5.06751831
C -4.53385851 1.65875408 -4.19736955
C -3.42220736 2.47930310 -4.36426830
C -2.31132798 2.47174940 -3.48365382
H 0.52944045 3.83695880 -2.40218641
H -0.31216047 4.83974998 -4.88961287
H -2.20958540 4.92864622 -6.45691647
H -4.44552497 4.20100304 -7.12493280
H -6.68513345 3.46257613 -7.83684386
H -8.63236490 2.00386712 -7.51910950
H -8.69640240 0.38805601 -5.62966454
H -6.80115630 0.20935675 -4.08418486
H -4.56354469 0.95903213 -3.36918756
H -1.52231945 0.52221164 -0.82230235
|
optimized_conformer_162.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.37456328 0.44447899 2.88400984
C 3.30303130 -0.00329692 1.86557998
C 1.49197291 -0.44674674 3.46022866
C 3.28910081 -1.32055977 1.45085436
C 3.42812344 -1.63771131 0.04380511
C 3.44599912 1.05481057 0.89097458
C 3.60863681 0.75539085 -0.45114553
C 3.60582147 -0.62552948 -0.88495982
C -0.30397751 1.22419341 3.36124264
C 0.61834853 2.14622681 2.74854447
C 0.12365583 -0.04622815 3.71620707
C 1.92985511 1.77313622 2.52597278
C 2.59320322 2.14857637 1.29606077
C -0.10688898 2.88608422 1.73378591
C 0.52531224 3.24410716 0.56107218
C 1.90854425 2.87475657 0.34169380
C -1.96843330 -0.99696846 2.87946614
C -2.41427426 0.33179637 2.53314514
C -0.72540793 -1.18266866 3.45451359
C -1.59870773 1.41595010 2.74659058
C -1.47235466 2.43692506 1.71044923
C -3.21288743 0.25923805 1.33302429
C -3.25686394 1.32085565 0.40683740
C -2.20282723 2.36312792 0.52147669
C -0.34030704 -3.11785077 2.00496525
C -1.62571084 -2.88473050 1.37802892
C 0.10459495 -2.27942161 3.01142606
C -2.42689831 -1.87626714 1.84455927
C -3.21736235 -1.10082280 0.89736769
C -1.50592069 -3.14520129 -0.04777125
C -2.41807479 -2.52424442 -1.10036395
C -3.28344658 -1.42490288 -0.45453849
C 2.34717017 -2.24952996 2.03695838
C 1.86731331 -3.11251781 0.98360579
C 1.47890713 -1.82963621 3.02505115
C 0.55707017 -3.52081173 0.96486425
C -0.20481618 -3.51672253 -0.28934798
C 2.54081925 -2.73066344 -0.24982243
C 1.86750846 -2.77782079 -1.45267148
C 0.46354688 -3.13206600 -1.49096780
C -1.91566417 -0.70681431 -2.87609103
C -1.55522408 -1.87802629 -2.25102826
C -0.18859057 -2.32345088 -2.41135347
C -0.88947582 0.16991237 -3.42560874
C -1.81631180 1.73177667 -1.83580316
C -3.75585709 0.94287316 -0.84701789
C -3.72550719 -0.39058264 -1.25065597
C -0.85650094 1.46839253 -2.93028936
C 0.80470414 2.72988089 -1.70705501
C -0.18470470 3.13501453 -0.68233006
C -1.48723588 2.67772639 -0.70782673
C 0.48814431 1.94660349 -2.79662072
C 2.53518058 0.65704414 -2.53356759
C 2.92082269 1.53689087 -1.45205521
C 2.07622299 2.56629076 -1.05761254
C 1.36179632 0.86884319 -3.21175658
C 0.81077818 -1.50412386 -3.08121743
C 2.08229160 -1.74490283 -2.43215436
C 2.93197506 -0.69432323 -2.16129139
C 0.48472737 -0.25365673 -3.52406741
C -3.28897013 -0.08678574 -2.66115538
C -4.24117401 -0.40105579 -3.76592684
C -4.82324832 0.55086417 -4.48392976
C -4.59780125 1.98514160 -4.26619754
C -5.05397663 2.89036329 -5.18482583
C -4.82884688 4.27700825 -5.03674133
C -5.23342772 5.21271930 -6.02048478
C -4.96567579 6.54140638 -5.86445215
C -4.29528121 7.00104253 -4.70907343
C -3.91037367 6.12115059 -3.73810174
C -4.15886548 4.73414074 -3.88139211
C -3.70649538 3.78372867 -2.93032496
C -3.88822142 2.44284269 -3.11666874
C -3.25230566 1.43230117 -2.20390142
H -3.05674906 -3.30594530 -1.53010736
H -4.43906237 -1.45003734 -3.95680863
H -5.50412813 0.28175009 -5.28320441
H -5.57677807 2.53867030 -6.06765501
H -5.74532184 4.85098741 -6.90478121
H -5.26242922 7.24858771 -6.62785373
H -4.08351152 8.05667670 -4.60051356
H -3.39264947 6.47104238 -2.85324214
H -3.18065051 4.14747660 -2.05367689
H -1.56977769 0.82270990 -1.24685774
|
optimized_conformer_163.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.06705579 0.73275880 2.96267995
C 3.13795775 0.32180849 2.07954594
C 1.24041670 -0.20995585 3.53839686
C 3.31647474 -1.01963954 1.78848830
C 3.60752760 -1.43090412 0.43188314
C 3.24559659 1.30279766 1.02839876
C 3.52882369 0.91379348 -0.26576068
C 3.71669304 -0.48682445 -0.57252248
C -0.71363693 1.22948326 3.13892118
C 0.14528298 2.19828690 2.49051152
C -0.17768790 0.04285890 3.63687777
C 1.50880390 1.96247726 2.44049478
C 2.24108136 2.31649813 1.26477540
C -0.55689961 2.82951718 1.40002348
C 0.16854871 3.22670667 0.29881130
C 1.57009079 2.90084795 0.21605551
C -2.05905795 -1.19277061 2.71870569
C -2.60603497 0.05498104 2.22869150
C -0.86817949 -1.19516844 3.41675065
C -1.96770588 1.24769284 2.47652425
C -2.08045908 2.44455491 1.55146921
C -3.16141789 -0.19598991 0.92066853
C -3.13848711 0.82125390 -0.08944794
C -2.77716151 2.11676378 0.25031551
C -0.11748918 -3.19429391 2.20639513
C -1.36547016 -3.17649474 1.46354152
C 0.12596473 -2.22862795 3.15901665
C -2.30128974 -2.19723822 1.71852180
C -2.99355971 -1.55938169 0.61320545
C -1.07622321 -3.56631463 0.10494898
C -1.75762315 -2.96523986 -0.95320340
C -2.72839873 -1.96766792 -0.69804139
C 2.43832783 -2.00700600 2.37947556
C 2.18146072 -3.02640471 1.38521023
C 1.43088885 -1.61498081 3.24184512
C 0.92998626 -3.60477834 1.29748235
C 0.32981769 -3.83378260 0.00054443
C 2.90183705 -2.66949582 0.18181990
C 2.33845491 -2.90090687 -1.05850328
C 1.02160140 -3.48973370 -1.15593496
C -1.55883998 -1.37462005 -2.64721753
C -1.03207477 -2.59819918 -2.16346056
C 0.33399782 -2.86556519 -2.25220518
C -0.70436049 -0.43849762 -3.25903623
C -1.99090125 1.35451499 -2.15180660
C -2.86939405 0.35642114 -1.47906419
C -2.64757007 -0.96153617 -1.73857827
C -0.88617636 0.93426200 -3.02409070
C 0.67634032 2.59436997 -1.93258057
C -0.32631577 3.31345236 -1.09651248
C -1.58879548 3.57414707 -1.40928286
C 0.40964719 1.58295412 -2.87079046
C 2.58339989 0.51788863 -2.36492366
C 2.82757587 1.52253583 -1.37041626
C 1.87401324 2.50456374 -1.14829728
C 1.40680766 0.53612534 -3.08467560
C 1.21908857 -1.89753649 -2.85554436
C 2.46202753 -1.91330830 -2.10628993
C 3.13255119 -0.73652971 -1.87148809
C 0.72094844 -0.70906746 -3.33793480
C -2.86347538 3.21830336 -0.75885485
C -3.95129706 4.21946389 -0.62075586
C -4.63823392 4.66096014 -1.67003505
C -4.45076391 4.15131411 -3.03193709
C -5.30231826 4.52662039 -4.03847500
C -5.22531646 3.95290873 -5.32850530
C -6.13797487 4.28255274 -6.36329615
C -6.06017161 3.66767615 -7.57931897
C -5.05100477 2.71134467 -7.83421070
C -4.15253010 2.38526263 -6.86033796
C -4.22678996 2.98519369 -5.57987711
C -3.33533748 2.62811499 -4.53936813
C -3.43080559 3.19112813 -3.29840213
C -2.52762843 2.76823646 -2.19955885
H -2.59288672 3.27935324 2.04972669
H -4.15802919 4.59185253 0.37644097
H -5.41520793 5.40299208 -1.52739238
H -6.08072768 5.25493366 -3.83608815
H -6.90319321 5.02618559 -6.16972248
H -6.77165448 3.91291050 -8.35719259
H -4.99467756 2.23948213 -8.80676366
H -3.36900168 1.66120078 -7.05004619
H -2.57043874 1.88725136 -4.74498609
H -1.32462422 1.44779267 -1.27693847
|
optimized_conformer_164.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.85165495 -0.11225769 2.74704281
C 3.52657098 -0.39982031 1.49800916
C 1.95742477 -1.02451367 3.27289511
C 3.28770808 -1.59030536 0.83887243
C 3.14144563 -1.60324271 -0.59595683
C 3.62829370 0.83200812 0.74985912
C 3.46493948 0.82273964 -0.62522865
C 3.21441774 -0.42033670 -1.31426453
C 0.41431284 0.78210007 3.86272685
C 1.35258286 1.73742474 3.31476051
C 0.71022170 -0.56630544 3.84487269
C 2.54299118 1.30015563 2.77013854
C 3.03060197 1.88558483 1.53757617
C 0.59710031 2.78387124 2.65719429
C 1.06995466 3.35156565 1.48779645
C 2.31902267 2.89051441 0.91636260
C -1.59521616 -1.09796326 3.19600298
C -1.90130407 0.31482687 3.21806389
C -0.31886446 -1.52775634 3.50393387
C -0.92178899 1.23261150 3.53875598
C -0.80703736 2.47009922 2.79570328
C -2.81505216 0.58524612 2.12748884
C -2.70146523 1.76526461 1.40749543
C -1.68375021 2.74154659 1.76322638
C -0.40278190 -3.14786390 1.66701881
C -1.74653980 -2.71429162 1.35750357
C 0.29172764 -2.57461174 2.71837016
C -2.32546010 -1.69838883 2.09997949
C -3.08018251 -0.64720280 1.44407140
C -1.93279932 -2.77174247 -0.07872114
C -2.65328003 -1.76596273 -0.68581240
C -3.24941008 -0.65658545 0.05848744
C 2.34973065 -2.54776856 1.39360291
C 1.62750495 -3.15111563 0.29722810
C 1.69714588 -2.26812939 2.57743973
C 0.27864850 -3.43202223 0.42560186
C -0.63766870 -3.17920669 -0.67032808
C 2.12958835 -2.57713365 -0.93148991
C 1.27189308 -2.34434635 -1.98189399
C -0.12831386 -2.66917078 -1.85367714
C -2.49283100 0.30494148 -2.05652047
C -2.01824875 -1.12914158 -1.85628556
C -0.85110212 -1.63234780 -2.60023872
C -1.18358365 1.01046488 -1.92135242
C -1.92248838 2.78656036 -0.54974613
C -2.85818805 1.75435890 -0.01917994
C -3.16321199 0.57903368 -0.69325985
C -1.18328353 2.45837761 -1.64652656
C 0.85809872 3.37665203 -0.84227272
C 0.15864268 3.64759796 0.40395646
C -1.20002004 3.36918711 0.55286796
C 0.17540442 2.80537420 -1.91112933
C 1.98861067 1.27965239 -2.40077778
C 2.71473612 1.86510134 -1.28147525
C 2.17695416 2.89369030 -0.52592450
C 0.75139311 1.75129691 -2.75408187
C 0.02516781 -0.71357486 -3.13530610
C 1.36507676 -1.10836382 -2.74454547
C 2.31177265 -0.16638749 -2.40845726
C -0.37566381 0.76318267 -3.17866589
C -1.55991581 0.98817898 -4.13901366
C -1.52756064 1.29798040 -5.52307677
C -2.69132724 1.35547457 -6.21966378
C -3.95440581 1.09287885 -5.59508911
C -5.15401897 1.16006552 -6.29814344
C -6.37605987 0.91225411 -5.67921426
C -7.61935745 1.01696940 -6.38129820
C -8.79686006 0.79060219 -5.75042292
C -8.82126125 0.41936020 -4.37323091
C -7.66642516 0.30782928 -3.67252581
C -6.40377147 0.56442864 -4.29506324
C -5.20902830 0.49530348 -3.58740665
C -3.99090865 0.75555253 -4.20620790
C -2.75416421 0.71581858 -3.50404020
H -0.62329483 0.62490923 -1.04459572
H -0.57903910 1.48857343 -6.00900804
H -2.68311564 1.60794289 -7.27285804
H -5.13663755 1.41987956 -7.35134084
H -7.60206116 1.29216024 -7.42907391
H -9.73060706 0.89525997 -6.28761800
H -9.77224235 0.22825903 -3.89295954
H -7.67622966 0.02746493 -2.62569270
H -5.22936480 0.24405074 -2.53268815
H -1.25175935 -0.84611060 -1.08406703
|
optimized_conformer_165.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 1.80814989 0.46470393 3.31016362
C 2.92969194 -0.06249825 2.56873254
C 0.72011216 -0.34493105 3.58341861
C 2.93785179 -1.38446685 2.15459463
C 3.43343569 -1.72894411 0.84274244
C 3.41197364 0.97653694 1.68628128
C 3.86237150 0.65088549 0.42319647
C 3.88157866 -0.73232303 -0.00926621
C -0.81518478 1.49384468 3.10227683
C 0.31767295 2.33981094 2.79324623
C -0.61562416 0.18190251 3.48730899
C 1.59879050 1.83537344 2.89160280
C 2.58049360 2.14747711 1.87666530
C -0.04700221 3.16819793 1.66521144
C 0.87973308 3.44159609 0.67726772
C 2.22915709 2.93093937 0.79435935
C -2.42694304 -0.54291082 2.02845978
C -2.73038209 0.83276778 1.70229104
C -1.45684140 -0.87127904 2.93499150
C -1.88814185 1.83305808 2.18988913
C -1.41226095 2.85598528 1.30161967
C -3.20851103 0.88745998 0.35854021
C -2.70212316 1.84992911 -0.48601300
C -1.78324571 2.82731031 -0.04318149
C -0.83063124 -2.88814087 1.58112155
C -1.83570440 -2.63383670 0.58723133
C -0.62393270 -2.02446228 2.66874118
C -2.51617515 -1.31933401 0.74837004
C -3.33182965 -0.48091940 -0.20027251
C -1.37042093 -3.10534153 -0.70970775
C -1.72086896 -2.55674728 -1.95063062
C -3.41796161 -0.66586772 -1.51299193
C 1.80036616 -2.22743049 2.43212745
C 1.60292715 -3.11859357 1.31468528
C 0.70635923 -1.71673103 3.11235305
C 0.32847669 -3.44462075 0.90843047
C 0.00888723 -3.53650020 -0.49447471
C 2.62932855 -2.81163769 0.32713383
C 2.32319342 -2.87238000 -1.00903987
C 0.99152286 -3.26444832 -1.41964434
C -1.00128299 -0.78306050 -3.35410728
C -0.66015013 -2.12505530 -2.80423646
C 0.65109682 -2.47027907 -2.56590365
C 0.05887159 0.21574441 -3.37210778
C -1.05161224 2.19999113 -2.22125437
C -2.24587293 1.36217656 -1.82834057
C -2.33926441 -0.65447608 -3.20078286
C 0.00969179 1.61417462 -2.91522574
C 1.59907799 2.84106232 -1.46020984
C 0.50408633 3.38190789 -0.72122168
C -0.79868345 3.06226946 -1.09714056
C 1.36121844 1.98501423 -2.52470489
C 3.25185545 0.58464559 -1.83433774
C 3.48353226 1.46739729 -0.70867554
C 2.68314581 2.57302842 -0.53197486
C 2.21312898 0.84552642 -2.70407004
C 1.70663402 -1.55513300 -2.83072003
C 2.76499116 -1.81545028 -1.90476782
C 3.52157377 -0.76798690 -1.40186354
C 1.38824257 -0.23347076 -3.21444697
C -2.94887607 -1.78672379 -2.39927784
C -4.11816738 -2.41517867 -3.11190563
C -5.06856871 -1.69060789 -3.70874138
C -5.26612853 -0.21792814 -3.84794255
C -6.39166187 0.17356219 -4.52497145
C -6.71752184 1.53219555 -4.76065371
C -7.88349721 1.91455260 -5.46654269
C -8.16422571 3.23437288 -5.67936933
C -7.29401027 4.23435945 -5.19584465
C -6.16122006 3.89152326 -4.51380236
C -5.84786617 2.53241980 -4.28117157
C -4.68836085 2.13228564 -3.56913230
C -4.40096152 0.82077814 -3.34831864
C -3.18739657 0.42986394 -2.57545707
H -1.54017928 -0.85421616 0.40156423
H -4.18227761 -3.49626399 -3.13485019
H -5.85491270 -2.25612508 -4.19842288
H -7.06881232 -0.58443345 -4.90281273
H -8.55074195 1.14271683 -5.83136010
H -9.05668747 3.52172693 -6.21936944
H -7.52980298 5.27622872 -5.36985098
H -5.49053980 4.65596056 -4.14046300
H -4.01818539 2.89608766 -3.18839286
H -1.59550125 0.55965219 -1.42732799
|
optimized_conformer_166.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.16088220 0.75608479 2.86736238
C 3.18685366 0.39757748 1.90983889
C 1.38020395 -0.22757725 3.43859134
C 3.37275971 -0.92411965 1.55324984
C 3.60964177 -1.27772718 0.16893386
C 3.23588958 1.42468220 0.89509276
C 3.47517630 1.09138154 -0.42340833
C 3.65835114 -0.29094086 -0.79732286
C -0.59580870 1.20324460 3.20583357
C 0.21336713 2.23439278 2.59691232
C -0.03688758 0.00497048 3.59798460
C 1.55696602 1.99729845 2.43484916
C 2.22459128 2.40088416 1.20798441
C -0.59222624 2.91989736 1.55999456
C 0.10114101 3.38644564 0.34531892
C 1.51819029 3.02176751 0.21216784
C -1.94060638 -1.21953784 2.65487074
C -2.51324564 0.03499213 2.23207738
C -0.72635288 -1.23635089 3.31994547
C -1.86898949 1.21724071 2.52581138
C -1.84018333 2.29965068 1.55843943
C -3.18765415 -0.20488928 0.93636787
C -3.20750100 0.76850907 -0.03470738
C -2.56503598 2.09604741 0.27737618
C -0.00505770 -3.17443646 2.01201391
C -1.27475903 -3.16258801 1.32385715
C 0.26204060 -2.23687034 2.99262905
C -2.22005709 -2.20907304 1.64136791
C -2.98515233 -1.57292055 0.59083688
C -1.04171725 -3.52138597 -0.05987984
C -1.76594825 -2.91280593 -1.06487449
C -2.75994093 -1.91166917 -0.73354348
C 2.54044223 -1.95187003 2.14043986
C 2.25990478 -2.93851306 1.11837483
C 1.56760154 -1.61256471 3.06007474
C 1.01688122 -3.53817752 1.05574310
C 0.37681243 -3.75106163 -0.22609378
C 2.91999225 -2.52245965 -0.09941659
C 2.30832495 -2.72447529 -1.32203634
C 1.00718642 -3.35397369 -1.38896463
C -1.72630143 -1.27909351 -2.73472551
C -1.12043241 -2.50727805 -2.29511853
C 0.24722077 -2.70612674 -2.44238019
C -0.90376031 -0.29759488 -3.23117662
C -2.50940412 2.82768690 -1.91806818
C -3.05557665 0.42434093 -1.41843392
C -2.77098717 -0.89701300 -1.74328035
C -1.15177768 1.08058461 -2.73254928
C 0.55165468 2.85985220 -1.89124060
C -0.39588080 3.52681640 -0.95082459
C -1.75724644 3.71754445 -1.33633588
C 0.19747337 1.85168779 -2.78399202
C 2.40765899 0.76920256 -2.47513124
C 2.71795036 1.74163501 -1.46778147
C 1.79752119 2.72439380 -1.16867690
C 1.16058425 0.80425263 -3.08914468
C 1.07305252 -1.67184297 -3.00498679
C 2.34709013 -1.68294211 -2.32601171
C 2.99664062 -0.49333929 -2.07008470
C 0.49942567 -0.45933650 -3.37798156
C -3.01758582 3.23262938 -0.62031898
C -4.43065889 3.66114110 -0.74568775
C -5.18892844 3.19619477 -1.75140469
C -4.99342786 2.27946451 -2.93885161
C -6.14992518 2.08468055 -3.65176820
C -6.23610740 1.28239444 -4.81415799
C -7.46924533 1.05258810 -5.46940871
C -7.52751588 0.25437970 -6.57568323
C -6.35250363 -0.33861182 -7.08582251
C -5.14881718 -0.12796496 -6.47310469
C -5.06675782 0.68127776 -5.31619913
C -3.86272314 0.85297735 -4.58523675
C -3.81662211 1.57636167 -3.43429039
C -2.62338039 1.49908375 -2.49690619
H -1.62304536 1.84842090 -0.24743173
H -4.89208095 4.32080909 -0.01964826
H -6.21010803 3.56406246 -1.74117349
H -7.06281052 2.55449471 -3.30443974
H -8.36910224 1.50200583 -5.06682368
H -8.47648392 0.06784471 -7.06145858
H -6.41202871 -0.97107934 -7.96212744
H -4.24702972 -0.58959980 -6.85697822
H -2.97361855 0.32649819 -4.91203391
H -0.95809177 0.83568874 -1.66772145
|
optimized_conformer_167.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.27598477 0.86052061 2.84685412
C 3.21768067 0.44906171 1.83032105
C 1.44151312 -0.07328302 3.43866767
C 3.28243936 -0.87330383 1.44311940
C 3.41449583 -1.20733000 0.04526081
C 3.28118940 1.49811585 0.83173412
C 3.40852845 1.17667067 -0.50340670
C 3.47967044 -0.21082644 -0.90260412
C -0.43339179 1.50589050 3.34115097
C 0.44270509 2.47962844 2.72332557
C 0.05709362 0.25771763 3.68913077
C 1.76599704 2.16300052 2.48269427
C 2.38434626 2.55628948 1.23634278
C -0.31787732 3.20625618 1.73462878
C 0.27067302 3.58598532 0.54773735
C 1.65019850 3.24652264 0.28838494
C -1.98515160 -0.82164743 2.88994404
C -2.49776897 0.48225953 2.50712366
C -0.73667012 -0.92684191 3.45832108
C -1.72968980 1.62012280 2.72484950
C -1.67321370 2.67889903 1.73778530
C -3.19221876 0.33020238 1.26357032
C -3.15244224 1.35956304 0.30294748
C -2.36045937 2.55595520 0.55321914
C -0.23776532 -2.88769790 2.07570057
C -1.55084149 -2.78499949 1.47915181
C 0.16160760 -1.99431318 3.04356090
C -2.39971462 -1.77528302 1.87919094
C -3.16174250 -1.06075682 0.88591197
C -1.42791347 -3.12941577 0.07144550
C -2.19420771 -2.49347091 -0.88590991
C -3.00295202 -1.40315172 -0.44559772
C 2.40534428 -1.85524027 2.05617691
C 1.99118270 -2.77941333 1.03846158
C 1.50333868 -1.45685484 3.03071783
C 0.69128575 -3.30363959 1.03715164
C -0.03062380 -3.44965355 -0.17257752
C 2.61114007 -2.39758281 -0.20197741
C 1.91962743 -2.52385466 -1.38795316
C 0.55830792 -3.04545788 -1.39274951
C -1.95233114 -0.69901712 -2.33560046
C -1.66483241 -2.17301035 -2.29807764
C -0.17760633 -2.36876779 -2.36430830
C -1.31554570 0.20101163 -3.32067007
C -2.16409970 2.01594785 -1.72177625
C -3.00239378 1.03606134 -1.05249991
C -2.87243320 -0.32802485 -1.41354836
C -1.30053857 1.62151087 -2.72738049
C 0.45512575 3.01552533 -1.71754320
C -0.46269038 3.44510511 -0.70275610
C -1.75391651 2.95553052 -0.70096820
C 0.04169102 2.10588281 -2.69014069
C 2.21029168 0.93377765 -2.49913560
C 2.62354147 1.88433971 -1.49623972
C 1.76521083 2.89570402 -1.10972834
C 0.94385818 1.03031005 -3.08370781
C 0.66397244 -1.36972608 -2.96633113
C 1.98075346 -1.48410067 -2.37419972
C 2.73330662 -0.34913668 -2.14183558
C 0.18125084 -0.12833166 -3.34593638
C -1.57085599 -2.53208333 -4.80672991
C -1.41381558 -1.32161861 -5.32709105
C -2.10331595 -0.14537897 -4.67610898
C -3.52689944 -0.57247730 -4.35857384
C -4.60388969 0.24253480 -4.52045589
C -5.91284250 -0.18622765 -4.16101494
C -7.04733355 0.63899324 -4.34629838
C -8.29801508 0.19033089 -4.02596515
C -8.47061042 -1.09847977 -3.48089815
C -7.38952633 -1.90834809 -3.27160405
C -6.08596702 -1.47871677 -3.61745377
C -4.94410544 -2.31081454 -3.44693743
C -3.70379119 -1.88576606 -3.80926737
C -2.45158188 -2.71167186 -3.58963604
H -1.05148704 -3.39153732 -5.21037911
H -0.76818206 -1.14755558 -6.17793987
H -2.09781395 0.73466577 -5.31744306
H -4.47334175 1.24076699 -4.92495907
H -6.90715002 1.63340853 -4.75340780
H -9.16040755 0.82275555 -4.19119088
H -9.46426353 -1.44556201 -3.22986809
H -7.52146278 -2.89613324 -2.84635900
H -5.07156384 -3.29732898 -3.01239833
H -2.70170154 -3.75937120 -3.42994928
|
optimized_conformer_168.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.27728432 0.61610496 2.46575641
C 3.18090862 0.18240176 1.42168466
C 1.39656417 -0.28457547 3.03513832
C 3.16357456 -1.13098558 0.99293891
C 3.26309149 -1.43275790 -0.41898755
C 3.30101603 1.25662038 0.45861137
C 3.39680750 0.96885166 -0.88924056
C 3.37702196 -0.40699621 -1.33753595
C -0.38828145 1.39565785 3.00729159
C 0.53536167 2.33800952 2.41222224
C 0.03286243 0.11568721 3.30717352
C 1.83732155 1.95830382 2.14743380
C 2.47030189 2.35463453 0.90660891
C -0.19515656 3.13238180 1.44629018
C 0.40810994 3.51042855 0.26249958
C 1.77247846 3.11338046 -0.01337899
C -2.07218847 -0.81289982 2.46119368
C -2.51419346 0.53105891 2.14365355
C -0.83007207 -1.01516639 3.02889177
C -1.69178228 1.60879094 2.40894073
C -1.57154086 2.68263412 1.44569425
C -3.25529726 0.47496723 0.90142025
C -3.14179027 1.49987783 -0.01842153
C -2.28086513 2.62896707 0.26080351
C -0.44831688 -2.95810134 1.58567284
C -1.74998898 -2.74372475 0.98826749
C 0.00069895 -2.11481444 2.58372866
C -2.54469187 -1.69762562 1.41640506
C -3.27376335 -0.90148780 0.45198785
C -1.65072706 -3.04559304 -0.42404353
C -2.34777914 -2.28738549 -1.34499947
C -3.17727093 -1.19010777 -0.89589464
C 2.24001584 -2.07362037 1.58868849
C 1.76889621 -2.95810793 0.54306658
C 1.37787471 -1.66247269 2.58666507
C 0.45621152 -3.38879360 0.54011423
C -0.28653633 -3.44402914 -0.70056413
C 2.40137408 -2.56205461 -0.69702890
C 1.69341010 -2.61323038 -1.88216534
C 0.31907821 -3.06612205 -1.88352464
C -2.15392315 -0.54772675 -2.90297756
C -1.71375477 -1.88964786 -2.58438162
C -0.41229716 -2.27118479 -2.84660733
C -1.27204289 0.35151034 -3.47076544
C -2.11617545 2.14027192 -2.02438695
C -3.04012587 1.19771198 -1.43057186
C -3.05818815 -0.11552400 -1.85861423
C -1.25351363 1.72712434 -3.02122270
C 0.57183431 3.02350708 -2.02310321
C -0.33372691 3.45507637 -0.97929545
C -1.64582148 3.02347382 -0.97888139
C 0.12157688 2.17873750 -3.01921120
C 2.19627621 0.87923203 -2.89850782
C 2.66665830 1.76407041 -1.85365291
C 1.87398452 2.81179197 -1.42583457
C 0.95336166 1.08195762 -3.46647823
C 0.51089905 -1.32832031 -3.44188947
C 1.81287455 -1.53981397 -2.84602038
C 2.63607696 -0.46256951 -2.57982862
C 0.09202208 -0.04741424 -3.74520895
C -1.24274191 3.47838094 6.58967374
C -2.45550041 2.83445793 6.20404376
C -2.50679242 1.48639888 6.06448083
C -1.34987296 0.67836037 6.30312481
C -1.36610279 -0.70577149 6.16394966
C -0.21458656 -1.46710557 6.34324040
C -0.19775336 -2.88548692 6.15351724
C 0.93900698 -3.59986599 6.34378606
C 2.15031758 -2.94937478 6.72272580
C 2.17972358 -1.60552444 6.89067727
C 1.00176294 -0.81593323 6.70679386
C 1.01171798 0.56433035 6.87101428
C -0.13285969 1.32660972 6.67264950
C -0.12286286 2.74933635 6.81379378
H -1.22027711 4.55531879 6.69998231
H -3.33813100 3.43399475 6.02152406
H -3.42466028 1.00074649 5.75562639
H -2.29057679 -1.20101185 5.88654361
H -1.11198413 -3.37871392 5.84569480
H 0.93266872 -4.67352909 6.20906844
H 3.04970020 -3.53495071 6.86736974
H 3.09902141 -1.10553053 7.16973027
H 1.93271654 1.05766709 7.16102952
H 0.80206607 3.23276492 7.10447132
|
optimized_conformer_169.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 1.65235694 0.50129773 3.54113851
C 2.95372089 0.24391488 2.96922440
C 0.70163646 -0.50360857 3.56968000
C 3.25253453 -1.00766247 2.46238721
C 3.97657856 -1.12709915 1.21304191
C 3.37342210 1.43388674 2.25620102
C 4.06082010 1.31887512 1.06336995
C 4.36622251 0.00825877 0.52964764
C -1.04593705 1.08792673 2.92558347
C -0.05100874 2.14515784 2.89861122
C -0.67564138 -0.20366784 3.24710867
C 1.26651005 1.85281674 3.18884247
C 2.33044261 2.42739218 2.39262356
C -0.37060093 3.01752228 1.79108160
C 0.64027873 3.55776324 1.02291907
C 2.02276973 3.26018755 1.33350373
C -2.11291755 -1.11230161 1.49539513
C -2.47219129 0.21688115 1.13150158
C -1.22875993 -1.31748462 2.52083689
C -1.96146495 1.30677688 1.84365421
C -1.55932702 2.49053067 1.14484370
C -2.63861453 0.27699591 -0.28397545
C -2.22832175 1.40432338 -0.94742516
C -1.67799498 2.52784436 -0.23205886
C -0.06769448 -3.06636052 1.24708371
C -1.00172574 -2.85927302 0.14645537
C -0.17417388 -2.33309181 2.40179471
C -2.27515066 -2.06686953 0.32010194
C -2.66346951 -1.13103071 -0.90715975
C -0.31145285 -2.95844458 -1.02851822
C -0.62671170 -2.08136371 -2.13044217
C -1.61499373 -1.14737218 -2.00707428
C 2.26234381 -2.05935021 2.50698455
C 2.37407577 -2.83129752 1.28894824
C 1.01025887 -1.81298131 3.04338984
C 1.24040675 -3.33098442 0.68121176
C 1.09926727 -3.25278906 -0.74776884
C 3.43118358 -2.25442492 0.48987549
C 3.29292557 -2.18867451 -0.88340430
C 2.09490692 -2.69423074 -1.50675745
C 0.09039966 -0.19055098 -3.31118293
C 0.46813772 -1.52790853 -2.93686385
C 1.77328560 -1.81274513 -2.63337170
C 1.03985108 0.81005459 -3.35109762
C -0.51482800 2.35390861 -2.25582418
C -1.49969099 1.30083472 -2.21990944
C -1.20664985 0.05783626 -2.72127900
C 0.73070251 2.11779298 -2.81201833
C 1.80895695 3.36132811 -0.99743996
C 0.50953422 3.61533251 -0.41954909
C -0.62427124 3.11359981 -1.03185623
C 1.91584358 2.62957684 -2.16681367
C 3.84827969 1.41954576 -1.26707637
C 3.74001147 2.19064463 -0.04632220
C 2.74486687 3.14003301 0.08590744
C 2.96352040 1.63637411 -2.30519882
C 2.77590832 -0.77737652 -2.68644087
C 3.70605972 -1.00187630 -1.60041472
C 4.23238162 0.07119036 -0.90910324
C 2.41954274 0.51185129 -3.03761865
C -4.01434768 -1.46069377 -1.57171995
C -4.74727468 -2.66352148 -1.32336232
C -5.86563530 -2.96822099 -2.02844042
C -6.34482317 -2.11136952 -3.06521176
C -7.44303658 -2.42886848 -3.85945918
C -7.86296860 -1.58520097 -4.88223523
C -8.97487840 -1.90185185 -5.72964624
C -9.35447127 -1.06116979 -6.72280753
C -8.65262553 0.16127522 -6.94503888
C -7.59231205 0.49298005 -6.17062608
C -7.15637500 -0.36690312 -5.11339522
C -6.06133716 -0.05028033 -4.31821084
C -5.63707246 -0.89925693 -3.30246880
C -4.47777374 -0.60768744 -2.52263556
H -3.09441970 -2.75149541 0.53819462
H -4.42180114 -3.36074333 -0.56526361
H -6.40363936 -3.88592381 -1.82098692
H -7.97047207 -3.36229652 -3.69354427
H -9.50227351 -2.83355506 -5.56181916
H -10.19137127 -1.31099495 -7.36288897
H -8.97200713 0.81977464 -7.74255918
H -7.04849805 1.41544277 -6.33526507
H -5.51462510 0.86854514 -4.50133614
H -3.93992448 0.30822746 -2.74075823
|
optimized_conformer_17.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 3.30344745 0.20072013 2.12061215
C 3.88096673 -0.31192114 0.89886294
C 2.48292428 -0.59718454 2.88766929
C 3.59473909 -1.60499821 0.47332174
C 3.36265196 -1.86634353 -0.93741858
C 3.94593890 0.76504068 -0.05820975
C 3.72462052 0.51211119 -1.40120383
C 3.43284289 -0.83096014 -1.85066405
C 0.88755738 1.23973514 3.15300457
C 1.78269633 2.10405298 2.40511977
C 1.26257072 -0.04429898 3.44637145
C 2.96003472 1.59527902 1.89533889
C 3.37240629 1.94549017 0.55549575
C 0.97285865 2.98416100 1.60812610
C 1.37848274 3.34933165 0.34189246
C 2.60582522 2.81087854 -0.20130714
C -1.09726405 -0.80357190 3.15348289
C -1.47974249 0.52622585 2.64777937
C 0.24330863 -1.05546568 3.43823030
C -0.47931902 1.52373627 2.74725151
C -0.41437820 2.63085504 1.84464491
C -2.50973909 0.68699590 1.60098523
C -2.36377035 1.74064653 0.70575907
C -1.32625473 2.71979337 0.82066075
C 0.00758002 -2.67179517 1.68918769
C -1.46366165 -2.53894740 1.57993250
C 0.81914223 -2.18349769 2.77999214
C -1.99887083 -1.87720853 2.68073853
C -3.53059468 -0.33507676 1.05371965
C -1.70716069 -2.72586602 0.11093568
C -2.46175746 -1.82475002 -0.72407927
C -3.19741810 -0.68589326 -0.33233720
C 2.69959618 -2.42241607 1.23865812
C 1.90270805 -3.20075535 0.29031055
C 2.19153306 -1.95935412 2.46120147
C 0.55572514 -3.34445560 0.52107834
C -0.48119075 -3.25874091 -0.47338551
C 2.31975550 -2.85339493 -1.04630138
C 1.36369691 -2.75114533 -2.04609280
C -0.03562935 -2.97134723 -1.77073021
C -2.27075279 -0.16918860 -2.39945033
C -1.95721961 -1.53289830 -2.09148810
C -0.79931039 -2.07832599 -2.58840127
C -1.37704911 0.62209856 -3.09047764
C -1.70465268 2.41701001 -1.45264081
C -2.64957586 1.60765119 -0.74717711
C -2.97545926 0.35591624 -1.25600753
C -1.09488030 1.95642082 -2.62077335
C 1.04239905 2.95340632 -1.94291001
C 0.41315002 3.43701303 -0.73438084
C -0.91404924 3.15130775 -0.49043667
C 0.30413810 2.22300193 -2.85901142
C 2.16900327 0.65692639 -3.14506719
C 2.94318821 1.42991519 -2.19707592
C 2.39193641 2.55486875 -1.61049369
C 0.88944844 1.04821468 -3.47764540
C 0.12149838 -1.27583290 -3.37521178
C 1.46117285 -1.68668566 -3.02740287
C 2.46495792 -0.74474644 -2.92349498
C -0.15453739 0.05407478 -3.60930414
C -4.13773903 -1.50476539 1.76590870
C -3.38695882 -1.59704161 3.00738915
C -3.75242553 -0.91076225 4.09712103
C -4.89446404 0.00877918 4.05480874
C -5.34804582 0.61902072 5.19264482
C -6.33571248 1.62964057 5.14999686
C -6.81624536 2.26238589 6.32331202
C -7.75433974 3.25041672 6.24624226
C -8.25861939 3.65424843 4.99022766
C -7.81582600 3.05749665 3.84475174
C -6.84472293 2.02894296 3.89428935
C -6.36685385 1.38725182 2.72356529
C -5.42247582 0.40514575 2.77968212
C -4.99424865 -0.31714318 1.54886517
H -4.27384637 -2.40150507 1.17590097
H 0.20412030 -1.66800072 1.19151325
H -3.10703303 -0.87097528 4.96786858
H -4.93475362 0.33284739 6.15375558
H -6.42383311 1.94758274 7.28304132
H -8.11706043 3.72835528 7.14733086
H -8.99958843 4.44145817 4.94140998
H -8.20223010 3.36387156 2.88031616
H -6.76881898 1.69129589 1.76297048
H -5.73616145 -0.37608659 0.76300450
|
optimized_conformer_170.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.49394197 0.44592586 2.91792404
C 3.40825108 0.00796166 1.88470779
C 1.59949657 -0.44903283 3.47179545
C 3.38514763 -1.30322418 1.45127296
C 3.50010646 -1.60211659 0.03950770
C 3.54986023 1.08359129 0.92648815
C 3.66166151 0.80005692 -0.42090486
C 3.63646923 -0.57515086 -0.87429933
C -0.16940132 1.24589862 3.43021505
C 0.76960373 2.18327136 2.84999487
C 0.23656740 -0.03898530 3.73427123
C 2.07030834 1.79251645 2.59870551
C 2.72232540 2.18642347 1.36764385
C 0.05797090 2.98804427 1.87948450
C 0.67892576 3.36553828 0.70458379
C 2.04313551 2.95542331 0.44331052
C -1.86503974 -0.94569444 2.85711602
C -2.29007994 0.40130186 2.53895273
C -0.63156724 -1.15971008 3.44097140
C -1.46176949 1.47124296 2.81768720
C -1.32134389 2.54772539 1.85928287
C -3.01934247 0.35644769 1.28818121
C -2.88430925 1.38206417 0.37269686
C -2.01574217 2.50389929 0.66622814
C -0.24811215 -3.10207181 1.99532052
C -1.54105072 -2.87633051 1.38364591
C 0.19473398 -2.26303793 2.99938247
C -2.33059602 -1.82311062 1.80328600
C -3.04524725 -1.01888432 0.83341335
C -1.42648328 -3.17390301 -0.02875897
C -2.10546096 -2.40557201 -0.95472920
C -2.93645644 -1.30350485 -0.51458663
C 2.44629401 -2.23992115 2.03196851
C 1.98143791 -3.11809345 0.97969830
C 1.57361793 -1.82347725 3.01808075
C 0.66587418 -3.53953222 0.96080635
C -0.06227083 -3.58416475 -0.29009570
C 2.63214080 -2.72362273 -0.25160835
C 1.93909290 -2.76735769 -1.44556915
C 0.55996223 -3.20806094 -1.46482230
C -1.88046684 -0.66508034 -2.50886802
C -1.45408196 -2.01139522 -2.18751923
C -0.15256351 -2.40343502 -2.43574952
C -0.98356649 0.22804331 -3.06280542
C -1.82757426 2.02041721 -1.61858858
C -2.76973529 1.08402994 -1.03972591
C -2.79661739 -0.22628929 -1.47377682
C -0.95613129 1.60323247 -2.60486871
C 0.86669511 2.88303622 -1.58067596
C -0.04786458 3.31918386 -0.54703304
C -1.36419668 2.89875615 -0.56587005
C 0.42234444 2.04392146 -2.58481837
C 2.48283926 0.72532761 -2.44373796
C 2.94843131 1.60406931 -1.39109951
C 2.15896983 2.65623633 -0.96867842
C 1.24961803 0.94063708 -3.02725396
C 0.78677539 -1.46624101 -3.01553635
C 2.07964823 -1.69060108 -2.40371231
C 2.90859571 -0.62103255 -2.12483311
C 0.38144762 -0.18114278 -3.32109507
C -4.40395112 2.82767596 -3.51349354
C -5.44437240 2.61091325 -2.56224082
C -6.04852057 1.40095658 -2.46654889
C -5.67952917 0.32849293 -3.33657668
C -6.32079260 -0.90508753 -3.29835128
C -5.98986719 -1.92087426 -4.18744167
C -6.67126517 -3.17835861 -4.19175665
C -6.33352797 -4.15006435 -5.07349899
C -5.28932890 -3.93649221 -6.02192133
C -4.62314036 -2.75665151 -6.05226563
C -4.94763329 -1.70468426 -5.13799746
C -4.28935054 -0.48069793 -5.15896095
C -4.64151905 0.54704395 -4.29101988
C -4.00829020 1.82799738 -4.33831700
H -3.92498732 3.79743708 -3.56446007
H -5.74585817 3.42382845 -1.91363264
H -6.82907155 1.22720853 -1.73494462
H -7.10704403 -1.07166673 -2.57007828
H -7.46455655 -3.33588664 -3.47116868
H -6.85599146 -5.09790095 -5.06652920
H -5.03513756 -4.72690756 -6.71758538
H -3.83153242 -2.58827488 -6.77265146
H -3.49295174 -0.32007007 -5.87693788
H -3.20461260 1.98123938 -5.04913393
|
optimized_conformer_171.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.26329748 0.77313149 2.91250922
C 3.17471154 0.34732978 1.87178809
C 1.38300433 -0.13332243 3.46962096
C 3.16571540 -0.96351217 1.43699042
C 3.27503235 -1.25966311 0.02435466
C 3.29470497 1.42507814 0.91370186
C 3.39942742 1.14323381 -0.43422448
C 3.38963357 -0.23057072 -0.88915165
C -0.40930286 1.53881431 3.44065313
C 0.51464728 2.48765855 2.85533681
C 0.01579227 0.25924327 3.73934054
C 1.81944558 2.11468978 2.59740604
C 2.45799512 2.51799475 1.36196981
C -0.21390204 3.28316779 1.88964218
C 0.39453052 3.66849842 0.71110853
C 1.76216343 3.27700145 0.44154759
C -2.07928354 -0.67425247 2.87473864
C -2.52314075 0.66733299 2.56062096
C -0.83913354 -0.87226791 3.44966527
C -1.70848203 1.74827626 2.83653084
C -1.58740255 2.82597099 1.87819677
C -3.25787253 0.61413003 1.31473987
C -3.14370454 1.64233660 0.40024434
C -2.28862535 2.77375226 0.68910734
C -0.44126668 -2.80692577 2.00016191
C -1.74193453 -2.59959411 1.39841820
C -0.00157839 -1.96369736 3.00198152
C -2.54208897 -1.55729717 1.82487659
C -3.27113632 -0.76074657 0.85976054
C -1.63375408 -2.89631336 -0.01534297
C -2.32801318 -2.13549748 -0.93564506
C -3.16859375 -1.04355216 -0.48833374
C 2.24313299 -1.91304319 2.02214556
C 1.78218400 -2.79599899 0.97107424
C 1.37194064 -1.50731772 3.01376843
C 0.47131443 -3.23250593 0.95955524
C -0.26443068 -3.28755148 -0.28640614
C 2.42060469 -2.39270604 -0.26366728
C 1.72022380 -2.44445618 -1.45348592
C 0.34578503 -2.90067039 -1.46359543
C -2.13394474 -0.38809852 -2.48731230
C -1.68548867 -1.72821123 -2.16823012
C -0.38305569 -2.10168935 -2.42587354
C -1.25404599 0.51698134 -3.04826956
C -2.11309530 2.29773113 -1.59840692
C -3.03633696 1.34780297 -1.01354001
C -3.04853546 0.03629373 -1.44782403
C -1.24261900 1.89153100 -2.59128454
C 0.57233282 3.18795430 -1.57437912
C -0.34023395 3.61366963 -0.53500167
C -1.65077475 3.17824709 -0.54565600
C 0.13178552 2.34785727 -2.57849994
C 2.21091148 1.05641591 -2.45179903
C 2.67082298 1.93842565 -1.39975235
C 1.87132639 2.97956055 -0.97106209
C 0.97073039 1.25632933 -3.02767755
C 0.53956900 -1.15491286 -3.01490614
C 1.84010361 -1.36474149 -2.41236663
C 2.65523397 -0.28448773 -2.13620425
C 0.11549761 0.12446214 -3.31722808
C -0.52987666 -4.56093199 -4.72199689
C -0.48866451 -3.43086111 -5.59145476
C -1.55855569 -2.60521075 -5.69871793
C -2.75843959 -2.86538402 -4.96560605
C -3.88949041 -2.06590998 -5.09345865
C -5.06407891 -2.35520734 -4.40636322
C -6.26143645 -1.59480395 -4.59303876
C -7.39914737 -1.91163898 -3.92914343
C -7.42363963 -3.01381483 -3.02474334
C -6.31033624 -3.75855417 -2.81989385
C -5.09180473 -3.46408505 -3.50893378
C -3.95092803 -4.24497197 -3.35663768
C -2.79410601 -3.98883643 -4.08511630
C -1.63622607 -4.82073238 -3.98329577
H 0.33372241 -5.20886481 -4.65361602
H 0.40816026 -3.23614772 -6.16429420
H -1.52704651 -1.73302219 -6.34133818
H -3.86202813 -1.21161042 -5.76119429
H -6.24229990 -0.77213872 -5.29713702
H -8.30268579 -1.33795727 -4.09013740
H -8.34383414 -3.25517127 -2.50946645
H -6.32784677 -4.60918021 -2.14934262
H -3.97118212 -5.08605617 -2.67209564
H -1.66626412 -5.66322110 -3.30191125
|
optimized_conformer_172.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.43610141 0.78034154 2.72137481
C 3.34846101 0.35882834 1.68010900
C 1.56281535 -0.13037665 3.28323266
C 3.34528933 -0.95306628 1.24719758
C 3.45458987 -1.24925812 -0.16574360
C 3.46363739 1.43836786 0.72235931
C 3.56611763 1.15603440 -0.62616716
C 3.56207314 -0.21899220 -1.08008933
C -0.23671038 1.53119029 3.25413160
C 0.67985125 2.48534320 2.66726611
C 0.19446078 0.25450075 3.55618777
C 1.98622335 2.11990217 2.40748181
C 2.62171377 2.52737910 1.17202419
C -0.05498936 3.27580933 1.70322319
C 0.54964490 3.66386017 0.52379015
C 1.91909339 3.28139290 0.25201996
C -1.89854830 -0.69019236 2.69807782
C -2.35046599 0.64899114 2.38368795
C -0.65585893 -0.88207881 3.27073912
C -1.53833241 1.73315618 2.65398825
C -1.42561881 2.81090284 1.69497714
C -3.08904765 0.59158609 1.13896389
C -2.98092357 1.62002497 0.22241867
C -2.12957414 2.75505822 0.50784471
C -0.24977444 -2.81607072 1.82080157
C -1.55277476 -2.61348769 1.22109014
C 0.18726850 -1.96935183 2.82139207
C -2.35912200 -1.57608830 1.64897802
C -3.09350377 -0.78315737 0.68460867
C -1.44246496 -2.90537254 -0.19303534
C -2.14027296 -2.14849930 -1.11227454
C -2.98714436 -1.06404228 -0.66328111
C 2.42948036 -1.90734787 1.83599152
C 1.97146627 -2.79328435 0.78606962
C 1.55846193 -1.50531791 2.82972000
C 0.66322369 -3.23691466 0.77804078
C -0.07479543 -3.29375332 -0.46670332
C 2.60494591 -2.38606533 -0.45051944
C 1.90199126 -2.44024861 -1.63865704
C 0.53086007 -2.90592772 -1.64663933
C -1.96678348 -0.40751694 -2.67070477
C -1.51115915 -1.74558171 -2.35290304
C -0.20505573 -2.11377316 -2.61152160
C -1.08958253 0.50166469 -3.22916193
C -1.95511328 2.27973495 -1.77894307
C -2.87446351 1.32551759 -1.19193192
C -2.88017072 0.01410854 -1.62546850
C -1.08403251 1.87645384 -2.77204209
C 0.72497262 3.18623464 -1.76174407
C -0.18739450 3.60573914 -0.72047859
C -1.49593262 3.16300744 -0.72827733
C 0.28668098 2.34097111 -2.76292402
C 2.37267063 1.06139053 -2.64035344
C 2.83043569 1.94708880 -1.59055193
C 2.02691538 2.98519146 -1.16131217
C 1.13002562 1.25374343 -3.21237991
C 0.71205965 -1.16033066 -3.19917602
C 2.01404843 -1.36125524 -2.59784825
C 2.82515780 -0.27682570 -2.32510896
C 0.28063676 0.11710839 -3.49981017
C -5.44145150 -3.67040108 -0.30675933
C -4.54922280 -4.77141801 -0.47392135
C -3.91953751 -4.97461879 -1.65763122
C -4.12140205 -4.08435665 -2.76075756
C -3.46478612 -4.24431369 -3.97792489
C -3.68735062 -3.37461372 -5.04216929
C -3.06239154 -3.54673309 -6.31853791
C -3.33422370 -2.70368102 -7.34522537
C -4.24168758 -1.61726222 -7.17204468
C -4.83834168 -1.40925254 -5.97392815
C -4.58797600 -2.28093542 -4.86930933
C -5.22107170 -2.10362991 -3.64487096
C -5.02110755 -2.98821267 -2.59235960
C -5.67742660 -2.81797943 -1.33297546
H -5.92449066 -3.52033587 0.65112159
H -4.38307079 -5.44567075 0.35783982
H -3.24263848 -5.81141166 -1.78345667
H -2.76863344 -5.06741337 -4.10065990
H -2.37867404 -4.37610742 -6.45638746
H -2.86807147 -2.85192286 -8.31108292
H -4.45400812 -0.96354813 -8.00828055
H -5.53607156 -0.59213733 -5.83591332
H -5.89173732 -1.26149671 -3.51148706
H -6.36259738 -1.98600538 -1.21782866
|
optimized_conformer_173.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.18048161 0.52171854 2.96818091
C 3.19667494 0.28691512 1.96467921
C 1.34515589 -0.50598520 3.36230052
C 3.32908485 -0.96554534 1.39738439
C 3.55634783 -1.09366880 -0.02824478
C 3.28943161 1.47029532 1.13491803
C 3.51683443 1.35088614 -0.22208412
C 3.65277490 0.03730464 -0.81886215
C -0.57813222 1.02001093 3.37232942
C 0.30111655 2.09691794 2.96303139
C -0.06730275 -0.25105325 3.56278330
C 1.64503821 1.85049749 2.76012221
C 2.32856353 2.43392907 1.62604101
C -0.42639889 2.93791862 2.03708181
C 0.22277696 3.48339327 0.94579622
C 1.63294888 3.23077140 0.73816235
C -2.00692419 -1.22906811 2.43613935
C -2.54548507 0.09678112 2.24054917
C -0.80112048 -1.40316670 3.09292963
C -1.84305501 1.19745332 2.69990017
C -1.75293561 2.38467948 1.87666331
C -3.18897932 0.13813871 0.94839829
C -3.10637329 1.26145252 0.16404317
C -2.37569240 2.41601281 0.64550349
C -0.13599908 -3.13712809 1.49232416
C -1.40152884 -2.95150627 0.80641774
C 0.15671017 -2.37567734 2.60559783
C -2.31104265 -2.01504215 1.26181080
C -3.03566619 -1.18664896 0.33150997
C -1.16595802 -3.06471713 -0.60285493
C -1.85452247 -2.23634272 -1.49206521
C -2.81876328 -1.29971786 -1.01467842
C 2.45355607 -2.04192705 1.81042873
C 2.13921328 -2.83491976 0.64013699
C 1.48423946 -1.81874953 2.77062455
C 0.87704376 -3.37208269 0.48740668
C 0.22733058 -3.33028303 -0.81013469
C 2.81901854 -2.24442445 -0.49535118
C 2.19814323 -2.20705345 -1.73128518
C 0.86994929 -2.75509077 -1.89008579
C -1.90028849 -0.42134804 -3.12129119
C -1.19361760 -1.68016498 -2.62685848
C 0.13945871 -1.92711381 -2.81595075
C -0.88398281 0.68459007 -3.22977956
C -2.02640969 2.15385631 -1.65377106
C -2.86836081 1.14639615 -1.27202041
C -3.02401403 -0.15948672 -2.00721672
C -1.01385785 1.91848617 -2.65660725
C 0.60182631 3.25451225 -1.35857818
C -0.42557161 3.49249859 -0.34121771
C -1.68796615 2.97670562 -0.48769831
C 0.31708315 2.51009905 -2.47208001
C 2.48547407 1.39829591 -2.32274719
C 2.79341215 2.19008281 -1.15270506
C 1.86865998 3.10345562 -0.68269877
C 1.28041949 1.56745741 -2.97417405
C 1.03921596 -0.84610303 -3.24153371
C 2.29929096 -1.02912777 -2.56129532
C 3.01568365 0.06788858 -2.11513803
C 0.53537246 0.41503949 -3.43543057
C -3.47374032 0.55752505 -4.74643281
C -4.41434537 0.75742103 -3.83179289
C -4.43077355 -0.25771734 -2.71574189
C -4.47796870 -1.65101151 -3.29055391
C -5.21602762 -2.68874049 -2.81179214
C -5.02411350 -3.99859967 -3.32708142
C -5.67985395 -5.12316383 -2.76987137
C -5.44149890 -6.38076512 -3.24691001
C -4.56204821 -6.57348241 -4.33385847
C -3.91670739 -5.50694216 -4.89151197
C -4.10616873 -4.19762167 -4.38544017
C -3.34264417 -3.09559288 -4.85655233
C -3.50414650 -1.86404220 -4.29868052
C -2.61941436 -0.66080093 -4.50460456
H -3.29100703 1.21665751 -5.58370104
H -5.09990426 1.59365338 -3.84280090
H -5.21971575 -0.08689343 -1.98376923
H -5.92333582 -2.53784604 -2.00348240
H -6.35111678 -4.96968835 -1.93310610
H -5.91968427 -7.23634141 -2.78849570
H -4.39669658 -7.57130026 -4.71919646
H -3.23318471 -5.64981897 -5.72014184
H -2.59381540 -3.26681314 -5.62255291
H -1.86668153 -0.82638576 -5.27319951
|
optimized_conformer_174.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.22323726 0.73264666 2.81080025
C 3.12747821 0.30018503 1.76666934
C 1.34722026 -0.16951822 3.38283651
C 3.11502386 -1.01423122 1.34279477
C 3.21465433 -1.32168317 -0.06788914
C 3.23952665 1.37038603 0.79919465
C 3.33336021 1.07787517 -0.54771940
C 3.32175453 -0.29947905 -0.99105942
C -0.44508511 1.50231198 3.35221116
C 0.47351594 2.44719382 2.75359349
C -0.01794621 0.22532440 3.65964223
C 1.77595057 2.07096388 2.48785122
C 2.40444330 2.46532227 1.24459385
C -0.26235114 3.23512758 1.78733138
C 0.33645428 3.61132400 0.60094396
C 1.70141361 3.21726917 0.32339092
C -2.12027255 -0.71462699 2.82053112
C -2.56645243 0.62421486 2.49832253
C -0.87569332 -0.90830843 3.38817837
C -1.74826057 1.70658594 2.75669868
C -1.63554099 2.77702979 1.78983931
C -3.31127385 0.56156982 1.25911101
C -3.20451223 1.58281419 0.33532573
C -2.34790380 2.71684245 0.60779255
C -0.48782065 -2.85328522 1.95008276
C -1.79294281 -2.65109647 1.35603211
C -0.04087640 -2.00293758 2.94263361
C -2.58989116 -1.60494774 1.78042023
C -3.32757660 -0.81667981 0.81570232
C -1.69615006 -2.96009354 -0.05550059
C -2.40086766 -2.20818767 -0.97715076
C -3.23592527 -1.11106402 -0.53098889
C 2.19733967 -1.95933787 1.94376949
C 1.72914668 -2.85103189 0.90474505
C 1.33280295 -1.54695769 2.93940018
C 0.41755891 -3.28679022 0.90732599
C -0.32825955 -3.35283084 -0.33243616
C 2.35813427 -2.45695455 -0.33922866
C 1.64929114 -2.51842409 -1.52316280
C 0.27389098 -2.97305486 -1.51571646
C -2.21810062 -0.47205773 -2.54389256
C -1.76821429 -1.81008339 -2.21715931
C -0.46434719 -2.18261718 -2.47802841
C -1.34033241 0.42852385 -3.11735571
C -2.18865657 2.22163403 -1.67592246
C -3.10665510 1.27683464 -1.07627844
C -3.12259218 -0.03862558 -1.49913733
C -1.32610351 1.80627889 -2.67252748
C 0.49577790 3.11386760 -1.68174465
C -0.40858039 3.54762990 -0.63849012
C -1.71946658 3.11188001 -0.63489322
C 0.04738948 2.26407600 -2.67451462
C 2.12878055 0.97525364 -2.55423174
C 2.59670040 1.86527806 -1.51371434
C 1.79966758 2.91004185 -1.08773530
C 0.88418756 1.17106389 -3.12211857
C 0.45436922 -1.24118557 -3.08486146
C 1.76119009 -1.44654234 -2.49207179
C 2.57815370 -0.36373084 -2.23232538
C 0.02766161 0.03493718 -3.39543829
C 1.22582046 -5.26965190 -3.95026778
C 1.23413741 -4.29654457 -4.99279900
C 0.07456815 -3.74216129 -5.42343762
C -1.17432414 -4.10152071 -4.82759862
C -2.35946855 -3.46264702 -5.17089704
C -3.54889236 -3.74116538 -4.50548454
C -4.75294771 -3.01742322 -4.77276996
C -5.88700554 -3.27375753 -4.07634541
C -5.91230899 -4.30105194 -3.08742402
C -4.79636484 -5.02011836 -2.81493248
C -3.56594658 -4.74752323 -3.49225368
C -2.38344751 -5.40298671 -3.16573913
C -1.18384236 -5.08370461 -3.79243865
C 0.05854818 -5.65744164 -3.38049216
H 2.16420809 -5.68109056 -3.60196547
H 2.17692474 -3.99241049 -5.42917561
H 0.07383999 -2.99076194 -6.20397303
H -2.34115551 -2.69858144 -5.94100243
H -4.73202711 -2.24328071 -5.53046833
H -6.78428248 -2.69795640 -4.26272598
H -6.83335619 -4.50040001 -2.55451202
H -4.81532864 -5.80666842 -2.06958656
H -2.38916995 -6.15686316 -2.38572989
H 0.04758601 -6.38166498 -2.57495659
|
optimized_conformer_175.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.29852506 0.74344062 2.72724777
C 3.20912861 0.32034768 1.68486829
C 1.42191282 -0.16451034 3.28867872
C 3.20187299 -0.99094682 1.25114257
C 3.30756036 -1.28747108 -0.16198963
C 3.32391855 1.39845154 0.72596529
C 3.42493785 1.11649399 -0.62255384
C 3.41642968 -0.25787075 -1.07657661
C -0.37318965 1.50301041 3.26370262
C 0.54621460 2.45323827 2.67510349
C 0.05487873 0.22466519 3.56378570
C 1.85080861 2.08325826 2.41294867
C 2.48471915 2.48836764 1.17621247
C -0.18652430 3.24693498 1.71205731
C 0.41730114 3.63455287 0.53195844
C 1.78434062 3.24596036 0.25792615
C -2.04082310 -0.71263001 2.70652909
C -2.48847228 0.62807107 2.39335424
C -0.79902404 -0.90911009 3.27961559
C -1.67454203 1.71022292 2.66497761
C -1.55881005 2.78770883 1.70571483
C -3.22816196 0.57374453 1.14999667
C -3.11893061 1.60254431 0.23408835
C -2.26521707 2.73591508 0.51977028
C -0.39942355 -2.84359423 1.82823994
C -1.70167680 -2.63601324 1.22861163
C 0.04035335 -1.99858684 2.82854919
C -2.50466406 -1.59624247 1.65792860
C -3.23887337 -0.80085945 0.69535181
C -1.59456782 -2.92943129 -0.18445888
C -2.29129887 -2.17021164 -1.10163461
C -3.13545073 -1.08281798 -0.65329234
C 2.28331565 -1.94215213 1.84037967
C 1.82265440 -2.82775501 0.79120264
C 1.41299675 -1.53851770 2.83432893
C 0.51229150 -3.26644788 0.78431284
C -0.22612939 -3.32209901 -0.45958641
C 2.45417570 -2.42171412 -0.44623505
C 1.74923354 -2.47477418 -1.63440910
C 0.37769022 -2.93751176 -1.64087203
C -2.11152909 -0.42785576 -2.65875987
C -1.66056599 -1.76736734 -2.34402210
C -0.35817600 -2.14156229 -2.60710810
C -1.23393072 0.47966668 -3.22043594
C -2.09382886 2.25926694 -1.76789830
C -3.01374543 1.30820080 -1.17984012
C -3.02189877 -0.00385442 -1.61351749
C -1.22553229 1.85406613 -2.76365335
C 0.58856038 3.15548687 -1.75391742
C -0.32147717 3.57917727 -0.71137248
C -1.63148478 3.14153891 -0.71711317
C 0.14713468 2.31389977 -2.75649664
C 2.22918598 1.02657818 -2.63540154
C 2.69067503 1.90973492 -1.58570661
C 1.88965750 2.94916424 -1.15480469
C 0.98730683 1.22433428 -3.20784907
C 0.56097255 -1.19027769 -3.19592672
C 1.86302207 -1.39539533 -2.59393231
C 2.67688223 -0.31344202 -2.32013195
C 0.13396590 0.09000860 -3.49471445
C -4.46498297 -4.98363662 -0.70772972
C -3.31838312 -5.80195926 -0.48753036
C -2.36014138 -5.90929672 -1.44059892
C -2.47767948 -5.20805491 -2.68081455
C -1.47346163 -5.24437803 -3.64117273
C -1.57451338 -4.51481977 -4.82131910
C -0.51619279 -4.48076132 -5.78242585
C -0.61660988 -3.71989851 -6.89966675
C -1.79988268 -2.96636160 -7.15675461
C -2.83221019 -2.98499742 -6.27849466
C -2.74990519 -3.74261164 -5.06756252
C -3.75874911 -3.71458508 -4.11013573
C -3.63929991 -4.41355227 -2.91376074
C -4.62253320 -4.32137636 -1.87976340
H -5.20316594 -4.88298858 0.07732603
H -3.20932002 -6.32347237 0.45497065
H -1.47504209 -6.51167556 -1.27394626
H -0.58415012 -5.83617165 -3.45070930
H 0.37794856 -5.06057351 -5.58618565
H 0.20297052 -3.67512761 -7.60556279
H -1.86314087 -2.37381087 -8.06050252
H -3.73573772 -2.42010881 -6.47714393
H -4.64352324 -3.11205833 -4.28637720
H -5.48377445 -3.68620144 -2.04698918
|
optimized_conformer_176.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.33014088 0.66311846 2.81021249
C 3.23154004 0.22716653 1.76500941
C 1.45089304 -0.23665348 3.38159007
C 3.21260839 -1.08690194 1.33848961
C 3.30773418 -1.39300637 -0.07297200
C 3.34725559 1.29825698 0.79863345
C 3.43797318 1.00700221 -0.54886989
C 3.41868595 -0.36992924 -0.99444595
C -0.33475545 1.44295743 3.35525409
C 0.58744017 2.38458432 2.75661717
C 0.08781209 0.16354558 3.66067170
C 1.88832208 2.00403086 2.48936796
C 2.51769369 2.39665715 1.24612366
C -0.14591089 3.17637685 1.79200356
C 0.45339506 3.55198216 0.60530824
C 1.81636930 3.15231254 0.32634019
C -2.01900447 -0.76649403 2.82013802
C -2.46046056 0.57449053 2.50097121
C -0.77478113 -0.96592212 3.38645735
C -1.63753777 1.65337063 2.76071917
C -1.52066463 2.72425492 1.79489346
C -3.20686916 0.51646822 1.26258015
C -3.09586846 1.53881483 0.33980484
C -2.23369904 2.66869410 0.61288883
C -0.39634420 -2.91205814 1.94506509
C -1.70061223 -2.70280156 1.35297260
C 0.05444757 -2.06332125 2.93759688
C -2.49332146 -1.65405838 1.77965119
C -3.23053852 -0.86178999 0.81790044
C -1.60590323 -3.01126563 -0.05844082
C -2.30561684 -2.25269246 -0.97608988
C -3.13929145 -1.15462278 -0.52944381
C 2.29182161 -2.02917047 1.93835418
C 1.81871065 -2.91763841 0.89764587
C 1.43007783 -1.61345982 2.93486976
C 0.50580489 -3.34953390 0.90028118
C -0.24033672 -3.41161674 -0.33861566
C 2.44662559 -2.52434495 -0.34529596
C 1.73533274 -2.58095547 -1.52888106
C 0.36060486 -3.03609873 -1.52509656
C -2.11496465 -0.51539536 -2.53808002
C -1.67254446 -1.85558081 -2.21754783
C -0.37452154 -2.23997972 -2.48743539
C -1.23599533 0.38160400 -3.11294359
C -2.07855638 2.17666089 -1.67193787
C -3.00121593 1.23464598 -1.07256936
C -3.02062961 -0.08046293 -1.49609114
C -1.21766469 1.75945073 -2.66944745
C 0.60943219 3.05750112 -1.67824321
C -0.29244343 3.49419910 -0.63387897
C -1.60510593 3.06327978 -0.62996586
C 0.15767188 2.21159306 -2.67281692
C 2.23240748 0.91130082 -2.55481898
C 2.70462520 1.79886525 -1.51330096
C 1.91261330 2.84652826 -1.08503535
C 0.98874689 1.11383957 -3.12188794
C 0.54713314 -1.29893546 -3.09058245
C 1.85119952 -1.50873676 -2.49581664
C 2.67367520 -0.42947362 -2.23418443
C 0.12713136 -0.01764894 -3.39633697
C -3.33323532 -0.99407654 -5.77202003
C -4.46344316 -1.11040250 -4.91100369
C -4.62167063 -2.20748581 -4.13063493
C -3.66056484 -3.26509334 -4.15362513
C -3.74241060 -4.34681129 -3.28284471
C -2.75424086 -5.32368311 -3.24960385
C -2.77624609 -6.39013791 -2.29572248
C -1.77106603 -7.29777274 -2.24765283
C -0.69388141 -7.23496784 -3.18050632
C -0.64899993 -6.25430322 -4.11496218
C -1.66154852 -5.24432504 -4.16636458
C -1.59005437 -4.17237424 -5.04955062
C -2.54933210 -3.16546136 -5.04262982
C -2.41635263 -1.98996474 -5.84379809
H -3.20385607 -0.09375098 -6.35781916
H -5.18310602 -0.30320023 -4.86583480
H -5.46360332 -2.29244053 -3.45359554
H -4.57705669 -4.40443692 -2.59160729
H -3.60400570 -6.44148354 -1.59810335
H -1.77928366 -8.08105566 -1.50105205
H 0.09016000 -7.97996842 -3.13412923
H 0.16207276 -6.21175117 -4.83218514
H -0.74750998 -4.09720943 -5.72880749
H -1.54834142 -1.90229355 -6.48579665
|
optimized_conformer_177.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.22240968 0.65514853 2.73744467
C 3.12669325 0.22329649 1.69299519
C 1.34375617 -0.24596993 3.30910110
C 3.10980499 -1.09038325 1.26540521
C 3.20642140 -1.39198076 -0.14721776
C 3.24275102 1.29681143 0.72833209
C 3.33565560 1.01042428 -0.62022594
C 3.31774431 -0.36601737 -1.06707384
C -0.44346502 1.43087837 3.28176749
C 0.47786032 2.37195268 2.68290082
C -0.02014125 0.15227803 3.58879312
C 1.77989805 1.99532209 2.41724641
C 2.41052317 2.39291341 1.17648062
C -0.25548315 3.16717052 1.72259661
C 0.34456126 3.54833958 0.53825937
C 1.70853857 3.15149832 0.25904794
C -2.12822102 -0.77526113 2.74950743
C -2.57133389 0.56661226 2.43183728
C -0.88329181 -0.97701296 3.31587960
C -1.74748493 1.64455068 2.69113663
C -1.63124988 2.71820161 1.72751331
C -3.31830636 0.51198924 1.19303258
C -3.20774876 1.53683709 0.27205878
C -2.34507478 2.66652367 0.54631989
C -0.50360282 -2.91974822 1.87171557
C -1.80836322 -2.70768548 1.27847466
C -0.05225009 -2.07416369 2.86636005
C -2.60225840 -1.66006324 1.70693546
C -3.33798159 -0.86512972 0.74561713
C -1.71256584 -3.00883389 -0.13363366
C -2.41418517 -2.24978757 -1.05153336
C -3.24603296 -1.15343975 -0.60239272
C 2.18732613 -2.03369295 1.86401684
C 1.71324736 -2.91830695 0.82138294
C 1.32427483 -1.62253565 2.86250898
C 0.39973539 -3.35092671 0.82487156
C -0.34744812 -3.40429465 -0.41264416
C 2.34312044 -2.52232325 -0.42119233
C 1.63123360 -2.57413432 -1.60312584
C 0.25449504 -3.01961275 -1.59401069
C -2.22527261 -0.50827117 -2.61062603
C -1.78258031 -1.84809743 -2.28923554
C -0.48068956 -2.21992647 -2.54830896
C -1.34611793 0.39077960 -3.18403342
C -2.18785323 2.17837206 -1.73795682
C -3.11073167 1.23627414 -1.14086017
C -3.12992988 -0.07776796 -1.56677836
C -1.32670535 1.76603315 -2.73739553
C 0.50199271 3.06319094 -1.74597974
C -0.40147444 3.49468527 -0.70052459
C -1.71457435 3.06318617 -0.69562987
C 0.04904736 2.21980524 -2.74189232
C 2.12554115 0.91938358 -2.62422038
C 2.60001450 1.80483600 -1.58298545
C 1.80594172 2.85127767 -1.15329757
C 0.88148438 1.12457203 -3.19133134
C 0.44061541 -1.28224767 -3.15327908
C 1.74680853 -1.49870612 -2.56678191
C 2.57062764 -0.42198203 -2.30690878
C 0.01956017 -0.00589887 -3.46407619
C 3.11283507 -5.37777529 -3.41051185
C 3.12946693 -4.36610154 -4.41485312
C 1.97568537 -3.95774870 -4.99831934
C 0.71612880 -4.49179447 -4.58104542
C -0.48947279 -3.98949285 -5.06318865
C -1.70599279 -4.37353333 -4.50877936
C -2.93119569 -3.72047865 -4.85329513
C -4.07798085 -4.00086571 -4.18681316
C -4.09720404 -4.99887895 -3.16793865
C -2.96708831 -5.67402033 -2.84553701
C -1.72211925 -5.36221951 -3.47890476
C -0.52383955 -5.93776964 -3.06933976
C 0.69878107 -5.49517721 -3.56646780
C 1.94318107 -5.94210083 -3.02133863
H 4.04384823 -5.68669139 -2.95373497
H 4.07178405 -3.91633526 -4.69899980
H 1.98072892 -3.18835444 -5.76123994
H -0.47435257 -3.22044794 -5.82897412
H -2.91004387 -2.96295948 -5.62804956
H -4.98819813 -3.46297466 -4.41842323
H -5.02337950 -5.21015157 -2.64966352
H -2.97943946 -6.44239107 -2.08173309
H -0.53833491 -6.69972620 -2.29698136
H 1.92670915 -6.71548677 -2.26276012
|
optimized_conformer_178.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.21667670 0.67382492 2.72453364
C 3.12184954 0.24231723 1.68043645
C 1.33728478 -0.22741904 3.29466039
C 3.10663521 -1.07096817 1.25341313
C 3.20702041 -1.37346421 -0.15872373
C 3.23742139 1.31497613 0.71490985
C 3.33234971 1.02764826 -0.63340652
C 3.31706861 -0.34864138 -1.07998957
C -0.45215378 1.44773200 3.26480877
C 0.46953091 2.38874018 2.66613611
C -0.02783626 0.16981144 3.57184177
C 1.77246575 2.01309416 2.40288411
C 2.40448274 2.41049546 1.16223629
C -0.26328826 3.18001737 1.70209287
C 0.33890062 3.56022432 0.51872800
C 1.70395124 3.16629417 0.24190360
C -2.13327065 -0.76128521 2.72951365
C -2.57702458 0.57962158 2.41101273
C -0.88921354 -0.96040663 3.29795793
C -1.75566648 1.65881592 2.67149906
C -1.63885349 2.73044907 1.70526376
C -3.32089679 0.52312109 1.16985258
C -3.21054300 1.54666056 0.24745585
C -2.35030079 2.67728394 0.52257301
C -0.50574577 -2.90224979 1.85561568
C -1.81034856 -2.69348719 1.25965065
C -0.05606274 -2.05649289 2.85063890
C -2.60549578 -1.64667284 1.68602675
C -3.33960327 -0.85341490 0.72274568
C -1.71154379 -2.99302375 -0.15246351
C -2.41121860 -2.23720185 -1.07369318
C -3.24428431 -1.14215235 -0.62566176
C 2.18484972 -2.01528659 1.85155025
C 1.71338201 -2.90051532 0.80911910
C 1.31965427 -1.60379400 2.84812579
C 0.40003909 -3.33063859 0.81059383
C -0.34483924 -3.38247725 -0.42831233
C 2.34499376 -2.50344493 -0.43383083
C 1.63319530 -2.55224765 -1.61552709
C 0.25667633 -2.99640115 -1.60737320
C -2.22339246 -0.49898797 -2.63623184
C -1.77948123 -1.83708728 -2.31459616
C -0.47556094 -2.20802550 -2.57379229
C -1.34173056 0.40047730 -3.20750582
C -2.18777984 2.18805166 -1.76209627
C -3.11103895 1.24531124 -1.16527127
C -3.12903993 -0.06792347 -1.59130301
C -1.32528470 1.77663358 -2.76048399
C 0.50021893 3.07545602 -1.76518150
C -0.40502166 3.50573542 -0.72095257
C -1.71747732 3.07329013 -0.71857057
C 0.04993412 2.23213599 -2.76226541
C 2.12815453 0.93512324 -2.64158882
C 2.59940988 1.82081161 -1.59896888
C 1.80378899 2.86601814 -1.17067783
C 0.88438460 1.13757048 -3.21002605
C 0.44605329 -1.27145500 -3.17889000
C 1.75110354 -1.48265823 -2.58530077
C 2.57314259 -0.40566373 -2.32182867
C 0.02364635 0.00602992 -3.48659159
C -2.91401910 -6.28025303 -1.49193158
C -1.67953343 -6.69772843 -0.91132302
C -0.50875021 -6.49354653 -1.56391741
C -0.47994605 -5.79864541 -2.81407581
C 0.71621496 -5.42265847 -3.41596715
C 0.73509807 -4.58114454 -4.52435972
C 1.95368199 -4.03149439 -5.03315147
C 1.93780096 -3.11986780 -6.03669033
C 0.70560528 -2.73378534 -6.64198548
C -0.46718455 -3.26460262 -6.21599423
C -0.49944420 -4.18136670 -5.11865969
C -1.69597673 -4.62151309 -4.56120959
C -1.71454498 -5.37640228 -3.39292922
C -2.93286142 -5.66846271 -2.70113883
H -3.83744462 -6.44596216 -0.95196719
H -1.68524797 -7.17319467 0.06132747
H 0.43243570 -6.80358726 -1.12491476
H 1.65557261 -5.72565005 -2.96493378
H 2.88651615 -4.33263064 -4.57088937
H 2.86135411 -2.66960968 -6.37804874
H 0.71432737 -2.00863644 -7.44573680
H -1.40481187 -2.97989260 -6.67849339
H -2.63454921 -4.31380643 -5.01019766
H -3.86879280 -5.36037266 -3.15199740
|
optimized_conformer_179.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.17250423 0.62009996 2.46100220
C 3.07279655 0.18742151 1.41258451
C 1.29156253 -0.27918996 3.02728158
C 3.05153071 -1.12441281 0.98019549
C 3.14720038 -1.42508894 -0.43274038
C 3.18971418 1.26358142 0.45088623
C 3.27853977 0.97760349 -0.89791067
C 3.25711836 -0.39738707 -1.34936488
C -0.48946213 1.40231924 3.01585946
C 0.43462660 2.34636545 2.41788990
C -0.07190646 0.12084893 3.31211441
C 1.73451537 1.96594355 2.14766301
C 2.36235044 2.36181662 0.90499089
C -0.29948885 3.14387512 1.45804214
C 0.29899068 3.52281015 0.27152413
C 1.66060706 3.12268728 -0.01073229
C -2.18007018 -0.80356448 2.47325853
C -2.61805569 0.54072175 2.15865324
C -0.93646029 -1.00856955 3.03883227
C -1.79335364 1.61778256 2.42302195
C -1.67587151 2.69320427 1.46080657
C -3.36556964 0.48918963 0.91949364
C -3.25337972 1.51455797 0.00049701
C -2.38952164 2.64183935 0.27859261
C -0.55994481 -2.94697277 1.58544067
C -1.86402249 -2.73141125 0.99377472
C -0.10699339 -2.10702866 2.58425238
C -2.65477241 -1.68451063 1.42605216
C -3.38821920 -0.88606193 0.46707117
C -1.76980616 -3.03107657 -0.41940336
C -2.46883908 -2.26919615 -1.33573300
C -3.29725017 -1.17288815 -0.88147931
C 2.12999810 -2.06807392 1.57790015
C 1.65277348 -2.94945710 0.53289121
C 1.27063401 -1.65612697 2.57927204
C 0.33984137 -3.37912601 0.53607296
C -0.40792772 -3.43154945 -0.70248456
C 2.28224987 -2.55301578 -0.70914462
C 1.56844155 -2.60122534 -1.89089783
C 0.19270331 -3.05053511 -1.88674620
C -2.28247524 -0.52931407 -2.89203090
C -1.84132471 -1.87201951 -2.57839049
C -0.54145513 -2.25470225 -2.84768141
C -1.40054064 0.36981651 -3.45976346
C -2.23780443 2.15943710 -2.00974560
C -3.15996770 1.21565367 -1.41343930
C -3.18221740 -0.09712202 -1.84325242
C -1.37877754 1.74555918 -3.00956086
C 0.45151218 3.03697742 -2.01580737
C -0.44867632 3.46870198 -0.96721367
C -1.76198166 3.04034653 -0.96349167
C -0.00290508 2.19592780 -3.01318180
C 2.06972988 0.89280301 -2.90287766
C 2.54491091 1.77486487 -1.85778238
C 1.75497699 2.82168956 -1.42366421
C 0.82556580 1.09869267 -3.46688990
C 0.38097149 -1.31222157 -3.44512551
C 1.68488052 -1.52637689 -2.85332506
C 2.50921575 -0.45008767 -2.58777498
C -0.03825928 -0.03011995 -3.74272762
C -2.38894014 -2.80881031 6.59531110
C -1.22696954 -3.53123304 6.19345440
C -0.03884618 -2.89593053 6.03991894
C 0.07925587 -1.49124165 6.28565683
C 1.28316341 -0.80990273 6.14015581
C 1.36687130 0.56596626 6.33185294
C 2.58303948 1.29244505 6.13138753
C 2.63097549 2.63497246 6.32038551
C 1.46434149 3.35439306 6.71361030
C 0.28986166 2.70355348 6.89746393
C 0.19730443 1.28864083 6.71330285
C -1.00017482 0.60384161 6.88368681
C -1.08805851 -0.76665789 6.67326459
C -2.32126248 -1.47497004 6.82165725
H -3.32891580 -3.33322470 6.71396350
H -1.30435353 -4.59411975 6.00666211
H 0.84134038 -3.44057077 5.71924025
H 2.17212683 -1.36004410 5.84964157
H 3.46515356 0.75009682 5.81247530
H 3.55951238 3.17135182 6.17474279
H 1.51997739 4.42648432 6.85773771
H -0.60028729 3.24816096 7.18725662
H -1.88528661 1.15135108 7.18829977
H -3.20296961 -0.92331925 7.12344446
|
optimized_conformer_18.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 1.57372452 0.62697317 2.73696006
C 2.73940011 0.41772668 1.92208186
C 0.69957566 -0.41525586 3.07576090
C 2.99107152 -0.83364068 1.41384848
C 3.51023050 -0.97892376 0.06950758
C 2.96432156 1.58974917 1.10351448
C 3.40878737 1.45000806 -0.19649586
C 3.68937914 0.13442559 -0.72589441
C -1.17428007 1.24554780 2.90468466
C -0.25131865 2.26418102 2.47757989
C -0.67893996 -0.00834005 3.27367985
C 1.09450243 1.97338950 2.45667200
C 1.93275991 2.54282290 1.41820411
C -0.84340792 3.02452370 1.40382715
C -0.05938968 3.52756940 0.39537448
C 1.37259820 3.30709808 0.41278083
C -2.66730907 -2.33886066 1.87008554
C -2.96847715 0.12157910 1.47632908
C -1.48182453 -2.54840366 2.88710023
C -2.32641785 1.33625413 1.98668253
C -2.11645912 2.40309172 1.08544229
C -3.32490844 -0.08797360 0.04276202
C -3.13447955 1.03165985 -0.76460305
C -2.52440629 2.25332549 -0.24438505
C -0.18192320 -3.38902593 1.01421917
C -1.36052674 -3.28327770 0.13800327
C -0.13393233 -2.75065983 2.24730737
C -2.50984795 -2.47647576 0.53661939
C -3.00075032 -1.43611650 -0.43782932
C -0.91228452 -3.28856630 -1.18132295
C -1.51456854 -2.46566096 -2.14961451
C -2.54454350 -1.53423798 -1.75587106
C 2.09330570 -1.92775588 1.69546177
C 2.10719609 -2.78214983 0.53491295
C 0.94924261 -1.79722606 2.51129131
C 0.96551367 -3.45341597 0.16520997
C 0.53431375 -3.45169211 -1.20382295
C 2.94460331 -2.18015536 -0.48566158
C 2.54970569 -2.21061357 -1.80775990
C 1.29518008 -2.84991034 -2.17200034
C -1.26735783 -0.56959094 -3.47680021
C -0.71783819 -1.87360341 -3.17722598
C 0.66504476 -2.04812145 -3.19224908
C -0.43601723 0.48318499 -3.79003150
C -1.81794835 1.99971950 -2.45423058
C -2.67968527 0.88599403 -2.12397164
C -2.40058872 -0.36656595 -2.60769161
C -0.71647585 1.80327861 -3.25926640
C 0.64369003 3.23398858 -1.81119106
C -0.50999740 3.44868699 -0.97527936
C -1.71899653 2.83825757 -1.28562548
C 0.54341837 2.42664820 -2.92927896
C 2.71297067 1.40176749 -2.42997654
C 2.81275647 2.23807922 -1.25365025
C 1.80850450 3.13750708 -0.95299064
C 1.60264628 1.49492773 -3.25240595
C 1.53577556 -0.94390067 -3.49643094
C 2.70289619 -1.04015984 -2.63698945
C 3.26886354 0.10579798 -2.11059925
C 0.99865531 0.29851880 -3.78961450
C -1.83080017 -3.18443206 4.19386379
C -1.58275615 -1.06299716 2.87948682
C -3.03360749 -0.99367660 2.47917647
C -4.06399511 -0.97266834 3.56219749
C -5.14745135 -0.15509065 3.42602626
C -6.18307937 -0.10963410 4.38987031
C -7.33244466 0.69973666 4.22909639
C -8.31482512 0.70496712 5.17816233
C -8.18687714 -0.08831097 6.34030241
C -7.08430751 -0.87305350 6.52083870
C -6.05981707 -0.91206354 5.54166999
C -4.92502509 -1.74835805 5.66637758
C -3.94198979 -1.82477520 4.71036747
C -2.86743271 -2.81772332 4.94947612
H -1.18076769 -3.97781576 4.54488689
H -1.15494206 -0.94440529 1.83747756
H -1.88371246 -0.06816081 1.11529493
H -5.23549232 0.47398575 2.54704205
H -7.41906664 1.30892555 3.33758758
H -9.19563506 1.31978131 5.04552315
H -8.96954251 -0.07202342 7.08767464
H -6.98085613 -1.48065873 7.41240659
H -4.84873918 -2.37350949 6.54939994
H -2.99018678 -3.35042216 5.88637263
|
optimized_conformer_180.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.24370032 0.69273269 2.75420197
C 3.15753049 0.27294420 1.71330915
C 1.36660430 -0.21771843 3.30898258
C 3.15252127 -1.03678070 1.27433024
C 3.25962388 -1.32737600 -0.14054055
C 3.27469956 1.35479952 0.75878793
C 3.37859537 1.07968547 -0.59093115
C 3.37091805 -0.29378249 -1.05084776
C -0.42753184 1.45041432 3.29023486
C 0.49238351 2.40298000 2.70635672
C 0.00036664 0.17106745 3.58463815
C 1.79699506 2.03400624 2.44501643
C 2.43252872 2.44211079 1.21041232
C -0.23892372 3.20095448 1.74628968
C 0.36673511 3.59173841 0.56822557
C 1.73360393 3.20296733 0.29417431
C -2.09516342 -0.76476069 2.72416024
C -2.54237898 0.57741590 2.41439846
C -0.85346659 -0.96167749 3.29599129
C -1.72845547 1.65896633 2.69078726
C -1.61152842 2.74123486 1.73637719
C -3.27961522 0.52675710 1.16904624
C -3.16771420 1.55835896 0.25769842
C -2.31471285 2.69156006 0.54888412
C -0.45226082 -2.89191093 1.83818066
C -1.75355402 -2.68411622 1.23674967
C -0.01397881 -2.05082945 2.84236515
C -2.55586506 -1.64536120 1.66973133
C -3.28808066 -0.84679158 0.70897464
C -1.64451868 -2.97641745 -0.17778355
C -2.34367810 -2.21355616 -1.09438736
C -3.18458116 -1.12417234 -0.64055603
C 2.23091306 -1.98962639 1.85746124
C 1.77119397 -2.87178748 0.80628360
C 1.35848239 -1.59033079 2.85104670
C 0.46194760 -3.31321434 0.79606602
C -0.27513636 -3.36432687 -0.44982089
C 2.40641143 -2.46193008 -0.42987512
C 1.70239722 -2.50889975 -1.61681826
C 0.32900710 -2.96698848 -1.62515676
C -2.15496640 -0.45954545 -2.63822595
C -1.70776295 -1.80040609 -2.32754498
C -0.40351850 -2.16743216 -2.58461712
C -1.27751531 0.44933831 -3.19620827
C -2.14024797 2.22207319 -1.73939876
C -3.06081508 1.26904829 -1.15729080
C -3.06878884 -0.04092054 -1.59592930
C -1.27081144 1.82115598 -2.73544587
C 0.54089451 3.12152014 -1.72044533
C -0.37037355 3.54107747 -0.67666013
C -1.67961424 3.10189803 -0.68561669
C 0.10134499 2.28409093 -2.72714883
C 2.18495268 0.99640305 -2.60663646
C 2.64544052 1.87697821 -1.55303159
C 1.84183588 2.91371531 -1.12019770
C 0.94395633 1.19654481 -3.18058935
C 0.51695184 -1.21637748 -3.17266655
C 1.81842758 -1.42554002 -2.57202332
C 2.63517754 -0.34522828 -2.29762496
C 0.09146388 0.06248497 -3.47095937
C -1.77286248 -2.55850148 -6.50149133
C -3.00484164 -2.89669938 -5.86686761
C -3.03617909 -3.80909264 -4.86497168
C -1.83649293 -4.44480046 -4.41631523
C -1.82665762 -5.32290122 -3.33778660
C -0.63813075 -5.85803546 -2.85298207
C -0.60140942 -6.69092451 -1.69138226
C 0.57856033 -7.13884770 -1.19629378
C 1.80858213 -6.80044204 -1.83523651
C 1.81422105 -6.02864616 -2.94934660
C 0.59290324 -5.52127041 -3.49255318
C 0.58041225 -4.66942076 -4.59079450
C -0.60428462 -4.10791613 -5.05413667
C -0.61717471 -3.15169027 -6.11656654
H -1.76753549 -1.81904131 -7.29185688
H -3.91728731 -2.41313217 -6.19057305
H -3.96891462 -4.05947240 -4.37337870
H -2.75947484 -5.56322446 -2.83816506
H -1.53731731 -6.93789130 -1.20421933
H 0.59514007 -7.75788182 -0.30859591
H 2.74019559 -7.16520834 -1.42222497
H 2.74326549 -5.76002981 -3.43880674
H 1.51852483 -4.41152450 -5.07278710
H 0.32448237 -2.89715068 -6.58935571
|
optimized_conformer_181.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.24412381 0.73077205 2.80205944
C 3.14533416 0.29886869 1.75432329
C 1.36884814 -0.17031462 3.37681053
C 3.12965855 -1.01512214 1.32874792
C 3.22418249 -1.31890446 -0.08396210
C 3.25602991 1.37162250 0.78788298
C 3.34519294 1.08243982 -0.56011285
C 3.32979388 -0.29521576 -1.00560653
C -0.42205511 1.50147744 3.35371442
C 0.49581445 2.44407707 2.75066535
C 0.00451148 0.22442314 3.66036403
C 1.79756105 2.06982122 2.48220925
C 2.42290715 2.46669914 1.23825614
C -0.24222010 3.23666349 1.79081422
C 0.35328767 3.61692673 0.60426894
C 1.71723575 3.22217784 0.32205118
C -2.10150944 -0.71139208 2.82577694
C -2.54786816 0.62912327 2.50780040
C -0.85552229 -0.90843205 3.38885417
C -1.72811586 1.71025885 2.76543761
C -1.61673119 2.78289808 1.79919696
C -3.29643729 0.56949260 1.26984036
C -3.19035341 1.59195906 0.34750837
C -2.33131831 2.72517052 0.61896996
C -0.47399950 -2.85112595 1.94487995
C -1.78098931 -2.64454394 1.35583907
C -0.02264790 -2.00303346 2.93705203
C -2.57632785 -1.59938840 1.78543076
C -3.31421177 -0.80792977 0.82379244
C -1.68740659 -2.94942782 -0.05662597
C -2.39254253 -2.19608412 -0.97463398
C -3.22425260 -1.09976316 -0.52348068
C 2.21138989 -1.95989525 1.93061185
C 1.73908211 -2.84963446 0.89053913
C 1.35134142 -1.54723061 2.93002305
C 0.42730145 -3.28411706 0.89695296
C -0.32240509 -3.34430237 -0.34008489
C 2.36573796 -2.45374254 -0.35484581
C 1.65197454 -2.51127447 -1.53543759
C 0.27543886 -2.96332299 -1.52415212
C -2.21359939 -0.45871166 -2.53755564
C -1.76567420 -1.79884250 -2.21795011
C -0.46492997 -2.17217868 -2.48428645
C -1.33846182 0.44202414 -3.11214658
C -2.18067907 2.23298679 -1.66622328
C -3.09720629 1.28788698 -1.06480401
C -3.11375538 -0.02656386 -1.48936733
C -1.32172587 1.81906898 -2.66607009
C 0.50487254 3.12282160 -1.68061591
C -0.39579456 3.55604964 -0.63343913
C -1.70675178 3.12139125 -0.62570073
C 0.05255976 2.27572518 -2.67382125
C 2.13225095 0.98409966 -2.56281612
C 2.60476897 1.87265117 -1.52169307
C 1.81024756 2.91704173 -1.09030057
C 0.88629176 1.18181362 -3.12577076
C 0.45256119 -1.22916310 -3.08953020
C 1.76129680 -1.43710117 -2.50197482
C 2.58091795 -0.35655430 -2.24462037
C 0.02679342 0.04717721 -3.39609235
C 4.99902022 -5.07773376 -3.28697606
C 5.03066597 -4.09982039 -4.32624559
C 3.88591601 -3.70644907 -4.93609655
C 2.62315415 -4.25831090 -4.55127873
C 1.43205916 -3.85591469 -5.14577735
C 0.20609416 -4.36756574 -4.73248783
C -1.03208120 -3.92649943 -5.29891905
C -2.21519922 -4.39054014 -4.82990564
C -2.24976249 -5.33742095 -3.76377234
C -1.09871697 -5.79457314 -3.21388463
C 0.17270071 -5.33111304 -3.67925340
C 1.36639721 -5.75281075 -3.10289001
C 2.59075757 -5.23417331 -3.50998428
C 3.82235955 -5.62378300 -2.89416891
H 5.92582126 -5.37835071 -2.81346608
H 5.98037984 -3.67011929 -4.61957817
H 3.90364663 -2.95335069 -5.71549882
H 1.46253540 -3.11327137 -5.93619469
H -1.00649399 -3.19191228 -6.09475218
H -3.14754294 -4.03881776 -5.25312960
H -3.20632048 -5.68819888 -3.39680769
H -1.12332672 -6.50855326 -2.39938169
H 1.34126864 -6.48010802 -2.29787429
H 3.79226372 -6.36220721 -2.10113392
|
optimized_conformer_182.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.12810707 0.67458583 2.79492333
C 3.02686625 0.24933472 1.74226983
C 1.25172113 -0.22964702 3.36263143
C 3.00641381 -1.06115665 1.30517538
C 3.09529276 -1.35420611 -0.10996248
C 3.13798500 1.32951688 0.78471530
C 3.22325216 1.05019491 -0.56571531
C 3.20251648 -0.32349098 -1.02301433
C -0.53393675 1.44674199 3.35778090
C 0.38476919 2.39527754 2.76420264
C -0.11075702 0.16580656 3.65234395
C 1.68445229 2.01819319 2.48854371
C 2.30700183 2.42216521 1.24533655
C -0.35366233 3.19587011 1.80998294
C 0.23921543 3.58247967 0.62422351
C 1.60134692 3.18595871 0.33617323
C -2.22014676 -0.75956952 2.81399684
C -2.66287515 0.58388807 2.50614916
C -0.97372408 -0.96322080 3.37356349
C -1.83877070 1.66023777 2.76990285
C -1.72790169 2.74094132 1.81401666
C -3.41604015 0.53637479 1.27090716
C -3.31006251 1.56687468 0.35719078
C -2.44736398 2.69596841 0.63626889
C -0.59819025 -2.89603512 1.91345073
C -1.90600591 -2.68199802 1.32877937
C -0.14391148 -2.05634705 2.91201713
C -2.69824337 -1.63839022 1.76755219
C -3.43705846 -0.83749987 0.81406614
C -1.81743024 -2.97630599 -0.08616923
C -2.52198079 -2.21226549 -0.99628932
C -3.35081983 -1.11798631 -0.53585891
C 2.08777757 -2.00880600 1.90101622
C 1.61071930 -2.88993657 0.85494936
C 1.23068278 -1.60274445 2.90514546
C 0.29910323 -3.32445746 0.86033177
C -0.45403927 -3.37495912 -0.37664246
C 2.23336806 -2.48505935 -0.38823775
C 1.51465389 -2.52982118 -1.56575032
C 0.14019236 -2.98901393 -1.56167281
C -2.34259000 -0.46222542 -2.54695735
C -1.89863678 -1.80735392 -2.24047085
C -0.60010018 -2.18558163 -2.51519507
C -1.46608343 0.44198135 -3.11521058
C -2.30031154 2.22155249 -1.65240298
C -3.21846876 1.27380174 -1.05749275
C -3.23940025 -0.03701268 -1.49335385
C -1.44466761 1.81553773 -2.65772533
C 0.38624374 3.10795215 -1.66527586
C -0.51230532 3.53357623 -0.61275653
C -1.82428793 3.10146819 -0.60605611
C -0.06942188 2.26939720 -2.66414037
C 2.00610852 0.97095650 -2.56684408
C 2.48278218 1.84982473 -1.51916742
C 1.69214558 2.89319996 -1.07868301
C 0.75970531 1.17596822 -3.12545261
C 0.31834371 -1.23436379 -3.10879253
C 1.62400314 -1.44715295 -2.52190612
C 2.44844397 -0.37260954 -2.25903646
C -0.10339968 0.04616318 -3.40341443
C -0.56595219 -7.30042212 -2.74519531
C 0.60455964 -7.53033452 -1.96182846
C 1.71808170 -6.78048690 -2.15075918
C 1.74609683 -5.74326238 -3.13594157
C 2.86952882 -4.94887826 -3.34033209
C 2.86660029 -3.91380344 -4.27064377
C 3.99357848 -3.05165929 -4.45615288
C 3.94621873 -2.02374189 -5.33813569
C 2.77027845 -1.78371770 -6.10775399
C 1.68306822 -2.57978852 -5.96462378
C 1.68823060 -3.67236361 -5.04023566
C 0.57204152 -4.48056675 -4.85023419
C 0.57204556 -5.50788123 -3.91298642
C -0.58105080 -6.32361076 -3.68462752
H -1.44381624 -7.91320121 -2.57992227
H 0.59265247 -8.30895257 -1.20940324
H 2.60346726 -6.94217511 -1.54688795
H 3.75736443 -5.12818129 -2.74320189
H 4.88085378 -3.22046473 -3.85823506
H 4.79956990 -1.36883143 -5.46129424
H 2.75337921 -0.95707583 -6.80710889
H 0.78518137 -2.39402847 -6.54155156
H -0.32380351 -4.29926134 -5.43535851
H -1.46937801 -6.13917352 -4.27805894
|
optimized_conformer_183.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.15723174 0.72449190 2.72579629
C 3.05495793 0.27943387 1.68095156
C 1.27129704 -0.16580941 3.30030534
C 3.02482130 -1.03549086 1.25779759
C 3.11649842 -1.34391223 -0.15434538
C 3.18031125 1.34845179 0.71349807
C 3.26758291 1.05493763 -0.63397136
C 3.23588271 -0.32280925 -1.07776765
C -0.49865456 1.53055672 3.27369859
C 0.43063299 2.46275573 2.67295126
C -0.08740375 0.24771339 3.58025399
C 1.72731457 2.06851654 2.40414243
C 2.35973542 2.45390586 1.16063064
C -0.29695680 3.26186463 1.70989685
C 0.30521196 3.62862781 0.52188865
C 1.66385982 3.21495096 0.24158609
C -2.20251874 -0.66388252 2.74384733
C -2.63188706 0.68031073 2.42349731
C -0.96042238 -0.87461546 3.31042995
C -1.80064699 1.75297419 2.68199037
C -1.67657294 2.82337298 1.71549485
C -3.37935781 0.62752773 1.18533256
C -3.26055951 1.64783534 0.26181569
C -2.39003019 2.77170607 0.53341105
C -0.60120545 -2.82649233 1.87221937
C -1.90389497 -2.60412424 1.27947930
C -0.14104807 -1.98157213 2.86435720
C -2.68581071 -1.54737882 1.70405792
C -3.41444565 -0.74966334 0.74113745
C -1.81256551 -2.91162388 -0.13232531
C -2.50624838 -2.15002112 -1.05393335
C -3.32580786 -1.04406404 -0.60618789
C 2.09579946 -1.96905023 1.86062693
C 1.61264463 -2.85402102 0.82175751
C 1.23809842 -1.54389765 2.85790053
C 0.29578838 -3.27190963 0.82689695
C -0.45321402 -3.32227721 -0.41313170
C 2.24136133 -2.46527157 -0.42523180
C 1.52773670 -2.51317996 -1.60634541
C 0.14703081 -2.95050391 -1.59954196
C -2.30525356 -0.41889467 -2.61997661
C -1.87654132 -1.76497323 -2.30076240
C -0.57952051 -2.15680431 -2.56911278
C -1.41626621 0.46941958 -3.19384606
C -2.23962056 2.27284778 -1.75069276
C -3.16849789 1.34081324 -1.14976058
C -3.20056014 0.02609754 -1.57327995
C -1.38419709 1.84625935 -2.74874993
C 0.45515741 3.12933434 -1.76149803
C -0.44190217 3.57606941 -0.71680533
C -1.75826906 3.15769852 -0.71076795
C -0.00535801 2.28602898 -2.75422804
C 2.05775010 0.96794199 -2.63816546
C 2.53908421 1.85206323 -1.59797604
C 1.75647608 2.90707715 -1.16955603
C 0.81523583 1.18136559 -3.20361616
C 0.35284003 -1.22668015 -3.17599480
C 1.65546807 -1.44778265 -2.57908376
C 2.48908633 -0.37711497 -2.31846142
C -0.05668521 0.05793326 -3.47831074
C 0.67367129 -3.27609574 -7.11245465
C -0.57218531 -3.82723363 -6.69096401
C -0.64524284 -4.58488874 -5.56985395
C 0.51393157 -4.80886783 -4.76243631
C 0.44710993 -5.50100912 -3.55811751
C 1.55139568 -5.59774631 -2.71970024
C 1.45014451 -6.16722368 -1.41241618
C 2.50239295 -6.13576826 -0.55932415
C 3.74260446 -5.55766777 -0.96322726
C 3.88482358 -5.02957520 -2.20313456
C 2.79069424 -5.01783999 -3.12305745
C 2.87481592 -4.38335608 -4.35763587
C 1.75927445 -4.24643389 -5.17737832
C 1.80183161 -3.49763237 -6.39538685
H 0.70909993 -2.67439158 -8.01115594
H -1.46200085 -3.62884086 -7.27369859
H -1.58875939 -5.01159870 -5.25011111
H -0.50015279 -5.91920911 -3.23256165
H 0.49861707 -6.58745148 -1.10879614
H 2.40457277 -6.54079136 0.43953415
H 4.56422597 -5.52620938 -0.26009242
H 4.81520477 -4.56490408 -2.50526753
H 3.81835219 -3.94233357 -4.66079280
H 2.75202596 -3.08928494 -6.71870716
|
optimized_conformer_184.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.19553001 0.71350200 2.78582661
C 3.11402107 0.29381509 1.75266374
C 1.32524686 -0.20270403 3.35759245
C 3.11648143 -1.01540815 1.32705477
C 3.21754597 -1.30689634 -0.08438477
C 3.21911787 1.37690129 0.78265736
C 3.32218096 1.09478181 -0.56094354
C 3.31846850 -0.28070566 -1.00397297
C -0.48091360 1.45555623 3.32446000
C 0.42888705 2.40637256 2.72782920
C -0.04548865 0.18174563 3.63120310
C 1.74043569 2.04673124 2.46736992
C 2.36569404 2.45347088 1.22943970
C -0.30904684 3.19669974 1.76877805
C 0.28799727 3.58794390 0.58710938
C 1.65919157 3.21134927 0.30811025
C -2.12971869 -0.77438331 2.78538580
C -2.58996502 0.56113349 2.46171195
C -0.89108058 -0.95845218 3.35483263
C -1.78579400 1.65160424 2.72593095
C -1.67946321 2.72714648 1.76425872
C -3.31824404 0.48772007 1.21489123
C -3.21769277 1.52067784 0.29043667
C -2.38407444 2.66821567 0.57901163
C -0.48013371 -2.90140654 1.91105739
C -1.77710383 -2.71914025 1.32439914
C -0.04159248 -2.04559129 2.89971022
C -2.58108507 -1.67201596 1.73790525
C -3.31153500 -0.88327092 0.77762241
C -1.65140092 -3.03191271 -0.08879595
C -2.35585387 -2.24120247 -0.99437919
C -3.19105990 -1.17552635 -0.57753809
C 2.20338987 -1.98361797 1.91167011
C 1.74738707 -2.85193525 0.87343985
C 1.31949863 -1.56773015 2.90321637
C 0.42534614 -3.33203191 0.84629712
C -0.30660516 -3.43480374 -0.36458902
C 2.37323306 -2.43022415 -0.36241224
C 1.65259349 -2.46458677 -1.53427819
C 0.33892695 -3.21434632 -1.72270335
C -2.18546923 -0.48213038 -2.56916425
C -1.70005032 -1.81280649 -2.22258190
C -0.43202132 -2.14671090 -2.45483937
C -1.31786641 0.42473610 -3.17380326
C -2.20096366 2.18679343 -1.70859719
C -3.10056758 1.22983732 -1.11198071
C -3.08591771 -0.09187453 -1.54640388
C -1.33503824 1.80464874 -2.71372182
C 0.46393735 3.10736415 -1.70147647
C -0.45207660 3.52790628 -0.65378851
C -1.75359578 3.08080512 -0.65837667
C 0.02588159 2.26526420 -2.70362870
C 2.11925182 0.99066983 -2.55957770
C 2.57745858 1.87446258 -1.53754847
C 1.75864734 2.90991387 -1.09659902
C 0.86106218 1.16055099 -3.16174352
C 0.50160366 -1.38214337 -3.35074713
C 1.75307237 -1.42451560 -2.47151734
C 2.57195265 -0.34518782 -2.22568237
C 0.02842517 0.05265699 -3.46790650
C 6.70858385 -4.19177060 -3.33582367
C 6.74676847 -3.13169057 -4.26841169
C 5.59218903 -2.68049613 -4.84096392
C 4.34482508 -3.24180892 -4.48236920
C 3.12841187 -2.69433035 -4.95718092
C 1.93923597 -3.10895353 -4.44597573
C 0.66790017 -2.32867607 -4.65804366
C -0.46825915 -3.32383862 -4.75921363
C -0.51671353 -4.32952595 -3.88616313
C 0.55063347 -4.40533272 -2.81725670
C 1.88828014 -4.16347246 -3.48955292
C 3.04131469 -4.76466134 -3.08442152
C 4.30194151 -4.29266055 -3.53734637
C 5.51797958 -4.76638423 -2.98915777
H 7.62841128 -4.53706629 -2.88184236
H 7.69303669 -2.66942307 -4.51861249
H 5.60548849 -1.85745935 -5.54629896
H 3.15874148 -1.86437906 -5.65680080
H 0.73797355 -1.69550205 -5.54101427
H -1.22568630 -3.19520222 -5.52192695
H -1.31568358 -5.05980446 -3.89864334
H 0.54786896 -5.35902177 -2.29305930
H 3.01190285 -5.54578016 -2.33126177
H 5.48206109 -5.56745759 -2.25935380
|
optimized_conformer_185.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.01949558 0.63648062 2.89030329
C 2.93183532 0.21680642 1.84723789
C 1.14300209 -0.27368303 3.44836451
C 2.92439962 -1.09371898 1.40910423
C 3.03326590 -1.38762880 -0.00440084
C 3.04785992 1.29830551 0.89182604
C 3.15126187 1.02064737 -0.45769053
C 3.14166755 -0.35378506 -0.91449091
C -0.65308031 1.39396426 3.42521854
C 0.26659495 2.34744779 2.84149352
C -0.22447494 0.11475661 3.72212188
C 1.57162282 1.97788752 2.57960650
C 2.20670666 2.38692649 1.34416679
C -0.46605506 3.14381454 1.87972429
C 0.13819547 3.53425882 0.70041381
C 1.50644705 3.14691371 0.42730940
C -2.31858680 -0.82169230 2.86113486
C -2.76693290 0.51913052 2.55062850
C -1.07694278 -1.01880428 3.43314921
C -1.95360484 1.60119015 2.82493354
C -1.83805604 2.68226022 1.86951638
C -3.50313414 0.46739177 1.30571095
C -3.39405144 1.49827308 0.39306380
C -2.54286040 2.63273615 0.68245354
C -0.67516893 -2.94826214 1.97602964
C -1.97663605 -2.74048971 1.37695230
C -0.23653683 -2.10733020 2.98041870
C -2.77887259 -1.70192578 1.80849354
C -3.51124371 -0.90546241 0.84773797
C -1.87017490 -3.03343366 -0.03650230
C -2.56960956 -2.27417778 -0.95425235
C -3.40898788 -1.18539022 -0.50119367
C 2.00625431 -2.04769464 1.99490878
C 1.54631369 -2.93114400 0.94331942
C 1.13547796 -1.64689997 2.98977951
C 0.23587285 -3.36999111 0.93314184
C -0.50249403 -3.42378214 -0.31127574
C 2.18057006 -2.52386471 -0.29295874
C 1.47659405 -2.57360146 -1.48090294
C 0.10360103 -3.03448342 -1.48984177
C -2.38382469 -0.52493180 -2.50151266
C -1.93624445 -1.86675781 -2.19135285
C -0.63099660 -2.23710887 -2.45199545
C -1.50732240 0.38524694 -3.06072621
C -2.36835317 2.15981805 -1.60527409
C -3.28686038 1.20615791 -1.02074387
C -3.29479480 -0.10449617 -1.45742217
C -1.49993234 1.75915282 -2.60205553
C 0.31334600 3.06076797 -1.58683956
C -0.59937981 3.48156834 -0.54479934
C -1.90907260 3.04212105 -0.55318701
C -0.12719275 2.22062620 -2.59182684
C 1.95400755 0.93492864 -2.47100464
C 2.41773536 1.81769339 -1.42041062
C 1.61503912 2.85548117 -0.98728747
C 0.71360855 1.13352314 -3.04567983
C 0.28710130 -1.28205719 -3.03682878
C 1.58726970 -1.48612229 -2.43140518
C 2.39816097 -0.40545511 -2.15500666
C -0.13960086 -0.00212661 -3.33479394
C 2.27107736 -7.05247517 -4.22851337
C 3.29774241 -7.14400462 -3.24293681
C 4.01103625 -6.04546289 -2.89388075
C 3.76764906 -4.78269364 -3.51974588
C 4.53368019 -3.65785698 -3.23141778
C 4.33583853 -2.45709790 -3.90227038
C 5.14546982 -1.30625776 -3.64728384
C 4.94003540 -0.15062659 -4.32510449
C 3.89263013 -0.05297380 -5.28956568
C 3.09335221 -1.11629061 -5.54739226
C 3.29533483 -2.36229144 -4.87542090
C 2.51121740 -3.47745515 -5.14420899
C 2.73694861 -4.69116912 -4.50279697
C 1.99491663 -5.86898954 -4.82898444
H 1.71141444 -7.93991621 -4.49309849
H 3.50265299 -8.10008842 -2.77717846
H 4.79756312 -6.11148705 -2.15177797
H 5.31578744 -3.72311538 -2.48286651
H 5.92792615 -1.37964600 -2.90059543
H 5.56368682 0.71329100 -4.13208971
H 3.73567736 0.88368907 -5.80893724
H 2.28384428 -1.04193555 -6.26403628
H 1.72104832 -3.40405987 -5.88412675
H 1.21949464 -5.79803653 -5.58288328
|
optimized_conformer_186.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.03763600 0.84068277 2.73141916
C 2.95164516 0.42114862 1.68932861
C 1.16976355 -0.07250153 3.29663639
C 2.95599768 -0.89167695 1.26022207
C 3.06037865 -1.19091230 -0.15346402
C 3.05559944 1.49705287 0.72603646
C 3.15743799 1.21156585 -0.62211688
C 3.16225939 -0.16499939 -1.07259486
C -0.64072030 1.57946199 3.26586873
C 0.26997946 2.53564873 2.67388756
C -0.20049545 0.30616238 3.56976903
C 1.57742823 2.17534001 2.41213909
C 2.20660685 2.58098822 1.17287203
C -0.47059624 3.32145052 1.70951030
C 0.12889737 3.70904436 0.52701347
C 1.49919961 3.33015262 0.25291365
C -2.28829709 -0.65254340 2.71899389
C -2.74849219 0.68256647 2.40086762
C -1.04419210 -0.83608132 3.29013765
C -1.94461566 1.77338889 2.66777817
C -1.83999262 2.85023239 1.70543973
C -3.48725711 0.61706777 1.15785547
C -3.38958071 1.64384885 0.23943434
C -2.54661756 2.78715098 0.52018471
C -0.62973097 -2.77102283 1.84483447
C -1.93464815 -2.57836860 1.24690664
C -0.19545992 -1.92071829 2.84369933
C -2.74385637 -1.54323909 1.67291551
C -3.48388967 -0.75827573 0.70816645
C -1.82887140 -2.88026545 -0.16559654
C -2.53444430 -2.13038914 -1.08678689
C -3.38193251 -1.04532747 -0.63886534
C 2.04533123 -1.84933526 1.85388929
C 1.58765350 -2.73975362 0.80724107
C 1.17300942 -1.44914979 2.84786818
C 0.28265929 -3.19218028 0.80304140
C -0.45826105 -3.25970345 -0.44063184
C 2.21269405 -2.32997757 -0.43125781
C 1.50880324 -2.39252831 -1.61531596
C 0.14180219 -2.86926905 -1.62175598
C -2.36635322 -0.38777776 -2.64338991
C -1.90623303 -1.72421304 -2.32675784
C -0.59931998 -2.08657309 -2.58955472
C -1.49735075 0.52438748 -3.20874786
C -2.37196863 2.30102933 -1.76485557
C -3.28177591 1.34421147 -1.17247123
C -3.27889772 0.03101656 -1.60091176
C -1.50090858 1.90040723 -2.75931104
C 0.30245919 3.22186096 -1.75737233
C -0.61092895 3.64204270 -0.71610384
C -1.91719270 3.19280169 -0.71914412
C -0.13241479 2.37216923 -2.75565893
C 1.96148614 1.10416007 -2.63441981
C 2.41597174 1.99580079 -1.58731507
C 1.60620384 3.02957353 -1.15895915
C 0.71667109 1.28863833 -3.20454875
C 0.31239554 -1.12927699 -3.18379432
C 1.61636927 -1.32112569 -2.58412893
C 2.42251934 -0.23142321 -2.31720468
C -0.12703634 0.14583560 -3.48498268
C 3.40303799 -2.68504785 -7.31314461
C 2.30497580 -3.59452954 -7.32923155
C 1.96757862 -4.28495132 -6.21298894
C 2.70863076 -4.12678050 -4.99984800
C 2.42476052 -4.87173978 -3.85921856
C 3.19434790 -4.75418549 -2.70771458
C 2.94564790 -5.55156495 -1.54697409
C 3.72305788 -5.42927533 -0.44387642
C 4.78991729 -4.48261860 -0.41029142
C 5.04377982 -3.69367406 -1.48271346
C 4.26719609 -3.81210873 -2.67756313
C 4.53270271 -3.04655326 -3.80768036
C 3.79455373 -3.20075420 -4.97742586
C 4.11371287 -2.48776073 -6.17597995
H 3.66574663 -2.15494656 -8.21958919
H 1.74511533 -3.73201488 -8.24482489
H 1.14100411 -4.98542989 -6.22416067
H 1.60042533 -5.57661658 -3.87593703
H 2.12006599 -6.25353280 -1.57121174
H 3.53244036 -6.04356346 0.42641171
H 5.39260913 -4.39593481 0.48403050
H 5.84005901 -2.95913462 -1.45732860
H 5.34485372 -2.32730908 -3.78267836
H 4.95550800 -1.80522946 -6.16142506
|
optimized_conformer_187.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.09619980 0.81825668 3.05425297
C 3.01696139 0.37391580 2.02880821
C 1.22196927 -0.07999829 3.63348206
C 3.01988963 -0.94827610 1.62810632
C 3.13934651 -1.28117793 0.22392539
C 3.13035762 1.42677467 1.04266395
C 3.24307772 1.11063048 -0.29799720
C 3.24903608 -0.27571822 -0.71740147
C -0.58416325 1.57557896 3.55606640
C 0.33301788 2.51630820 2.94891806
C -0.14885922 0.30770585 3.89003695
C 1.64132368 2.14661904 2.70317104
C 2.27978903 2.52203719 1.45923758
C -0.39836498 3.27937253 1.95962615
C 0.20980163 3.63871686 0.77241560
C 1.58097713 3.25104395 0.51709500
C -2.23281888 -0.66640705 3.04647225
C -2.68828844 0.66254868 2.69600190
C -0.99325862 -0.83884851 3.63018562
C -1.88281650 1.75737279 2.94283707
C -1.76823672 2.81075857 1.95588450
C -3.41873793 0.57001414 1.44928293
C -3.31157966 1.57503700 0.50739072
C -2.46726672 2.72256813 0.76754969
C -0.57207051 -2.80793796 2.23197716
C -1.87175355 -2.62565441 1.62031868
C -0.14400658 -1.93498780 3.21353609
C -2.68241847 -1.57965159 2.01698229
C -3.41533815 -0.81577022 1.03007706
C -1.75661450 -2.95839768 0.21589051
C -2.45648430 -2.23006305 -0.72660572
C -3.30594472 -1.13410152 -0.30975668
C 2.10307973 -1.88968966 2.23657028
C 1.65408241 -2.80498783 1.20800603
C 1.22502853 -1.46592322 3.21543922
C 0.34717181 -3.25327823 1.20516208
C -0.38487392 -3.34663935 -0.04105087
C 2.29493493 -2.43032538 -0.03638682
C 1.59711839 -2.51693020 -1.22545397
C 0.22554225 -2.98516473 -1.22714942
C -2.27400645 -0.52305840 -2.32351918
C -1.81761830 -1.85086813 -1.96964430
C -0.50838542 -2.21759871 -2.21227939
C -1.39801213 0.37473310 -2.90356205
C -2.27647536 2.18412625 -1.50459878
C -3.19342186 1.24297924 -0.89709548
C -3.19199590 -0.07953624 -1.29604452
C -1.40035392 1.76069903 -2.48522795
C 0.39966687 3.10126453 -1.50026768
C -0.52074857 3.54574107 -0.47451217
C -1.82802713 3.09903578 -0.47619565
C -0.02999601 2.23081816 -2.48343822
C 2.06136101 0.96084164 -2.31760772
C 2.50859312 1.87350247 -1.28578856
C 1.69821871 2.91921781 -0.88743545
C 0.82072671 1.13614652 -2.90072344
C 0.40730807 -1.27567995 -2.81898254
C 1.70867277 -1.45943506 -2.21024304
C 2.51781717 -0.36853509 -1.96535297
C -0.02580229 -0.01080580 -3.15879313
C 7.85241614 -2.58755376 -3.19528492
C 8.01649284 -1.41332446 -3.98907979
C 6.96591143 -0.88960909 -4.66703067
C 5.68129288 -1.52138825 -4.63170714
C 4.59116852 -1.02558606 -5.33930941
C 3.37495278 -1.70095367 -5.36444742
C 2.25310752 -1.21995172 -6.10964832
C 1.10058883 -1.92957214 -6.16436185
C 0.97134295 -3.16053747 -5.45616526
C 1.99760834 -3.63118479 -4.70718485
C 3.23842663 -2.92282500 -4.63956631
C 4.31208260 -3.39307817 -3.89208207
C 5.52955834 -2.72118346 -3.87250017
C 6.65322768 -3.21486879 -3.13864541
H 8.69832282 -2.97894945 -2.64492875
H 8.99200019 -0.94750861 -4.04922961
H 7.08950969 0.00114036 -5.27298682
H 4.69583295 -0.10089616 -5.89678421
H 2.34634847 -0.27901578 -6.63756485
H 0.26159475 -1.55995826 -6.73785560
H 0.04209929 -3.71161899 -5.51078407
H 1.89553089 -4.54824456 -4.13852258
H 4.20148282 -4.31271470 -3.32644468
H 6.52327224 -4.11111714 -2.54464550
|
optimized_conformer_188.xyz
|
84
Properties=species:S:1:pos:R:3 charge=0 spin=0 pbc="F F F"
C 2.08726744 1.02825279 2.53269372
C 2.90034046 0.44832438 1.45621912
C 1.29357858 0.23315361 3.31773616
C 2.86627508 -0.98472550 1.25674371
C 2.84244723 -1.52210776 -0.00346431
C 2.91787801 1.31236262 0.39066469
C 3.13863200 0.86731982 -1.01608371
C 3.10083736 -0.71773596 -1.23045737
C -0.51965163 1.87094674 3.22398318
C 0.31588900 2.70339026 2.38798277
C -0.03538043 0.65932125 3.67960957
C 1.59369603 2.29701963 2.06233984
C 2.09207343 2.46813353 0.71579473
C -0.52634735 3.31044155 1.37945531
C -0.04590574 3.47330095 0.09084299
C 1.29136022 3.04319149 -0.23947342
C -2.19221632 -0.41347461 3.23834501
C -2.69235322 0.85054449 2.74250976
C -0.89179550 -0.50704390 3.69304388
C -1.87869587 1.96667468 2.73643695
C -1.88030323 2.85831045 1.59372705
C -3.55587738 0.57621771 1.61387331
C -3.56163886 1.42597764 0.52456500
C -2.69992092 2.59009557 0.51230903
C -0.62558226 -2.67984544 2.59019997
C -1.98420623 -2.57586104 2.10471896
C -0.09109693 -1.66415025 3.35855035
C -2.74869342 -1.46946641 2.42062965
C -3.59095547 -0.85639270 1.41457174
C -2.01859709 -3.11987803 0.76203076
C -2.81630020 -2.52906527 -0.20064583
C -3.62693895 -1.37539232 0.13469565
C 2.01933412 -1.79957844 2.13708984
C 1.47412684 -2.87027238 1.34477841
C 1.25879311 -1.21635183 3.11499197
C 0.17664000 -3.29067505 1.55347557
C -0.68486929 -3.56083112 0.42273890
C 1.97027620 -2.68869484 -0.00229840
C 1.15752706 -2.94511629 -1.07714496
C -0.20151318 -3.38229864 -0.86298606
C -2.82522795 -1.08943857 -2.04592348
C -2.31835494 -2.35062370 -1.54419937
C -1.03655192 -2.76017544 -1.86386852
C -2.03185034 -0.29913595 -2.85163568
C -2.76248550 1.71127330 -1.65673894
C -3.60159769 0.88332493 -0.81591042
C -3.63264401 -0.48549489 -1.00603500
C -2.00055190 1.13228046 -2.65157357
C -0.09843706 2.57281668 -2.06923615
C -0.90336069 3.18711812 -1.03667833
C -2.20465889 2.76492501 -0.83308488
C -0.63440734 1.57468527 -2.86082608
C 1.47231995 0.32773940 -2.69438416
C 2.03072342 1.38689313 -1.90914495
C 1.25752230 2.47202319 -1.59451730
C 0.16587525 0.42636566 -3.18066714
C -0.19754475 -1.92789885 -2.69815996
C 1.15965097 -2.02263784 -2.22455760
C 1.98602161 -0.92870128 -2.23750024
C -0.68439366 -0.72826239 -3.18239482
C 5.64022346 -4.32706497 -7.01779751
C 5.41330368 -5.16233109 -5.90182426
C 5.15614280 -4.61594264 -4.67746610
C 5.11243379 -3.21116601 -4.50622055
C 4.89413212 -2.61194015 -3.24203428
C 4.83827147 -1.25753046 -3.09559704
C 4.58311753 -0.65926136 -1.74552297
C 4.59531595 0.88060850 -1.61177457
C 4.72961845 1.63876009 -2.88801462
C 4.90126835 1.04476570 -4.06505336
C 4.99143099 -0.41250193 -4.23015788
C 5.22632607 -0.97223209 -5.45734583
C 5.30297765 -2.37520542 -5.62846762
C 5.57515320 -2.96988796 -6.88518775
H 5.86372302 -4.77132236 -7.97900625
H 5.44173908 -6.23802611 -6.02367739
H 4.97908826 -5.25104311 -3.81808256
H 4.77401206 -3.25021519 -2.37136278
H 5.23241789 -1.13587738 -1.01124223
H 5.31343165 1.24780486 -0.87680968
H 4.65267594 2.71935989 -2.83165135
H 4.97855447 1.64492270 -4.96429363
H 5.36861892 -0.33408737 -6.32289368
H 5.73433779 -2.32326637 -7.73878150
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.