No title
1
14.179355 0.000000 0.000000
0.000000 14.179355 0.000000
0.000000 0.000000 14.179355
C H O N
43 30 7 2
Direct configuration= 1
0.76845772 0.56361594 0.37889995
0.74347486 0.46841397 0.37543946
0.78119010 0.41022850 0.30561816
0.82534034 0.60247207 0.30891114
0.86271474 0.54470866 0.23854740
0.84409671 0.44748809 0.23947141
0.99582455 0.38637394 0.18660738
0.05102296 0.30454218 0.17682443
0.14854246 0.30868637 0.19482760
0.03819563 0.47112806 0.21360866
0.13449683 0.47488606 0.23153374
0.18948699 0.39429961 0.22373922
0.29489624 0.40046403 0.24738505
0.34617873 0.46232892 0.17311316
0.34190067 0.56138643 0.17802782
0.38860025 0.61620075 0.10984483
0.39713807 0.41900513 0.10050958
0.44267863 0.47377592 0.03225944
0.43813525 0.57204549 0.03655168
0.58121243 0.66098249 0.99683560
0.59372426 0.75310074 0.02954247
0.68285353 0.78358495 0.05851155
0.65773902 0.59856680 0.99418627
0.74705183 0.62903384 0.02247859
0.75984954 0.72218348 0.05398702
0.30515788 0.44474416 0.34611975
0.33859607 0.30126444 0.24753103
0.07809567 0.73005946 0.90945504
0.93742738 0.68858042 0.99597366
0.91270703 0.76119153 0.91783945
0.82529873 0.79877083 0.89502668
0.82110022 0.86523884 0.81960600
0.69218236 0.83306576 0.71788008
0.62778012 0.76106786 0.74789544
0.61405575 0.68079824 0.69033261
0.66312388 0.67658448 0.60666555
0.66921039 0.59386373 0.53689091
0.76289141 0.72394940 0.47985617
0.71769904 0.75018712 0.57482434
0.73028818 0.83080061 0.62613126
0.90657099 0.89340217 0.77274721
0.99355332 0.85108877 0.79828095
0.99333774 0.78562275 0.86990840
0.76156719 0.33603124 0.30265269
0.69476547 0.43956375 0.42747608
0.84058735 0.67787342 0.30914510
0.90587856 0.57517697 0.18285422
0.19219521 0.24582152 0.18618880
0.01839381 0.23811822 0.15567334
0.99580898 0.53437068 0.22091530
0.16708288 0.54140876 0.25168847
0.38653712 0.69305981 0.11404937
0.30233347 0.59562929 0.23440390
0.40140811 0.34243512 0.09717053
0.48178818 0.43968412 0.97556389
0.69243736 0.85543495 0.08405541
0.53375429 0.80094972 0.03313508
0.64750652 0.52598311 0.97093983
0.80674042 0.58065318 0.01928283
0.37946077 0.45052504 0.36416828
0.26950514 0.40025095 0.39791675
0.27329022 0.51475981 0.34620632
0.41301452 0.30621753 0.26618807
0.33172882 0.27012386 0.17762227
0.30220143 0.25728923 0.29895962
0.76180209 0.77774040 0.93296916
0.58957752 0.76834991 0.81416948
0.56667137 0.62416793 0.71158090
0.76795582 0.89124298 0.59699335
0.90464106 0.94736211 0.71810375
0.05866537 0.86949508 0.76193246
0.08205441 0.62254199 0.03179703
0.82958943 0.74663708 0.07523465
0.89107127 0.38383021 0.16895906
0.48620283 0.63002814 0.96240179
0.16878767 0.73455103 0.87809201
0.87694602 0.64920344 0.05916709
0.72742598 0.90340658 0.78694373
0.62462995 0.50907972 0.54445437
0.81734976 0.78085252 0.42455291
0.04171543 0.66967828 0.98885557
0.73509603 0.62361141 0.45956749
No title
1
14.048127 -0.089621 0.099662
-0.089621 13.959752 0.049006
0.099662 0.049006 13.989106
C H O N
43 30 7 2
Direct configuration= 2
0.76617827 0.56711388 0.38436986
0.74275358 0.46761276 0.37604035
0.78214241 0.40990665 0.30415795
0.82581656 0.60372831 0.30821476
0.86025307 0.54393361 0.23906007
0.84634277 0.44484305 0.23514045
0.99053715 0.38630873 0.18593614
0.04978124 0.30487147 0.17633908
0.14626255 0.31057120 0.19467172
0.03980096 0.47103559 0.21315758
0.13279669 0.47444971 0.23112846
0.19234010 0.39236333 0.22323067
0.29567530 0.40023076 0.24668712
0.34486872 0.46141197 0.17491718
0.34343108 0.56092450 0.17563188
0.38838658 0.61625789 0.10975598
0.39718880 0.42105695 0.09985172
0.44297383 0.47409638 0.03140854
0.44086204 0.57529202 0.03330222
0.57646455 0.65911870 0.99535298
0.59201715 0.75335098 0.02933046
0.68088203 0.78193473 0.05924996
0.65565916 0.59875641 0.99351837
0.73455955 0.62832613 0.02026318
0.74827651 0.72785143 0.05782147
0.30492092 0.44394745 0.34476229
0.33813624 0.30306540 0.24820535
0.09366793 0.72844056 0.90651898
0.93631371 0.68087012 0.00513265
0.91211882 0.75576414 0.92467839
0.82298081 0.80242987 0.88973178
0.82109352 0.86610492 0.81786445
0.69226212 0.83263308 0.72195561
0.62997840 0.76311314 0.74614114
0.61294523 0.68278424 0.69260451
0.66293352 0.66874899 0.60187242
0.66358661 0.58049626 0.53632805
0.77101482 0.73064159 0.46942245
0.72086964 0.74833229 0.56691465
0.73092360 0.83480314 0.62874770
0.90401510 0.89186287 0.77520201
0.99127941 0.85351046 0.79638837
0.00158260 0.78126466 0.87262706
0.76182342 0.33584337 0.30278012
0.69506988 0.43970243 0.42740311
0.84057898 0.67758234 0.30924642
0.90327288 0.57573410 0.18288458
0.19121596 0.24604326 0.18630621
0.01819872 0.23827038 0.15568391
0.99829718 0.53338736 0.22136013
0.16651644 0.54155688 0.25173475
0.38655624 0.69292312 0.11381561
0.30293023 0.59598113 0.23407491
0.40177808 0.34291068 0.09655460
0.48187362 0.43983353 0.97537816
0.69240700 0.85562013 0.08399119
0.53327848 0.80090554 0.03291735
0.64738206 0.52601572 0.97073524
0.80142617 0.57706002 0.01771409
0.38060988 0.45086579 0.36480589
0.26916550 0.40020066 0.39863824
0.27330609 0.51513520 0.34736586
0.41389882 0.30585930 0.26631615
0.33197562 0.26880898 0.17762980
0.30208093 0.25644158 0.29955597
0.76260456 0.77859701 0.93074188
0.59028643 0.76819152 0.81458925
0.56673218 0.62414066 0.71180995
0.76887807 0.89081392 0.59750067
0.90439489 0.94719361 0.71788095
0.05873237 0.86961541 0.76194368
0.07841566 0.62667833 0.02783381
0.82296577 0.75139903 0.07672537
0.89568482 0.38796359 0.17661181
0.48931252 0.62799308 0.97056124
0.14650413 0.73302532 0.88654290
0.92489057 0.65205491 0.04806538
0.73190063 0.89606472 0.78467908
0.63555989 0.52968539 0.54236194
0.80417022 0.76661218 0.43804625
0.03697605 0.67552110 0.98295076
0.73352177 0.62653046 0.46288388
No title
1
14.170491 -0.006053 0.006731
-0.006053 14.164522 0.003310
0.006731 0.003310 14.166505
C H O N
43 30 7 2
Direct configuration= 3
0.76833939 0.56383292 0.37919613
0.74344139 0.46837804 0.37546484
0.78123817 0.41020081 0.30554346
0.82535601 0.60253320 0.30888040
0.86257828 0.54468438 0.23855633
0.84421557 0.44732019 0.23924029
0.99550982 0.38640031 0.18653481
0.05094475 0.30456548 0.17679059
0.14839604 0.30879924 0.19481006
0.03828746 0.47111192 0.21359443
0.13439688 0.47487196 0.23149863
0.18966292 0.39417831 0.22372404
0.29493873 0.40044464 0.24735126
0.34611947 0.46229450 0.17320013
0.34197726 0.56134469 0.17790526
0.38858675 0.61620477 0.10983872
0.39712418 0.41911099 0.10048077
0.44268830 0.47378820 0.03221587
0.43825388 0.57218951 0.03640286
0.58093485 0.66090786 0.99671615
0.59362103 0.75312360 0.02952021
0.68275269 0.78351222 0.05853321
0.65761120 0.59858719 0.99413631
0.74630736 0.62906479 0.02227077
0.75916109 0.72256597 0.05413835
0.30513966 0.44469895 0.34604109
0.33856267 0.30136463 0.24757094
0.07900053 0.72986961 0.90939345
0.93747034 0.68821069 -0.00355783
0.91275141 0.76093140 0.91819203
0.82510475 0.79896037 0.89473322
0.82108286 0.86527877 0.81951343
0.69221709 0.83305612 0.71810250
0.62788505 0.76115666 0.74782097
0.61399375 0.68091752 0.69045632
0.66312799 0.67615563 0.60637526
0.66895733 0.59318985 0.53677730
0.76325783 0.72421855 0.47936153
0.71784334 0.75004332 0.57440598
0.73031883 0.83101697 0.62629237
0.90644670 0.89334462 0.77285937
0.99339232 0.85122412 0.79817008
-0.00613319 0.78535167 0.87009820
0.76158424 0.33602019 0.30266077
0.69478202 0.43956898 0.42747460
0.84058931 0.67785844 0.30914962
0.90572231 0.57522231 0.18284023
0.19213713 0.24583957 0.18618939
0.01838150 0.23812748 0.15567312
0.99596411 0.53430514 0.22095311
0.16704902 0.54142018 0.25168769
0.38653750 0.69305169 0.11403623
0.30236418 0.59564315 0.23439107
0.40142282 0.34245593 0.09714086
0.48179104 0.43969087 0.97555479
0.69243402 0.85544470 0.08405231
0.53372514 0.80094954 0.03311980
0.64749763 0.52598490 0.97092789
0.80643948 0.58049035 0.01914903
0.37953050 0.45053821 0.36421210
0.26949035 0.40025278 0.39795383
0.27329668 0.51478344 0.34627123
0.41306950 0.30619367 0.26619983
0.33175135 0.27005293 0.17761992
0.30220350 0.25724719 0.29898864
0.76182905 0.77777329 0.93285538
0.58962295 0.76833865 0.81419672
0.56667665 0.62416689 0.71159377
0.76801601 0.89121643 0.59702591
0.90462612 0.94735395 0.71808932
0.05866865 0.86950107 0.76193393
0.08178890 0.62276923 0.03156927
0.82918146 0.74693381 0.07528779
0.89136870 0.38404628 0.16942337
0.48645274 0.62992921 0.96286301
0.16754473 0.73463403 0.87840010
0.87967054 0.64902589 0.05889081
0.72771815 0.90298401 0.78682505
0.62513295 0.51009482 0.54448249
0.81675269 0.78022562 0.42515583
0.04136185 0.66999581 0.98851974
0.73500815 0.62378630 0.45974845
No title
1
14.163246 -0.011002 0.012234
-0.011002 14.152397 0.006016
0.012234 0.006016 14.156000
C H O N
43 30 7 2
Direct configuration= 4
0.76821339 0.56402614 0.37949844
0.74340151 0.46833373 0.37549808
0.78129082 0.41018307 0.30546274
0.82538237 0.60260265 0.30884189
0.86244224 0.54464147 0.23858474
0.84433971 0.44717410 0.23900091
0.99521771 0.38639659 0.18649785
0.05087617 0.30458365 0.17676379
0.14827013 0.30890337 0.19480148
0.03837617 0.47110685 0.21356946
0.13430294 0.47484781 0.23147628
0.18982052 0.39407136 0.22369588
0.29498178 0.40043177 0.24731267
0.34604703 0.46224376 0.17329987
0.34206187 0.56131923 0.17777282
0.38857495 0.61620792 0.10983381
0.39712705 0.41922441 0.10044438
0.44270464 0.47380593 0.03216884
0.43840470 0.57236907 0.03622317
0.58067253 0.66080475 0.99663436
0.59352673 0.75313740 0.02950853
0.68264371 0.78342096 0.05857409
0.65749631 0.59859763 0.99409946
0.74561721 0.62902541 0.02214867
0.75852172 0.72287893 0.05435049
0.30512659 0.44465493 0.34596609
0.33853729 0.30146415 0.24760820
0.07986093 0.72978053 0.90923080
0.93740839 0.68778437 -0.00305153
0.91271860 0.76063131 0.91857007
0.82497691 0.79916263 0.89444061
0.82108255 0.86532667 0.81941717
0.69222138 0.83303215 0.71832774
0.62800660 0.76126979 0.74772393
0.61393238 0.68102724 0.69058188
0.66311741 0.67572260 0.60611048
0.66864632 0.59245087 0.53674651
0.76370708 0.72458877 0.47878461
0.71801868 0.74994098 0.57396879
0.73035396 0.83123819 0.62643690
0.90630538 0.89325944 0.77299512
0.99326679 0.85135795 0.79806551
-0.00567784 0.78511094 0.87024829
0.76159839 0.33600981 0.30266780
0.69479884 0.43957666 0.42747055
0.84058883 0.67784235 0.30915522
0.90557836 0.57525304 0.18284197
0.19208303 0.24585180 0.18619590
0.01837072 0.23813588 0.15567371
0.99610154 0.53425084 0.22097764
0.16701772 0.54142835 0.25169026
0.38653856 0.69304414 0.11402331
0.30239717 0.59566261 0.23437287
0.40144328 0.34248223 0.09710681
0.48179577 0.43969913 0.97554452
0.69243235 0.85545494 0.08404876
0.53369886 0.80094709 0.03310778
0.64749076 0.52598670 0.97091659
0.80614583 0.58029164 0.01906252
0.37959398 0.45055706 0.36424730
0.26947156 0.40024998 0.39799372
0.27329753 0.51480418 0.34633531
0.41311835 0.30617389 0.26620689
0.33176495 0.26998026 0.17762035
0.30219681 0.25720033 0.29902161
0.76187347 0.77782069 0.93273226
0.58966210 0.76832991 0.81421990
0.56668000 0.62416538 0.71160643
0.76806694 0.89119273 0.59705393
0.90461252 0.94734464 0.71807701
0.05867236 0.86950772 0.76193455
0.08158806 0.62299783 0.03135028
0.82881558 0.74719684 0.07537029
0.89162349 0.38427475 0.16984612
0.48662429 0.62981669 0.96331389
0.16631332 0.73454906 0.87886774
0.88231981 0.64918478 0.05827598
0.72796526 0.90257834 0.78669987
0.62573736 0.51123404 0.54436630
0.81602383 0.77943803 0.42590207
0.04110029 0.67031873 0.98819346
0.73492116 0.62394756 0.45993174
No title
1
14.131614 -0.032604 0.036257
-0.032604 14.099464 0.017828
0.036257 0.017828 14.110143
C H O N
43 30 7 2
Direct configuration= 5
0.76766284 0.56486990 0.38081921
0.74322717 0.46814004 0.37564339
0.78152087 0.41010567 0.30511003
0.82549767 0.60290620 0.30867353
0.86184795 0.54445378 0.23870911
0.84488213 0.44653619 0.23795505
0.99394191 0.38637992 0.18633690
0.05057668 0.30466299 0.17664684
0.14772034 0.30935814 0.19476412
0.03876363 0.47108487 0.21346023
0.13389268 0.47474215 0.23137883
0.19050877 0.39360434 0.22357270
0.29516988 0.40037565 0.24714402
0.34573035 0.46202188 0.17373580
0.34243159 0.56120820 0.17719407
0.38852342 0.61622169 0.10981240
0.39713981 0.41972001 0.10028533
0.44277612 0.47388346 0.03196330
0.43906400 0.57315395 0.03543772
0.57952675 0.66035390 0.99627758
0.59311486 0.75319753 0.02945768
0.68216749 0.78302198 0.05875295
0.65699458 0.59864310 0.99393861
0.74260296 0.62885238 0.02161647
0.75572923 0.72424518 0.05527811
0.30506954 0.44446261 0.34563847
0.33842652 0.30189893 0.24777092
0.08361907 0.72939279 0.90851884
0.93713629 0.68592118 -0.00083917
0.91257421 0.75931978 0.92022194
0.82441935 0.80004640 0.89316233
0.82108146 0.86553600 0.81899660
0.69223969 0.83292726 0.71931176
0.62853783 0.76176431 0.74729970
0.61366429 0.68150641 0.69113043
0.66307100 0.67383079 0.60495407
0.66728682 0.58922162 0.53661317
0.76567082 0.72620753 0.47626312
0.71878509 0.74949445 0.57205861
0.73050750 0.83220465 0.62706807
0.90568781 0.89288697 0.77358849
0.99271891 0.85194255 0.79760880
-0.00368961 0.78405973 0.87090340
0.76166016 0.33596447 0.30269853
0.69487234 0.43961021 0.42745286
0.84058674 0.67777204 0.30917972
0.90494967 0.57538709 0.18284978
0.19184674 0.24590515 0.18622443
0.01832367 0.23817259 0.15567628
0.99670171 0.53401379 0.22108462
0.16688105 0.54146401 0.25170154
0.38654320 0.69301115 0.11396688
0.30254131 0.59574773 0.23429328
0.40153278 0.34259721 0.09695797
0.48181646 0.43973525 0.97549964
0.69242507 0.85549966 0.08403324
0.53358407 0.80093635 0.03305531
0.64746078 0.52599458 0.97086721
0.80486307 0.57942305 0.01868525
0.37987120 0.45063951 0.36440097
0.26938944 0.40023770 0.39816799
0.27330119 0.51489472 0.34661522
0.41333165 0.30608753 0.26623767
0.33182426 0.26966276 0.17762225
0.30216745 0.25699554 0.29916571
0.76206774 0.77802794 0.93219425
0.58983305 0.76829175 0.81432112
0.56669462 0.62415879 0.71166172
0.76828931 0.89108923 0.59717627
0.90455313 0.94730392 0.71802329
0.05868854 0.86953679 0.76193723
0.08071158 0.62399648 0.03039374
0.82721777 0.74834546 0.07573110
0.89273599 0.38527305 0.17169240
0.48737262 0.62932497 0.96528346
0.16093390 0.73417555 0.88091292
0.89389243 0.64988355 0.05558530
0.72904415 0.90080635 0.78615292
0.62837923 0.51621258 0.54385671
0.81283791 0.77599512 0.42916410
0.03995894 0.67172949 0.98676820
0.73454112 0.62465188 0.46073247
No title
1
14.143188 -0.024700 0.027467
-0.024700 14.118831 0.013506
0.027467 0.013506 14.126922
C H O N
43 30 7 2
Direct configuration= 6
0.76786508 0.56456074 0.38033430
0.74329130 0.46821132 0.37558988
0.78143633 0.41013385 0.30523962
0.82545511 0.60279460 0.30873550
0.86206607 0.54452309 0.23866302
0.84468292 0.44676984 0.23833911
0.99440967 0.38638671 0.18639518
0.05068639 0.30463399 0.17668961
0.14792167 0.30919142 0.19477763
0.03862149 0.47109269 0.21350056
0.13404312 0.47478116 0.23141431
0.19025657 0.39377544 0.22361820
0.29510083 0.40039610 0.24720603
0.34584688 0.46210368 0.17357551
0.34229571 0.56124859 0.17740672
0.38854230 0.61621665 0.10982023
0.39713475 0.41953794 0.10034388
0.44274973 0.47385488 0.03203882
0.43882129 0.57286508 0.03572670
0.57994695 0.66052002 0.99640769
0.59326583 0.75317566 0.02947611
0.68234246 0.78316883 0.05868687
0.65717844 0.59862663 0.99399735
0.74370808 0.62891746 0.02180989
0.75675308 0.72374526 0.05493628
0.30509036 0.44453317 0.34575864
0.33846700 0.30173936 0.24771125
0.08224069 0.72953286 0.90878242
0.93723850 0.68660630 -0.00165203
0.91262893 0.75980205 0.91961507
0.82462252 0.79972174 0.89363148
0.82108148 0.86545899 0.81915105
0.69223365 0.83296608 0.71895053
0.62834248 0.76158226 0.74745591
0.61376268 0.68133075 0.69092905
0.66308836 0.67452525 0.60537795
0.66778709 0.59040833 0.53666027
0.76494821 0.72561113 0.47719044
0.71850310 0.74965742 0.57276014
0.73045105 0.83184981 0.62683677
0.90591486 0.89302430 0.77337018
0.99291921 0.85172802 0.79777629
-0.00441771 0.78444489 0.87066384
0.76163755 0.33598110 0.30268728
0.69484536 0.43959784 0.42745941
0.84058756 0.67779787 0.30917070
0.90518015 0.57533822 0.18284656
0.19193337 0.24588570 0.18621383
0.01834091 0.23815914 0.15567532
0.99648182 0.53410055 0.22104565
0.16693116 0.54145099 0.25169733
0.38654148 0.69302325 0.11398759
0.30248835 0.59571636 0.23432261
0.40149980 0.34255488 0.09701270
0.48180882 0.43972196 0.97551614
0.69242770 0.85548323 0.08403895
0.53362614 0.80094035 0.03307450
0.64747174 0.52599169 0.97088532
0.80533372 0.57974266 0.01882267
0.37976959 0.45060912 0.36434476
0.26941967 0.40024231 0.39810396
0.27329997 0.51486155 0.34651250
0.41325350 0.30611914 0.26622648
0.33180269 0.26977934 0.17762149
0.30217842 0.25707081 0.29911273
0.76199605 0.77795155 0.93239193
0.58977045 0.76830570 0.81428406
0.56668930 0.62416122 0.71164143
0.76820790 0.89112715 0.59713147
0.90457490 0.94731889 0.71804296
0.05868259 0.86952611 0.76193626
0.08103183 0.62362991 0.03074463
0.82780328 0.74792462 0.07559801
0.89232862 0.38490635 0.17101568
0.48709971 0.62950575 0.96456079
0.16290808 0.73431639 0.88015869
0.88964655 0.64961956 0.05658045
0.72864917 0.90145636 0.78635382
0.62740731 0.51438250 0.54404696
0.81401020 0.77726238 0.42796362
0.04037580 0.67121157 0.98729110
0.73468059 0.62439367 0.46043852
No title
1
14.140812 -0.026323 0.029272
-0.026323 14.114855 0.014394
0.029272 0.014394 14.123477
C H O N
43 30 7 2
Direct configuration= 7
0.76782362 0.56462418 0.38043373
0.74327816 0.46819672 0.37560084
0.78145366 0.41012806 0.30521306
0.82546382 0.60281747 0.30872280
0.86202134 0.54450891 0.23867244
0.84472377 0.44672189 0.23826036
0.99431370 0.38638537 0.18638316
0.05066388 0.30463994 0.17668082
0.14788035 0.30922562 0.19477485
0.03865065 0.47109107 0.21349231
0.13401226 0.47477318 0.23140701
0.19030832 0.39374032 0.22360889
0.29511499 0.40039190 0.24719332
0.34582300 0.46208694 0.17360836
0.34232356 0.56124028 0.17736312
0.38853842 0.61621769 0.10981862
0.39713576 0.41957526 0.10033188
0.44275513 0.47386073 0.03202334
0.43887101 0.57292426 0.03566749
0.57986075 0.66048600 0.99638094
0.59323486 0.75318016 0.02947231
0.68230659 0.78313875 0.05870039
0.65714071 0.59863002 0.99398529
0.74348135 0.62890423 0.02177008
0.75654303 0.72384790 0.05500628
0.30508608 0.44451870 0.34573399
0.33845868 0.30177209 0.24772349
0.08252344 0.72950397 0.90872854
0.93721772 0.68646589 -0.00148539
0.91261784 0.75970321 0.91973948
0.82458074 0.79978830 0.89353527
0.82108145 0.86547477 0.81911938
0.69223494 0.83295814 0.71902461
0.62838251 0.76161956 0.74742392
0.61374250 0.68136679 0.69097034
0.66308483 0.67438284 0.60529098
0.66768460 0.59016507 0.53665047
0.76509626 0.72573327 0.47700041
0.71856088 0.74962393 0.57261630
0.73046262 0.83192257 0.62688423
0.90586832 0.89299618 0.77341491
0.99287807 0.85177202 0.79774193
-0.00426827 0.78436585 0.87071304
0.76164219 0.33597769 0.30268959
0.69485089 0.43960037 0.42745807
0.84058740 0.67779257 0.30917255
0.90513286 0.57534827 0.18284720
0.19191560 0.24588970 0.18621599
0.01833737 0.23816190 0.15567552
0.99652695 0.53408274 0.22105367
0.16692088 0.54145367 0.25169819
0.38654183 0.69302077 0.11398334
0.30249921 0.59572279 0.23431660
0.40150656 0.34256355 0.09700148
0.48181039 0.43972468 0.97551276
0.69242716 0.85548660 0.08403778
0.53361751 0.80093953 0.03307056
0.64746949 0.52599228 0.97088161
0.80523719 0.57967717 0.01879440
0.37979044 0.45061534 0.36435630
0.26941348 0.40024137 0.39811709
0.27330023 0.51486836 0.34653357
0.41326954 0.30611265 0.26622878
0.33180713 0.26975543 0.17762164
0.30217619 0.25705538 0.29912359
0.76201072 0.77796719 0.93235140
0.58978330 0.76830284 0.81429167
0.56669040 0.62416072 0.71164559
0.76822461 0.89111937 0.59714067
0.90457044 0.94731582 0.71803892
0.05868381 0.86952830 0.76193646
0.08096604 0.62370508 0.03067265
0.82768314 0.74801098 0.07562525
0.89241223 0.38498153 0.17115453
0.48715581 0.62946869 0.96470901
0.16250320 0.73428779 0.88031310
0.89051742 0.64967314 0.05637694
0.72873025 0.90132303 0.78631263
0.62760646 0.51475760 0.54400819
0.81377001 0.77700276 0.42820957
0.04029015 0.67131777 0.98718385
0.73465198 0.62444665 0.46049880
No title
1
14.168194 -0.030267 0.035058
-0.030470 14.008229 -0.002010
0.035236 -0.002046 14.044527
C H O N
43 30 7 2
Direct configuration= 8
0.76609127 0.56743128 0.38479726
0.74340825 0.46875761 0.37555840
0.78210890 0.40989811 0.30421602
0.82457560 0.60308115 0.30952486
0.86025143 0.54414476 0.23815519
0.84620734 0.44527187 0.23586769
0.99180346 0.38650221 0.18646416
0.04799240 0.30580576 0.17616207
0.14693924 0.30969679 0.19445849
0.03867184 0.47033408 0.21261016
0.13500620 0.47361082 0.23127764
0.19113897 0.39362666 0.22327783
0.29557030 0.40006329 0.24697736
0.34547341 0.46148750 0.17415359
0.34241407 0.56075717 0.17703734
0.38946029 0.61677421 0.10804983
0.39668910 0.42028802 0.10040169
0.44336601 0.47561146 0.03063006
0.44062627 0.57451937 0.03437920
0.57600542 0.66048724 0.99610429
0.59034715 0.75186063 0.02846641
0.67724158 0.78591610 0.06035934
0.65152505 0.59745430 0.99223893
0.74224950 0.62939348 0.02265265
0.75434037 0.72156037 0.05820457
0.30545473 0.44432426 0.34510678
0.33870797 0.30244015 0.24797938
0.07634093 0.72842104 0.91152313
0.95193477 0.69091217 -0.01147341
0.91248730 0.75809796 0.92198057
0.82593720 0.80012815 0.89137176
0.82014276 0.86595724 0.81738129
0.69409730 0.83325017 0.72072682
0.62860660 0.76259789 0.74789718
0.61414810 0.68218006 0.68970634
0.66322330 0.67054284 0.60282147
0.67053323 0.59508479 0.53608003
0.76160356 0.72213104 0.47925629
0.72001232 0.74958815 0.56925649
0.72997562 0.83067686 0.62697019
0.90479607 0.89328148 0.77361857
0.99193190 0.85120117 0.79888599
-0.00139004 0.78237941 0.87221225
0.76174028 0.33511650 0.30286149
0.69445674 0.43886231 0.42795397
0.84101907 0.67849903 0.30884887
0.90277977 0.57605799 0.18273139
0.19044168 0.24635933 0.18631209
0.01790625 0.23766935 0.15551038
0.99877495 0.53378275 0.22159504
0.16630504 0.54175986 0.25177614
0.38652880 0.69346969 0.11384322
0.30334442 0.59593858 0.23364024
0.40189039 0.34318946 0.09634168
0.48224749 0.43957422 0.97484715
0.69212703 0.85562541 0.08395281
0.53267503 0.80132696 0.03288227
0.64713393 0.52547999 0.97044697
0.79845802 0.57936420 0.01803917
0.38058584 0.45093392 0.36482183
0.26885145 0.39987413 0.39906110
0.27334723 0.51522191 0.34765703
0.41405613 0.30583334 0.26631878
0.33208730 0.26854005 0.17790949
0.30184726 0.25608026 0.30000418
0.76201307 0.77884727 0.93001286
0.59071623 0.76813712 0.81454609
0.56616369 0.62389644 0.71249151
0.77004039 0.89224900 0.59733626
0.90425149 0.94686703 0.71806754
0.05882491 0.87020674 0.76135164
0.07655915 0.62845090 0.02621899
0.82079163 0.75063227 0.07674943
0.89576415 0.38753469 0.17682709
0.48970323 0.62840122 0.97042789
0.16040951 0.73312507 0.88245776
0.91066267 0.64305709 0.06313529
0.73243796 0.89582293 0.78506268
0.62993541 0.51813322 0.54275355
0.81151573 0.77342931 0.43017097
0.04116815 0.67356378 0.98401051
0.73443784 0.62447968 0.45995558
No title
1
14.156006 -0.028511 0.032483
-0.028624 14.055687 0.005291
0.032582 0.005271 14.079667
C H O N
43 30 7 2
Direct configuration= 9
0.76686129 0.56617029 0.38284240
0.74335037 0.46850607 0.37557713
0.78181766 0.41000168 0.30466252
0.82497030 0.60296259 0.30916557
0.86103763 0.54430856 0.23838658
0.84554803 0.44592324 0.23693966
0.99291859 0.38645008 0.18642739
0.04917890 0.30528351 0.17639317
0.14735718 0.30948576 0.19459967
0.03866236 0.47067403 0.21300540
0.13456479 0.47413206 0.23133633
0.19076992 0.39367771 0.22342622
0.29536804 0.40021072 0.24707428
0.34562890 0.46175609 0.17390980
0.34237387 0.56097399 0.17718343
0.38905035 0.61652543 0.10884141
0.39688744 0.41996838 0.10036999
0.44309413 0.47482695 0.03125288
0.43984606 0.57380445 0.03495532
0.57771803 0.66048731 0.99622742
0.59162994 0.75245329 0.02891681
0.67949156 0.78467027 0.05961444
0.65401953 0.59798319 0.99302018
0.74279683 0.62917376 0.02225714
0.75531979 0.72258488 0.05677382
0.30529087 0.44441175 0.34538768
0.33859719 0.30214037 0.24786455
0.07908808 0.72890601 0.91027173
0.94539446 0.68892151 -0.00700248
0.91254594 0.75881673 0.92097829
0.82533415 0.79997670 0.89234020
0.82055936 0.86574189 0.81815883
0.69327027 0.83311808 0.71996511
0.62850701 0.76215885 0.74768488
0.61396756 0.68181593 0.69027175
0.66316183 0.67226627 0.60392883
0.66926700 0.59287835 0.53633331
0.76315605 0.72374582 0.47824781
0.71936690 0.74960577 0.57076060
0.73019214 0.83123555 0.62693228
0.90527240 0.89315355 0.77352707
0.99235252 0.85145670 0.79837404
-0.00266808 0.78326915 0.87154277
0.76169686 0.33550262 0.30278502
0.69463203 0.43919311 0.42773232
0.84082715 0.67818232 0.30899346
0.90382497 0.57574004 0.18278243
0.19109640 0.24614884 0.18626857
0.01809780 0.23789039 0.15558447
0.99777646 0.53391673 0.22135329
0.16657859 0.54162258 0.25174098
0.38653450 0.69326843 0.11390570
0.30296879 0.59584205 0.23394301
0.40171967 0.34290905 0.09663675
0.48205321 0.43964199 0.97514523
0.69226032 0.85556324 0.08399071
0.53309362 0.80115342 0.03296617
0.64728298 0.52571001 0.97064171
0.80146944 0.57950580 0.01837614
0.38023255 0.45079070 0.36461344
0.26910135 0.40003841 0.39863866
0.27332652 0.51506275 0.34715400
0.41370675 0.30595846 0.26627878
0.33196306 0.26908494 0.17778133
0.30199368 0.25651716 0.29961048
0.76201146 0.77845379 0.93105912
0.59030186 0.76821119 0.81443247
0.56639787 0.62401459 0.71211292
0.76923365 0.89174206 0.59724845
0.90439324 0.94706833 0.71805490
0.05876203 0.86990276 0.76161308
0.07851533 0.62632537 0.02820915
0.82385292 0.74945694 0.07624364
0.89427587 0.38638627 0.17428737
0.48857283 0.62887666 0.96786917
0.16134016 0.73364566 0.88149805
0.90171572 0.64601824 0.06011739
0.73079139 0.89828981 0.78562568
0.62890011 0.51661969 0.54331378
0.81251802 0.77503118 0.42929451
0.04077720 0.67255804 0.98542987
0.73453286 0.62446517 0.46019866
No title
1
14.223963 -0.019282 0.021560
-0.019689 13.997219 -0.007933
0.021989 -0.007975 14.019794
C H O N
43 30 7 2
Direct configuration= 10
0.76655336 0.56720140 0.38414455
0.74322425 0.46937436 0.37599228
0.78239571 0.40999244 0.30385568
0.82310848 0.60314772 0.31098223
0.85910082 0.54443116 0.23811744
0.84556865 0.44638103 0.23743004
0.99268465 0.38761437 0.18734796
0.04763488 0.30565537 0.17585775
0.14514574 0.30978310 0.19385822
0.04007501 0.46984413 0.21237252
0.13468183 0.47375659 0.23104185
0.19133417 0.39325015 0.22298218
0.29547015 0.39990775 0.24705550
0.34568148 0.46153057 0.17379351
0.34286633 0.56154074 0.17612493
0.38929874 0.61662725 0.10807624
0.39715943 0.42099343 0.09915792
0.44318429 0.47547763 0.03058199
0.44085494 0.57424993 0.03547819
0.57596044 0.65908205 0.99652226
0.58871931 0.75375267 0.02886647
0.67602092 0.78306512 0.06037510
0.65165858 0.59933530 0.99279735
0.73940987 0.62942129 0.02306422
0.75111766 0.72061028 0.05972653
0.30584808 0.44433366 0.34615161
0.33915289 0.30116148 0.24850207
0.07772407 0.72878355 0.91057814
0.94970716 0.68540667 -0.00334016
0.91491392 0.75971873 0.91929303
0.82680820 0.79821193 0.89253945
0.82115386 0.86500961 0.81678212
0.69497405 0.83140289 0.71974840
0.62886251 0.76274938 0.74773631
0.61404046 0.68101567 0.68796980
0.66458143 0.67412725 0.60356189
0.67256768 0.59717103 0.53456961
0.75933447 0.71911028 0.48045956
0.71778083 0.74819463 0.57144306
0.73108309 0.83042979 0.62501926
0.90556809 0.89340960 0.77344093
0.99310937 0.85039320 0.79981810
-0.00470816 0.78366004 0.87172493
0.76180766 0.33433753 0.30304832
0.69439367 0.43819056 0.42794875
0.84142798 0.67920487 0.30845147
0.90128398 0.57686991 0.18240875
0.18922640 0.24627397 0.18623535
0.01734847 0.23708751 0.15532517
0.99990424 0.53447943 0.22205484
0.16581139 0.54196572 0.25183763
0.38655080 0.69439078 0.11372572
0.30382732 0.59635752 0.23333671
0.40221539 0.34342119 0.09573411
0.48276152 0.43939133 0.97411108
0.69153824 0.85769986 0.08453735
0.53114785 0.80180756 0.03259818
0.64621413 0.52354573 0.96947239
0.79601960 0.57933389 0.01793192
0.38065059 0.45110661 0.36501175
0.26879348 0.39986838 0.39929859
0.27347532 0.51543921 0.34843745
0.41430119 0.30566854 0.26635162
0.33233302 0.26766471 0.17824087
0.30196573 0.25579715 0.30030187
0.76216637 0.77950539 0.92809503
0.59116549 0.76801332 0.81527210
0.56624393 0.62444673 0.71295130
0.77081380 0.89214256 0.59808904
0.90412194 0.94684062 0.71771471
0.05782060 0.87062269 0.76132427
0.07450074 0.63040767 0.02440880
0.81885336 0.75126750 0.07793309
0.89653099 0.38648731 0.17794781
0.48928378 0.62879978 0.97077114
0.15828022 0.73213627 0.88433632
0.92330316 0.64528974 0.05862174
0.73405189 0.89477270 0.78537163
0.63023352 0.51761158 0.54186920
0.81209252 0.77298081 0.42918297
0.04444011 0.67616533 0.97951908
0.73373422 0.62521491 0.46084796
No title
1
14.186563 -0.024362 0.027571
-0.024606 14.029397 -0.000655
0.027818 -0.000685 14.052745
C H O N
43 30 7 2
Direct configuration= 11
0.76672184 0.56663077 0.38342445
0.74329346 0.46889424 0.37576243
0.78207943 0.40999818 0.30430138
0.82412755 0.60304378 0.30997887
0.86016179 0.54436284 0.23826697
0.84555731 0.44612778 0.23715876
0.99281281 0.38697037 0.18683866
0.04848091 0.30544958 0.17615415
0.14635739 0.30961836 0.19426882
0.03930125 0.47030362 0.21272213
0.13461772 0.47396429 0.23120475
0.19102515 0.39348688 0.22322758
0.29541413 0.40007523 0.24706599
0.34565265 0.46165529 0.17385788
0.34259722 0.56122827 0.17670945
0.38916304 0.61657147 0.10849899
0.39701130 0.42042767 0.09982718
0.44313540 0.47511842 0.03095241
0.44030230 0.57400383 0.03518853
0.57692250 0.65985786 0.99636080
0.59031398 0.75303354 0.02889487
0.67792098 0.78395053 0.05995703
0.65295226 0.59858731 0.99292082
0.74126472 0.62928283 0.02261948
0.75341735 0.72169845 0.05809743
0.30554255 0.44437662 0.34572919
0.33884793 0.30170233 0.24814998
0.07847099 0.72885057 0.91040944
0.94734233 0.68734879 -0.00536435
0.91361793 0.75922199 0.92022297
0.82600016 0.79918766 0.89242961
0.82082855 0.86541524 0.81754315
0.69404036 0.83235152 0.71986833
0.62866798 0.76242313 0.74770742
0.61400120 0.68145916 0.68924247
0.66380468 0.67309950 0.60376311
0.67076204 0.59480083 0.53554074
0.76142512 0.72166953 0.47924120
0.71864878 0.74897355 0.57106729
0.73059561 0.83087641 0.62607661
0.90540626 0.89326825 0.77348828
0.99269388 0.85098046 0.79902020
-0.00359071 0.78344317 0.87162493
0.76174646 0.33498132 0.30290335
0.69452379 0.43874441 0.42782976
0.84109947 0.67864026 0.30875023
0.90267626 0.57624476 0.18261579
0.19025068 0.24620415 0.18625445
0.01775872 0.23753108 0.15546923
0.99873873 0.53416887 0.22166588
0.16623168 0.54177575 0.25178436
0.38654233 0.69377062 0.11382461
0.30335752 0.59607328 0.23367117
0.40194442 0.34313881 0.09623251
0.48237390 0.43953066 0.97468247
0.69193425 0.85651852 0.08423443
0.53221395 0.80144553 0.03280207
0.64679929 0.52474203 0.97012026
0.79900469 0.57942713 0.01817989
0.38042157 0.45093197 0.36479126
0.26896178 0.39996189 0.39893407
0.27339343 0.51523055 0.34772783
0.41397548 0.30582894 0.26631126
0.33212971 0.26844949 0.17798746
0.30198051 0.25619469 0.29992013
0.76208309 0.77892583 0.92973266
0.59069206 0.76812255 0.81480777
0.56632805 0.62420741 0.71248777
0.76994812 0.89192136 0.59762356
0.90427060 0.94696654 0.71790297
0.05833660 0.87022463 0.76148393
0.07670254 0.62815212 0.02650885
0.82159163 0.75026419 0.07700056
0.89529437 0.38643038 0.17592367
0.48889317 0.62884101 0.96916696
0.15995452 0.73296783 0.88276973
0.91147973 0.64570103 0.05943942
0.73226496 0.89671774 0.78551247
0.62950412 0.51706466 0.54266652
0.81232491 0.77411384 0.42924587
0.04243752 0.67417621 0.98278249
0.73417164 0.62479994 0.46048905
No title
1
14.299426 0.001640 -0.014629
0.000967 14.025554 -0.031502
-0.013816 -0.031606 14.052297
C H O N
43 30 7 2
Direct configuration= 12
0.76694253 0.56595726 0.38282751
0.74300265 0.46887420 0.37607643
0.78166621 0.40997151 0.30484560
0.82310463 0.60388141 0.31067867
0.85859815 0.54549418 0.23860467
0.84512935 0.44723441 0.23883819
0.99413426 0.38761009 0.18781600
0.04808188 0.30505668 0.17575516
0.14470790 0.30964061 0.19354932
0.04043736 0.47100459 0.21269446
0.13502440 0.47414406 0.23097076
0.19080562 0.39308661 0.22279366
0.29542250 0.39969903 0.24716931
0.34603446 0.46202422 0.17311926
0.34289274 0.56179962 0.17595768
0.38891930 0.61721599 0.10873353
0.39729296 0.42072893 0.09869117
0.44335163 0.47466858 0.03036278
0.44042107 0.57344305 0.03659899
0.57668546 0.66007526 0.99748128
0.58850403 0.75390826 0.02908848
0.67641874 0.78302574 0.06088164
0.65300511 0.59815735 0.99288957
0.73854195 0.62938825 0.02351043
0.75048338 0.72050987 0.06016629
0.30583044 0.44447114 0.34700974
0.33934783 0.30022639 0.24876308
0.07904263 0.73038021 0.90832358
0.95068645 0.68788738 -0.00607462
0.91427292 0.75958523 0.91925990
0.82751070 0.79769844 0.89272851
0.82313778 0.86339738 0.81753636
0.69544029 0.83016564 0.71818195
0.62882847 0.76162153 0.74687826
0.61361350 0.68111213 0.68861787
0.66424605 0.67552014 0.60490302
0.67079554 0.59321310 0.53442063
0.76203797 0.72170863 0.47760330
0.71725685 0.74889978 0.57266246
0.73179124 0.83098132 0.62477506
0.90684185 0.89294500 0.77354066
0.99309796 0.85138300 0.79896950
-0.00548696 0.78470121 0.87081043
0.76203135 0.33436569 0.30312345
0.69462603 0.43805109 0.42766111
0.84137711 0.67909888 0.30842788
0.90057329 0.57726038 0.18237659
0.18844543 0.24604813 0.18609042
0.01699953 0.23695924 0.15527471
0.00043474 0.53482301 0.22224498
0.16553456 0.54202553 0.25184642
0.38659204 0.69465666 0.11360807
0.30400948 0.59671239 0.23321984
0.40239152 0.34352772 0.09533158
0.48286266 0.43949203 0.97395431
0.69076040 0.85755433 0.08446408
0.52972998 0.80248966 0.03241327
0.64563916 0.52374765 0.96924647
0.79634741 0.57920044 0.01812455
0.38048172 0.45113170 0.36510999
0.26901048 0.39998364 0.39925306
0.27364910 0.51543481 0.34879995
0.41420647 0.30554203 0.26640220
0.33247410 0.26718899 0.17839298
0.30221598 0.25576292 0.30038317
0.76214680 0.77948310 0.92750845
0.59143317 0.76797734 0.81563526
0.56652566 0.62484292 0.71280573
0.77102284 0.89161144 0.59846182
0.90417113 0.94703748 0.71730042
0.05713576 0.87064165 0.76159991
0.07542434 0.63010681 0.02446019
0.81887892 0.75073988 0.07860916
0.89569403 0.38506119 0.17729385
0.48783249 0.62931308 0.96890718
0.15976474 0.73220248 0.88390403
0.91942854 0.64250417 0.06338431
0.73366616 0.89569595 0.78564889
0.63160757 0.51959810 0.54121646
0.81034748 0.77079510 0.43068329
0.04532260 0.67629451 0.97865674
0.73335177 0.62546258 0.46142183
No title
1
14.257472 -0.008026 0.001058
-0.008540 14.026983 -0.020036
0.001661 -0.020112 14.052464
C H O N
43 30 7 2
Direct configuration= 13
0.76686134 0.56620833 0.38304973
0.74310955 0.46888119 0.37596004
0.78181800 0.40998069 0.30464377
0.82348168 0.60356867 0.31041898
0.85917521 0.54507216 0.23847994
0.84528610 0.44682126 0.23821344
0.99364628 0.38737232 0.18745069
0.04822921 0.30520283 0.17590424
0.14531702 0.30963180 0.19381861
0.04001886 0.47074475 0.21270291
0.13487479 0.47407769 0.23105714
0.19088679 0.39323565 0.22295554
0.29541905 0.39983884 0.24713120
0.34589470 0.46188790 0.17339311
0.34278495 0.56158799 0.17623635
0.38900936 0.61697598 0.10864609
0.39719051 0.42061804 0.09911291
0.44327222 0.47483647 0.03058210
0.44037537 0.57365049 0.03607499
0.57677181 0.65999334 0.99706483
0.58917190 0.75358161 0.02901780
0.67697115 0.78336782 0.06054034
0.65298537 0.59831729 0.99290148
0.73954521 0.62934645 0.02318217
0.75156239 0.72094812 0.05940143
0.30572294 0.44443515 0.34653331
0.33916183 0.30077503 0.24853581
0.07883509 0.72981354 0.90909710
0.94945428 0.68768999 -0.00581473
0.91403265 0.75945140 0.91961689
0.82695230 0.79825297 0.89261693
0.82228481 0.86414928 0.81753796
0.69492437 0.83098077 0.71880908
0.62876965 0.76192038 0.74718697
0.61375693 0.68124141 0.68885078
0.66408365 0.67461944 0.60447680
0.67078334 0.59380441 0.53483828
0.76181375 0.72169585 0.47821147
0.71776841 0.74892495 0.57207107
0.73135177 0.83094420 0.62525749
0.90631214 0.89306614 0.77351986
0.99294926 0.85123364 0.79898757
-0.00478591 0.78423279 0.87111430
0.76192564 0.33459462 0.30304182
0.69458805 0.43830910 0.42772426
0.84127537 0.67892881 0.30854703
0.90134979 0.57688149 0.18246702
0.18911128 0.24610504 0.18615353
0.01727935 0.23717150 0.15534833
-0.00019093 0.53458046 0.22202728
0.16579175 0.54193212 0.25182392
0.38657453 0.69432741 0.11368779
0.30376995 0.59647556 0.23338637
0.40222787 0.34338415 0.09566568
0.48268317 0.43950733 0.97422449
0.69119375 0.85716818 0.08437917
0.53064718 0.80210003 0.03255972
0.64606730 0.52411732 0.96957339
0.79732732 0.57928295 0.01814826
0.38045932 0.45105721 0.36499128
0.26899219 0.39997532 0.39913440
0.27355378 0.51535816 0.34840094
0.41412099 0.30564880 0.26636837
0.33234581 0.26765759 0.17824287
0.30212835 0.25592325 0.30021112
0.76212608 0.77927776 0.92833476
0.59115886 0.76803116 0.81532694
0.56645286 0.62460649 0.71268679
0.77062537 0.89172673 0.59814926
0.90420851 0.94701153 0.71752447
0.05757877 0.87048567 0.76155779
0.07589925 0.62938080 0.02522160
0.81987793 0.75055982 0.07801380
0.89554424 0.38556946 0.17678517
0.48822426 0.62913704 0.96900455
0.15983299 0.73248600 0.88348320
0.91649065 0.64369509 0.06191159
0.73314858 0.89607673 0.78559745
0.63083508 0.51865871 0.54175111
0.81107299 0.77202659 0.43015384
0.04426446 0.67551222 0.98018553
0.73365357 0.62521486 0.46107544
No title
1
14.392941 0.034556 -0.055559
0.033368 14.049577 -0.061488
-0.054211 -0.061685 14.063462
C H O N
43 30 7 2
Direct configuration= 14
0.76671894 0.56581203 0.38280629
0.74272807 0.46828815 0.37614693
0.78127454 0.40985790 0.30551748
0.82271643 0.60463723 0.31056272
0.85791815 0.54647375 0.23882065
0.84497474 0.44734237 0.23994663
0.99458989 0.38757801 0.18833912
0.04805759 0.30471248 0.17558658
0.14445153 0.30944388 0.19314606
0.04091115 0.47190514 0.21292626
0.13560454 0.47430446 0.23078743
0.19041980 0.39293398 0.22247758
0.29551697 0.39943314 0.24704757
0.34628466 0.46216164 0.17248758
0.34281250 0.56211636 0.17590514
0.38881911 0.61778530 0.10906164
0.39727836 0.42053392 0.09829342
0.44362131 0.47415150 0.03003226
0.44052018 0.57333682 0.03711055
0.57629941 0.66040173 0.99819931
0.58761664 0.75426046 0.02944360
0.67541304 0.78398062 0.06187546
0.65213245 0.59706003 0.99268579
0.73825711 0.62863153 0.02430786
0.74981138 0.72057506 0.06152861
0.30586648 0.44452478 0.34757339
0.33953976 0.29960010 0.24905028
0.07912197 0.73245556 0.90582951
0.95146510 0.68752272 -0.00490995
0.91419928 0.75868336 0.92001529
0.82797965 0.79719410 0.89251597
0.82491460 0.86196604 0.81750991
0.69634519 0.82914718 0.71735888
0.62904879 0.76112963 0.74662466
0.61318444 0.68142336 0.68918229
0.66352802 0.67473218 0.60506296
0.67189828 0.59614090 0.53468658
0.76005461 0.72044503 0.47967216
0.71779888 0.74986024 0.57188060
0.73226276 0.83130407 0.62524332
0.90748224 0.89287837 0.77325599
0.99279829 0.85243169 0.79823961
-0.00496664 0.78553120 0.86980390
0.76243585 0.33434513 0.30323476
0.69494747 0.43780007 0.42729180
0.84129124 0.67921851 0.30842474
0.89896636 0.57780947 0.18255521
0.18704389 0.24579076 0.18587122
0.01646035 0.23678856 0.15520097
0.00139458 0.53557047 0.22264188
0.16517541 0.54229641 0.25191422
0.38662318 0.69515981 0.11343350
0.30446395 0.59720972 0.23283733
0.40269680 0.34365307 0.09461493
0.48307505 0.43957876 0.97359385
0.68957285 0.85716935 0.08432877
0.52806017 0.80315294 0.03207263
0.64482900 0.52382223 0.96878380
0.79532459 0.57929496 0.01833621
0.38033371 0.45120558 0.36542756
0.26927233 0.40007812 0.39942778
0.27391185 0.51551665 0.34956968
0.41413657 0.30522491 0.26654070
0.33272529 0.26619830 0.17865345
0.30257472 0.25546201 0.30070041
0.76241859 0.77959825 0.92619768
0.59243575 0.76792386 0.81553124
0.56674983 0.62521761 0.71269405
0.77186859 0.89132992 0.59890199
0.90412868 0.94683922 0.71714844
0.05648786 0.87086456 0.76177083
0.07604857 0.63071107 0.02349545
0.81724983 0.75013941 0.07971568
0.89569886 0.38440341 0.17828075
0.48688618 0.62955783 0.96848162
0.16185935 0.73244597 0.88318598
0.92217297 0.64209629 0.06402288
0.73459072 0.89505198 0.78570085
0.63118822 0.51751039 0.54037862
0.81132532 0.77090799 0.42935187
0.04495066 0.67658312 0.97773017
0.73340098 0.62470741 0.46057573
No title
1
14.346764 0.020041 -0.036260
0.019083 14.041875 -0.047358
-0.035166 -0.047514 14.059713
C H O N
43 30 7 2
Direct configuration= 15
0.76676695 0.56594700 0.38288980
0.74285605 0.46848940 0.37608438
0.78145677 0.40989826 0.30522074
0.82297569 0.60427265 0.31051373
0.85834355 0.54599512 0.23870491
0.84507810 0.44716296 0.23935619
0.99427029 0.38750808 0.18803502
0.04811547 0.30487950 0.17569550
0.14474448 0.30950763 0.19337650
0.04061070 0.47151091 0.21284782
0.13535871 0.47422830 0.23087808
0.19057782 0.39303665 0.22264131
0.29548361 0.39957139 0.24707633
0.34615445 0.46206979 0.17279521
0.34280415 0.56193691 0.17601739
0.38888360 0.61750926 0.10891955
0.39724969 0.42056346 0.09857252
0.44350349 0.47438552 0.03021975
0.44046960 0.57344268 0.03675794
0.57645783 0.66026112 0.99781313
0.58814191 0.75402741 0.02930000
0.67593800 0.78376914 0.06142221
0.65241950 0.59748726 0.99276166
0.73868986 0.62887239 0.02392689
0.75039946 0.72069810 0.06080682
0.30581673 0.44449338 0.34721884
0.33941030 0.29999983 0.24887571
0.07903202 0.73155999 0.90693946
0.95078475 0.68758079 -0.00522069
0.91414173 0.75894451 0.91988014
0.82763183 0.79755561 0.89255003
0.82402449 0.86271176 0.81751808
0.69586553 0.82977410 0.71785274
0.62895450 0.76139959 0.74681660
0.61337749 0.68136052 0.68906996
0.66371498 0.67469265 0.60486395
0.67152431 0.59534702 0.53473441
0.76064545 0.72086746 0.47917826
0.71778977 0.74954216 0.57194450
0.73195552 0.83118254 0.62524655
0.90708730 0.89294373 0.77334447
0.99285144 0.85202456 0.79849338
-0.00490260 0.78509045 0.87024918
0.76226307 0.33443036 0.30316860
0.69482617 0.43797411 0.42743912
0.84128633 0.67912005 0.30846608
0.89977197 0.57749113 0.18252748
0.18774204 0.24589589 0.18597049
0.01673672 0.23691820 0.15525265
0.00085937 0.53523454 0.22242940
0.16538377 0.54217172 0.25188394
0.38660791 0.69487683 0.11351922
0.30423106 0.59696113 0.23302266
0.40254011 0.34356309 0.09497193
0.48294362 0.43955548 0.97380805
0.69012024 0.85716735 0.08434813
0.52893540 0.80279246 0.03224099
0.64524788 0.52392219 0.96905472
0.79600061 0.57928864 0.01827490
0.38037569 0.45115452 0.36527898
0.26917745 0.40004313 0.39932737
0.27378955 0.51546190 0.34917095
0.41413066 0.30536901 0.26648241
0.33259517 0.26669491 0.17851454
0.30242289 0.25561894 0.30053361
0.76232295 0.77949162 0.92692488
0.59200421 0.76796148 0.81546003
0.56665015 0.62500992 0.71269057
0.77144741 0.89146548 0.59864431
0.90415596 0.94689816 0.71727680
0.05685632 0.87073429 0.76169937
0.07600174 0.63026023 0.02408186
0.81813460 0.75027810 0.07913998
0.89564353 0.38479890 0.17777229
0.48733911 0.62941378 0.96866113
0.16117547 0.73246196 0.88328451
0.92024988 0.64264407 0.06329764
0.73410261 0.89540210 0.78566470
0.63106965 0.51790293 0.54084677
0.81124007 0.77128974 0.42962581
0.04472325 0.67622183 0.97856450
0.73348643 0.62488035 0.46074679
No title
1
14.413055 0.038513 -0.068357
0.037303 14.039669 -0.069712
-0.066835 -0.069920 14.051366
C H O N
43 30 7 2
Direct configuration= 16
0.76645611 0.56595920 0.38279224
0.74266210 0.46829175 0.37615105
0.78161172 0.40977435 0.30542410
0.82216139 0.60475439 0.31070029
0.85764285 0.54614201 0.23889596
0.84505627 0.44704960 0.24040856
0.99426212 0.38769821 0.18864049
0.04810610 0.30476065 0.17563523
0.14462011 0.30946926 0.19299884
0.04107961 0.47175582 0.21306436
0.13558956 0.47443279 0.23057135
0.19052719 0.39278197 0.22223605
0.29555822 0.39938482 0.24668140
0.34616688 0.46202676 0.17234962
0.34285443 0.56224237 0.17582043
0.38894113 0.61769775 0.10921214
0.39731417 0.42048941 0.09806568
0.44361398 0.47421823 0.03029124
0.44066522 0.57361686 0.03684026
0.57550941 0.65994116 0.99820360
0.58722929 0.75474663 0.02999951
0.67460018 0.78432617 0.06230389
0.65117138 0.59732188 0.99303732
0.73797362 0.62819753 0.02487306
0.74920899 0.72084314 0.06204630
0.30586303 0.44443589 0.34740953
0.33947043 0.29969296 0.24908528
0.08045766 0.73305623 0.90471162
0.95170458 0.68677751 -0.00355623
0.91506195 0.75797883 0.92053515
0.82818799 0.79689920 0.89229679
0.82553139 0.86178417 0.81679740
0.69660624 0.82911967 0.71831310
0.62978800 0.76177505 0.74692689
0.61308758 0.68143373 0.68924507
0.66347360 0.67440186 0.60425837
0.67078292 0.59469742 0.53511142
0.76062715 0.72134406 0.47917537
0.71781425 0.74947421 0.57112369
0.73247243 0.83144517 0.62578285
0.90674272 0.89314213 0.77277494
0.99252402 0.85295238 0.79790951
-0.00446306 0.78559541 0.86963986
0.76285172 0.33454770 0.30326968
0.69522604 0.43781956 0.42701832
0.84098338 0.67940305 0.30868378
0.89781323 0.57804560 0.18288476
0.18622350 0.24533452 0.18563104
0.01619362 0.23692622 0.15523414
0.00176812 0.53646343 0.22293729
0.16512844 0.54254414 0.25197661
0.38660433 0.69542273 0.11335188
0.30469538 0.59759835 0.23262781
0.40287476 0.34350526 0.09408805
0.48314970 0.43961839 0.97341283
0.68865763 0.85693625 0.08431535
0.52748760 0.80316649 0.03178632
0.64423663 0.52382184 0.96839182
0.79534730 0.57920954 0.01862122
0.38003533 0.45118350 0.36575104
0.26965388 0.40022751 0.39949844
0.27412032 0.51555139 0.35010768
0.41387766 0.30488840 0.26671766
0.33289478 0.26544830 0.17884353
0.30303794 0.25532682 0.30083968
0.76286290 0.77953789 0.92542672
0.59354142 0.76798778 0.81490502
0.56688056 0.62538998 0.71246422
0.77247186 0.89109853 0.59924783
0.90400774 0.94645221 0.71734132
0.05632147 0.87109425 0.76180315
0.07724847 0.63096941 0.02279332
0.81647993 0.74937023 0.08058221
0.89599794 0.38465520 0.17953023
0.48668255 0.62952545 0.96898531
0.16170947 0.73316479 0.88250271
0.92292419 0.64318090 0.06284828
0.73564506 0.89395504 0.78554064
0.63230337 0.51880086 0.53967866
0.81040175 0.76966306 0.43014557
0.04401204 0.67677639 0.97736825
0.73337938 0.62438252 0.46032116
No title
1
14.398371 0.034421 -0.061247
0.033267 14.040158 -0.064760
-0.059819 -0.064956 14.053215
C H O N
43 30 7 2
Direct configuration= 17
0.76652470 0.56595644 0.38281402
0.74270478 0.46833546 0.37613644
0.78157742 0.40980178 0.30537899
0.82234099 0.60464735 0.31065917
0.85779730 0.54610920 0.23885391
0.84506054 0.44707434 0.24017535
0.99426368 0.38765587 0.18850622
0.04810816 0.30478700 0.17564863
0.14464771 0.30947786 0.19308263
0.04097617 0.47170161 0.21301604
0.13553886 0.47438766 0.23063915
0.19053848 0.39283852 0.22232599
0.29554191 0.39942632 0.24676897
0.34616434 0.46203645 0.17244840
0.34284352 0.56217478 0.17586396
0.38892836 0.61765590 0.10914719
0.39730018 0.42050602 0.09817802
0.44358954 0.47425530 0.03027540
0.44062209 0.57357829 0.03682185
0.57571826 0.66001164 0.99811763
0.58743038 0.75458678 0.02984466
0.67489490 0.78420206 0.06210893
0.65144642 0.59735807 0.99297690
0.73813090 0.62834651 0.02466393
0.74947093 0.72081023 0.06177211
0.30585271 0.44444857 0.34736726
0.33945699 0.29976089 0.24903890
0.08014480 0.73272592 0.90520420
0.95150072 0.68695515 -0.00392534
0.91485845 0.75819282 0.92038984
0.82806530 0.79704488 0.89235287
0.82519921 0.86199037 0.81695671
0.69644251 0.82926471 0.71821092
0.62960426 0.76169206 0.74690190
0.61315144 0.68141737 0.68920637
0.66352704 0.67446643 0.60439282
0.67094604 0.59484100 0.53502845
0.76063132 0.72123846 0.47917585
0.71780924 0.74948956 0.57130564
0.73235827 0.83138694 0.62566362
0.90681904 0.89309827 0.77290128
0.99259676 0.85274693 0.79803877
-0.00455954 0.78548387 0.86977452
0.76272191 0.33452184 0.30324694
0.69513803 0.43785406 0.42711145
0.84105015 0.67934018 0.30863558
0.89824512 0.57792207 0.18280635
0.18655836 0.24545858 0.18570723
0.01631339 0.23692430 0.15523851
0.00156783 0.53619124 0.22282383
0.16518480 0.54246152 0.25195606
0.38660536 0.69530184 0.11338878
0.30459337 0.59745744 0.23271488
0.40280139 0.34351848 0.09428382
0.48310447 0.43960465 0.97350030
0.68898009 0.85698705 0.08432343
0.52780717 0.80308337 0.03188770
0.64445991 0.52384401 0.96853930
0.79549117 0.57922675 0.01854481
0.38011016 0.45117681 0.36564656
0.26954879 0.40018674 0.39946022
0.27404695 0.51553133 0.34989986
0.41393320 0.30499473 0.26666581
0.33282820 0.26572446 0.17877090
0.30290209 0.25539161 0.30077163
0.76274458 0.77952832 0.92575851
0.59320273 0.76798259 0.81502726
0.56682997 0.62530592 0.71251414
0.77224557 0.89117991 0.59911367
0.90404027 0.94655095 0.71732725
0.05643946 0.87101431 0.76178028
0.07697438 0.63081310 0.02307806
0.81684384 0.74957039 0.08026368
0.89591889 0.38468652 0.17914044
0.48682720 0.62950041 0.96891374
0.16159230 0.73300950 0.88267549
0.92233487 0.64306289 0.06294636
0.73530460 0.89427613 0.78556788
0.63203215 0.51860269 0.53993665
0.81058589 0.77002304 0.43003135
0.04416960 0.67665374 0.97763357
0.73340305 0.62449294 0.46041573
No title
1
14.440504 0.046818 -0.086595
0.045515 14.028613 -0.083511
-0.084804 -0.083728 14.039356
C H O N
43 30 7 2
Direct configuration= 18
0.76608708 0.56610189 0.38281509
0.74278459 0.46844715 0.37591811
0.78198689 0.40976319 0.30544689
0.82150742 0.60470472 0.31075931
0.85709857 0.54572702 0.23927598
0.84526988 0.44691153 0.24090042
0.99405417 0.38783181 0.18908381
0.04807032 0.30499403 0.17574071
0.14452840 0.30949286 0.19276620
0.04104607 0.47185255 0.21327038
0.13561404 0.47448539 0.23030586
0.19075413 0.39277137 0.22193265
0.29553806 0.39936918 0.24626870
0.34601485 0.46192442 0.17216393
0.34296801 0.56224890 0.17565076
0.38918479 0.61769107 0.10923021
0.39731578 0.42045533 0.09785834
0.44372607 0.47442814 0.03040387
0.44063683 0.57376860 0.03678305
0.57467532 0.65993601 0.99843269
0.58653021 0.75489092 0.03049736
0.67367126 0.78415624 0.06267916
0.65043567 0.59753823 0.99354440
0.73709807 0.62818217 0.02561504
0.74803160 0.72068406 0.06248908
0.30587493 0.44436274 0.34717578
0.33938313 0.29968751 0.24905999
0.08049459 0.73330656 0.90435181
0.95300746 0.68759475 -0.00457212
0.91580900 0.75769331 0.92063048
0.82928793 0.79636610 0.89200529
0.82596043 0.86139055 0.81616417
0.69716887 0.82916407 0.71915596
0.63063937 0.76214332 0.74696128
0.61347810 0.68174013 0.68877423
0.66330570 0.67454801 0.60378225
0.67082299 0.59490005 0.53485765
0.76031052 0.72086656 0.47916585
0.71753258 0.74928562 0.57100800
0.73259983 0.83097256 0.62603605
0.90624395 0.89322268 0.77235074
0.99210863 0.85327425 0.79784547
-0.00418440 0.78576853 0.86942537
0.76337116 0.33463790 0.30330150
0.69548532 0.43777377 0.42675812
0.84054247 0.67962890 0.30901560
0.89646651 0.57835557 0.18316185
0.18531027 0.24465809 0.18530833
0.01590611 0.23711462 0.15529260
0.00237597 0.53732725 0.22328447
0.16507150 0.54281697 0.25202701
0.38656997 0.69563583 0.11327895
0.30494916 0.59811008 0.23241036
0.40308766 0.34330907 0.09341814
0.48316087 0.43970360 0.97331026
0.68756981 0.85714362 0.08447162
0.52682377 0.80318921 0.03144855
0.64345167 0.52385298 0.96790793
0.79534987 0.57901958 0.01898456
0.37969561 0.45114297 0.36615916
0.27011992 0.40037531 0.39958469
0.27436958 0.51560587 0.35076237
0.41358388 0.30448622 0.26696114
0.33310096 0.26451829 0.17911059
0.30362081 0.25519808 0.30101008
0.76331741 0.77941921 0.92451110
0.59480705 0.76814807 0.81449570
0.56694997 0.62553752 0.71225439
0.77321593 0.89079693 0.59977809
0.90374376 0.94625188 0.71728405
0.05611512 0.87146836 0.76177460
0.07850060 0.63160744 0.02159732
0.81568172 0.74858194 0.08177098
0.89643937 0.38482015 0.18101058
0.48642543 0.62950400 0.96955754
0.16213087 0.73403691 0.88150660
0.92282069 0.64299069 0.06383244
0.73689575 0.89282348 0.78552819
0.63255833 0.51834288 0.53904415
0.81022920 0.76917965 0.43024562
0.04456701 0.67683290 0.97668362
0.73319356 0.62433221 0.46040398
No title
1
14.465598 0.054202 -0.101692
0.052810 14.021737 -0.094679
-0.099685 -0.094908 14.031101
C H O N
43 30 7 2
Direct configuration= 19
0.76582712 0.56618881 0.38281537
0.74283170 0.46851351 0.37578812
0.78223015 0.40974003 0.30548778
0.82101247 0.60473943 0.31081818
0.85668424 0.54549990 0.23952657
0.84539503 0.44681495 0.24133279
0.99393025 0.38793726 0.18942808
0.04804783 0.30511753 0.17579573
0.14445722 0.30950161 0.19257743
0.04108777 0.47194269 0.21342222
0.13565829 0.47454334 0.23010731
0.19088183 0.39273092 0.22169831
0.29553529 0.39933472 0.24597039
0.34592583 0.46185749 0.17199408
0.34304168 0.56229286 0.17552385
0.38933714 0.61771196 0.10928001
0.39732474 0.42042486 0.09766773
0.44380720 0.47453120 0.03048074
0.44064544 0.57388201 0.03676009
0.57405632 0.65989172 0.99861936
0.58599614 0.75507321 0.03088578
0.67294519 0.78413000 0.06301779
0.64983591 0.59764659 0.99388181
0.73648577 0.62808550 0.02618087
0.74717763 0.72061017 0.06291490
0.30588796 0.44431141 0.34706157
0.33933933 0.29964383 0.24907242
0.08070114 0.73365181 0.90384446
0.95390129 0.68797471 -0.00495562
0.91637401 0.75739525 0.92077456
0.83001400 0.79596058 0.89179881
0.82641199 0.86103198 0.81569199
0.69760126 0.82910446 0.71972009
0.63125393 0.76241183 0.74699815
0.61367149 0.68193201 0.68851720
0.66317359 0.67459626 0.60341806
0.67074972 0.59493518 0.53475574
0.76012019 0.72064502 0.47915924
0.71736807 0.74916395 0.57083009
0.73274387 0.83072573 0.62625802
0.90590179 0.89329670 0.77202199
0.99181828 0.85358868 0.79773013
-0.00396212 0.78593774 0.86921784
0.76375674 0.33470679 0.30333481
0.69569125 0.43772545 0.42654777
0.84024123 0.67980156 0.30924185
0.89541039 0.57861517 0.18337226
0.18456906 0.24418124 0.18506855
0.01566421 0.23722832 0.15532457
0.00285580 0.53800438 0.22356087
0.16500410 0.54302897 0.25206947
0.38654868 0.69583485 0.11321369
0.30515981 0.59849869 0.23222970
0.40325689 0.34318340 0.09290216
0.48319411 0.43976240 0.97319710
0.68673236 0.85723780 0.08455860
0.52623925 0.80325246 0.03118578
0.64285225 0.52385834 0.96753044
0.79526651 0.57889651 0.01924642
0.37944998 0.45112342 0.36646430
0.27045913 0.40048753 0.39965966
0.27456202 0.51565082 0.35127700
0.41337700 0.30418351 0.26713643
0.33326389 0.26379942 0.17931244
0.30404797 0.25508253 0.30115285
0.76365636 0.77935288 0.92376792
0.59575918 0.76824547 0.81418062
0.56702085 0.62567531 0.71209983
0.77379307 0.89056867 0.60017495
0.90356778 0.94607373 0.71725775
0.05592226 0.87173919 0.76177122
0.07940504 0.63207897 0.02071677
0.81499362 0.74799452 0.08266761
0.89675032 0.38490103 0.18212622
0.48618749 0.62950686 0.96994096
0.16244900 0.73464814 0.88081110
0.92311016 0.64294811 0.06436117
0.73784138 0.89195671 0.78550507
0.63287003 0.51818702 0.53851240
0.81001802 0.76867727 0.43037231
0.04480195 0.67693874 0.97611783
0.73306922 0.62423650 0.46039662
No title
1
14.490837 0.061279 -0.116990
0.059836 14.009225 -0.104984
-0.114810 -0.105230 14.016139
C H O N
43 30 7 2
Direct configuration= 20
0.76545002 0.56631359 0.38281641
0.74294518 0.46861831 0.37553285
0.78257217 0.40976239 0.30563615
0.82036375 0.60476715 0.31088868
0.85616137 0.54532976 0.23993672
0.84567379 0.44669067 0.24183778
0.99391185 0.38815719 0.18996940
0.04792592 0.30538395 0.17592807
0.14428638 0.30946835 0.19231887
0.04098566 0.47230165 0.21370627
0.13569704 0.47459129 0.22985987
0.19104009 0.39281278 0.22133010
0.29547881 0.39934770 0.24559881
0.34580888 0.46177123 0.17173952
0.34317428 0.56230981 0.17535535
0.38952981 0.61780915 0.10931738
0.39733386 0.42038271 0.09746183
0.44394683 0.47462510 0.03050400
0.44051145 0.57392940 0.03687616
0.57341755 0.66016420 0.99904276
0.58508657 0.75491675 0.03123207
0.67202803 0.78401925 0.06339037
0.64912011 0.59758402 0.99433108
0.73568564 0.62785589 0.02683036
0.74617107 0.72046535 0.06341664
0.30588994 0.44429064 0.34685250
0.33926224 0.29952364 0.24899010
0.08108595 0.73387041 0.90343515
0.95424700 0.68787714 -0.00460188
0.91719104 0.75744830 0.92049631
0.83110154 0.79540733 0.89148657
0.82682622 0.86038480 0.81539789
0.69829778 0.82900961 0.71994994
0.63209854 0.76248543 0.74678390
0.61409241 0.68226583 0.68801993
0.66287899 0.67482839 0.60313242
0.67091097 0.59506598 0.53418890
0.75965974 0.71993500 0.47920692
0.71708397 0.74919719 0.57092815
0.73292428 0.83024176 0.62646843
0.90575253 0.89315411 0.77175567
0.99156429 0.85378298 0.79771689
-0.00379233 0.78618256 0.86897316
0.76431331 0.33467808 0.30336101
0.69598314 0.43770604 0.42624387
0.83967110 0.67988673 0.30959784
0.89406467 0.57885564 0.18365919
0.18368033 0.24345997 0.18471107
0.01543387 0.23749847 0.15542495
0.00352576 0.53872631 0.22389774
0.16493709 0.54323122 0.25207259
0.38651079 0.69592828 0.11317071
0.30542274 0.59901152 0.23198943
0.40345908 0.34300225 0.09220163
0.48313260 0.43989082 0.97321252
0.68559715 0.85754316 0.08478339
0.52560167 0.80329218 0.03086992
0.64202752 0.52408655 0.96710559
0.79499300 0.57892953 0.01970307
0.37915370 0.45105898 0.36687560
0.27094293 0.40060143 0.39970650
0.27480378 0.51572051 0.35190744
0.41309814 0.30380212 0.26740908
0.33345901 0.26284029 0.17957344
0.30464031 0.25500369 0.30132598
0.76433204 0.77918450 0.92282480
0.59696143 0.76846156 0.81410212
0.56722812 0.62599248 0.71179655
0.77444155 0.89003926 0.60083483
0.90319511 0.94612108 0.71692928
0.05556301 0.87214749 0.76178662
0.08078001 0.63266744 0.01952709
0.81408767 0.74714317 0.08390712
0.89719379 0.38483106 0.18346898
0.48584616 0.62951411 0.97035793
0.16219741 0.73553986 0.87996953
0.92364632 0.64377738 0.06387583
0.73894348 0.89124417 0.78578848
0.63300813 0.51755615 0.53793745
0.81002361 0.76843300 0.43035015
0.04595453 0.67692467 0.97537961
0.73281108 0.62426219 0.46057970
No title
1
14.520940 0.069718 -0.135235
0.068215 13.994303 -0.117275
-0.132850 -0.117540 13.998292
C H O N
43 30 7 2
Direct configuration= 21
0.76500095 0.56646277 0.38281727
0.74307991 0.46874313 0.37522830
0.78297956 0.40978902 0.30581377
0.81959143 0.60480068 0.31097205
0.85553944 0.54512733 0.24042562
0.84600639 0.44654258 0.24244098
0.99389050 0.38842023 0.19061591
0.04778077 0.30570219 0.17608616
0.14408266 0.30942852 0.19200991
0.04086424 0.47273048 0.21404560
0.13574283 0.47464829 0.22956452
0.19122800 0.39291008 0.22089075
0.29541109 0.39936290 0.24515508
0.34566935 0.46166809 0.17143535
0.34333193 0.56232982 0.17515435
0.38975919 0.61792509 0.10936233
0.39734448 0.42033222 0.09721596
0.44411304 0.47473713 0.03053202
0.44035204 0.57398616 0.03701462
0.57265739 0.66049024 0.99954772
0.58400412 0.75473080 0.03164423
0.67093654 0.78388790 0.06383396
0.64826846 0.59751013 0.99486654
0.73473391 0.62758283 0.02760463
0.74497334 0.72029350 0.06401430
0.30589204 0.44426565 0.34660286
0.33917042 0.29938013 0.24889161
0.08154348 0.73413078 0.90294714
0.95465913 0.68776076 -0.00417916
0.91816344 0.75751089 0.92016518
0.83239633 0.79474595 0.89111465
0.82731942 0.85961171 0.81504669
0.69912741 0.82889618 0.72022519
0.63310385 0.76257262 0.74652923
0.61459277 0.68266366 0.68742702
0.66252773 0.67510541 0.60279119
0.67110219 0.59522152 0.53351242
0.75911198 0.71908769 0.47926262
0.71674581 0.74923712 0.57104489
0.73313963 0.82966409 0.62671946
0.90557457 0.89298376 0.77143738
0.99126176 0.85401508 0.79770093
-0.00359062 0.78647452 0.86868144
0.76497603 0.33464350 0.30339300
0.69633031 0.43768242 0.42588137
0.83899269 0.67998904 0.31002224
0.89246263 0.57914375 0.18400026
0.18262214 0.24259913 0.18428248
0.01515960 0.23782120 0.15554474
0.00432344 0.53958804 0.22430144
0.16485719 0.54347270 0.25207642
0.38646557 0.69603980 0.11311942
0.30573520 0.59962337 0.23170333
0.40369906 0.34278526 0.09136530
0.48305931 0.44004418 0.97323097
0.68424564 0.85790856 0.08505061
0.52484211 0.80333969 0.03049201
0.64104490 0.52435909 0.96659748
0.79466789 0.57896951 0.02024799
0.37880150 0.45098260 0.36736627
0.27151895 0.40073715 0.39976315
0.27509236 0.51580412 0.35266055
0.41276669 0.30334722 0.26773394
0.33369220 0.26169542 0.17988448
0.30534583 0.25490939 0.30153338
0.76513544 0.77898227 0.92169944
0.59839266 0.76871875 0.81401012
0.56747434 0.62637072 0.71143498
0.77521479 0.88940747 0.60162310
0.90275097 0.94617753 0.71653665
0.05513504 0.87263514 0.76180491
0.08241526 0.63336809 0.01810890
0.81301104 0.74612846 0.08538518
0.89772353 0.38474845 0.18507274
0.48544027 0.62952332 0.97085536
0.16189630 0.73660379 0.87896515
0.92428361 0.64476661 0.06329774
0.74025645 0.89039316 0.78612765
0.63317220 0.51680243 0.53725059
0.81003039 0.76814137 0.43032348
0.04732591 0.67690656 0.97449963
0.73250395 0.62429317 0.46079797
No title
1
14.546907 0.074600 -0.150263
0.073153 13.982591 -0.124504
-0.147691 -0.124748 13.986343
C H O N
43 30 7 2
Direct configuration= 22
0.76458480 0.56656968 0.38275738
0.74307209 0.46880153 0.37508844
0.78336117 0.40970243 0.30607600
0.81882970 0.60499550 0.31117969
0.85507848 0.54529292 0.24080718
0.84640294 0.44643458 0.24303860
0.99413242 0.38893640 0.19138746
0.04762539 0.30603490 0.17630945
0.14385662 0.30929726 0.19169760
0.04092473 0.47329441 0.21447107
0.13568544 0.47482043 0.22934218
0.19117589 0.39299473 0.22032161
0.29532192 0.39939074 0.24478561
0.34560067 0.46161078 0.17106271
0.34347603 0.56244302 0.17502661
0.38978097 0.61805323 0.10953995
0.39741934 0.42019560 0.09692374
0.44414481 0.47464104 0.03060567
0.44016729 0.57391740 0.03726679
0.57215533 0.66054421 0.00013066
0.58294718 0.75457549 0.03197694
0.66993622 0.78395462 0.06424103
0.64751788 0.59729995 0.99536448
0.73390479 0.62698769 0.02811482
0.74408357 0.72019555 0.06468814
0.30590790 0.44434549 0.34645451
0.33912902 0.29911464 0.24871801
0.08152685 0.73429850 0.90275750
0.95566008 0.68797744 -0.00468714
0.91914386 0.75777857 0.91965106
0.83323909 0.79417029 0.89071944
0.82806082 0.85869530 0.81515093
0.69997341 0.82859435 0.71983023
0.63400286 0.76243040 0.74622893
0.61478115 0.68283593 0.68711969
0.66221243 0.67526413 0.60226495
0.67071989 0.59432228 0.53282952
0.75919556 0.71921341 0.47894042
0.71645733 0.74919751 0.57104508
0.73365473 0.82952730 0.62689990
0.90578865 0.89268433 0.77118334
0.99135743 0.85413158 0.79758927
-0.00330051 0.78660593 0.86859973
0.76568007 0.33443156 0.30342790
0.69669799 0.43771998 0.42547566
0.83809640 0.67990782 0.31046515
0.89106348 0.57928893 0.18429498
0.18167207 0.24180875 0.18382931
0.01498887 0.23827010 0.15574179
0.00499913 0.54034372 0.22469075
0.16479808 0.54355954 0.25197709
0.38641736 0.69602851 0.11314148
0.30604213 0.60014892 0.23138825
0.40388057 0.34262543 0.09056179
0.48293657 0.44019918 0.97335877
0.68286471 0.85826281 0.08539700
0.52418028 0.80338401 0.03019484
0.64002230 0.52479997 0.96619663
0.79393448 0.57931087 0.02093122
0.37857553 0.45085777 0.36779507
0.27205678 0.40076089 0.39973627
0.27532163 0.51593585 0.35326594
0.41248992 0.30299146 0.26807784
0.33386676 0.26058099 0.18009271
0.30595868 0.25489466 0.30177033
0.76637362 0.77862885 0.92069658
0.59973085 0.76903292 0.81431057
0.56799784 0.62706964 0.71088260
0.77578572 0.88841006 0.60253472
0.90214651 0.94643470 0.71594327
0.05452104 0.87315326 0.76188889
0.08460259 0.63358907 0.01709556
0.81185173 0.74512064 0.08684964
0.89818453 0.38423859 0.18625956
0.48498566 0.62961578 0.97103373
0.16150037 0.73772667 0.87790567
0.92454901 0.64583467 0.06276111
0.74090142 0.89032378 0.78677422
0.63361469 0.51677362 0.53664008
0.80959356 0.76753978 0.43079191
0.04830615 0.67700792 0.97373883
0.73216108 0.62413894 0.46084017
No title
1
14.569892 0.078922 -0.163565
0.077523 13.972225 -0.130903
-0.160828 -0.131128 13.975766
C H O N
43 30 7 2
Direct configuration= 23
0.76421699 0.56666450 0.38270398
0.74306503 0.46885321 0.37496455
0.78369863 0.40962573 0.30630864
0.81815676 0.60516840 0.31136303
0.85467146 0.54543994 0.24114487
0.84675391 0.44633905 0.24356838
0.99434673 0.38939398 0.19207148
0.04748819 0.30632981 0.17650729
0.14365664 0.30918090 0.19142062
0.04097840 0.47379420 0.21484833
0.13563448 0.47497285 0.22914523
0.19112929 0.39306948 0.21981737
0.29524278 0.39941525 0.24445821
0.34553966 0.46155985 0.17073248
0.34360321 0.56254320 0.17491363
0.38980034 0.61816682 0.10969739
0.39748527 0.42007440 0.09666486
0.44417298 0.47455593 0.03067089
0.44000428 0.57385664 0.03749000
0.57171222 0.66059243 0.00064668
0.58201359 0.75443836 0.03227066
0.66905267 0.78401420 0.06460077
0.64685516 0.59711419 0.99580484
0.73317280 0.62646092 0.02856579
0.74329799 0.72010934 0.06528426
0.30592176 0.44441616 0.34632313
0.33909237 0.29887937 0.24856405
0.08151193 0.73444701 0.90258955
0.95654400 0.68816887 -0.00513615
0.92000963 0.75801519 0.91919660
0.83398358 0.79365986 0.89036983
0.82871630 0.85788326 0.81524356
0.70072067 0.82832652 0.71948097
0.63479702 0.76230400 0.74596364
0.61494728 0.68298835 0.68684766
0.66193330 0.67540460 0.60179850
0.67038173 0.59352541 0.53222373
0.75926907 0.71932461 0.47865510
0.71620244 0.74916250 0.57104496
0.73411008 0.82940604 0.62706019
0.90597768 0.89241888 0.77095833
0.99144182 0.85423471 0.79749049
-0.00304428 0.78672224 0.86852766
0.76630226 0.33424361 0.30345938
0.69702249 0.43775296 0.42511658
0.83730485 0.67983633 0.31085668
0.88982739 0.57941809 0.18455485
0.18083239 0.24110860 0.18342657
0.01483805 0.23866794 0.15591642
0.00559631 0.54101318 0.22503664
0.16474572 0.54363644 0.25188908
0.38637479 0.69601852 0.11316097
0.30631290 0.60061428 0.23110963
0.40404029 0.34248342 0.08985001
0.48282819 0.44033660 0.97347195
0.68164471 0.85857722 0.08570276
0.52359519 0.80342333 0.02993097
0.63911822 0.52519066 0.96584076
0.79328694 0.57961382 0.02153601
0.37837629 0.45074745 0.36817470
0.27253199 0.40078174 0.39971297
0.27552473 0.51605278 0.35380256
0.41224578 0.30267652 0.26838211
0.33402154 0.25959371 0.18027684
0.30650042 0.25488153 0.30198082
0.76746689 0.77831493 0.91980909
0.60091347 0.76931099 0.81457815
0.56845970 0.62768843 0.71039404
0.77629132 0.88752667 0.60334246
0.90161178 0.94666244 0.71541711
0.05397841 0.87361251 0.76196296
0.08653436 0.63378375 0.01619992
0.81082897 0.74422878 0.08814554
0.89859311 0.38378729 0.18731124
0.48458409 0.62969790 0.97119137
0.16114921 0.73872110 0.87696717
0.92478272 0.64678058 0.06228641
0.74147194 0.89026242 0.78734762
0.63400513 0.51674769 0.53609958
0.80920818 0.76700715 0.43120624
0.04917158 0.67709709 0.97306576
0.73185819 0.62400243 0.46087716
No title
1
14.604762 0.089041 -0.184787
0.087515 13.971248 -0.139257
-0.181617 -0.139476 13.975504
C H O N
43 30 7 2
Direct configuration= 24
0.76373208 0.56668098 0.38268401
0.74303181 0.46882643 0.37484637
0.78410459 0.40939713 0.30666868
0.81737077 0.60532433 0.31159906
0.85424170 0.54567974 0.24156478
0.84715943 0.44636177 0.24423903
0.99469916 0.38996011 0.19292704
0.04747125 0.30679617 0.17685541
0.14342208 0.30897421 0.19106894
0.04126164 0.47445555 0.21537215
0.13563852 0.47520110 0.22897391
0.19082360 0.39307357 0.21910470
0.29514452 0.39939050 0.24407304
0.34555844 0.46155801 0.17029361
0.34367695 0.56265913 0.17491019
0.38968558 0.61818087 0.10991232
0.39753212 0.41980319 0.09640182
0.44403691 0.47440639 0.03083269
0.43986239 0.57377559 0.03774064
0.57114265 0.66010350 0.00120570
0.58125594 0.75458826 0.03271340
0.66812300 0.78416863 0.06502526
0.64613696 0.59691515 0.99634246
0.73215399 0.62618567 0.02909844
0.74214399 0.71984826 0.06597140
0.30599199 0.44456365 0.34629711
0.33910399 0.29855327 0.24837558
0.08146477 0.73492310 0.90214768
0.95807872 0.68882519 -0.00657920
0.92097202 0.75812069 0.91880882
0.83474616 0.79303483 0.89000493
0.82954333 0.85731317 0.81528850
0.70158428 0.82810543 0.71922741
0.63557331 0.76210885 0.74598864
0.61509238 0.68314330 0.68657961
0.66155776 0.67520546 0.60096552
0.67028298 0.59386329 0.53171955
0.75866445 0.71929652 0.47926758
0.71609712 0.74905066 0.57062829
0.73475685 0.82920431 0.62706854
0.90642942 0.89222977 0.77048962
0.99173654 0.85428917 0.79726168
-0.00249595 0.78689745 0.86841882
0.76713121 0.33383966 0.30353306
0.69730985 0.43774170 0.42475438
0.83614519 0.67984010 0.31132006
0.88865507 0.57959339 0.18462882
0.17986439 0.24043224 0.18290997
0.01466310 0.23922440 0.15619954
0.00611006 0.54190958 0.22549776
0.16475849 0.54366351 0.25169145
0.38631596 0.69605817 0.11327365
0.30662088 0.60108031 0.23077484
0.40416261 0.34233053 0.08902349
0.48273224 0.44043113 0.97359662
0.68008263 0.85887588 0.08615023
0.52282850 0.80351533 0.02968208
0.63790113 0.52556844 0.96542097
0.79231176 0.57998281 0.02237453
0.37828799 0.45057202 0.36853623
0.27303044 0.40065646 0.39960474
0.27570131 0.51627218 0.35428978
0.41202823 0.30241639 0.26874183
0.33414384 0.25840054 0.18036307
0.30700340 0.25490609 0.30231265
0.76895790 0.77762703 0.91903335
0.60246923 0.76967460 0.81499127
0.56902821 0.62845909 0.70974534
0.77707924 0.88650661 0.60424579
0.90084025 0.94677479 0.71494119
0.05343042 0.87427896 0.76197748
0.08920922 0.63384198 0.01520728
0.80963759 0.74324967 0.08980410
0.89908287 0.38300905 0.18829331
0.48405949 0.62979176 0.97116052
0.16058342 0.73994581 0.87583629
0.92487303 0.64794007 0.06177277
0.74162389 0.89051054 0.78805463
0.63392003 0.51562159 0.53553316
0.80933547 0.76699593 0.43119263
0.04995331 0.67674629 0.97298489
0.73158431 0.62359510 0.46041967
No title
1
14.615737 0.092226 -0.191466
0.090660 13.970941 -0.141886
-0.188161 -0.142104 13.975422
C H O N
43 30 7 2
Direct configuration= 25
0.76357980 0.56668628 0.38267750
0.74302133 0.46881799 0.37480915
0.78423228 0.40932516 0.30678215
0.81712403 0.60537363 0.31167301
0.85410689 0.54575539 0.24169679
0.84728706 0.44636896 0.24445031
0.99481009 0.39013840 0.19319662
0.04746598 0.30694304 0.17696506
0.14334831 0.30890914 0.19095809
0.04135067 0.47466376 0.21553728
0.13563967 0.47527291 0.22892003
0.19072729 0.39307479 0.21888023
0.29511351 0.39938266 0.24395175
0.34556414 0.46155735 0.17015548
0.34370008 0.56269561 0.17490916
0.38964964 0.61818536 0.10997992
0.39754677 0.41971776 0.09631900
0.44399429 0.47435938 0.03088352
0.43981797 0.57375016 0.03781945
0.57096415 0.65994983 0.00138130
0.58101819 0.75463569 0.03285244
0.66783123 0.78421752 0.06515846
0.64591172 0.59685275 0.99651132
0.73183438 0.62609935 0.02926557
0.74178199 0.71976645 0.06618710
0.30601400 0.44461006 0.34628898
0.33910762 0.29845059 0.24831620
0.08144966 0.73507289 0.90200866
0.95855984 0.68903118 -0.00703258
0.92127402 0.75815362 0.91868722
0.83498559 0.79283786 0.88989032
0.82980316 0.85713354 0.81530293
0.70185539 0.82803559 0.71914796
0.63581712 0.76204725 0.74599684
0.61513779 0.68319200 0.68649534
0.66143951 0.67514270 0.60070311
0.67025168 0.59396958 0.53156087
0.75847487 0.71928792 0.47946008
0.71606389 0.74901541 0.57049706
0.73495999 0.82914068 0.62707144
0.90657110 0.89217005 0.77034226
0.99182897 0.85430620 0.79718980
-0.00232386 0.78695246 0.86838485
0.76739163 0.33371233 0.30355656
0.69739992 0.43773802 0.42464051
0.83578126 0.67984163 0.31146538
0.88828696 0.57964883 0.18465159
0.17956034 0.24021945 0.18274679
0.01460817 0.23939965 0.15628868
0.00627140 0.54219172 0.22564331
0.16476241 0.54367199 0.25162925
0.38629753 0.69607068 0.11330910
0.30671734 0.60122688 0.23066968
0.40420068 0.34228222 0.08876336
0.48270214 0.44046093 0.97363583
0.67959226 0.85897031 0.08629041
0.52258762 0.80354441 0.02960340
0.63751869 0.52568755 0.96528834
0.79200584 0.58009933 0.02263808
0.37826047 0.45051689 0.36864995
0.27318693 0.40061689 0.39957088
0.27575693 0.51634130 0.35444326
0.41196013 0.30233462 0.26885491
0.33418254 0.25802495 0.18039005
0.30716148 0.25491377 0.30241734
0.76942589 0.77741002 0.91878974
0.60295786 0.76978879 0.81512210
0.56920627 0.62870144 0.70954156
0.77732728 0.88618552 0.60453030
0.90059774 0.94681023 0.71479105
0.05325822 0.87448887 0.76198191
0.09004868 0.63385954 0.01489609
0.80926444 0.74294204 0.09032542
0.89923726 0.38276416 0.18860252
0.48389473 0.62982141 0.97115058
0.16040499 0.74033124 0.87548030
0.92490091 0.64830494 0.06161135
0.74167186 0.89058874 0.78827729
0.63389330 0.51526704 0.53535462
0.80937544 0.76699236 0.43118840
0.05019882 0.67663568 0.97295974
0.73149819 0.62346686 0.46027547
No title
1
14.644096 0.100870 -0.209702
0.099211 13.970602 -0.147012
-0.205931 -0.147162 13.981875
C H O N
43 30 7 2
Direct configuration= 26
0.76328952 0.56646445 0.38254322
0.74304312 0.46862661 0.37468426
0.78458893 0.40911940 0.30703529
0.81662393 0.60529068 0.31180121
0.85391031 0.54581452 0.24192648
0.84747061 0.44637835 0.24491310
0.99503067 0.39039410 0.19372259
0.04760063 0.30731861 0.17729307
0.14322567 0.30881028 0.19072822
0.04153229 0.47516216 0.21593920
0.13581911 0.47535577 0.22883719
0.19047685 0.39297544 0.21839031
0.29503659 0.39930503 0.24365250
0.34561286 0.46154445 0.16993344
0.34370576 0.56265265 0.17494179
0.38953595 0.61807537 0.11002106
0.39747930 0.41953363 0.09625593
0.44380257 0.47431021 0.03098844
0.43972800 0.57373518 0.03792749
0.57044229 0.65959494 0.00175226
0.58085072 0.75471562 0.03311936
0.66729461 0.78434625 0.06544360
0.64538116 0.59668795 0.99679958
0.73099428 0.62649205 0.02972447
0.74080932 0.71952165 0.06667057
0.30610476 0.44468683 0.34635787
0.33912684 0.29821871 0.24823836
0.08163975 0.73554679 0.90154932
0.95917515 0.68896686 -0.00726737
0.92194582 0.75802221 0.91846296
0.83574701 0.79247070 0.88963549
0.83018904 0.85747371 0.81502006
0.70224527 0.82802680 0.71953517
0.63633348 0.76202646 0.74623666
0.61549836 0.68346257 0.68608918
0.66115461 0.67503269 0.60019427
0.66983087 0.59366201 0.53125366
0.75834668 0.71951344 0.47955390
0.71604160 0.74889113 0.57012530
0.73525335 0.82855024 0.62695972
0.90679589 0.89215198 0.76991528
0.99203924 0.85430130 0.79694073
-0.00188741 0.78726988 0.86814337
0.76805468 0.33331510 0.30366699
0.69742381 0.43764701 0.42453113
0.83478784 0.68006534 0.31176269
0.88783629 0.57981428 0.18446839
0.17897304 0.23998021 0.18236716
0.01447542 0.23989299 0.15657618
0.00641521 0.54287165 0.22601324
0.16491605 0.54369703 0.25142164
0.38624350 0.69614864 0.11348984
0.30686200 0.60143998 0.23051465
0.40419447 0.34213672 0.08826348
0.48265679 0.44044362 0.97372443
0.67848069 0.85907241 0.08668481
0.52201702 0.80363710 0.02951369
0.63659103 0.52574061 0.96500526
0.79126531 0.58022771 0.02329594
0.37834662 0.45036300 0.36876225
0.27344171 0.40040220 0.39938275
0.27581396 0.51653912 0.35458786
0.41188695 0.30229165 0.26905441
0.33419787 0.25727135 0.18036548
0.30734204 0.25499899 0.30267263
0.77033121 0.77652680 0.91872391
0.60416966 0.77002926 0.81541376
0.56937427 0.62898009 0.70915846
0.77826661 0.88580609 0.60491708
0.90001654 0.94659757 0.71474819
0.05322816 0.87509017 0.76181516
0.09195484 0.63382580 0.01426883
0.80844099 0.74236667 0.09151087
0.89958834 0.38236909 0.18918087
0.48349579 0.62973296 0.97108854
0.15984830 0.74111876 0.87480252
0.92532843 0.64970852 0.06024683
0.74156144 0.89070657 0.78857686
0.63397535 0.51501587 0.53503310
0.80923696 0.76693265 0.43150710
0.05093146 0.67619758 0.97318686
0.73121029 0.62342129 0.45996469
No title
1
14.663102 0.106664 -0.221924
0.104941 13.970375 -0.150447
-0.217840 -0.150552 13.986200
C H O N
43 30 7 2
Direct configuration= 27
0.76309533 0.56631586 0.38245297
0.74305767 0.46849831 0.37460057
0.78482778 0.40898142 0.30720512
0.81628954 0.60523531 0.31188664
0.85377898 0.54585428 0.24208019
0.84759376 0.44638468 0.24522328
0.99517855 0.39056551 0.19407519
0.04769082 0.30757034 0.17751300
0.14314349 0.30874402 0.19057410
0.04165390 0.47549621 0.21620872
0.13593904 0.47541121 0.22878187
0.19030898 0.39290884 0.21806188
0.29498494 0.39925296 0.24345196
0.34564527 0.46153574 0.16978474
0.34370960 0.56262387 0.17496364
0.38945998 0.61800171 0.11004850
0.39743419 0.41941024 0.09621357
0.44367443 0.47427736 0.03105855
0.43966791 0.57372520 0.03799978
0.57009365 0.65935738 0.00200023
0.58073888 0.75476931 0.03329805
0.66693584 0.78443280 0.06563418
0.64502656 0.59657778 0.99699219
0.73043255 0.62675568 0.03003127
0.74015919 0.71935808 0.06699356
0.30616550 0.44473826 0.34640412
0.33913972 0.29806328 0.24818619
0.08176635 0.73586422 0.90124189
0.95958657 0.68892345 -0.00742414
0.92239507 0.75793382 0.91831327
0.83625627 0.79222426 0.88946534
0.83044680 0.85770148 0.81483097
0.70250637 0.82802084 0.71979489
0.63667907 0.76201237 0.74639775
0.61573911 0.68364367 0.68581746
0.66096368 0.67495895 0.59985312
0.66954926 0.59345598 0.53104744
0.75826092 0.71966466 0.47961670
0.71602645 0.74880776 0.56987620
0.73544972 0.82815438 0.62688499
0.90694592 0.89213967 0.76962944
0.99217970 0.85429788 0.79677406
-0.00159579 0.78748238 0.86798206
0.76849844 0.33304863 0.30374143
0.69743974 0.43758598 0.42445785
0.83412349 0.68021574 0.31196107
0.88753462 0.57992530 0.18434532
0.17857997 0.23982001 0.18211229
0.01438665 0.24022375 0.15676878
0.00651145 0.54332737 0.22626133
0.16501864 0.54371371 0.25128270
0.38620748 0.69620095 0.11361089
0.30695855 0.60158272 0.23041097
0.40418997 0.34203909 0.08792857
0.48262653 0.44043206 0.97378374
0.67773743 0.85914137 0.08694810
0.52163523 0.80369944 0.02945313
0.63597027 0.52577647 0.96481485
0.79077045 0.58031420 0.02373603
0.37840439 0.45025986 0.36883752
0.27361206 0.40025817 0.39925688
0.27585215 0.51667171 0.35468483
0.41183818 0.30226293 0.26918798
0.33420840 0.25676627 0.18034885
0.30746298 0.25505609 0.30284383
0.77093708 0.77593449 0.91868037
0.60498039 0.77019001 0.81561023
0.56948624 0.62916669 0.70890202
0.77889539 0.88555150 0.60517689
0.89962782 0.94645525 0.71471894
0.05320769 0.87549314 0.76170356
0.09322939 0.63380228 0.01385025
0.80789137 0.74198165 0.09230416
0.89982381 0.38210430 0.18956850
0.48322893 0.62967383 0.97104662
0.15947507 0.74164662 0.87434820
0.92561276 0.65064872 0.05933345
0.74148778 0.89078566 0.78877747
0.63403008 0.51484742 0.53481773
0.80914461 0.76689275 0.43172045
0.05142189 0.67590372 0.97333952
0.73101748 0.62339079 0.45975624
No title
1
14.691471 0.116424 -0.243457
0.114630 13.964864 -0.155400
-0.238716 -0.155339 13.996127
C H O N
43 30 7 2
Direct configuration= 28
0.76287419 0.56601122 0.38225684
0.74304426 0.46801710 0.37455140
0.78528781 0.40867878 0.30738517
0.81590856 0.60511199 0.31190355
0.85380142 0.54587001 0.24202715
0.84774036 0.44619866 0.24557859
0.99534572 0.39086783 0.19454762
0.04782733 0.30781788 0.17784599
0.14307302 0.30879386 0.19039014
0.04170463 0.47592000 0.21660072
0.13608352 0.47542826 0.22868439
0.19037543 0.39278219 0.21772115
0.29490548 0.39914492 0.24315539
0.34560892 0.46135851 0.16978328
0.34375611 0.56251528 0.17487550
0.38933165 0.61793013 0.11000101
0.39731342 0.41937457 0.09617456
0.44346558 0.47420276 0.03108206
0.43947512 0.57371202 0.03804505
0.56956599 0.65937733 0.00236009
0.58039435 0.75464562 0.03334230
0.66639508 0.78456740 0.06592980
0.64427888 0.59641443 0.99713035
0.72964541 0.62696545 0.03038929
0.73949803 0.71961056 0.06777615
0.30626781 0.44472046 0.34640605
0.33912879 0.29781587 0.24815955
0.08161509 0.73599343 0.90130951
0.96076231 0.68922871 -0.00840713
0.92321754 0.75778773 0.91781486
0.83702844 0.79219882 0.88902324
0.83063551 0.85841400 0.81460495
0.70261926 0.82792128 0.72024273
0.63738159 0.76221194 0.74655089
0.61613594 0.68388991 0.68541034
0.66078342 0.67511872 0.59944872
0.66909225 0.59302221 0.53061460
0.75833218 0.71966338 0.47915327
0.71587177 0.74850428 0.56969980
0.73575605 0.82767756 0.62712795
0.90682503 0.89207456 0.76939570
0.99238776 0.85448716 0.79624712
-0.00136697 0.78779055 0.86779882
0.76928365 0.33264776 0.30392404
0.69736727 0.43743692 0.42438999
0.83290388 0.68049994 0.31221805
0.88732947 0.58000491 0.18417712
0.17815340 0.23977987 0.18170854
0.01426623 0.24086103 0.15717281
0.00651592 0.54394573 0.22668260
0.16538647 0.54377649 0.25101855
0.38613600 0.69618578 0.11389098
0.30702567 0.60164845 0.23034755
0.40406780 0.34184156 0.08755042
0.48251579 0.44036877 0.97398079
0.67668465 0.85918729 0.08744942
0.52128386 0.80365513 0.02947512
0.63506585 0.52563058 0.96460043
0.78981515 0.58045831 0.02448315
0.37857339 0.45008054 0.36877952
0.27378685 0.39996526 0.39892707
0.27588377 0.51681621 0.35462030
0.41178791 0.30234950 0.26929287
0.33416051 0.25619563 0.18037816
0.30750292 0.25525026 0.30303391
0.77189016 0.77471442 0.91899017
0.60622318 0.77035185 0.81597931
0.56957029 0.62933101 0.70851466
0.77995274 0.88514136 0.60539905
0.89908186 0.94612752 0.71476957
0.05345899 0.87615669 0.76141348
0.09507471 0.63365701 0.01338799
0.80685383 0.74145955 0.09340649
0.90016930 0.38213316 0.19020009
0.48283210 0.62939700 0.97111962
0.15942026 0.74235902 0.87361241
0.92539106 0.65149869 0.05885435
0.74151799 0.89080682 0.78887239
0.63412222 0.51489230 0.53456742
0.80885695 0.76688590 0.43232502
0.05243605 0.67596923 0.97299580
0.73052422 0.62361730 0.45960936
No title
1
14.701417 0.119846 -0.251006
0.118026 13.962931 -0.157136
-0.246035 -0.157017 13.999607
C H O N
43 30 7 2
Direct configuration= 29
0.76279678 0.56590441 0.38218798
0.74303965 0.46784833 0.37453412
0.78544894 0.40857255 0.30744845
0.81577529 0.60506883 0.31190926
0.85380924 0.54587551 0.24200859
0.84779188 0.44613342 0.24570313
0.99540437 0.39097388 0.19471326
0.04787521 0.30790470 0.17796276
0.14304826 0.30881134 0.19032566
0.04172247 0.47606867 0.21673814
0.13613402 0.47543420 0.22865031
0.19039854 0.39273772 0.21760179
0.29487755 0.39910701 0.24305143
0.34559624 0.46129636 0.16978272
0.34377236 0.56247717 0.17484463
0.38928673 0.61790505 0.10998429
0.39727115 0.41936209 0.09616082
0.44339253 0.47417665 0.03109018
0.43940769 0.57370744 0.03806080
0.56938152 0.65938449 0.00248590
0.58027384 0.75460232 0.03335761
0.66620597 0.78461477 0.06603310
0.64401735 0.59635733 0.99717834
0.72937010 0.62703925 0.03051433
0.73926700 0.71969935 0.06805002
0.30630362 0.44471419 0.34640678
0.33912501 0.29772909 0.24815018
0.08156217 0.73603879 0.90133314
0.96117317 0.68933538 -0.00875087
0.92350514 0.75773624 0.91764066
0.83729843 0.79218966 0.88886876
0.83070127 0.85866383 0.81452594
0.70265900 0.82788638 0.72039968
0.63762744 0.76228179 0.74660494
0.61627454 0.68397614 0.68526794
0.66072010 0.67517475 0.59930697
0.66893221 0.59287013 0.53046266
0.75835689 0.71966286 0.47899095
0.71581763 0.74839785 0.56963787
0.73586348 0.82751028 0.62721317
0.90678263 0.89205173 0.76931374
0.99246027 0.85455344 0.79606264
-0.00128707 0.78789857 0.86773478
0.76955860 0.33250700 0.30398838
0.69734191 0.43738465 0.42436616
0.83247718 0.68059994 0.31230748
0.88725759 0.58003287 0.18411809
0.17800394 0.23976585 0.18156685
0.01422414 0.24108462 0.15731437
0.00651754 0.54416265 0.22683027
0.16551504 0.54379839 0.25092621
0.38611112 0.69618051 0.11398906
0.30704912 0.60167148 0.23032537
0.40402491 0.34177226 0.08741785
0.48247715 0.44034661 0.97404976
0.67631650 0.85920370 0.08762452
0.52116092 0.80363967 0.02948264
0.63474929 0.52557960 0.96452482
0.78948120 0.58050916 0.02474442
0.37863253 0.45001761 0.36875927
0.27384792 0.39986245 0.39881157
0.27589477 0.51686688 0.35459772
0.41177034 0.30237989 0.26932960
0.33414390 0.25599550 0.18038833
0.30751694 0.25531837 0.30310055
0.77222411 0.77428631 0.91909906
0.60665821 0.77040836 0.81610929
0.56959948 0.62938858 0.70837901
0.78032293 0.88499729 0.60547739
0.89889091 0.94601271 0.71478698
0.05354663 0.87638932 0.76131206
0.09572024 0.63360558 0.01322699
0.80649143 0.74127680 0.09379208
0.90029050 0.38214327 0.19042156
0.48269334 0.62930000 0.97114495
0.15940056 0.74260881 0.87335468
0.92531305 0.65179679 0.05868648
0.74152860 0.89081424 0.78890567
0.63415432 0.51490799 0.53447977
0.80875659 0.76688363 0.43253668
0.05279074 0.67599194 0.97287592
0.73035149 0.62369684 0.45955767
No title
1
14.722775 0.130939 -0.272722
0.129002 13.950539 -0.160901
-0.267070 -0.160609 14.004857
C H O N
43 30 7 2
Direct configuration= 30
0.76256797 0.56560581 0.38205334
0.74305505 0.46724121 0.37455591
0.78594758 0.40814551 0.30761383
0.81551687 0.60492846 0.31175008
0.85390327 0.54584861 0.24185819
0.84800825 0.44596419 0.24592205
0.99553319 0.39136100 0.19517841
0.04794611 0.30819371 0.17831650
0.14303513 0.30897063 0.19018309
0.04175111 0.47642403 0.21712340
0.13616213 0.47547134 0.22854339
0.19072709 0.39274078 0.21743402
0.29485931 0.39897254 0.24283333
0.34549403 0.46100317 0.16988809
0.34381972 0.56239795 0.17469078
0.38912393 0.61786029 0.10993242
0.39712260 0.41934700 0.09609482
0.44312689 0.47404691 0.03112182
0.43908203 0.57365351 0.03806937
0.56879332 0.65953271 0.00270379
0.57966625 0.75451317 0.03327322
0.66552987 0.78472018 0.06634519
0.64324974 0.59629795 0.99725957
0.72844950 0.62702255 0.03079170
0.73863869 0.72010586 0.06891493
0.30641471 0.44460096 0.34624776
0.33910195 0.29749640 0.24815142
0.08221313 0.73616469 0.90123335
0.96200554 0.68927212 -0.00908643
0.92433331 0.75777607 0.91670783
0.83776550 0.79241815 0.88842447
0.83064064 0.85920085 0.81473806
0.70285321 0.82780318 0.72039938
0.63825725 0.76237713 0.74666710
0.61651401 0.68413669 0.68511750
0.66054634 0.67534638 0.59895428
0.66883799 0.59343838 0.53001834
0.75783548 0.71904239 0.47893216
0.71577822 0.74828267 0.56965079
0.73629418 0.82732592 0.62777899
0.90657215 0.89197815 0.76927225
0.99263024 0.85490135 0.79540497
-0.00107910 0.78826575 0.86740465
0.77049797 0.33209325 0.30423062
0.69723404 0.43715141 0.42426302
0.83101971 0.68081740 0.31250955
0.88722308 0.57998368 0.18404949
0.17776015 0.23984835 0.18112285
0.01407913 0.24172890 0.15780349
0.00647336 0.54464604 0.22730712
0.16606269 0.54384407 0.25058767
0.38601615 0.69606091 0.11435584
0.30711067 0.60155107 0.23025278
0.40378093 0.34161025 0.08716930
0.48227252 0.44023070 0.97437350
0.67530612 0.85929517 0.08825562
0.52104041 0.80344519 0.02960831
0.63388341 0.52531504 0.96441879
0.78836418 0.58064092 0.02556949
0.37879149 0.44980816 0.36852999
0.27398008 0.39953398 0.39832882
0.27594592 0.51687759 0.35434394
0.41167158 0.30255631 0.26932920
0.33404144 0.25561589 0.18053907
0.30745939 0.25560936 0.30319800
0.77359270 0.77289322 0.91952356
0.60795764 0.77045631 0.81649170
0.56979741 0.62964856 0.70789202
0.78123354 0.88421558 0.60569524
0.89836920 0.94574415 0.71473899
0.05387067 0.87704647 0.76098127
0.09724768 0.63362810 0.01266359
0.80547396 0.74090689 0.09492695
0.90066757 0.38249626 0.19110127
0.48233024 0.62894080 0.97139738
0.15901680 0.74314105 0.87291018
0.92529666 0.65274103 0.05783216
0.74180037 0.89089309 0.78890907
0.63394769 0.51445576 0.53424352
0.80886890 0.76733259 0.43285186
0.05413514 0.67619373 0.97239409
0.72980137 0.62372858 0.45908968
No title
1
14.729898 0.134638 -0.279964
0.132663 13.946406 -0.162157
-0.274086 -0.161807 14.006609
C H O N
43 30 7 2
Direct configuration= 31
0.76249177 0.56550618 0.38200831
0.74306035 0.46703854 0.37456313
0.78611383 0.40800283 0.30766918
0.81543077 0.60488166 0.31169686
0.85393452 0.54583960 0.24180810
0.84808046 0.44590766 0.24599514
0.99557621 0.39149023 0.19533359
0.04796982 0.30829020 0.17843450
0.14303065 0.30902380 0.19013557
0.04176075 0.47654268 0.21725190
0.13617143 0.47548372 0.22850777
0.19083643 0.39274170 0.21737825
0.29485317 0.39892763 0.24276060
0.34546011 0.46090533 0.16992314
0.34383544 0.56237148 0.17463950
0.38906969 0.61784538 0.10991505
0.39707310 0.41934199 0.09607274
0.44303847 0.47400366 0.03113222
0.43897359 0.57363558 0.03807206
0.56859748 0.65958235 0.00277615
0.57946388 0.75448356 0.03324477
0.66530482 0.78475557 0.06644891
0.64299414 0.59627833 0.99728625
0.72814304 0.62701723 0.03088370
0.73842975 0.72024179 0.06920301
0.30645166 0.44456312 0.34619479
0.33909432 0.29741873 0.24815180
0.08242986 0.73620655 0.90120042
0.96228261 0.68925076 -0.00919789
0.92460868 0.75778908 0.91639724
0.83792079 0.79249427 0.88827659
0.83062041 0.85938015 0.81480880
0.70291792 0.82777536 0.72039937
0.63846701 0.76240880 0.74668815
0.61659365 0.68419021 0.68506748
0.66048826 0.67540368 0.59883663
0.66880626 0.59362807 0.52987021
0.75766195 0.71883539 0.47891225
0.71576513 0.74824423 0.56965506
0.73643794 0.82726432 0.62796783
0.90650205 0.89195364 0.76925830
0.99268645 0.85501739 0.79518582
-0.00101009 0.78838825 0.86729471
0.77081104 0.33195491 0.30431182
0.69719812 0.43707357 0.42422856
0.83053435 0.68089038 0.31257621
0.88721157 0.57996726 0.18402659
0.17767872 0.23987592 0.18097470
0.01403090 0.24194405 0.15796655
0.00645875 0.54480745 0.22746612
0.16624492 0.54385915 0.25047508
0.38598472 0.69602104 0.11447807
0.30713117 0.60151086 0.23022860
0.40369959 0.34155621 0.08708629
0.48220455 0.44019209 0.97448133
0.67496989 0.85932601 0.08846553
0.52100038 0.80338030 0.02965013
0.63359505 0.52522694 0.96438297
0.78799252 0.58068526 0.02584402
0.37884438 0.44973818 0.36845361
0.27402395 0.39942426 0.39816790
0.27596283 0.51688114 0.35425935
0.41163864 0.30261523 0.26932903
0.33400748 0.25548920 0.18058924
0.30744020 0.25570652 0.30323048
0.77404906 0.77242786 0.91966566
0.60839058 0.77047201 0.81661985
0.56986303 0.62973526 0.70772978
0.78153711 0.88395441 0.60576826
0.89819548 0.94565463 0.71472270
0.05397827 0.87726573 0.76087120
0.09775612 0.63363519 0.01247652
0.80513572 0.74078376 0.09530477
0.90079339 0.38261406 0.19132812
0.48220951 0.62882101 0.97148133
0.15888864 0.74331878 0.87276183
0.92529056 0.65305617 0.05754739
0.74189087 0.89091935 0.78891035
0.63387887 0.51430483 0.53416460
0.80890634 0.76748246 0.43295704
0.05458261 0.67626071 0.97223414
0.72961792 0.62373928 0.45893337
No title
1
14.741745 0.142918 -0.299107
0.140971 13.925171 -0.164395
-0.292623 -0.163821 14.004418
C H O N
43 30 7 2
Direct configuration= 32
0.76232640 0.56510463 0.38172611
0.74321562 0.46654858 0.37458915
0.78661413 0.40761863 0.30784866
0.81516271 0.60466443 0.31149103
0.85392249 0.54579570 0.24181161
0.84833275 0.44594635 0.24618110
0.99570550 0.39192339 0.19580880
0.04800948 0.30877847 0.17881870
0.14311260 0.30927047 0.19006412
0.04184939 0.47689614 0.21762666
0.13624351 0.47565935 0.22845263
0.19108244 0.39293777 0.21732538
0.29497075 0.39878446 0.24266317
0.34540005 0.46070131 0.16990025
0.34380353 0.56226967 0.17453826
0.38885591 0.61774799 0.10992759
0.39684756 0.41917381 0.09604280
0.44266615 0.47385033 0.03126030
0.43854547 0.57350214 0.03809121
0.56790364 0.65955668 0.00274061
0.57892412 0.75453750 0.03319471
0.66445168 0.78488561 0.06678329
0.64237996 0.59625218 0.99731847
0.72705971 0.62717426 0.03126505
0.73745749 0.72015420 0.06974246
0.30658391 0.44437390 0.34585779
0.33906805 0.29729600 0.24818496
0.08284556 0.73658103 0.90090463
0.96295784 0.68921822 -0.00947537
0.92515204 0.75796119 0.91529221
0.83821064 0.79264913 0.88818942
0.83047258 0.85954442 0.81539697
0.70341159 0.82790537 0.72010000
0.63881218 0.76217273 0.74667484
0.61669339 0.68429599 0.68514313
0.66028750 0.67561981 0.59867491
0.66835454 0.59355772 0.52951604
0.75750909 0.71884247 0.47868423
0.71593160 0.74846946 0.56990308
0.73701233 0.82717491 0.62832722
0.90637981 0.89199151 0.76933038
0.99276881 0.85543234 0.79461004
-0.00041964 0.78878290 0.86667018
0.77187660 0.33142052 0.30458347
0.69707969 0.43672252 0.42407510
0.82892860 0.68102616 0.31269083
0.88733851 0.57979202 0.18405810
0.17764966 0.24001410 0.18049524
0.01382249 0.24240651 0.15848206
0.00643260 0.54510017 0.22799091
0.16686603 0.54382770 0.25004865
0.38586251 0.69589946 0.11490806
0.30722762 0.60121226 0.23009225
0.40334763 0.34147017 0.08697820
0.48192916 0.43997919 0.97487244
0.67400419 0.85950659 0.08920772
0.52084155 0.80325528 0.02985072
0.63281638 0.52499258 0.96445897
0.78690378 0.58065195 0.02667809
0.37892720 0.44949952 0.36806715
0.27413505 0.39909888 0.39755397
0.27605268 0.51672052 0.35383468
0.41147872 0.30283061 0.26923332
0.33385214 0.25527871 0.18082383
0.30730571 0.25602859 0.30325619
0.77583313 0.77103010 0.92006990
0.60971613 0.77038884 0.81692329
0.57016839 0.63007314 0.70718220
0.78221912 0.88280120 0.60606185
0.89767446 0.94553820 0.71449852
0.05416323 0.87784920 0.76055614
0.09889956 0.63388388 0.01177154
0.80445354 0.74071355 0.09655874
0.90121760 0.38302659 0.19190025
0.48186725 0.62851885 0.97182232
0.15920694 0.74370729 0.87231263
0.92556194 0.65384841 0.05656893
0.74218882 0.89116919 0.78879502
0.63400021 0.51477392 0.53384522
0.80854870 0.76745593 0.43366901
0.05572921 0.67628769 0.97215343
0.72904474 0.62351890 0.45813138
No title
1
14.747855 0.147188 -0.308980
0.145256 13.914219 -0.165550
-0.302184 -0.164860 14.003288
C H O N
43 30 7 2
Direct configuration= 33
0.76224111 0.56489723 0.38158039
0.74329581 0.46629544 0.37460264
0.78687219 0.40742003 0.30794157
0.81502449 0.60455229 0.31138464
0.85391630 0.54577303 0.24181341
0.84846288 0.44596627 0.24627721
0.99577231 0.39214715 0.19605407
0.04803002 0.30903070 0.17901696
0.14315472 0.30939785 0.19002734
0.04189521 0.47707872 0.21782008
0.13628058 0.47575004 0.22842425
0.19120912 0.39303898 0.21729830
0.29503132 0.39871046 0.24261299
0.34536914 0.46059593 0.16988838
0.34378705 0.56221708 0.17448601
0.38874577 0.61769774 0.10993390
0.39673135 0.41908700 0.09602718
0.44247439 0.47377124 0.03132610
0.43832487 0.57343334 0.03810078
0.56754604 0.65954362 0.00272180
0.57864590 0.75456552 0.03316852
0.66401217 0.78495306 0.06695520
0.64206345 0.59623885 0.99733466
0.72650159 0.62725572 0.03146103
0.73695679 0.72010928 0.07002006
0.30665190 0.44427610 0.34568402
0.33905456 0.29723262 0.24820204
0.08305950 0.73677433 0.90075235
0.96330565 0.68920120 -0.00961804
0.92543130 0.75804986 0.91472255
0.83835992 0.79272903 0.88814466
0.83039673 0.85962936 0.81570030
0.70366579 0.82797236 0.71994592
0.63899013 0.76205069 0.74666819
0.61674482 0.68435061 0.68518223
0.66018386 0.67573149 0.59859137
0.66812153 0.59352149 0.52933302
0.75743017 0.71884616 0.47856649
0.71601749 0.74858578 0.57003115
0.73730862 0.82712859 0.62851301
0.90631685 0.89201112 0.76936749
0.99281076 0.85564663 0.79431311
-0.00011586 0.78898654 0.86634844
0.77242610 0.33114418 0.30472430
0.69701866 0.43654120 0.42399582
0.82810107 0.68109678 0.31274885
0.88740401 0.57970146 0.18407443
0.17763433 0.24008546 0.18024789
0.01371528 0.24264550 0.15874789
0.00641938 0.54525141 0.22826164
0.16718586 0.54381124 0.24982910
0.38579985 0.69583672 0.11512978
0.30727732 0.60105798 0.23002195
0.40316620 0.34142583 0.08692219
0.48178754 0.43986933 0.97507400
0.67350692 0.85960021 0.08958993
0.52075986 0.80319076 0.02995408
0.63241519 0.52487175 0.96449762
0.78634323 0.58063513 0.02710760
0.37896970 0.44937618 0.36786783
0.27419200 0.39893073 0.39723731
0.27609875 0.51663750 0.35361566
0.41139617 0.30294191 0.26918386
0.33377230 0.25517003 0.18094472
0.30723632 0.25619500 0.30326939
0.77675327 0.77030758 0.92027955
0.61039950 0.77034551 0.81708073
0.57032531 0.63024754 0.70689996
0.78257114 0.88220532 0.60621367
0.89740583 0.94547820 0.71438250
0.05425817 0.87815052 0.76039379
0.09948833 0.63401196 0.01140868
0.80410280 0.74067758 0.09720514
0.90143648 0.38323960 0.19219572
0.48169117 0.62836288 0.97199795
0.15937057 0.74390785 0.87208116
0.92570094 0.65425750 0.05606443
0.74234223 0.89129815 0.78873575
0.63406240 0.51501618 0.53368059
0.80836486 0.76744239 0.43403605
0.05632007 0.67630128 0.97211260
0.72874889 0.62340517 0.45771724
No title
1
14.756444 0.154540 -0.326909
0.152589 13.899760 -0.167119
-0.319511 -0.166279 14.000481
C H O N
43 30 7 2
Direct configuration= 34
0.76213579 0.56446778 0.38110291
0.74354337 0.46578826 0.37459675
0.78744893 0.40713755 0.30811375
0.81455000 0.60434633 0.31129728
0.85384348 0.54590704 0.24190252
0.84864439 0.44603524 0.24663214
0.99591327 0.39265912 0.19658825
0.04815049 0.30947701 0.17938027
0.14327380 0.30969012 0.19001799
0.04214877 0.47754575 0.21822137
0.13648589 0.47611660 0.22844428
0.19122303 0.39331778 0.21726157
0.29521087 0.39866368 0.24249271
0.34535289 0.46048959 0.16969167
0.34367941 0.56200861 0.17443459
0.38845235 0.61755514 0.11004166
0.39637949 0.41881248 0.09608515
0.44199832 0.47349771 0.03151669
0.43781973 0.57327656 0.03821802
0.56691289 0.65930860 0.00251848
0.57823944 0.75458801 0.03317867
0.66307498 0.78516280 0.06737945
0.64126962 0.59612397 0.99722493
0.72558828 0.62730310 0.03195267
0.73603822 0.71994575 0.07052971
0.30682901 0.44403219 0.34522195
0.33899560 0.29725068 0.24826401
0.08355847 0.73725177 0.90028979
0.96438902 0.68980552 -0.01094112
0.92611166 0.75814879 0.91376305
0.83898930 0.79255308 0.88852352
0.83048195 0.85979068 0.81609940
0.70408936 0.82805286 0.71991326
0.63950485 0.76200732 0.74657438
0.61692280 0.68444048 0.68508433
0.66010481 0.67616387 0.59852568
0.66791071 0.59409044 0.52891767
0.75699387 0.71888954 0.47884598
0.71615542 0.74847192 0.57018113
0.73789390 0.82691599 0.62852535
0.90608675 0.89222554 0.76952889
0.99297370 0.85620498 0.79377443
0.00060665 0.78922017 0.86563090
0.77365880 0.33040225 0.30501484
0.69697517 0.43606209 0.42371560
0.82636217 0.68119226 0.31273022
0.88763771 0.57940779 0.18424025
0.17779259 0.24025566 0.17971712
0.01347939 0.24297906 0.15931560
0.00642599 0.54547303 0.22887585
0.16785944 0.54383200 0.24933829
0.38564446 0.69582278 0.11561885
0.30736072 0.60068216 0.22990608
0.40272370 0.34122131 0.08691831
0.48145013 0.43951989 0.97549594
0.67251892 0.85985118 0.09045395
0.52022100 0.80339167 0.03020054
0.63172466 0.52471117 0.96477704
0.78522105 0.58045121 0.02797967
0.37901638 0.44910188 0.36736669
0.27430136 0.39859064 0.39651814
0.27621468 0.51636849 0.35303343
0.41125436 0.30315280 0.26904828
0.33355468 0.25502111 0.18115020
0.30703752 0.25647119 0.30330387
0.77857315 0.76881885 0.92081725
0.61174782 0.77014102 0.81735536
0.57051237 0.63040943 0.70641485
0.78337171 0.88106652 0.60649968
0.89681749 0.94547773 0.71404071
0.05417667 0.87870284 0.76006048
0.10069905 0.63414221 0.01087080
0.80333343 0.74075265 0.09847570
0.90188945 0.38348391 0.19253851
0.48116885 0.62816759 0.97222444
0.16022782 0.74419209 0.87165489
0.92587314 0.65445874 0.05574445
0.74250843 0.89177316 0.78853922
0.63390313 0.51508499 0.53334080
0.80814436 0.76746089 0.43453772
0.05658124 0.67673058 0.97196784
0.72810781 0.62335687 0.45690953
No title
1
14.758442 0.156250 -0.331079
0.154295 13.896397 -0.167484
-0.323541 -0.166610 13.999828
C H O N
43 30 7 2
Direct configuration= 35
0.76211122 0.56436779 0.38099179
0.74360097 0.46567015 0.37459544
0.78758308 0.40707171 0.30815397
0.81443970 0.60429843 0.31127681
0.85382655 0.54593825 0.24192324
0.84868667 0.44605129 0.24671477
0.99594612 0.39277831 0.19671258
0.04817854 0.30958092 0.17946483
0.14330145 0.30975815 0.19001586
0.04220777 0.47765447 0.21831481
0.13653358 0.47620193 0.22844901
0.19122621 0.39338269 0.21725304
0.29525258 0.39865276 0.24246478
0.34534907 0.46046482 0.16964590
0.34365440 0.56196009 0.17442260
0.38838418 0.61752198 0.11006664
0.39629775 0.41874860 0.09609852
0.44188774 0.47343409 0.03156089
0.43770235 0.57324012 0.03824514
0.56676568 0.65925395 0.00247099
0.57814496 0.75459329 0.03318091
0.66285722 0.78521175 0.06747788
0.64108507 0.59609732 0.99719917
0.72537611 0.62731424 0.03206677
0.73582485 0.71990779 0.07064799
0.30687009 0.44397537 0.34511450
0.33898190 0.29725489 0.24827841
0.08367427 0.73736287 0.90018234
0.96464042 0.68994607 -0.01124859
0.92626954 0.75817172 0.91354003
0.83913574 0.79251204 0.88861184
0.83050185 0.85982824 0.81619228
0.70418781 0.82807155 0.71990578
0.63962448 0.76199716 0.74655270
0.61696414 0.68446138 0.68506161
0.66008637 0.67626455 0.59851039
0.66786152 0.59422293 0.52882100
0.75689252 0.71889970 0.47891087
0.71618753 0.74844540 0.57021606
0.73802998 0.82686642 0.62852839
0.90603328 0.89227549 0.76956638
0.99301136 0.85633495 0.79364918
0.00077437 0.78927446 0.86546419
0.77394551 0.33022937 0.30508277
0.69696504 0.43595054 0.42365039
0.82595793 0.68121469 0.31272538
0.88769211 0.57933939 0.18427888
0.17782922 0.24029525 0.17959369
0.01342468 0.24305676 0.15944761
0.00642766 0.54552464 0.22901875
0.16801588 0.54383675 0.24922431
0.38560848 0.69581956 0.11573258
0.30738012 0.60059464 0.22987914
0.40262086 0.34117374 0.08691727
0.48137186 0.43943858 0.97559400
0.67228945 0.85990975 0.09065467
0.52009579 0.80343852 0.03025772
0.63156423 0.52467387 0.96484183
0.78496045 0.58040854 0.02818222
0.37902712 0.44903800 0.36725011
0.27432662 0.39851143 0.39635086
0.27624150 0.51630583 0.35289801
0.41122134 0.30320192 0.26901671
0.33350417 0.25498647 0.18119794
0.30699129 0.25653552 0.30331184
0.77899652 0.76847202 0.92094283
0.61206135 0.77009325 0.81741964
0.57055570 0.63044709 0.70630206
0.78355802 0.88080129 0.60656642
0.89668063 0.94547768 0.71396103
0.05415757 0.87883144 0.75998292
0.10098033 0.63417238 0.01074602
0.80315492 0.74077025 0.09877106
0.90199481 0.38354074 0.19261840
0.48104752 0.62812219 0.97227698
0.16042695 0.74425815 0.87155599
0.92591306 0.65450556 0.05567007
0.74254695 0.89188374 0.78849356
0.63386601 0.51510102 0.53326171
0.80809324 0.76746524 0.43465437
0.05664186 0.67683050 0.97193425
0.72795857 0.62334568 0.45672143
No title
1
14.764692 0.160897 -0.344757
0.158980 13.891301 -0.165957
-0.336822 -0.165025 13.995394
C H O N
43 30 7 2
Direct configuration= 36
0.76188120 0.56402703 0.38063744
0.74384985 0.46514971 0.37458345
0.78812871 0.40666112 0.30832652
0.81385192 0.60430127 0.31120511
0.85372514 0.54612530 0.24207119
0.84890242 0.44611441 0.24710204
0.99621670 0.39324176 0.19722848
0.04832420 0.30980800 0.17974477
0.14339988 0.30995151 0.19002658
0.04255080 0.47818394 0.21872064
0.13680042 0.47664514 0.22851085
0.19116535 0.39365736 0.21720817
0.29533873 0.39875002 0.24218368
0.34525328 0.46035294 0.16946568
0.34351772 0.56170912 0.17437247
0.38803622 0.61746356 0.11026027
0.39591960 0.41842157 0.09613839
0.44138881 0.47310112 0.03174149
0.43721346 0.57304851 0.03843593
0.56624896 0.65906752 0.00223683
0.57754256 0.75458426 0.03318052
0.66214107 0.78542075 0.06798398
0.64030808 0.59596088 0.99706453
0.72465604 0.62710128 0.03253790
0.73522463 0.72000533 0.07127780
0.30704442 0.44374147 0.34463981
0.33886902 0.29733883 0.24832313
0.08474359 0.73784976 0.89944345
0.96486297 0.69015049 -0.01167854
0.92733062 0.75814100 0.91291549
0.84010289 0.79226859 0.88902279
0.83075771 0.85999098 0.81637686
0.70450785 0.82805392 0.72000913
0.64031069 0.76222247 0.74649438
0.61722140 0.68457620 0.68477969
0.66008099 0.67661233 0.59840454
0.66765318 0.59462607 0.52829125
0.75646577 0.71890354 0.47924684
0.71629515 0.74813073 0.57023683
0.73836697 0.82640668 0.62848790
0.90579403 0.89272903 0.76966464
0.99312783 0.85686405 0.79333745
0.00138895 0.78949042 0.86461456
0.77526846 0.32950301 0.30536552
0.69705116 0.43541486 0.42325169
0.82426184 0.68127600 0.31257587
0.88798053 0.57901782 0.18454249
0.17810696 0.24054334 0.17907751
0.01324875 0.24334161 0.16003952
0.00646606 0.54577673 0.22968099
0.16870760 0.54406680 0.24876601
0.38543445 0.69586730 0.11622169
0.30739370 0.60024220 0.22987816
0.40213757 0.34077430 0.08700279
0.48099825 0.43898610 0.97599748
0.67133390 0.86015684 0.09154555
0.51930988 0.80383619 0.03051174
0.63099681 0.52447671 0.96522615
0.78395619 0.58007540 0.02902922
0.37911338 0.44875694 0.36673578
0.27444009 0.39818358 0.39561673
0.27636175 0.51601181 0.35224024
0.41116341 0.30335930 0.26889783
0.33324643 0.25487168 0.18131841
0.30677909 0.25673196 0.30337394
0.78045721 0.76696998 0.92168311
0.61330984 0.76979828 0.81762781
0.57058368 0.63038455 0.70594029
0.78460985 0.88002240 0.60672410
0.89604969 0.94552167 0.71364494
0.05390688 0.87939353 0.75955703
0.10185658 0.63438762 0.01025437
0.80216037 0.74085914 0.09985795
0.90231598 0.38363522 0.19277437
0.48027896 0.62803238 0.97231019
0.16113265 0.74435654 0.87143707
0.92679044 0.65493734 0.05450838
0.74266753 0.89245008 0.78835373
0.63363842 0.51529368 0.53293488
0.80793495 0.76748417 0.43501288
0.05682277 0.67748997 0.97164021
0.72726449 0.62368509 0.45624555
No title
1
14.767946 0.163316 -0.351878
0.161418 13.888648 -0.165162
-0.343735 -0.164201 13.993085
C H O N
43 30 7 2
Direct configuration= 37
0.76176140 0.56384964 0.38045282
0.74397945 0.46487865 0.37457737
0.78841279 0.40644719 0.30841667
0.81354602 0.60430284 0.31116748
0.85367240 0.54622272 0.24214817
0.84901486 0.44614722 0.24730381
0.99635766 0.39348303 0.19749724
0.04840009 0.30992621 0.17989060
0.14345107 0.31005218 0.19003220
0.04272940 0.47845958 0.21893211
0.13693922 0.47687591 0.22854317
0.19113361 0.39380041 0.21718476
0.29538341 0.39880067 0.24203733
0.34520336 0.46029471 0.16937179
0.34344662 0.56157845 0.17434631
0.38785526 0.61743319 0.11036094
0.39572289 0.41825133 0.09615898
0.44112932 0.47292780 0.03183531
0.43695918 0.57294880 0.03853506
0.56598000 0.65897053 0.00211464
0.57722909 0.75457966 0.03318002
0.66176861 0.78552967 0.06824716
0.63990372 0.59588996 0.99699403
0.72428160 0.62699046 0.03278290
0.73491258 0.72005618 0.07160547
0.30713494 0.44361967 0.34439273
0.33881029 0.29738255 0.24834636
0.08529960 0.73810319 0.89905918
0.96497854 0.69025694 -0.01190233
0.92788247 0.75812487 0.91259080
0.84060640 0.79214162 0.88923730
0.83089092 0.86007567 0.81647309
0.70467444 0.82804467 0.72006310
0.64066770 0.76233969 0.74646434
0.61735512 0.68463596 0.68463300
0.66007808 0.67679345 0.59834940
0.66754445 0.59483608 0.52801525
0.75624386 0.71890559 0.47942158
0.71635121 0.74796684 0.57024773
0.73854239 0.82616721 0.62846701
0.90566951 0.89296525 0.76971566
0.99318821 0.85713959 0.79317515
0.00170831 0.78960283 0.86417242
0.77595713 0.32912451 0.30551347
0.69709588 0.43513591 0.42304414
0.82337918 0.68130822 0.31249716
0.88813079 0.57885029 0.18467993
0.17825120 0.24067252 0.17880883
0.01315743 0.24348994 0.16034765
0.00648632 0.54590797 0.23002586
0.16906730 0.54418652 0.24852769
0.38534411 0.69589216 0.11647631
0.30740083 0.60005866 0.22987768
0.40188620 0.34056636 0.08704710
0.48080411 0.43875050 0.97620743
0.67083705 0.86028562 0.09200898
0.51890097 0.80404340 0.03064360
0.63070176 0.52437410 0.96542601
0.78343406 0.57990202 0.02946981
0.37915806 0.44861059 0.36646801
0.27449884 0.39801287 0.39523451
0.27642406 0.51585871 0.35189778
0.41113318 0.30344127 0.26883589
0.33311239 0.25481194 0.18138102
0.30666866 0.25683430 0.30340616
0.78121790 0.76618749 0.92206942
0.61395966 0.76964445 0.81773687
0.57059808 0.63035199 0.70575192
0.78515740 0.87961659 0.60680679
0.89572121 0.94554470 0.71348001
0.05377613 0.87968632 0.75933508
0.10231228 0.63449960 0.00999877
0.80164335 0.74090553 0.10042344
0.90248316 0.38368435 0.19285574
0.47987906 0.62798573 0.97232711
0.16149980 0.74440766 0.87137549
0.92724638 0.65516213 0.05390385
0.74273012 0.89274500 0.78828094
0.63351981 0.51539408 0.53276457
0.80785275 0.76749403 0.43519949
0.05691666 0.67783338 0.97148714
0.72690302 0.62386199 0.45599736
No title
1
14.777995 0.166812 -0.367315
0.165010 13.889487 -0.163881
-0.358696 -0.162857 13.991153
C H O N
43 30 7 2
Direct configuration= 38
0.76118128 0.56372368 0.38049543
0.74424910 0.46436955 0.37454569
0.78898017 0.40579590 0.30865202
0.81282011 0.60444487 0.31095430
0.85352624 0.54628328 0.24241984
0.84940444 0.44617433 0.24760161
0.99688614 0.39377029 0.19796200
0.04851813 0.31008070 0.18017019
0.14353139 0.31011161 0.19003334
0.04303439 0.47898213 0.21936624
0.13728802 0.47736035 0.22862527
0.19115359 0.39404798 0.21708394
0.29525037 0.39895791 0.24152765
0.34490991 0.46006643 0.16929734
0.34324034 0.56138228 0.17435755
0.38749607 0.61750043 0.11057286
0.39532207 0.41776256 0.09611276
0.44063395 0.47263074 0.03194835
0.43645773 0.57269844 0.03876608
0.56521725 0.65912281 0.00188555
0.57623064 0.75469258 0.03319661
0.66117967 0.78561173 0.06882201
0.63943110 0.59580196 0.99701789
0.72347178 0.62688456 0.03335103
0.73423380 0.72013444 0.07223222
0.30729202 0.44344258 0.34390808
0.33864384 0.29744932 0.24830391
0.08581546 0.73840677 0.89853613
0.96546220 0.69071301 -0.01275256
0.92912732 0.75809056 0.91222544
0.84169644 0.79202640 0.88936514
0.83117237 0.86017355 0.81666297
0.70516778 0.82814071 0.72006231
0.64130179 0.76243738 0.74649105
0.61755764 0.68481550 0.68447567
0.65996923 0.67659055 0.59803028
0.66705033 0.59469225 0.52746727
0.75625077 0.71903781 0.47921470
0.71654418 0.74783794 0.57026068
0.73886486 0.82572877 0.62853107
0.90560920 0.89365273 0.76970593
0.99303071 0.85775844 0.79297072
0.00248680 0.78977948 0.86322109
0.77751645 0.32845517 0.30582450
0.69730597 0.43446573 0.42255449
0.82159189 0.68147907 0.31219698
0.88848072 0.57855967 0.18503406
0.17863957 0.24109283 0.17828405
0.01305450 0.24378938 0.16101910
0.00658041 0.54631175 0.23081924
0.16985768 0.54474982 0.24809110
0.38512805 0.69592451 0.11699554
0.30732091 0.59970379 0.23003506
0.40130663 0.33995669 0.08723610
0.48034050 0.43816779 0.97661812
0.66979429 0.86048086 0.09299719
0.51799258 0.80443209 0.03091502
0.63015808 0.52397781 0.96587286
0.78258048 0.57928051 0.03038633
0.37936751 0.44829927 0.36593450
0.27463260 0.39765603 0.39445134
0.27655464 0.51556919 0.35113841
0.41112865 0.30353045 0.26874205
0.33279357 0.25471944 0.18143551
0.30646241 0.25700129 0.30349675
0.78261574 0.76463412 0.92301247
0.61522350 0.76924896 0.81788949
0.57064137 0.63025573 0.70541895
0.78642119 0.87896132 0.60689316
0.89496322 0.94567199 0.71319559
0.05343077 0.88040425 0.75867559
0.10256897 0.63512507 0.00926585
0.80050853 0.74103675 0.10150960
0.90267937 0.38383139 0.19298418
0.47885929 0.62797312 0.97220202
0.16291397 0.74440541 0.87126360
0.92796651 0.65517918 0.05312333
0.74298756 0.89324010 0.78826460
0.63333927 0.51606143 0.53235905
0.80751513 0.76733232 0.43566576
0.05800014 0.67845190 0.97109732
0.72613308 0.62434060 0.45568059
No title
1
14.780321 0.167622 -0.370888
0.165841 13.889682 -0.163584
-0.362159 -0.162547 13.990706
C H O N
43 30 7 2
Direct configuration= 39
0.76104710 0.56369455 0.38050515
0.74431150 0.46425169 0.37453844
0.78911151 0.40564511 0.30870667
0.81265213 0.60447779 0.31090476
0.85349249 0.54629730 0.24248270
0.84949463 0.44618058 0.24767065
0.99700848 0.39383674 0.19806973
0.04854550 0.31011645 0.18023495
0.14354997 0.31012536 0.19003362
0.04310502 0.47910305 0.21946681
0.13736870 0.47747247 0.22864435
0.19115818 0.39410529 0.21706060
0.29521947 0.39899433 0.24140961
0.34484202 0.46001361 0.16928004
0.34319263 0.56133689 0.17436010
0.38741303 0.61751601 0.11062183
0.39522936 0.41764945 0.09610197
0.44051940 0.47256200 0.03197441
0.43634179 0.57264052 0.03881944
0.56504075 0.65915811 0.00183231
0.57599967 0.75471877 0.03320020
0.66104357 0.78563074 0.06895495
0.63932178 0.59578162 0.99702330
0.72328458 0.62686008 0.03348237
0.73407692 0.72015257 0.07237715
0.30732825 0.44340160 0.34379592
0.33860532 0.29746478 0.24829403
0.08593465 0.73847703 0.89841516
0.96557386 0.69081857 -0.01294929
0.92941520 0.75808256 0.91214116
0.84194864 0.79199966 0.88939501
0.83123752 0.86019618 0.81670700
0.70528189 0.82816291 0.72006225
0.64144848 0.76245996 0.74649739
0.61760445 0.68485705 0.68443929
0.65994398 0.67654360 0.59795637
0.66693590 0.59465900 0.52734028
0.75625231 0.71906842 0.47916680
0.71658883 0.74780809 0.57026372
0.73893950 0.82562727 0.62854599
0.90559521 0.89381186 0.76970364
0.99299420 0.85790170 0.79292334
0.00266665 0.78982036 0.86300103
0.77787727 0.32830015 0.30589691
0.69735449 0.43431060 0.42244119
0.82117836 0.68151872 0.31212703
0.88856177 0.57849237 0.18511615
0.17872927 0.24119011 0.17816264
0.01303082 0.24385868 0.16117451
0.00660234 0.54640519 0.23100293
0.17004038 0.54488017 0.24799020
0.38507819 0.69593200 0.11711570
0.30730248 0.59962165 0.23007148
0.40117264 0.33981560 0.08727973
0.48023338 0.43803293 0.97671309
0.66955330 0.86052609 0.09322571
0.51778248 0.80452210 0.03097762
0.63003243 0.52388610 0.96597619
0.78238328 0.57913667 0.03059833
0.37941585 0.44822721 0.36581104
0.27466338 0.39757344 0.39427006
0.27658468 0.51550218 0.35096264
0.41112758 0.30355110 0.26872032
0.33271984 0.25469804 0.18144805
0.30641471 0.25703995 0.30351767
0.78293941 0.76427447 0.92323119
0.61551592 0.76915735 0.81792515
0.57065132 0.63023346 0.70534188
0.78671360 0.87880958 0.60691349
0.89478780 0.94570150 0.71312955
0.05335069 0.88057046 0.75852281
0.10262814 0.63526985 0.00909622
0.80024627 0.74106716 0.10176078
0.90272478 0.38386541 0.19301397
0.47862335 0.62797026 0.97217281
0.16324108 0.74440482 0.87123805
0.92813291 0.65518311 0.05294281
0.74304708 0.89335468 0.78826087
0.63329737 0.51621592 0.53226511
0.80743715 0.76729489 0.43577363
0.05825065 0.67859502 0.97100732
0.72595487 0.62445143 0.45560705
No title
1
14.786306 0.169324 -0.383872
0.167582 13.893041 -0.164836
-0.374594 -0.163740 13.991016
C H O N
43 30 7 2
Direct configuration= 40
0.76033141 0.56385513 0.38070374
0.74456752 0.46393779 0.37449812
0.78976791 0.40526574 0.30893691
0.81174131 0.60448343 0.31074937
0.85337615 0.54625568 0.24278055
0.84985398 0.44601470 0.24794433
0.99748912 0.39394977 0.19838411
0.04870124 0.31022172 0.18051940
0.14361586 0.31022243 0.19004394
0.04333187 0.47946165 0.21987326
0.13772026 0.47796349 0.22872597
0.19119618 0.39424225 0.21684998
0.29492793 0.39899210 0.24090891
0.34447753 0.45975703 0.16913709
0.34294386 0.56124749 0.17445651
0.38714144 0.61750135 0.11078347
0.39482373 0.41716858 0.09604824
0.44008933 0.47231326 0.03204139
0.43589117 0.57249348 0.03899279
0.56413577 0.65950394 0.00164191
0.57507058 0.75501705 0.03335171
0.66029992 0.78554438 0.06937615
0.63890357 0.59588147 0.99722536
0.72273658 0.62685784 0.03408354
0.73319487 0.72007325 0.07281089
0.30746608 0.44330633 0.34338389
0.33844882 0.29746231 0.24817149
0.08714949 0.73850362 0.89791242
0.96670252 0.69105699 -0.01366724
0.93034197 0.75835408 0.91175304
0.84257605 0.79187841 0.88934181
0.83150911 0.86032834 0.81684397
0.70579003 0.82831978 0.72003181
0.64193059 0.76230500 0.74649402
0.61765925 0.68490063 0.68442301
0.65981804 0.67611808 0.59758429
0.66666036 0.59528540 0.52699640
0.75602831 0.71883619 0.47910323
0.71667347 0.74760513 0.57022630
0.73957575 0.82571349 0.62864913
0.90556722 0.89441128 0.76976830
0.99289690 0.85864531 0.79256674
0.00340712 0.78979725 0.86239033
0.77939768 0.32770268 0.30620385
0.69763344 0.43355579 0.42200318
0.81961250 0.68186916 0.31167325
0.88884448 0.57829721 0.18557318
0.17916695 0.24168000 0.17772249
0.01300195 0.24409403 0.16179997
0.00677980 0.54686661 0.23179782
0.17073895 0.54559578 0.24762316
0.38484952 0.69593896 0.11756434
0.30714498 0.59930953 0.23035856
0.40058669 0.33915481 0.08753145
0.47974407 0.43744505 0.97703885
0.66859157 0.86051239 0.09413473
0.51692727 0.80476652 0.03121793
0.62960886 0.52344217 0.96644661
0.78169615 0.57845016 0.03147810
0.37969123 0.44793399 0.36534133
0.27480598 0.39725682 0.39358224
0.27669769 0.51532822 0.35026903
0.41106562 0.30354073 0.26864904
0.33239193 0.25462761 0.18142440
0.30629309 0.25720736 0.30357102
0.78441894 0.76315210 0.92399614
0.61655725 0.76874707 0.81806621
0.57083171 0.63029934 0.70507916
0.78773749 0.87811657 0.60700884
0.89402766 0.94599666 0.71288951
0.05285868 0.88133057 0.75777019
0.10263948 0.63588228 0.00851960
0.79932718 0.74123667 0.10274720
0.90301229 0.38415076 0.19315045
0.47767130 0.62800579 0.97200867
0.16406406 0.74429349 0.87143690
0.92864016 0.65492308 0.05239912
0.74351923 0.89350263 0.78840024
0.63271874 0.51607229 0.53179677
0.80760423 0.76749606 0.43568380
0.05929040 0.67950208 0.97027667
0.72532696 0.62458649 0.45518244
No title
1
14.787083 0.169545 -0.385559
0.167808 13.893478 -0.164999
-0.376209 -0.163895 13.991056
C H O N
43 30 7 2
Direct configuration= 41
0.76023848 0.56387600 0.38072946
0.74460077 0.46389701 0.37449291
0.78985319 0.40521645 0.30896690
0.81162300 0.60448417 0.31072908
0.85336107 0.54625028 0.24281923
0.84990069 0.44599315 0.24797993
0.99755157 0.39396444 0.19842501
0.04872150 0.31023540 0.18055638
0.14362441 0.31023504 0.19004529
0.04336137 0.47950823 0.21992610
0.13776592 0.47802726 0.22873662
0.19120109 0.39426004 0.21682262
0.29489002 0.39899180 0.24084383
0.34443018 0.45972370 0.16911848
0.34291157 0.56123588 0.17446901
0.38710618 0.61749945 0.11080444
0.39477105 0.41710612 0.09604121
0.44003349 0.47228096 0.03205004
0.43583267 0.57247439 0.03901526
0.56401821 0.65954887 0.00161707
0.57494993 0.75505580 0.03337129
0.66020338 0.78553317 0.06943078
0.63884927 0.59589445 0.99725156
0.72266547 0.62685756 0.03416159
0.73308036 0.72006296 0.07286714
0.30748393 0.44329395 0.34333038
0.33842848 0.29746199 0.24815555
0.08730721 0.73850706 0.89784724
0.96684903 0.69108794 -0.01376038
0.93046228 0.75838933 0.91170272
0.84265754 0.79186266 0.88933497
0.83154440 0.86034551 0.81686180
0.70585602 0.82834015 0.72002792
0.64199321 0.76228486 0.74649364
0.61766636 0.68490629 0.68442090
0.65980164 0.67606280 0.59753593
0.66662453 0.59536676 0.52695169
0.75599922 0.71880603 0.47909494
0.71668446 0.74757877 0.57022145
0.73965839 0.82572468 0.62866261
0.90556359 0.89448914 0.76977670
0.99288421 0.85874189 0.79252041
0.00350322 0.78979423 0.86231108
0.77959519 0.32762506 0.30624390
0.69766963 0.43345774 0.42194629
0.81940908 0.68191470 0.31161411
0.88888125 0.57827186 0.18563260
0.17922374 0.24174362 0.17766536
0.01299826 0.24412461 0.16188124
0.00680292 0.54692655 0.23190112
0.17082963 0.54568871 0.24757556
0.38481987 0.69593987 0.11762260
0.30712456 0.59926899 0.23039584
0.40051063 0.33906899 0.08756408
0.47968057 0.43736870 0.97708110
0.66846676 0.86051063 0.09425272
0.51681623 0.80479828 0.03124905
0.62955391 0.52338452 0.96650768
0.78160702 0.57836100 0.03159232
0.37972694 0.44789589 0.36528034
0.27482443 0.39721569 0.39349289
0.27671229 0.51530561 0.35017892
0.41105757 0.30353939 0.26863977
0.33234934 0.25461846 0.18142129
0.30627730 0.25722911 0.30357794
0.78461119 0.76300629 0.92409569
0.61669252 0.76869376 0.81808466
0.57085511 0.63030789 0.70504505
0.78787049 0.87802654 0.60702134
0.89392891 0.94603501 0.71285823
0.05279469 0.88142930 0.75767236
0.10264088 0.63596182 0.00844469
0.79920792 0.74125871 0.10287525
0.90304964 0.38418782 0.19316822
0.47754764 0.62801042 0.97198723
0.16417097 0.74427902 0.87146283
0.92870598 0.65488930 0.05232854
0.74358056 0.89352184 0.78841841
0.63264355 0.51605364 0.53173585
0.80762592 0.76752218 0.43567216
0.05942534 0.67961988 0.97018188
0.72524536 0.62460404 0.45512720
No title
1
14.785838 0.166364 -0.392577
0.164882 13.886688 -0.168069
-0.382787 -0.166765 13.989622
C H O N
43 30 7 2
Direct configuration= 42
0.75966451 0.56389491 0.38060912
0.74478853 0.46386604 0.37450571
0.79048672 0.40520580 0.30922855
0.81069811 0.60447392 0.31064500
0.85323611 0.54614226 0.24314863
0.85019253 0.44584894 0.24824411
0.99777378 0.39411217 0.19862274
0.04891370 0.31028365 0.18081537
0.14372849 0.31044424 0.19005645
0.04358462 0.47971524 0.22028264
0.13802672 0.47844502 0.22877447
0.19114333 0.39440971 0.21654650
0.29465895 0.39875305 0.24058084
0.34410757 0.45961884 0.16882806
0.34268057 0.56113166 0.17458209
0.38690678 0.61734895 0.11096977
0.39439131 0.41678050 0.09600274
0.43966279 0.47207746 0.03214675
0.43547627 0.57240466 0.03903281
0.56331654 0.65979865 0.00150726
0.57428776 0.75532306 0.03358700
0.65925063 0.78546809 0.06967177
0.63813422 0.59613075 0.99749731
0.72244641 0.62669837 0.03461926
0.73236239 0.72001575 0.07322306
0.30762355 0.44323492 0.34300996
0.33829608 0.29739863 0.24801357
0.08817788 0.73855603 0.89742563
0.96789215 0.69080607 -0.01360603
0.93099914 0.75885181 0.91128572
0.84290563 0.79174237 0.88915543
0.83181610 0.86044496 0.81702483
0.70623999 0.82840328 0.72001313
0.64242235 0.76204185 0.74634916
0.61773338 0.68477850 0.68430961
0.65975378 0.67609315 0.59750784
0.66604080 0.59514124 0.52675340
0.75613021 0.71887914 0.47875282
0.71667942 0.74744632 0.57030767
0.74028200 0.82582024 0.62865233
0.90546045 0.89492592 0.76988840
0.99305961 0.85920614 0.79226200
0.00409236 0.78994338 0.86183231
0.78088586 0.32722353 0.30654671
0.69797850 0.43271376 0.42164228
0.81820373 0.68220080 0.31105293
0.88900872 0.57819576 0.18617916
0.17964151 0.24219562 0.17736017
0.01302276 0.24424057 0.16237531
0.00708171 0.54725803 0.23257773
0.17127878 0.54628462 0.24727614
0.38461296 0.69588062 0.11793520
0.30693668 0.59902581 0.23073505
0.39999180 0.33855611 0.08781983
0.47923224 0.43688171 0.97726189
0.66769733 0.86018412 0.09495656
0.51606634 0.80493084 0.03144131
0.62929758 0.52320812 0.96704148
0.78102169 0.57786388 0.03237725
0.37996027 0.44765463 0.36489658
0.27496837 0.39700485 0.39298477
0.27679988 0.51528464 0.34966994
0.41088167 0.30344607 0.26857190
0.33205611 0.25453691 0.18131295
0.30626698 0.25740572 0.30354792
0.78600813 0.76248091 0.92453419
0.61739629 0.76833090 0.81822963
0.57108311 0.63047736 0.70493373
0.78862895 0.87746804 0.60707812
0.89328161 0.94643424 0.71276143
0.05226248 0.88218084 0.75689623
0.10273405 0.63629287 0.00822502
0.79848390 0.74139849 0.10361600
0.90352471 0.38449658 0.19328162
0.47685879 0.62805774 0.97190056
0.16512163 0.74416223 0.87159692
0.92955525 0.65483063 0.05123219
0.74404863 0.89329751 0.78862722
0.63223116 0.51628857 0.53117984
0.80768879 0.76748324 0.43553578
0.05994305 0.68041235 0.96960000
0.72478008 0.62454725 0.45479976
No title
1
14.785728 0.166082 -0.393199
0.164622 13.886086 -0.168341
-0.383370 -0.167019 13.989495
C H O N
43 30 7 2
Direct configuration= 43
0.75961365 0.56389658 0.38059843
0.74480516 0.46386330 0.37450685
0.79054286 0.40520487 0.30925176
0.81061617 0.60447299 0.31063751
0.85322505 0.54613269 0.24317781
0.85021840 0.44583617 0.24826752
0.99779348 0.39412527 0.19864027
0.04893074 0.31028793 0.18083833
0.14373771 0.31046279 0.19005745
0.04360441 0.47973360 0.22031424
0.13804983 0.47848205 0.22877785
0.19113821 0.39442297 0.21652203
0.29463846 0.39873188 0.24055753
0.34407898 0.45960953 0.16880231
0.34266011 0.56112242 0.17459210
0.38688912 0.61733561 0.11098441
0.39435766 0.41675163 0.09599931
0.43962995 0.47205942 0.03215530
0.43544469 0.57239848 0.03903434
0.56325437 0.65982077 0.00149750
0.57422911 0.75534674 0.03360609
0.65916623 0.78546231 0.06969308
0.63807088 0.59615169 0.99751906
0.72242702 0.62668427 0.03465980
0.73229879 0.72001155 0.07325456
0.30763591 0.44322969 0.34298158
0.33828434 0.29739301 0.24800098
0.08825500 0.73856038 0.89738831
0.96798457 0.69078111 -0.01359231
0.93104669 0.75889281 0.91124880
0.84292761 0.79173171 0.88913953
0.83184018 0.86045379 0.81703929
0.70627401 0.82840888 0.72001184
0.64246037 0.76202032 0.74633638
0.61773931 0.68476718 0.68429975
0.65974954 0.67609584 0.59750535
0.66598907 0.59512124 0.52673580
0.75614181 0.71888562 0.47872251
0.71667897 0.74743458 0.57031531
0.74033726 0.82582872 0.62865145
0.90545133 0.89496463 0.76989830
0.99307514 0.85924728 0.79223913
0.00414454 0.78995660 0.86178992
0.78100021 0.32718797 0.30657359
0.69800584 0.43264782 0.42161535
0.81809692 0.68222612 0.31100316
0.88902004 0.57818903 0.18622759
0.17967852 0.24223568 0.17733316
0.01302495 0.24425085 0.16241909
0.00710645 0.54728743 0.23263770
0.17131857 0.54633744 0.24724964
0.38459464 0.69587537 0.11796288
0.30692004 0.59900426 0.23076509
0.39994584 0.33851065 0.08784245
0.47919252 0.43683854 0.97727788
0.66762918 0.86015518 0.09501888
0.51599991 0.80494258 0.03145831
0.62927488 0.52319249 0.96708876
0.78096986 0.57781982 0.03244676
0.37998092 0.44763324 0.36486259
0.27498109 0.39698616 0.39293975
0.27680762 0.51528278 0.34962485
0.41086608 0.30343780 0.26856587
0.33203012 0.25452967 0.18130333
0.30626607 0.25742137 0.30354526
0.78613191 0.76243438 0.92457309
0.61745865 0.76829876 0.81824250
0.57110331 0.63049238 0.70492388
0.78869614 0.87741856 0.60708318
0.89322426 0.94646961 0.71275283
0.05221531 0.88224743 0.75682746
0.10274231 0.63632221 0.00820557
0.79841979 0.74141087 0.10368160
0.90356681 0.38452396 0.19329170
0.47679776 0.62806191 0.97189285
0.16520587 0.74415190 0.87160884
0.92963045 0.65482543 0.05113508
0.74409010 0.89327764 0.78864574
0.63219461 0.51630937 0.53113057
0.80769436 0.76747979 0.43552370
0.05998891 0.68048260 0.96954849
0.72473885 0.62454220 0.45477073
No title
1
14.784261 0.163685 -0.398701
0.162373 13.873472 -0.175367
-0.388410 -0.173813 13.990386
C H O N
43 30 7 2
Direct configuration= 44
0.75911574 0.56375904 0.38025187
0.74491204 0.46381841 0.37455432
0.79105728 0.40520212 0.30962319
0.80987213 0.60458887 0.31037090
0.85303932 0.54611595 0.24356390
0.85057817 0.44590054 0.24848652
0.99794582 0.39431484 0.19879816
0.04906867 0.31036220 0.18106953
0.14384991 0.31065312 0.19000992
0.04386050 0.47994413 0.22064846
0.13822484 0.47882699 0.22876254
0.19109441 0.39473871 0.21628881
0.29457045 0.39844794 0.24045749
0.34373341 0.45955482 0.16852906
0.34242633 0.56099160 0.17471959
0.38672688 0.61716809 0.11115837
0.39399896 0.41653427 0.09593456
0.43933132 0.47188008 0.03221135
0.43511665 0.57229889 0.03894540
0.56276862 0.65991821 0.00147264
0.57352745 0.75547173 0.03373845
0.65834586 0.78540131 0.06992144
0.63733700 0.59636259 0.99781396
0.72204297 0.62652134 0.03494367
0.73180471 0.72002813 0.07360046
0.30777179 0.44318523 0.34270835
0.33814604 0.29726633 0.24781177
0.08856671 0.73888065 0.89692142
0.96895842 0.69114492 -0.01424422
0.93142316 0.75921693 0.91102478
0.84339299 0.79166871 0.88886681
0.83206429 0.86049488 0.81721582
0.70661074 0.82831367 0.71993467
0.64285352 0.76182587 0.74623449
0.61794423 0.68467529 0.68411607
0.65972125 0.67634379 0.59762275
0.66554106 0.59504363 0.52657349
0.75619522 0.71893872 0.47849753
0.71685104 0.74754985 0.57033565
0.74064902 0.82556569 0.62865398
0.90547353 0.89529285 0.76998679
0.99325853 0.85949702 0.79206361
0.00462202 0.79035196 0.86134106
0.78213236 0.32707987 0.30692310
0.69836529 0.43192475 0.42141933
0.81711432 0.68230955 0.31034525
0.88900854 0.57822521 0.18686074
0.18007255 0.24265044 0.17713814
0.01308059 0.24423012 0.16280585
0.00748957 0.54745451 0.23322360
0.17154603 0.54677266 0.24698788
0.38440647 0.69572638 0.11816632
0.30674088 0.59878861 0.23109940
0.39947148 0.33818640 0.08808836
0.47876260 0.43645050 0.97734670
0.66698709 0.85966264 0.09560106
0.51530839 0.80501413 0.03162491
0.62908185 0.52332971 0.96771025
0.78050408 0.57743110 0.03318045
0.38015933 0.44743814 0.36452423
0.27512389 0.39686763 0.39259795
0.27690044 0.51536063 0.34927544
0.41062717 0.30329351 0.26848911
0.33176179 0.25439437 0.18111296
0.30631259 0.25755847 0.30347535
0.78721070 0.76228339 0.92485604
0.61795143 0.76796080 0.81829292
0.57124304 0.63058642 0.70498290
0.78941759 0.87712397 0.60704053
0.89268579 0.94689641 0.71287353
0.05178744 0.88305514 0.75595174
0.10291125 0.63655245 0.00813129
0.79775483 0.74154226 0.10423070
0.90405137 0.38475697 0.19337813
0.47631066 0.62812107 0.97187054
0.16640695 0.74403675 0.87161336
0.93031061 0.65431369 0.05063442
0.74435895 0.89286514 0.78887871
0.63157733 0.51616110 0.53054896
0.80781505 0.76737382 0.43523528
0.06051430 0.68059744 0.96962373
0.72438870 0.62448604 0.45457853
No title
1
14.783930 0.163145 -0.399943
0.161865 13.870625 -0.176953
-0.389548 -0.175347 13.990588
C H O N
43 30 7 2
Direct configuration= 45
0.75900332 0.56372791 0.38017360
0.74493617 0.46380828 0.37456504
0.79117342 0.40520155 0.30970706
0.80970417 0.60461498 0.31031067
0.85299743 0.54611221 0.24365102
0.85065940 0.44591512 0.24853598
0.99798023 0.39435769 0.19883383
0.04909982 0.31037901 0.18112173
0.14387524 0.31069612 0.18999923
0.04391834 0.47999174 0.22072394
0.13826435 0.47890492 0.22875914
0.19108452 0.39481001 0.21623621
0.29455508 0.39838379 0.24043487
0.34365539 0.45954242 0.16846735
0.34237357 0.56096206 0.17474833
0.38669026 0.61713026 0.11119759
0.39391798 0.41648515 0.09591989
0.43926391 0.47183956 0.03222396
0.43504259 0.57227637 0.03892529
0.56265897 0.65994019 0.00146700
0.57336909 0.75549996 0.03376827
0.65816070 0.78538752 0.06997289
0.63717138 0.59641023 0.99788047
0.72195630 0.62648455 0.03500768
0.73169321 0.72003189 0.07367849
0.30780243 0.44317516 0.34264669
0.33811480 0.29723769 0.24776904
0.08863704 0.73895297 0.89681612
0.96917821 0.69122708 -0.01439121
0.93150813 0.75929014 0.91097429
0.84349802 0.79165446 0.88880529
0.83211489 0.86050419 0.81725569
0.70668673 0.82829216 0.71991727
0.64294225 0.76178194 0.74621151
0.61799047 0.68465452 0.68407463
0.65971488 0.67639981 0.59764927
0.66543992 0.59502606 0.52653681
0.75620726 0.71895069 0.47844676
0.71688989 0.74757590 0.57034027
0.74071938 0.82550628 0.62865455
0.90547856 0.89536700 0.77000680
0.99329992 0.85955343 0.79202404
0.00472978 0.79044125 0.86123985
0.78238793 0.32705553 0.30700207
0.69844639 0.43176140 0.42137504
0.81689248 0.68232828 0.31019668
0.88900599 0.57823345 0.18700364
0.18016150 0.24274413 0.17709421
0.01309318 0.24422548 0.16289314
0.00757610 0.54749234 0.23335588
0.17159737 0.54687096 0.24692887
0.38436400 0.69569274 0.11821220
0.30670046 0.59873993 0.23117481
0.39936441 0.33811316 0.08814378
0.47866555 0.43636282 0.97736215
0.66684218 0.85955141 0.09573233
0.51515232 0.80503029 0.03166246
0.62903833 0.52336077 0.96785051
0.78039899 0.57734335 0.03334595
0.38019957 0.44739403 0.36444786
0.27515610 0.39684082 0.39252081
0.27692137 0.51537819 0.34919660
0.41057323 0.30326090 0.26847175
0.33170121 0.25436377 0.18106995
0.30632309 0.25758943 0.30345959
0.78745423 0.76224936 0.92491997
0.61806266 0.76788448 0.81830430
0.57127458 0.63060768 0.70499624
0.78958042 0.87705744 0.60703094
0.89256427 0.94699282 0.71290077
0.05169082 0.88323750 0.75575416
0.10294939 0.63660446 0.00811457
0.79760477 0.74157198 0.10435458
0.90416077 0.38480964 0.19339771
0.47620071 0.62813441 0.97186546
0.16667806 0.74401078 0.87161447
0.93046408 0.65419806 0.05052142
0.74441964 0.89277199 0.78893127
0.63143795 0.51612751 0.53041763
0.80784226 0.76734985 0.43517019
0.06063290 0.68062341 0.96964077
0.72430965 0.62447332 0.45453511
No title
1
14.782396 0.161272 -0.402535
0.160062 13.857775 -0.184436
-0.391780 -0.182619 13.993468
C H O N
43 30 7 2
Direct configuration= 46
0.75850279 0.56372328 0.37978995
0.74497999 0.46349458 0.37460535
0.79172072 0.40515071 0.31005920
0.80905343 0.60476157 0.30991743
0.85284180 0.54628360 0.24394004
0.85103041 0.44602523 0.24883646
0.99827600 0.39457570 0.19901111
0.04918478 0.31045669 0.18131150
0.14394163 0.31088542 0.18988861
0.04417357 0.48020748 0.22103148
0.13840244 0.47926237 0.22871259
0.19118247 0.39516563 0.21607747
0.29458625 0.39828491 0.24033539
0.34326623 0.45937726 0.16834208
0.34212313 0.56091011 0.17487688
0.38652376 0.61695205 0.11135273
0.39357066 0.41635678 0.09580424
0.43899877 0.47160791 0.03218677
0.43467906 0.57215627 0.03884107
0.56213457 0.65998840 0.00151583
0.57258243 0.75551354 0.03382857
0.65759332 0.78513656 0.07022916
0.63671732 0.59650433 0.99826739
0.72130733 0.62646045 0.03523670
0.73117443 0.72003779 0.07395895
0.30791612 0.44315036 0.34243129
0.33795393 0.29703186 0.24751186
0.08962634 0.73934123 0.89627557
0.96948026 0.69153491 -0.01479023
0.93217190 0.75949539 0.91080228
0.84420342 0.79158821 0.88862191
0.83236342 0.86058098 0.81728953
0.70695392 0.82798880 0.71988607
0.64331874 0.76170120 0.74626006
0.61820399 0.68462257 0.68403456
0.65978265 0.67654641 0.59746568
0.66509643 0.59512013 0.52636371
0.75612009 0.71890266 0.47836537
0.71714432 0.74761546 0.57009103
0.74107205 0.82536763 0.62871936
0.90560347 0.89561548 0.77009094
0.99341505 0.85994313 0.79162716
0.00512457 0.79083079 0.86100724
0.78345176 0.32710834 0.30743505
0.69885695 0.43104621 0.42128045
0.81599327 0.68234100 0.30943813
0.88890409 0.57838292 0.18770671
0.18056026 0.24310493 0.17696524
0.01317909 0.24410715 0.16322366
0.00801253 0.54762132 0.23391890
0.17168447 0.54723117 0.24669384
0.38418051 0.69550937 0.11835726
0.30654922 0.59852203 0.23148059
0.39890500 0.33791134 0.08836803
0.47823165 0.43602440 0.97734339
0.66625103 0.85915161 0.09633426
0.51442645 0.80508857 0.03182021
0.62878956 0.52361640 0.96851107
0.77996081 0.57701449 0.03406793
0.38035108 0.44723492 0.36412474
0.27530921 0.39680042 0.39229165
0.27705518 0.51548518 0.34895147
0.41033988 0.30308035 0.26837469
0.33143631 0.25414053 0.18079761
0.30636918 0.25763834 0.30338785
0.78824046 0.76231694 0.92513478
0.61846998 0.76754882 0.81822039
0.57135709 0.63061223 0.70514925
0.79020608 0.87682538 0.60697483
0.89211952 0.94741855 0.71325038
0.05133762 0.88409699 0.75479160
0.10339025 0.63658388 0.00830455
0.79699855 0.74173994 0.10483144
0.90446939 0.38499515 0.19350173
0.47577644 0.62815979 0.97187210
0.16712335 0.74388433 0.87176629
0.93139242 0.65374415 0.04975809
0.74450100 0.89232848 0.78920174
0.63065220 0.51580714 0.52980729
0.80798181 0.76718013 0.43479496
0.06113298 0.68079973 0.96957132
0.72400174 0.62446363 0.45444328
No title
1
14.781925 0.160698 -0.403329
0.159509 13.853837 -0.186729
-0.392464 -0.184847 13.994351
C H O N
43 30 7 2
Direct configuration= 47
0.75834934 0.56372178 0.37967235
0.74499342 0.46339834 0.37461765
0.79188850 0.40513519 0.31016714
0.80885394 0.60480646 0.30979691
0.85279412 0.54633623 0.24402862
0.85114415 0.44605908 0.24892858
0.99836669 0.39464262 0.19906550
0.04921084 0.31048056 0.18136967
0.14396198 0.31094348 0.18985475
0.04425183 0.48027373 0.22112578
0.13844479 0.47937203 0.22869839
0.19121250 0.39527471 0.21602889
0.29459580 0.39825456 0.24030489
0.34314692 0.45932655 0.16830363
0.34204636 0.56089418 0.17491625
0.38647271 0.61689739 0.11140023
0.39346419 0.41631737 0.09576876
0.43891748 0.47153683 0.03217532
0.43456762 0.57211939 0.03881522
0.56197382 0.66000318 0.00153077
0.57234128 0.75551768 0.03384700
0.65741940 0.78505958 0.07030761
0.63657815 0.59653324 0.99838596
0.72110840 0.62645307 0.03530684
0.73101542 0.72003963 0.07404487
0.30795096 0.44314272 0.34236528
0.33790459 0.29696866 0.24743300
0.08992960 0.73946031 0.89611005
0.96957285 0.69162930 -0.01491244
0.93237537 0.75955836 0.91074964
0.84441964 0.79156789 0.88856575
0.83243960 0.86060455 0.81729993
0.70703581 0.82789574 0.71987647
0.64343415 0.76167645 0.74627494
0.61826944 0.68461277 0.68402229
0.65980342 0.67659136 0.59740945
0.66499113 0.59514894 0.52631066
0.75609337 0.71888791 0.47834041
0.71722230 0.74762756 0.57001467
0.74118015 0.82532511 0.62873922
0.90564178 0.89569173 0.77011678
0.99345033 0.86006263 0.79150561
0.00524560 0.79095027 0.86093605
0.78377789 0.32712465 0.30756781
0.69898277 0.43082680 0.42125136
0.81571759 0.68234475 0.30920562
0.88887290 0.57842888 0.18792218
0.18068250 0.24321562 0.17692580
0.01320544 0.24407090 0.16332493
0.00814634 0.54766100 0.23409148
0.17171117 0.54734165 0.24662188
0.38412426 0.69545313 0.11840167
0.30650287 0.59845522 0.23157425
0.39876417 0.33784944 0.08843670
0.47809863 0.43592055 0.97733755
0.66606983 0.85902903 0.09651862
0.51420396 0.80510644 0.03186852
0.62871334 0.52369492 0.96871352
0.77982651 0.57691369 0.03428910
0.38039750 0.44718606 0.36402570
0.27535613 0.39678800 0.39222143
0.27709619 0.51551797 0.34887638
0.41026833 0.30302494 0.26834491
0.33135508 0.25407198 0.18071410
0.30638331 0.25765334 0.30336588
0.78848149 0.76233774 0.92520066
0.61859483 0.76744585 0.81819465
0.57138239 0.63061366 0.70519614
0.79039786 0.87675420 0.60695764
0.89198322 0.94754920 0.71335756
0.05122934 0.88436051 0.75449674
0.10352540 0.63657762 0.00836279
0.79681275 0.74179152 0.10497756
0.90456401 0.38505209 0.19353365
0.47564638 0.62816756 0.97187412
0.16725985 0.74384558 0.87181281
0.93167694 0.65360481 0.04952414
0.74452594 0.89219247 0.78928456
0.63041130 0.51570873 0.52962015
0.80802457 0.76712801 0.43467995
0.06128627 0.68085384 0.96955010
0.72390735 0.62446063 0.45441512
No title
1
14.786461 0.159560 -0.404673
0.158478 13.843962 -0.191769
-0.393599 -0.189669 14.001377
C H O N
43 30 7 2
Direct configuration= 48
0.75779844 0.56379912 0.37937500
0.74508112 0.46303498 0.37460029
0.79252508 0.40509534 0.31041393
0.80817527 0.60489514 0.30946830
0.85271066 0.54651085 0.24413973
0.85147553 0.44619078 0.24933367
0.99871856 0.39482524 0.19927580
0.04929392 0.31047891 0.18147275
0.14404550 0.31119072 0.18971636
0.04448375 0.48047068 0.22136892
0.13863006 0.47970400 0.22863641
0.19139884 0.39550736 0.21593548
0.29464622 0.39836884 0.24015687
0.34283319 0.45914938 0.16831422
0.34179346 0.56083660 0.17501746
0.38626952 0.61672304 0.11149925
0.39309911 0.41624044 0.09565470
0.43863360 0.47130790 0.03204338
0.43417149 0.57194394 0.03878337
0.56136058 0.65999762 0.00165339
0.57168843 0.75548793 0.03392354
0.65693603 0.78473360 0.07056887
0.63626096 0.59658178 0.99882386
0.72061095 0.62643470 0.03561197
0.73047976 0.72002269 0.07427188
0.30805047 0.44316740 0.34223996
0.33772449 0.29671583 0.24711933
0.09024131 0.73961144 0.89621958
0.96986050 0.69176454 -0.01522209
0.93325988 0.75972949 0.91056744
0.84513775 0.79155199 0.88853250
0.83273822 0.86061546 0.81725416
0.70735098 0.82755061 0.71995295
0.64370698 0.76154796 0.74636196
0.61846375 0.68459094 0.68406599
0.65987211 0.67652137 0.59701731
0.66448939 0.59473686 0.52603688
0.75615905 0.71889975 0.47806508
0.71744498 0.74759345 0.56969439
0.74168553 0.82540478 0.62876392
0.90570010 0.89596881 0.77009090
0.99358812 0.86051725 0.79099233
0.00587609 0.79138905 0.86073688
0.78476821 0.32713153 0.30808385
0.69936913 0.43009870 0.42134415
0.81487761 0.68246156 0.30836431
0.88878225 0.57877955 0.18852793
0.18106241 0.24349298 0.17685233
0.01332982 0.24390968 0.16361226
0.00854851 0.54787930 0.23465241
0.17170964 0.54772902 0.24644513
0.38394788 0.69530445 0.11850459
0.30638428 0.59827021 0.23184842
0.39833489 0.33773502 0.08860109
0.47769517 0.43559479 0.97718873
0.66552190 0.85882365 0.09717563
0.51342056 0.80517489 0.03202219
0.62834911 0.52380563 0.96930877
0.77922537 0.57677081 0.03497926
0.38053173 0.44707674 0.36372552
0.27551378 0.39682710 0.39210246
0.27729458 0.51561520 0.34873957
0.41008662 0.30280603 0.26820185
0.33109366 0.25373778 0.18036668
0.30638107 0.25756658 0.30330038
0.78904633 0.76261447 0.92531126
0.61891911 0.76714687 0.81807674
0.57147267 0.63056644 0.70537625
0.79086053 0.87652365 0.60696302
0.89166514 0.94797618 0.71392041
0.05094476 0.88522432 0.75350178
0.10408891 0.63645490 0.00868188
0.79626035 0.74199013 0.10539086
0.90467948 0.38522397 0.19369492
0.47519027 0.62807408 0.97188409
0.16809258 0.74385442 0.87165202
0.93245424 0.65310833 0.04880614
0.74447850 0.89180504 0.78960603
0.62975481 0.51595717 0.52898563
0.80794456 0.76670937 0.43444725
0.06187745 0.68125372 0.96913069
0.72361872 0.62443926 0.45433171
No title
1
14.786979 0.159430 -0.404827
0.158360 13.842834 -0.192345
-0.393728 -0.190220 14.002180
C H O N
43 30 7 2
Direct configuration= 49
0.75773551 0.56380795 0.37934104
0.74509113 0.46299344 0.37459829
0.79259779 0.40509080 0.31044212
0.80809775 0.60490526 0.30943077
0.85270113 0.54653082 0.24415243
0.85151338 0.44620586 0.24937994
0.99875876 0.39484613 0.19929983
0.04930341 0.31047872 0.18148452
0.14405504 0.31121898 0.18970056
0.04451025 0.48049321 0.22139670
0.13865122 0.47974196 0.22862935
0.19142013 0.39553396 0.21592483
0.29465198 0.39838190 0.24013997
0.34279735 0.45912912 0.16831541
0.34176457 0.56083001 0.17502901
0.38624631 0.61670310 0.11151055
0.39305740 0.41623163 0.09564166
0.43860117 0.47128171 0.03202830
0.43412624 0.57192387 0.03877973
0.56129053 0.65999699 0.00166739
0.57161386 0.75548452 0.03393227
0.65688082 0.78469633 0.07059868
0.63622474 0.59658735 0.99887387
0.72055413 0.62643261 0.03564681
0.73041858 0.72002076 0.07429780
0.30806183 0.44317021 0.34222565
0.33770392 0.29668691 0.24708350
0.09027692 0.73962873 0.89623210
0.96989336 0.69177999 -0.01525744
0.93336091 0.75974906 0.91054665
0.84521977 0.79155018 0.88852871
0.83277233 0.86061671 0.81724894
0.70738698 0.82751116 0.71996168
0.64373814 0.76153328 0.74637190
0.61848594 0.68458845 0.68407098
0.65987995 0.67651336 0.59697252
0.66443208 0.59468972 0.52600559
0.75616656 0.71890109 0.47803364
0.71747041 0.74758954 0.56965781
0.74174326 0.82541390 0.62876674
0.90570677 0.89600049 0.77008796
0.99360385 0.86056921 0.79093373
0.00594811 0.79143922 0.86071416
0.78488133 0.32713234 0.30814280
0.69941326 0.43001546 0.42135472
0.81478166 0.68247487 0.30826822
0.88877190 0.57881966 0.18859712
0.18110581 0.24352469 0.17684395
0.01334403 0.24389126 0.16364507
0.00859445 0.54790428 0.23471649
0.17170946 0.54777331 0.24642496
0.38392773 0.69528745 0.11851634
0.30637073 0.59824906 0.23187972
0.39828586 0.33772193 0.08861985
0.47764909 0.43555754 0.97717172
0.66545931 0.85880019 0.09725064
0.51333108 0.80518272 0.03203974
0.62830751 0.52381831 0.96937675
0.77915671 0.57675449 0.03505806
0.38054706 0.44706423 0.36369124
0.27553179 0.39683157 0.39208888
0.27731724 0.51562631 0.34872395
0.41006586 0.30278099 0.26818551
0.33106380 0.25369955 0.18032699
0.30638081 0.25755665 0.30329290
0.78911085 0.76264612 0.92532390
0.61895614 0.76711269 0.81806327
0.57148298 0.63056105 0.70539682
0.79091338 0.87649729 0.60696363
0.89162882 0.94802502 0.71398471
0.05091226 0.88532305 0.75338819
0.10415328 0.63644089 0.00871832
0.79619725 0.74201285 0.10543807
0.90469267 0.38524363 0.19371335
0.47513817 0.62806339 0.97188522
0.16818769 0.74385543 0.87163367
0.93254301 0.65305155 0.04872414
0.74447308 0.89176076 0.78964273
0.62967983 0.51598555 0.52891317
0.80793542 0.76666149 0.43442066
0.06194498 0.68129943 0.96908282
0.72358575 0.62443681 0.45432219
No title
1
14.794828 0.161514 -0.405506
0.160400 13.839801 -0.193694
-0.394320 -0.191456 14.012169
C H O N
43 30 7 2
Direct configuration= 50
0.75719987 0.56379406 0.37918965
0.74522855 0.46283621 0.37457615
0.79314847 0.40506273 0.31066629
0.80745509 0.60494954 0.30920976
0.85260327 0.54659303 0.24421568
0.85184586 0.44639229 0.24968910
0.99889885 0.39487995 0.19949404
0.04944436 0.31043648 0.18149653
0.14420366 0.31139766 0.18956921
0.04473719 0.48067515 0.22155416
0.13886885 0.47993019 0.22856185
0.19154995 0.39567579 0.21588713
0.29466817 0.39848284 0.24002570
0.34270254 0.45911362 0.16833860
0.34155619 0.56071234 0.17508111
0.38599810 0.61656624 0.11155062
0.39270825 0.41617418 0.09558025
0.43826532 0.47108933 0.03185355
0.43375786 0.57171131 0.03879493
0.56078808 0.65987742 0.00184581
0.57116580 0.75549964 0.03406952
0.65635460 0.78464186 0.07086214
0.63583734 0.59663768 0.99926002
0.72034398 0.62636865 0.03602606
0.73007550 0.72000604 0.07452060
0.30817309 0.44322894 0.34218124
0.33755760 0.29648023 0.24680231
0.09087191 0.73969969 0.89649705
0.97054256 0.69180706 -0.01569362
0.93400422 0.76000049 0.91034125
0.84582749 0.79164065 0.88860628
0.83301205 0.86049152 0.81725606
0.70781685 0.82729774 0.72002419
0.64389721 0.76128871 0.74632477
0.61867840 0.68445803 0.68392871
0.65982726 0.67632333 0.59675656
0.66421876 0.59477131 0.52562403
0.75605124 0.71863480 0.47785084
0.71760487 0.74761219 0.56956187
0.74208054 0.82530926 0.62876912
0.90570190 0.89619174 0.77003281
0.99383115 0.86092203 0.79052381
0.00672993 0.79195046 0.86044312
0.78571757 0.32698708 0.30866587
0.69976101 0.42936716 0.42158589
0.81405220 0.68269125 0.30745742
0.88878686 0.57937906 0.18890310
0.18137996 0.24372896 0.17682881
0.01349855 0.24373857 0.16386438
0.00888381 0.54821140 0.23521746
0.17167000 0.54821120 0.24634255
0.38377904 0.69521149 0.11857087
0.30630457 0.59813697 0.23208090
0.39793822 0.33766875 0.08868412
0.47731578 0.43527340 0.97691466
0.66499112 0.85870347 0.09785368
0.51267106 0.80519934 0.03218516
0.62786333 0.52366320 0.96980990
0.77847459 0.57678329 0.03563151
0.38064685 0.44702280 0.36345030
0.27567277 0.39693678 0.39207747
0.27755746 0.51571415 0.34871266
0.40992905 0.30253628 0.26797406
0.33083537 0.25331696 0.17999150
0.30632051 0.25735737 0.30319426
0.78949806 0.76307941 0.92530456
0.61914878 0.76690701 0.81803918
0.57162682 0.63051820 0.70553679
0.79127259 0.87640832 0.60701804
0.89145330 0.94851734 0.71454933
0.05070891 0.88607063 0.75250833
0.10448421 0.63662006 0.00875447
0.79568704 0.74219855 0.10572432
0.90479883 0.38539193 0.19392808
0.47467991 0.62783362 0.97189989
0.16853943 0.74396515 0.87143725
0.93290077 0.65247857 0.04832792
0.74446734 0.89148311 0.79001935
0.62889536 0.51599479 0.52834178
0.80795370 0.76633876 0.43410847
0.06269712 0.68137939 0.96893387
0.72335177 0.62428591 0.45408006
No title
1
14.799188 0.162671 -0.405883
0.161533 13.838117 -0.194443
-0.394649 -0.192142 14.017719
C H O N
43 30 7 2
Direct configuration= 51
0.75690244 0.56378638 0.37910559
0.74530486 0.46274883 0.37456385
0.79345426 0.40504710 0.31079075
0.80709823 0.60497418 0.30908705
0.85254892 0.54662760 0.24425080
0.85203047 0.44649587 0.24986075
0.99897665 0.39489875 0.19960187
0.04952263 0.31041299 0.18150320
0.14428616 0.31149693 0.18949630
0.04486320 0.48077624 0.22164160
0.13898968 0.48003477 0.22852439
0.19162203 0.39575459 0.21586622
0.29467715 0.39853893 0.23996227
0.34264990 0.45910501 0.16835147
0.34144049 0.56064696 0.17511002
0.38586028 0.61649020 0.11157285
0.39251437 0.41614227 0.09554615
0.43807884 0.47098244 0.03175651
0.43355333 0.57159323 0.03880335
0.56050909 0.65981103 0.00194485
0.57091700 0.75550807 0.03414571
0.65606240 0.78461164 0.07100840
0.63562222 0.59666570 0.99947440
0.72022729 0.62633314 0.03623660
0.72988500 0.71999790 0.07464428
0.30823487 0.44326156 0.34215659
0.33747637 0.29636538 0.24664619
0.09120229 0.73973909 0.89664416
0.97090304 0.69182203 -0.01593576
0.93436142 0.76014015 0.91022725
0.84616493 0.79169088 0.88864937
0.83314517 0.86042194 0.81726001
0.70805557 0.82717912 0.72005889
0.64398556 0.76115279 0.74629859
0.61878528 0.68438553 0.68384972
0.65979802 0.67621773 0.59663665
0.66410030 0.59481665 0.52541219
0.75598722 0.71848682 0.47774934
0.71767953 0.74762476 0.56950860
0.74226784 0.82525109 0.62877043
0.90569918 0.89629801 0.77000220
0.99395733 0.86111806 0.79029625
0.00716402 0.79223448 0.86029269
0.78618193 0.32690632 0.30895627
0.69995416 0.42900689 0.42171421
0.81364712 0.68281152 0.30700728
0.88879512 0.57968994 0.18907301
0.18153218 0.24384244 0.17682042
0.01358436 0.24365372 0.16398613
0.00904447 0.54838207 0.23549561
0.17164806 0.54845453 0.24629682
0.38369648 0.69516930 0.11860114
0.30626784 0.59807469 0.23219259
0.39774518 0.33763922 0.08871980
0.47713072 0.43511552 0.97677192
0.66473115 0.85864978 0.09818846
0.51230456 0.80520864 0.03226589
0.62761669 0.52357706 0.97005036
0.77809582 0.57679938 0.03594986
0.38070227 0.44699977 0.36331653
0.27575105 0.39699523 0.39207114
0.27769085 0.51576294 0.34870641
0.40985310 0.30240030 0.26785666
0.33070856 0.25310436 0.17980523
0.30628704 0.25724662 0.30313949
0.78971303 0.76332016 0.92529384
0.61925577 0.76679271 0.81802580
0.57170669 0.63049439 0.70561450
0.79147207 0.87635886 0.60704825
0.89135581 0.94879096 0.71486281
0.05059593 0.88648603 0.75201988
0.10466795 0.63671960 0.00877456
0.79540372 0.74230180 0.10588324
0.90485776 0.38547433 0.19404730
0.47442546 0.62770597 0.97190801
0.16873473 0.74402607 0.87132822
0.93309947 0.65216012 0.04810792
0.74446418 0.89132884 0.79022843
0.62845975 0.51599996 0.52802454
0.80796388 0.76615940 0.43393514
0.06311476 0.68142376 0.96885120
0.72322185 0.62420207 0.45394562
No title
1
14.803622 0.164127 -0.403972
0.163023 13.834318 -0.192106
-0.392796 -0.189679 14.025299
C H O N
43 30 7 2
Direct configuration= 52
0.75648855 0.56365647 0.37886633
0.74537359 0.46260377 0.37469544
0.79388933 0.40500105 0.31109459
0.80650401 0.60505444 0.30885622
0.85242531 0.54686490 0.24429814
0.85237319 0.44660933 0.25005363
0.99903305 0.39489261 0.19978575
0.04970593 0.31043136 0.18148506
0.14445563 0.31158341 0.18938462
0.04502702 0.48089886 0.22174354
0.13915375 0.48022715 0.22848535
0.19169784 0.39586406 0.21583299
0.29468027 0.39847485 0.23994751
0.34269183 0.45914866 0.16834614
0.34127785 0.56062905 0.17514783
0.38555557 0.61638100 0.11158637
0.39222247 0.41608905 0.09546069
0.43766516 0.47072401 0.03157051
0.43318619 0.57138407 0.03882777
0.56010913 0.65969886 0.00219016
0.57044478 0.75555008 0.03433084
0.65555260 0.78474031 0.07130581
0.63522342 0.59656392 0.99981746
0.71975634 0.62644423 0.03664229
0.72954592 0.72003548 0.07487272
0.30836839 0.44327703 0.34210734
0.33734386 0.29616980 0.24641065
0.09203897 0.74000100 0.89665126
0.97149905 0.69142341 -0.01588238
0.93505323 0.76048423 0.90998028
0.84664025 0.79185665 0.88876687
0.83336143 0.86030290 0.81730735
0.70840677 0.82694121 0.72014666
0.64424813 0.76094485 0.74608902
0.61889482 0.68408586 0.68361854
0.65983277 0.67618191 0.59652903
0.66379334 0.59473459 0.52497369
0.75594563 0.71828147 0.47751755
0.71763849 0.74743623 0.56955034
0.74250801 0.82501154 0.62882666
0.90574757 0.89628041 0.77007932
0.99425699 0.86144871 0.78995731
0.00784255 0.79262163 0.86017795
0.78698904 0.32670058 0.30950199
0.70042281 0.42849223 0.42192001
0.81289903 0.68296022 0.30621592
0.88882666 0.58034173 0.18925434
0.18173320 0.24401362 0.17683781
0.01379989 0.24353846 0.16417107
0.00930131 0.54867806 0.23595496
0.17158230 0.54887180 0.24626143
0.38355675 0.69510455 0.11861943
0.30625898 0.59798737 0.23230796
0.39742769 0.33759955 0.08871060
0.47676361 0.43489288 0.97649888
0.66426287 0.85858319 0.09875744
0.51180948 0.80511799 0.03242418
0.62711315 0.52334095 0.97045299
0.77757963 0.57673035 0.03646548
0.38079577 0.44700326 0.36311457
0.27589790 0.39715693 0.39211583
0.27796115 0.51587746 0.34878170
0.40970225 0.30210710 0.26754955
0.33049786 0.25275045 0.17957124
0.30620535 0.25700815 0.30292467
0.79007562 0.76385076 0.92520309
0.61938160 0.76662756 0.81801150
0.57194088 0.63048290 0.70567933
0.79176610 0.87633889 0.60714792
0.89124312 0.94944736 0.71532622
0.05041381 0.88717365 0.75121441
0.10500330 0.63700890 0.00868925
0.79491870 0.74249520 0.10611041
0.90510841 0.38560468 0.19431684
0.47403409 0.62741745 0.97196259
0.16891205 0.74418464 0.87114194
0.93359704 0.65192458 0.04721866
0.74460957 0.89102849 0.79060767
0.62776903 0.51632734 0.52742616
0.80786424 0.76571415 0.43371353
0.06364637 0.68136599 0.96893474
0.72291673 0.62403826 0.45370557
No title
1
14.804527 0.164424 -0.403583
0.163327 13.833543 -0.191629
-0.392418 -0.189177 14.026844
C H O N
43 30 7 2
Direct configuration= 53
0.75640419 0.56362999 0.37881758
0.74538760 0.46257418 0.37472226
0.79397801 0.40499164 0.31115651
0.80638289 0.60507083 0.30880920
0.85240011 0.54691330 0.24430778
0.85244304 0.44663246 0.25009292
0.99904454 0.39489135 0.19982323
0.04974329 0.31043510 0.18148136
0.14449018 0.31160105 0.18936185
0.04506040 0.48092386 0.22176431
0.13918719 0.48026638 0.22847738
0.19171330 0.39588638 0.21582621
0.29468091 0.39846178 0.23994451
0.34270038 0.45915757 0.16834506
0.34124469 0.56062540 0.17515554
0.38549346 0.61635873 0.11158914
0.39216297 0.41607820 0.09544329
0.43758084 0.47067131 0.03153263
0.43311135 0.57134142 0.03883276
0.56002760 0.65967598 0.00224017
0.57034851 0.75555865 0.03436858
0.65544867 0.78476656 0.07136643
0.63514212 0.59654316 0.99988739
0.71966032 0.62646688 0.03672498
0.72947679 0.72004315 0.07491928
0.30839561 0.44328018 0.34209729
0.33731686 0.29612992 0.24636266
0.09220952 0.74005440 0.89665267
0.97162055 0.69134209 -0.01587150
0.93519425 0.76055441 0.90992992
0.84673713 0.79189045 0.88879080
0.83340552 0.86027861 0.81731699
0.70847837 0.82689268 0.72016454
0.64430167 0.76090244 0.74604631
0.61891717 0.68402475 0.68357143
0.65983986 0.67617461 0.59650709
0.66373078 0.59471788 0.52488434
0.75593716 0.71823959 0.47747033
0.71763013 0.74739777 0.56955886
0.74255697 0.82496267 0.62883812
0.90575743 0.89627681 0.77009504
0.99431808 0.86151616 0.78988822
0.00798087 0.79270058 0.86015453
0.78715355 0.32665858 0.30961318
0.70051835 0.42838724 0.42196196
0.81274655 0.68299060 0.30605466
0.88883307 0.58047466 0.18929128
0.18177417 0.24404853 0.17684134
0.01384383 0.24351494 0.16420875
0.00935365 0.54873841 0.23604856
0.17156888 0.54895691 0.24625421
0.38352826 0.69509135 0.11862317
0.30625717 0.59796955 0.23233147
0.39736297 0.33759146 0.08870874
0.47668879 0.43484749 0.97644325
0.66416739 0.85856959 0.09887341
0.51170856 0.80509950 0.03245646
0.62701049 0.52329279 0.97053507
0.77747439 0.57671626 0.03657058
0.38081484 0.44700398 0.36307341
0.27592783 0.39718991 0.39212493
0.27801625 0.51590081 0.34879703
0.40967151 0.30204731 0.26748698
0.33045492 0.25267827 0.17952357
0.30618871 0.25695952 0.30288090
0.79014953 0.76395898 0.92518457
0.61940726 0.76659388 0.81800858
0.57198862 0.63048054 0.70569254
0.79182604 0.87633481 0.60716823
0.89122012 0.94958123 0.71542065
0.05037669 0.88731393 0.75105024
0.10507166 0.63706790 0.00867184
0.79481982 0.74253465 0.10615672
0.90515949 0.38563126 0.19437176
0.47395432 0.62735861 0.97197374
0.16894820 0.74421699 0.87110396
0.93369850 0.65187656 0.04703742
0.74463921 0.89096721 0.79068496
0.62762823 0.51639415 0.52730422
0.80784395 0.76562335 0.43366838
0.06375474 0.68135420 0.96895175
0.72285454 0.62400487 0.45365666
No title
1
14.808390 0.166608 -0.401894
0.165532 13.828412 -0.188429
-0.390823 -0.185862 14.032761
C H O N
43 30 7 2
Direct configuration= 54
0.75611791 0.56346497 0.37852985
0.74546214 0.46237029 0.37492744
0.79431329 0.40492082 0.31151532
0.80587888 0.60519527 0.30851146
0.85231857 0.54729195 0.24425501
0.85267966 0.44672854 0.25024183
0.99920038 0.39492901 0.19998255
0.04992045 0.31051866 0.18145084
0.14462572 0.31166720 0.18929828
0.04509833 0.48099094 0.22182770
0.13924432 0.48048934 0.22848154
0.19176661 0.39597163 0.21579185
0.29469851 0.39827521 0.24000861
0.34278272 0.45917000 0.16837223
0.34113335 0.56069530 0.17520468
0.38519254 0.61632423 0.11152255
0.39193500 0.41596765 0.09534603
0.43714338 0.47043133 0.03130224
0.43274277 0.57112882 0.03884454
0.55970899 0.65961001 0.00252948
0.56991198 0.75555405 0.03461796
0.65500421 0.78490340 0.07165406
0.63471764 0.59629125 0.00019341
0.71899850 0.62658756 0.03710284
0.72897201 0.72026453 0.07515355
0.30852876 0.44324692 0.34201463
0.33719409 0.29591121 0.24616028
0.09240866 0.74042306 0.89662423
0.97245115 0.69122796 -0.01626383
0.93587408 0.76081162 0.90985613
0.84724291 0.79210586 0.88890322
0.83359791 0.86020535 0.81742889
0.70873694 0.82664545 0.72026503
0.64456378 0.76066174 0.74584210
0.61903176 0.68378815 0.68339605
0.65989764 0.67607941 0.59640761
0.66340023 0.59478833 0.52449423
0.75579713 0.71802092 0.47740314
0.71759738 0.74711903 0.56958971
0.74277542 0.82466890 0.62893448
0.90594825 0.89622566 0.77013936
0.99460576 0.86177898 0.78970159
0.00853029 0.79296565 0.86016832
0.78793932 0.32645932 0.31017567
0.70107127 0.42801136 0.42216738
0.81194992 0.68302758 0.30532574
0.88881959 0.58113848 0.18942632
0.18192674 0.24414069 0.17687421
0.01413629 0.24347281 0.16435900
0.00960210 0.54892848 0.23643631
0.17147911 0.54928380 0.24625119
0.38339552 0.69502303 0.11859772
0.30629185 0.59791308 0.23237535
0.39706553 0.33753627 0.08863531
0.47624949 0.43471164 0.97620013
0.66368807 0.85859424 0.09941020
0.51134460 0.80493829 0.03262751
0.62648296 0.52305046 0.97094340
0.77709282 0.57658430 0.03702894
0.38092814 0.44703987 0.36291592
0.27607745 0.39738488 0.39223060
0.27831015 0.51602550 0.34893057
0.40951631 0.30170488 0.26708767
0.33026436 0.25241417 0.17944412
0.30608897 0.25669239 0.30255048
0.79046738 0.76450088 0.92510545
0.61952399 0.76644411 0.81784159
0.57223481 0.63040547 0.70568800
0.79199137 0.87628724 0.60732325
0.89118645 0.95027685 0.71585484
0.05023352 0.88793814 0.75033709
0.10562188 0.63723851 0.00865756
0.79439374 0.74273025 0.10633785
0.90551600 0.38570929 0.19467348
0.47371891 0.62709608 0.97207144
0.16968995 0.74444061 0.87075208
0.93390006 0.65149994 0.04641245
0.74490151 0.89060344 0.79095847
0.62692598 0.51676396 0.52668138
0.80775251 0.76518528 0.43344881
0.06402625 0.68143568 0.96898282
0.72249148 0.62387470 0.45340577
No title
1
14.809524 0.167249 -0.401397
0.166180 13.826905 -0.187490
-0.390355 -0.184888 14.034499
C H O N
43 30 7 2
Direct configuration= 55
0.75603388 0.56341652 0.37844541
0.74548403 0.46231037 0.37498768
0.79441172 0.40489997 0.31162065
0.80573090 0.60523188 0.30842407
0.85229461 0.54740320 0.24423950
0.85274913 0.44675674 0.25028553
0.99924612 0.39494006 0.20002932
0.04997246 0.31054321 0.18144187
0.14466551 0.31168663 0.18927961
0.04510946 0.48101065 0.22184630
0.13926109 0.48055484 0.22848275
0.19178226 0.39599668 0.21578176
0.29470369 0.39822039 0.24002743
0.34280689 0.45917365 0.16838020
0.34110066 0.56071584 0.17521910
0.38510419 0.61631412 0.11150302
0.39186807 0.41593518 0.09531749
0.43701495 0.47036086 0.03123463
0.43263456 0.57106637 0.03884802
0.55961544 0.65959063 0.00261442
0.56978380 0.75555271 0.03469119
0.65487369 0.78494360 0.07173850
0.63459301 0.59621724 0.00028328
0.71880416 0.62662301 0.03721379
0.72882378 0.72032958 0.07522232
0.30856786 0.44323714 0.34199036
0.33715806 0.29584698 0.24610089
0.09246711 0.74053136 0.89661585
0.97269504 0.69119443 -0.01637902
0.93607367 0.76088717 0.90983443
0.84739140 0.79216912 0.88893619
0.83365440 0.86018380 0.81746173
0.70881287 0.82657279 0.72029453
0.64464076 0.76059102 0.74578216
0.61906543 0.68371864 0.68334457
0.65991462 0.67605145 0.59637841
0.66330318 0.59480907 0.52437971
0.75575602 0.71795668 0.47738344
0.71758777 0.74703714 0.56959879
0.74283957 0.82458257 0.62896277
0.90600428 0.89621062 0.77015237
0.99469022 0.86185619 0.78964677
0.00869159 0.79304349 0.86017233
0.78817002 0.32640071 0.31034078
0.70123363 0.42790089 0.42222769
0.81171605 0.68303853 0.30511178
0.88881560 0.58133350 0.18946593
0.18197153 0.24416776 0.17688385
0.01422216 0.24346041 0.16440310
0.00967502 0.54898428 0.23655012
0.17145274 0.54937984 0.24625028
0.38335655 0.69500297 0.11859027
0.30630203 0.59789648 0.23238823
0.39697821 0.33752007 0.08861377
0.47612052 0.43467177 0.97612879
0.66354731 0.85860146 0.09956779
0.51123774 0.80489093 0.03267776
0.62632806 0.52297926 0.97106331
0.77698077 0.57654551 0.03716352
0.38096141 0.44705041 0.36286968
0.27612137 0.39744214 0.39226160
0.27839643 0.51606211 0.34896975
0.40947077 0.30160431 0.26697048
0.33020842 0.25233660 0.17942083
0.30605971 0.25661393 0.30245350
0.79056069 0.76466008 0.92508217
0.61955827 0.76640011 0.81779257
0.57230709 0.63038340 0.70568666
0.79203991 0.87627324 0.60736876
0.89117652 0.95048119 0.71598226
0.05019148 0.88812158 0.75012769
0.10578343 0.63728861 0.00865333
0.79426862 0.74278773 0.10639103
0.90562066 0.38573218 0.19476203
0.47364980 0.62701896 0.97210015
0.16990773 0.74450630 0.87064873
0.93395928 0.65138932 0.04622901
0.74497853 0.89049653 0.79103877
0.62671979 0.51687268 0.52649854
0.80772569 0.76505660 0.43338438
0.06410597 0.68145960 0.96899193
0.72238490 0.62383649 0.45333214
No title
1
14.811940 0.170281 -0.399729
0.169182 13.819485 -0.184481
-0.388814 -0.181791 14.038030
C H O N
43 30 7 2
Direct configuration= 56
0.75580686 0.56331970 0.37820899
0.74572490 0.46212001 0.37511003
0.79475145 0.40480540 0.31191934
0.80529395 0.60529782 0.30805349
0.85226818 0.54765290 0.24407216
0.85282899 0.44697470 0.25045624
0.99955503 0.39504286 0.20015048
0.05014941 0.31064749 0.18140954
0.14474799 0.31179608 0.18927537
0.04512187 0.48111561 0.22192016
0.13920692 0.48071929 0.22850859
0.19182345 0.39611878 0.21577512
0.29474584 0.39806007 0.24008129
0.34284413 0.45909794 0.16848976
0.34106209 0.56074044 0.17524123
0.38484683 0.61633568 0.11134373
0.39166639 0.41577385 0.09524516
0.43657395 0.47022234 0.03097239
0.43227913 0.57087679 0.03879099
0.55930206 0.65953593 0.00292055
0.56949744 0.75541645 0.03501820
0.65437009 0.78509204 0.07200472
0.63410625 0.59597163 0.00062255
0.71826470 0.62651212 0.03756379
0.72819856 0.72063150 0.07545853
0.30869575 0.44319002 0.34191439
0.33704751 0.29560627 0.24593725
0.09312242 0.74094941 0.89626431
0.97313344 0.69125424 -0.01682681
0.93658500 0.76103143 0.90998363
0.84803146 0.79233579 0.88911500
0.83396667 0.86019201 0.81757901
0.70905439 0.82632107 0.72034595
0.64479740 0.76026091 0.74574066
0.61925781 0.68367810 0.68328894
0.65989487 0.67573809 0.59626596
0.66297621 0.59513381 0.52405272
0.75554216 0.71771860 0.47741523
0.71775844 0.74689388 0.56957026
0.74307275 0.82427597 0.62906849
0.90627881 0.89634091 0.77003518
0.99496096 0.86205486 0.78960023
0.00909279 0.79333232 0.86014536
0.78895491 0.32624098 0.31093096
0.70176307 0.42759468 0.42255814
0.81083622 0.68305741 0.30446531
0.88874722 0.58198973 0.18955964
0.18209483 0.24415605 0.17692249
0.01458983 0.24350865 0.16451768
0.00989364 0.54903715 0.23685541
0.17134391 0.54960057 0.24627837
0.38322807 0.69497376 0.11850961
0.30634091 0.59790964 0.23242606
0.39668886 0.33737971 0.08848329
0.47559931 0.43460983 0.97589820
0.66303014 0.85874964 0.10007459
0.51090176 0.80473508 0.03286744
0.62578967 0.52270736 0.97148571
0.77653088 0.57653393 0.03758285
0.38110541 0.44709537 0.36274842
0.27627840 0.39764608 0.39243588
0.27871954 0.51615556 0.34911657
0.40934416 0.30120505 0.26649758
0.33002254 0.25216259 0.17944917
0.30592846 0.25628619 0.30206273
0.79086130 0.76515477 0.92507732
0.61969598 0.76623643 0.81739907
0.57249809 0.63016824 0.70562849
0.79204686 0.87612184 0.60758012
0.89126200 0.95106889 0.71649164
0.05007451 0.88865816 0.74955583
0.10649645 0.63738760 0.00866567
0.79384166 0.74296260 0.10650467
0.90595988 0.38575737 0.19511253
0.47358571 0.62684318 0.97223496
0.17020148 0.74473702 0.87051017
0.93408487 0.65101681 0.04557909
0.74526075 0.89007119 0.79113915
0.62589544 0.51709833 0.52585336
0.80762872 0.76463743 0.43321081
0.06461110 0.68168677 0.96884172
0.72200447 0.62379532 0.45303824
No title
1
14.813194 0.171855 -0.398862
0.170741 13.815633 -0.182920
-0.388014 -0.180183 14.039862
C H O N
43 30 7 2
Direct configuration= 57
0.75568905 0.56326947 0.37808631
0.74584993 0.46202109 0.37517353
0.79492778 0.40475621 0.31207435
0.80506718 0.60533216 0.30786119
0.85225445 0.54778262 0.24398528
0.85287041 0.44708789 0.25054481
0.99971535 0.39509621 0.20021333
0.05024125 0.31070163 0.18139274
0.14479079 0.31185292 0.18927314
0.04512830 0.48117012 0.22195848
0.13917879 0.48080470 0.22852198
0.19184482 0.39618220 0.21577166
0.29476774 0.39797679 0.24010926
0.34286346 0.45905860 0.16854663
0.34104206 0.56075322 0.17525271
0.38471325 0.61634693 0.11126108
0.39156173 0.41569008 0.09520766
0.43634508 0.47015048 0.03083633
0.43209467 0.57077836 0.03876144
0.55913939 0.65950752 0.00307945
0.56934880 0.75534566 0.03518794
0.65410867 0.78516917 0.07214290
0.63385361 0.59584408 0.00079869
0.71798469 0.62645454 0.03774548
0.72787400 0.72078836 0.07558114
0.30876214 0.44316554 0.34187495
0.33699017 0.29548128 0.24585236
0.09346253 0.74116651 0.89608177
0.97336101 0.69128532 -0.01705925
0.93685038 0.76110629 0.91006101
0.84836365 0.79242227 0.88920774
0.83412874 0.86019623 0.81763986
0.70917978 0.82619029 0.72037265
0.64487874 0.76008943 0.74571915
0.61935767 0.68365703 0.68326006
0.65988466 0.67557535 0.59620764
0.66280648 0.59530256 0.52388301
0.75543119 0.71759496 0.47743177
0.71784704 0.74681945 0.56955545
0.74319381 0.82411669 0.62912338
0.90642130 0.89640856 0.76997432
0.99510147 0.86215803 0.78957603
0.00930100 0.79348230 0.86013130
0.78936229 0.32615786 0.31123723
0.70203789 0.42743554 0.42272964
0.81037958 0.68306739 0.30412985
0.88871165 0.58233058 0.18960821
0.18215883 0.24414994 0.17694254
0.01478065 0.24353366 0.16457713
0.01000709 0.54906455 0.23701383
0.17128740 0.54971522 0.24629293
0.38316139 0.69495861 0.11846777
0.30636109 0.59791646 0.23244569
0.39653870 0.33730685 0.08841560
0.47532881 0.43457775 0.97577856
0.66276166 0.85882660 0.10033763
0.51072738 0.80465414 0.03296593
0.62551023 0.52256614 0.97170500
0.77629735 0.57652792 0.03780052
0.38118016 0.44711871 0.36268547
0.27635987 0.39775197 0.39252630
0.27888722 0.51620405 0.34919273
0.40927852 0.30099774 0.26625221
0.32992608 0.25207223 0.17946390
0.30586039 0.25611602 0.30185997
0.79101727 0.76541168 0.92507473
0.61976750 0.76615144 0.81719486
0.57259725 0.63005646 0.70559831
0.79205047 0.87604317 0.60768984
0.89130628 0.95137408 0.71675594
0.05001377 0.88893694 0.74925899
0.10686653 0.63743893 0.00867202
0.79362002 0.74305346 0.10656366
0.90613593 0.38577038 0.19529441
0.47355245 0.62675187 0.97230495
0.17035393 0.74485684 0.87043821
0.93415014 0.65082339 0.04524182
0.74540727 0.88985022 0.79119128
0.62546758 0.51721571 0.52551855
0.80757844 0.76441974 0.43312078
0.06487326 0.68180473 0.96876370
0.72180703 0.62377401 0.45288574
No title
1
14.817843 0.174002 -0.397334
0.172953 13.806659 -0.180284
-0.386665 -0.177426 14.042856
C H O N
43 30 7 2
Direct configuration= 58
0.75550756 0.56328819 0.37789558
0.74617078 0.46188551 0.37529116
0.79532621 0.40468434 0.31224471
0.80465371 0.60528994 0.30748623
0.85219803 0.54788680 0.24380331
0.85295454 0.44727305 0.25063717
0.99994506 0.39522207 0.20028864
0.05046358 0.31080565 0.18137710
0.14491718 0.31193281 0.18930140
0.04524299 0.48131656 0.22206107
0.13915400 0.48089654 0.22856571
0.19186952 0.39634206 0.21580620
0.29479778 0.39794488 0.24012712
0.34286257 0.45891012 0.16866178
0.34105802 0.56068431 0.17523845
0.38449486 0.61632078 0.11108715
0.39135576 0.41555861 0.09518099
0.43587471 0.47006370 0.03063824
0.43180165 0.57072144 0.03859520
0.55883631 0.65938793 0.00337730
0.56902691 0.75521182 0.03553868
0.65357169 0.78543562 0.07244361
0.63347781 0.59566245 0.00122053
0.71755544 0.62635447 0.03811524
0.72739095 0.72078942 0.07576631
0.30891264 0.44312801 0.34187606
0.33689609 0.29528663 0.24575052
0.09379775 0.74146720 0.89582984
0.97346203 0.69123822 -0.01716870
0.93729064 0.76126415 0.91023161
0.84887149 0.79253946 0.88945508
0.83468403 0.86031576 0.81763179
0.70939060 0.82584862 0.72041146
0.64510757 0.75987436 0.74568055
0.61945546 0.68349751 0.68326498
0.65996100 0.67544374 0.59612249
0.66225603 0.59518448 0.52353137
0.75536874 0.71746952 0.47729809
0.71802413 0.74662562 0.56957396
0.74341167 0.82381299 0.62923218
0.90662489 0.89661936 0.76991481
0.99535171 0.86241148 0.78950986
0.00961953 0.79378891 0.86003774
0.79013849 0.32602571 0.31182521
0.70252507 0.42719783 0.42316595
0.80945037 0.68316124 0.30357298
0.88862145 0.58293008 0.18962563
0.18223183 0.24410833 0.17699184
0.01515619 0.24361822 0.16464401
0.01011661 0.54908554 0.23725360
0.17116611 0.54983580 0.24634757
0.38303948 0.69502282 0.11833481
0.30639365 0.59799613 0.23249616
0.39626222 0.33705148 0.08824486
0.47478282 0.43454384 0.97550699
0.66219256 0.85903927 0.10077336
0.51041290 0.80450428 0.03317326
0.62497943 0.52226739 0.97212888
0.77580993 0.57661208 0.03818531
0.38133321 0.44714245 0.36258448
0.27652467 0.39793255 0.39274522
0.27921293 0.51625739 0.34930273
0.40922003 0.30056101 0.26577061
0.32972641 0.25192974 0.17945577
0.30569053 0.25571270 0.30151658
0.79137557 0.76583002 0.92514437
0.61984584 0.76597001 0.81683518
0.57277512 0.62979875 0.70548370
0.79199575 0.87584776 0.60791251
0.89148672 0.95189395 0.71721476
0.04991553 0.88933484 0.74889475
0.10753012 0.63762765 0.00856409
0.79311489 0.74319242 0.10658783
0.90637556 0.38579106 0.19570662
0.47352404 0.62667075 0.97241295
0.17087495 0.74515192 0.87024636
0.93435538 0.65059005 0.04438782
0.74563997 0.88943398 0.79115957
0.62472479 0.51768221 0.52487558
0.80741938 0.76399986 0.43307367
0.06569651 0.68203154 0.96855663
0.72141569 0.62385433 0.45262228
No title
1
14.819453 0.174746 -0.396805
0.173719 13.803550 -0.179371
-0.386198 -0.176471 14.043893
C H O N
43 30 7 2
Direct configuration= 59
0.75544471 0.56329470 0.37782953
0.74628191 0.46183848 0.37533190
0.79546421 0.40465939 0.31230370
0.80451052 0.60527535 0.30735638
0.85217849 0.54792293 0.24374027
0.85298366 0.44733723 0.25066914
0.00002461 0.39526568 0.20031471
0.05054058 0.31084170 0.18137167
0.14496095 0.31196049 0.18931117
0.04528271 0.48136732 0.22209659
0.13914541 0.48092837 0.22858085
0.19187807 0.39639748 0.21581815
0.29480819 0.39793381 0.24013331
0.34286226 0.45885864 0.16870167
0.34106356 0.56066042 0.17523352
0.38441923 0.61631173 0.11102692
0.39128443 0.41551304 0.09517177
0.43571180 0.47003365 0.03056965
0.43170018 0.57070174 0.03853763
0.55873134 0.65934647 0.00348049
0.56891542 0.75516542 0.03566020
0.65338568 0.78552800 0.07254778
0.63334765 0.59559947 0.00136667
0.71740676 0.62631977 0.03824335
0.72722364 0.72078980 0.07583047
0.30896477 0.44311499 0.34187644
0.33686352 0.29521915 0.24571525
0.09391385 0.74157144 0.89574254
0.97349702 0.69122190 -0.01720661
0.93744311 0.76131884 0.91029067
0.84904737 0.79258005 0.88954073
0.83487635 0.86035717 0.81762896
0.70946363 0.82573015 0.72042492
0.64518684 0.75979979 0.74566718
0.61948934 0.68344220 0.68326669
0.65998745 0.67539811 0.59609301
0.66206539 0.59514360 0.52340960
0.75534713 0.71742605 0.47725180
0.71808547 0.74655841 0.56958038
0.74348713 0.82370769 0.62926987
0.90669540 0.89669243 0.76989417
0.99543836 0.86249934 0.78948691
0.00972984 0.79389519 0.86000530
0.79040731 0.32597982 0.31202885
0.70269380 0.42711536 0.42331707
0.80912855 0.68319387 0.30338012
0.88859017 0.58313792 0.18963163
0.18225712 0.24409390 0.17700892
0.01528625 0.24364752 0.16466715
0.01015454 0.54909280 0.23733665
0.17112410 0.54987760 0.24636650
0.38299726 0.69504510 0.11828876
0.30640492 0.59802374 0.23251364
0.39616648 0.33696297 0.08818574
0.47459373 0.43453213 0.97541295
0.66199543 0.85911299 0.10092431
0.51030398 0.80445232 0.03324510
0.62479560 0.52216381 0.97227574
0.77564110 0.57664125 0.03831862
0.38138622 0.44715068 0.36254949
0.27658173 0.39799513 0.39282103
0.27932574 0.51627586 0.34934082
0.40919981 0.30040964 0.26560383
0.32965727 0.25188036 0.17945298
0.30563174 0.25557291 0.30139767
0.79149964 0.76597503 0.92516846
0.61987299 0.76590714 0.81671060
0.57283674 0.62970940 0.70544402
0.79197681 0.87578000 0.60798966
0.89154917 0.95207414 0.71737365
0.04988149 0.88947281 0.74876856
0.10775995 0.63769305 0.00852667
0.79293992 0.74324062 0.10659622
0.90645854 0.38579819 0.19584939
0.47351421 0.62664262 0.97245037
0.17105539 0.74525421 0.87017987
0.93442650 0.65050920 0.04409201
0.74572059 0.88928967 0.79114861
0.62446752 0.51784403 0.52465286
0.80736432 0.76385431 0.43305738
0.06598163 0.68211014 0.96848485
0.72128016 0.62388221 0.45253103
No title
1
14.828638 0.178499 -0.396641
0.177432 13.796346 -0.178391
-0.386194 -0.175416 14.049294
C H O N
43 30 7 2
Direct configuration= 60
0.75527635 0.56338738 0.37768537
0.74661372 0.46174374 0.37554355
0.79589208 0.40463326 0.31242760
0.80408024 0.60524573 0.30699549
0.85206454 0.54801330 0.24354066
0.85317962 0.44736565 0.25063076
0.00009871 0.39540186 0.20036092
0.05080575 0.31097789 0.18138360
0.14517209 0.31200518 0.18936188
0.04545085 0.48149570 0.22221276
0.13924054 0.48101221 0.22866399
0.19193681 0.39651920 0.21589233
0.29480535 0.39800442 0.24017944
0.34283988 0.45869217 0.16876747
0.34107917 0.56054347 0.17524468
0.38423270 0.61627502 0.11086207
0.39105584 0.41533432 0.09516518
0.43521516 0.46997935 0.03042272
0.43143789 0.57077053 0.03829308
0.55851003 0.65915385 0.00381512
0.56848633 0.75513670 0.03604787
0.65291484 0.78569519 0.07288814
0.63307690 0.59539819 0.00186250
0.71698677 0.62632368 0.03864639
0.72678599 0.72062165 0.07598188
0.30916057 0.44309004 0.34197105
0.33676495 0.29507720 0.24566033
0.09428032 0.74169664 0.89562357
0.97403504 0.69134417 -0.01753389
0.93782984 0.76157551 0.91037990
0.84943841 0.79278182 0.88972158
0.83544738 0.86046278 0.81757525
0.70974802 0.82532491 0.72045523
0.64545826 0.75961127 0.74554496
0.61955739 0.68315186 0.68321302
0.66009490 0.67540767 0.59609932
0.66161867 0.59528521 0.52304369
0.75518259 0.71720642 0.47718015
0.71825311 0.74627397 0.56963174
0.74364733 0.82333762 0.62938348
0.90693636 0.89697220 0.76995936
0.99562197 0.86285565 0.78936466
0.00999391 0.79414889 0.85990109
0.79122450 0.32586113 0.31262266
0.70322305 0.42696670 0.42381046
0.80811501 0.68333046 0.30287325
0.88846200 0.58364415 0.18958665
0.18228249 0.24404988 0.17707509
0.01564826 0.24372365 0.16467498
0.01012289 0.54916191 0.23753929
0.17100747 0.54992921 0.24646086
0.38287072 0.69517278 0.11809520
0.30646776 0.59813163 0.23252672
0.39588544 0.33663836 0.08797785
0.47399447 0.43451007 0.97508328
0.66134091 0.85942021 0.10130523
0.50996218 0.80431187 0.03348086
0.62427240 0.52188571 0.97275273
0.77518158 0.57673658 0.03869138
0.38155027 0.44713432 0.36245876
0.27676869 0.39813920 0.39308055
0.27965123 0.51631480 0.34939966
0.40921407 0.29992292 0.26512869
0.32941864 0.25174559 0.17933850
0.30542290 0.25508065 0.30113373
0.79191558 0.76630208 0.92535110
0.61985901 0.76571233 0.81652730
0.57298216 0.62939410 0.70528799
0.79194871 0.87560516 0.60819831
0.89180845 0.95261533 0.71769474
0.04985265 0.88974930 0.74859865
0.10846082 0.63797194 0.00827711
0.79234066 0.74334287 0.10654085
0.90666024 0.38580030 0.19629233
0.47342186 0.62665373 0.97245545
0.17158707 0.74567117 0.86992810
0.93442706 0.65005638 0.04352166
0.74600597 0.88890859 0.79105227
0.62346933 0.51793925 0.52398299
0.80741227 0.76367360 0.43290804
0.06662816 0.68239982 0.96828202
0.72087219 0.62398093 0.45221180
No title
1
14.833404 0.180447 -0.396556
0.179359 13.792608 -0.177882
-0.386193 -0.174868 14.052097
C H O N
43 30 7 2
Direct configuration= 61
0.75518904 0.56343552 0.37761060
0.74678580 0.46169450 0.37565333
0.79611396 0.40461962 0.31249185
0.80385711 0.60523043 0.30680831
0.85200545 0.54806024 0.24343713
0.85328123 0.44738038 0.25061084
0.00013713 0.39547254 0.20038489
0.05094324 0.31104855 0.18138978
0.14528157 0.31202835 0.18938817
0.04553802 0.48156232 0.22227301
0.13928986 0.48105572 0.22870711
0.19196725 0.39658238 0.21593080
0.29480388 0.39804107 0.24020336
0.34282830 0.45860574 0.16880161
0.34108728 0.56048275 0.17525047
0.38413598 0.61625599 0.11077657
0.39093733 0.41524156 0.09516177
0.43495762 0.46995124 0.03034652
0.43130187 0.57080629 0.03816623
0.55839529 0.65905387 0.00398870
0.56826382 0.75512184 0.03624896
0.65267065 0.78578204 0.07306468
0.63293653 0.59529371 0.00211968
0.71676898 0.62632575 0.03885545
0.72655907 0.72053441 0.07606043
0.30926211 0.44307706 0.34202012
0.33671386 0.29500352 0.24563185
0.09447035 0.74176159 0.89556184
0.97431402 0.69140759 -0.01770365
0.93803035 0.76170870 0.91042617
0.84964116 0.79288651 0.88981538
0.83574348 0.86051753 0.81754738
0.70989555 0.82511449 0.72047096
0.64559904 0.75951337 0.74548157
0.61959272 0.68300113 0.68318520
0.66015061 0.67541262 0.59610259
0.66138700 0.59535880 0.52285391
0.75509730 0.71709243 0.47714301
0.71834008 0.74612627 0.56965838
0.74373045 0.82314547 0.62944242
0.90706128 0.89711740 0.76999316
0.99571713 0.86304061 0.78930124
0.01013081 0.79428056 0.85984703
0.79164828 0.32579937 0.31293065
0.70349751 0.42688943 0.42406637
0.80758941 0.68340153 0.30261036
0.88839546 0.58390698 0.18956330
0.18229565 0.24402701 0.17710941
0.01583597 0.24376313 0.16467904
0.01010647 0.54919779 0.23764440
0.17094699 0.54995601 0.24650981
0.38280508 0.69523909 0.11799480
0.30650033 0.59818764 0.23253349
0.39573974 0.33646989 0.08787004
0.47368373 0.43449872 0.97491230
0.66100146 0.85957977 0.10150281
0.50978495 0.80423899 0.03360315
0.62400113 0.52174138 0.97300016
0.77494328 0.57678612 0.03888473
0.38163535 0.44712581 0.36241170
0.27686562 0.39821395 0.39321515
0.27982001 0.51633496 0.34943018
0.40922153 0.29967025 0.26488226
0.32929492 0.25167566 0.17927914
0.30531468 0.25482513 0.30099685
0.79213122 0.76647180 0.92544582
0.61985179 0.76561120 0.81643224
0.57305761 0.62923040 0.70520708
0.79193416 0.87551438 0.60830654
0.89194283 0.95289624 0.71786126
0.04983767 0.88989285 0.74851051
0.10882423 0.63811665 0.00814765
0.79202989 0.74339603 0.10651214
0.90676482 0.38580134 0.19652207
0.47337397 0.62665952 0.97245809
0.17186271 0.74588758 0.86979748
0.93442741 0.64982133 0.04322584
0.74615401 0.88871071 0.79100231
0.62295170 0.51798885 0.52363555
0.80743717 0.76357978 0.43283059
0.06696339 0.68255012 0.96817679
0.72066062 0.62403225 0.45204623
No title
1
14.842806 0.183986 -0.395777
0.182865 13.784897 -0.177250
-0.385613 -0.174166 14.057215
C H O N
43 30 7 2
Direct configuration= 62
0.75502907 0.56344680 0.37747062
0.74710270 0.46165306 0.37591443
0.79648643 0.40465036 0.31267502
0.80342198 0.60533162 0.30650839
0.85186161 0.54818237 0.24322378
0.85349370 0.44735631 0.25056165
0.00020795 0.39559370 0.20043175
0.05116302 0.31120941 0.18142524
0.14547431 0.31209065 0.18945282
0.04562492 0.48164646 0.22237928
0.13940714 0.48112456 0.22880678
0.19211293 0.39660914 0.21603542
0.29480270 0.39807909 0.24033618
0.34278597 0.45850041 0.16882362
0.34109550 0.56043119 0.17526327
0.38397678 0.61628934 0.11067199
0.39072492 0.41498953 0.09509415
0.43452336 0.46991408 0.03020289
0.43103190 0.57086282 0.03795176
0.55825728 0.65894169 0.00435716
0.56792384 0.75509377 0.03664816
0.65228795 0.78573812 0.07338936
0.63267033 0.59504567 0.00259534
0.71638683 0.62626035 0.03920089
0.72606212 0.72057820 0.07624672
0.30945515 0.44306119 0.34215494
0.33660377 0.29484309 0.24558740
0.09515865 0.74190601 0.89535098
0.97488656 0.69135313 -0.01776024
0.93841705 0.76204208 0.91039274
0.84998244 0.79319054 0.88985858
0.83600471 0.86050590 0.81755684
0.71028806 0.82474736 0.72051305
0.64573474 0.75919847 0.74540739
0.61972476 0.68277142 0.68308648
0.66016536 0.67528092 0.59612093
0.66088355 0.59535385 0.52252658
0.75509102 0.71704688 0.47696513
0.71853052 0.74588073 0.56969012
0.74388960 0.82277575 0.62949799
0.90736907 0.89751795 0.77007285
0.99585181 0.86334413 0.78926704
0.01038455 0.79447793 0.85972538
0.79245654 0.32571870 0.31347533
0.70407163 0.42684010 0.42452561
0.80658453 0.68350532 0.30216093
0.88821657 0.58425078 0.18949948
0.18231179 0.24396378 0.17718085
0.01616375 0.24382474 0.16463834
0.00999352 0.54929896 0.23780513
0.17089082 0.55001958 0.24665302
0.38267276 0.69533095 0.11777272
0.30660915 0.59827089 0.23247881
0.39546771 0.33618785 0.08765674
0.47305077 0.43449072 0.97459273
0.66033256 0.85987237 0.10179153
0.50936382 0.80417092 0.03384603
0.62355698 0.52154380 0.97352113
0.77458423 0.57683901 0.03922798
0.38180785 0.44706421 0.36233937
0.27707548 0.39831706 0.39346346
0.28011153 0.51639049 0.34944712
0.40924675 0.29918257 0.26446690
0.32903307 0.25159107 0.17910606
0.30513125 0.25434977 0.30079337
0.79255684 0.76669763 0.92571137
0.61980553 0.76542300 0.81635675
0.57314363 0.62887834 0.70503568
0.79194581 0.87536238 0.60848152
0.89223161 0.95341370 0.71803375
0.04993258 0.89008955 0.74846694
0.10950703 0.63844923 0.00779235
0.79145475 0.74345451 0.10642096
0.90701361 0.38570400 0.19685476
0.47321724 0.62672523 0.97235189
0.17200862 0.74633776 0.86963334
0.93462759 0.64949979 0.04249940
0.74653730 0.88841949 0.79090159
0.62201884 0.51820709 0.52297254
0.80743849 0.76342406 0.43279321
0.06729076 0.68279890 0.96809739
0.72024643 0.62409775 0.45173017
No title
1
14.849861 0.186642 -0.395193
0.185495 13.779112 -0.176775
-0.385178 -0.173639 14.061055
C H O N
43 30 7 2
Direct configuration= 63
0.75490912 0.56345530 0.37736565
0.74734031 0.46162187 0.37611024
0.79676570 0.40467336 0.31281237
0.80309571 0.60540768 0.30628346
0.85175374 0.54827409 0.24306378
0.85365302 0.44733821 0.25052474
0.00026103 0.39568464 0.20046688
0.05132779 0.31133013 0.18145182
0.14561881 0.31213738 0.18950129
0.04569006 0.48170960 0.22245898
0.13949506 0.48117621 0.22888152
0.19222215 0.39662920 0.21611388
0.29480180 0.39810763 0.24043579
0.34275424 0.45842134 0.16884014
0.34110167 0.56039247 0.17527287
0.38385741 0.61631441 0.11059356
0.39056570 0.41480037 0.09504346
0.43419775 0.46988628 0.03009520
0.43082947 0.57090532 0.03779092
0.55815379 0.65885749 0.00463353
0.56766891 0.75507275 0.03694759
0.65200098 0.78570520 0.07363289
0.63247076 0.59485950 0.00295211
0.71610029 0.62621131 0.03946000
0.72568948 0.72061117 0.07638646
0.30959990 0.44304923 0.34225605
0.33652126 0.29472268 0.24555408
0.09567474 0.74201430 0.89519278
0.97531588 0.69131214 -0.01780270
0.93870694 0.76229228 0.91036763
0.85023828 0.79341872 0.88989095
0.83620059 0.86049712 0.81756392
0.71058244 0.82447167 0.72054461
0.64583656 0.75896206 0.74535176
0.61982381 0.68259895 0.68301243
0.66017644 0.67518205 0.59613469
0.66050607 0.59535025 0.52228111
0.75508632 0.71701270 0.47683171
0.71867335 0.74569636 0.56971393
0.74400900 0.82249817 0.62953967
0.90759979 0.89781858 0.77013259
0.99595275 0.86357197 0.78924136
0.01057478 0.79462605 0.85963412
0.79306259 0.32565797 0.31388381
0.70450210 0.42680294 0.42487001
0.80583104 0.68358345 0.30182390
0.88808237 0.58450890 0.18945162
0.18232389 0.24391630 0.17723442
0.01640952 0.24387094 0.16460780
0.00990880 0.54937493 0.23792569
0.17084869 0.55006730 0.24676044
0.38257353 0.69539995 0.11760617
0.30669073 0.59833337 0.23243778
0.39526379 0.33597618 0.08749678
0.47257619 0.43448485 0.97435308
0.65983095 0.86009215 0.10200810
0.50904806 0.80411989 0.03402821
0.62322397 0.52139553 0.97391190
0.77431499 0.57687876 0.03948544
0.38193722 0.44701793 0.36228512
0.27723281 0.39839442 0.39364968
0.28033011 0.51643213 0.34945981
0.40926576 0.29881647 0.26415539
0.32883675 0.25152763 0.17897626
0.30499380 0.25399295 0.30064079
0.79287593 0.76686708 0.92591051
0.61977087 0.76528172 0.81630014
0.57320820 0.62861403 0.70490714
0.79195457 0.87524826 0.60861276
0.89244804 0.95380211 0.71816309
0.05000372 0.89023720 0.74843425
0.11001896 0.63869879 0.00752582
0.79102350 0.74349853 0.10635260
0.90720016 0.38563086 0.19710428
0.47309970 0.62677459 0.97227224
0.17211794 0.74667569 0.86951020
0.93477778 0.64925840 0.04195455
0.74682475 0.88820080 0.79082603
0.62131935 0.51837112 0.52247531
0.80743951 0.76330715 0.43276517
0.06753619 0.68298560 0.96803781
0.71993586 0.62414702 0.45149314
No title
1
14.861011 0.189506 -0.393243
0.188412 13.768899 -0.176272
-0.383520 -0.173032 14.066404
C H O N
43 30 7 2
Direct configuration= 64
0.75472203 0.56341113 0.37719218
0.74772000 0.46161416 0.37636649
0.79714969 0.40471658 0.31311264
0.80260804 0.60551806 0.30597521
0.85152582 0.54843458 0.24288036
0.85379796 0.44741192 0.25058069
0.00046067 0.39576253 0.20053798
0.05152948 0.31147351 0.18149043
0.14573893 0.31221406 0.18957530
0.04571498 0.48184143 0.22258598
0.13952688 0.48119693 0.22899860
0.19244019 0.39662882 0.21628465
0.29486788 0.39802309 0.24068017
0.34270269 0.45835050 0.16882451
0.34113488 0.56044160 0.17520859
0.38370744 0.61639201 0.11052571
0.39033117 0.41457488 0.09488584
0.43377908 0.46981768 0.02991815
0.43047160 0.57091114 0.03763559
0.55794832 0.65886466 0.00504409
0.56735836 0.75498093 0.03738468
0.65151909 0.78575357 0.07403971
0.63214650 0.59459804 0.00348059
0.71569134 0.62606152 0.03979571
0.72511792 0.72077643 0.07661205
0.30979925 0.44303102 0.34240558
0.33641084 0.29444428 0.24548553
0.09571020 0.74233834 0.89505362
0.97583990 0.69134070 -0.01792461
0.93924255 0.76264233 0.91028684
0.85061629 0.79369760 0.88996096
0.83632805 0.86054755 0.81748463
0.71097948 0.82400008 0.72067039
0.64594818 0.75860330 0.74543593
0.61993452 0.68233310 0.68295449
0.66018937 0.67483128 0.59595423
0.65992151 0.59528129 0.52195498
0.75506382 0.71700240 0.47670393
0.71885020 0.74537818 0.56966658
0.74428337 0.82218325 0.62955063
0.90783340 0.89831586 0.77027411
0.99613398 0.86385234 0.78929563
0.01094552 0.79476416 0.85950188
0.79397080 0.32563476 0.31444825
0.70519756 0.42682285 0.42535900
0.80471796 0.68372537 0.30134719
0.88783183 0.58473185 0.18934332
0.18235177 0.24381836 0.17731795
0.01676064 0.24395144 0.16452417
0.00976237 0.54947455 0.23806107
0.17087999 0.55020876 0.24698761
0.38240883 0.69546529 0.11734909
0.30684446 0.59840246 0.23233991
0.39496454 0.33569751 0.08725308
0.47182455 0.43448080 0.97400728
0.65907378 0.86022814 0.10219171
0.50852801 0.80409518 0.03431959
0.62281668 0.52119624 0.97453430
0.77403966 0.57686648 0.03984934
0.38214767 0.44689679 0.36222730
0.27750398 0.39847085 0.39390511
0.28062092 0.51653700 0.34945297
0.40922484 0.29826873 0.26375754
0.32851291 0.25152500 0.17877103
0.30485865 0.25353011 0.30043567
0.79342937 0.76705486 0.92624338
0.61972706 0.76506080 0.81624118
0.57329248 0.62824958 0.70467345
0.79201128 0.87507413 0.60876889
0.89279289 0.95435884 0.71821901
0.05024754 0.89040952 0.74848846
0.11072785 0.63910701 0.00704889
0.79046993 0.74355200 0.10625629
0.90754240 0.38539075 0.19730183
0.47291875 0.62688024 0.97210811
0.17262054 0.74719082 0.86922522
0.93517082 0.64890007 0.04117729
0.74725421 0.88798742 0.79068712
0.62035757 0.51877659 0.52172194
0.80748752 0.76322294 0.43274490
0.06793394 0.68313423 0.96808262
0.71947838 0.62418692 0.45115483
No title
1
14.867150 0.191084 -0.392170
0.190017 13.763276 -0.175996
-0.382607 -0.172698 14.069350
C H O N
43 30 7 2
Direct configuration= 65
0.75461911 0.56338681 0.37709671
0.74792891 0.46160987 0.37650750
0.79736095 0.40474035 0.31327788
0.80233972 0.60557894 0.30580558
0.85140040 0.54852305 0.24277942
0.85387770 0.44745253 0.25061147
0.00057050 0.39580543 0.20057709
0.05164044 0.31155250 0.18151167
0.14580501 0.31225631 0.18961602
0.04572866 0.48191407 0.22265588
0.13954439 0.48120834 0.22906303
0.19256014 0.39662859 0.21637863
0.29490424 0.39797650 0.24081468
0.34267434 0.45831147 0.16881591
0.34115316 0.56046867 0.17517321
0.38362492 0.61643479 0.11048838
0.39020216 0.41445065 0.09479911
0.43354874 0.46977993 0.02982073
0.43027470 0.57091439 0.03755012
0.55783524 0.65886863 0.00527009
0.56718747 0.75493036 0.03762531
0.65125391 0.78578027 0.07426368
0.63196807 0.59445399 0.00377151
0.71546632 0.62597901 0.03998054
0.72480340 0.72086756 0.07673628
0.30990894 0.44302097 0.34248787
0.33635012 0.29429088 0.24544782
0.09572968 0.74251691 0.89497701
0.97612824 0.69135639 -0.01799176
0.93953722 0.76283518 0.91024232
0.85082424 0.79385123 0.88999945
0.83639818 0.86057532 0.81744098
0.71119798 0.82374015 0.72073960
0.64600964 0.75840560 0.74548225
0.61999547 0.68218660 0.68292260
0.66019654 0.67463798 0.59585490
0.65959989 0.59524337 0.52177552
0.75505145 0.71699672 0.47663360
0.71894755 0.74520282 0.56964051
0.74443438 0.82200968 0.62955664
0.90796188 0.89858985 0.77035198
0.99623367 0.86400683 0.78932548
0.01114950 0.79484022 0.85942905
0.79447049 0.32562186 0.31475885
0.70558019 0.42683373 0.42562810
0.80410553 0.68380370 0.30108488
0.88769396 0.58485473 0.18928372
0.18236711 0.24376439 0.17736392
0.01695383 0.24399577 0.16447810
0.00968178 0.54952945 0.23813560
0.17089719 0.55028671 0.24711265
0.38231822 0.69550132 0.11720759
0.30692905 0.59844052 0.23228602
0.39479993 0.33554399 0.08711897
0.47141100 0.43447867 0.97381701
0.65865714 0.86030316 0.10229284
0.50824185 0.80408162 0.03448002
0.62259255 0.52108645 0.97487693
0.77388814 0.57685973 0.04004967
0.38226349 0.44683001 0.36219546
0.27765316 0.39851293 0.39404567
0.28078092 0.51659476 0.34944918
0.40920241 0.29796691 0.26353856
0.32833473 0.25152360 0.17865810
0.30478435 0.25327508 0.30032278
0.79373385 0.76715827 0.92642655
0.61970298 0.76493907 0.81620874
0.57333891 0.62804874 0.70454482
0.79204249 0.87497816 0.60885484
0.89298257 0.95466559 0.71824976
0.05038168 0.89050444 0.74851827
0.11111790 0.63933190 0.00678630
0.79016534 0.74358153 0.10620333
0.90773072 0.38525839 0.19741054
0.47281918 0.62693849 0.97201779
0.17289705 0.74747463 0.86906831
0.93538718 0.64870259 0.04074942
0.74749054 0.88786979 0.79061062
0.61982837 0.51900015 0.52130734
0.80751394 0.76317653 0.43273373
0.06815278 0.68321608 0.96810725
0.71922667 0.62420896 0.45096866
No title
1
14.875554 0.193253 -0.387503
0.192245 13.751146 -0.175535
-0.378313 -0.172135 14.074132
C H O N
43 30 7 2
Direct configuration= 66
0.75440078 0.56342636 0.37690852
0.74833898 0.46157463 0.37673320
0.79781806 0.40474419 0.31362937
0.80180740 0.60562510 0.30549976
0.85109373 0.54868870 0.24266894
0.85396951 0.44757222 0.25076855
0.00085474 0.39582906 0.20068822
0.05187201 0.31159221 0.18152433
0.14588690 0.31227040 0.18969355
0.04576352 0.48210404 0.22280553
0.13951406 0.48127649 0.22923553
0.19270040 0.39664916 0.21662188
0.29507393 0.39776770 0.24108528
0.34264529 0.45825224 0.16876672
0.34119084 0.56053956 0.17503653
0.38352497 0.61651754 0.11039065
0.38991107 0.41435349 0.09459939
0.43315045 0.46969627 0.02962391
0.42989775 0.57090556 0.03742104
0.55746962 0.65884839 0.00560892
0.56673552 0.75494599 0.03806529
0.65063788 0.78598065 0.07472041
0.63158774 0.59432529 0.00435991
0.71506078 0.62587316 0.04034200
0.72425621 0.72093394 0.07693287
0.31012810 0.44300409 0.34261507
0.33627986 0.29390991 0.24536065
0.09601023 0.74297615 0.89473574
0.97656966 0.69162937 -0.01841253
0.94001791 0.76310325 0.91021479
0.85133918 0.79398710 0.89014094
0.83662957 0.86077114 0.81726881
0.71149693 0.82315095 0.72086743
0.64622191 0.75809373 0.74566480
0.62007963 0.68184711 0.68284511
0.66023390 0.67424473 0.59562018
0.65919197 0.59547201 0.52137482
0.75492780 0.71687994 0.47658287
0.71905560 0.74484233 0.56956031
0.74472275 0.82163723 0.62962288
0.90808626 0.89905684 0.77057219
0.99646597 0.86434152 0.78937888
0.01154731 0.79496340 0.85930134
0.79542982 0.32565072 0.31531757
0.70635729 0.42689660 0.42613987
0.80295098 0.68402217 0.30058762
0.88737915 0.58493542 0.18910776
0.18238795 0.24366772 0.17745826
0.01729983 0.24408671 0.16435167
0.00953860 0.54962035 0.23823614
0.17099097 0.55044488 0.24740521
0.38212240 0.69559616 0.11695023
0.30709781 0.59851376 0.23219351
0.39448746 0.33528753 0.08685486
0.47060914 0.43444464 0.97341547
0.65787018 0.86028762 0.10237455
0.50777271 0.80400945 0.03482244
0.62224806 0.52081052 0.97554676
0.77370329 0.57678088 0.04041273
0.38248473 0.44664948 0.36215970
0.27797580 0.39854958 0.39429586
0.28105896 0.51674400 0.34942626
0.40904182 0.29738161 0.26319705
0.32795341 0.25161337 0.17843109
0.30473380 0.25286610 0.30012659
0.79443382 0.76729938 0.92679310
0.61966417 0.76468439 0.81619889
0.57342086 0.62772564 0.70425608
0.79220591 0.87482690 0.60894682
0.89336985 0.95519857 0.71821060
0.05074587 0.89065052 0.74869055
0.11191917 0.63964604 0.00634189
0.78970857 0.74366437 0.10613788
0.90804056 0.38501424 0.19752022
0.47266173 0.62703693 0.97193079
0.17286103 0.74796634 0.86897398
0.93582514 0.64817110 0.04020882
0.74776916 0.88777786 0.79040637
0.61871184 0.51922540 0.52049123
0.80762810 0.76318733 0.43271578
0.06861087 0.68353328 0.96796636
0.71880887 0.62425143 0.45061195
No title
1
14.879692 0.194321 -0.385204
0.193342 13.745172 -0.175308
-0.376198 -0.171858 14.076488
C H O N
43 30 7 2
Direct configuration= 67
0.75429334 0.56344587 0.37681591
0.74854079 0.46155722 0.37684424
0.79804299 0.40474603 0.31380234
0.80154544 0.60564790 0.30534930
0.85094280 0.54877038 0.24261461
0.85401467 0.44763121 0.25084587
0.00099463 0.39584069 0.20074289
0.05198597 0.31161177 0.18153052
0.14592719 0.31227734 0.18973171
0.04578063 0.48219767 0.22287920
0.13949910 0.48131008 0.22932046
0.19276939 0.39665929 0.21674160
0.29515742 0.39766477 0.24121847
0.34263100 0.45822305 0.16874251
0.34120940 0.56057450 0.17496924
0.38347577 0.61655834 0.11034255
0.38976784 0.41430562 0.09450111
0.43295445 0.46965506 0.02952708
0.42971224 0.57090123 0.03735756
0.55728962 0.65883843 0.00577580
0.56651300 0.75495372 0.03828198
0.65033459 0.78607946 0.07494536
0.63140046 0.59426187 0.00464965
0.71486113 0.62582101 0.04052002
0.72398685 0.72096669 0.07702975
0.31023595 0.44299575 0.34267765
0.33624532 0.29372214 0.24531775
0.09614832 0.74320249 0.89461690
0.97678697 0.69176390 -0.01861975
0.94025449 0.76323535 0.91020115
0.85159260 0.79405403 0.89021051
0.83674346 0.86086765 0.81718401
0.71164409 0.82286049 0.72093032
0.64632639 0.75793999 0.74575464
0.62012110 0.68167977 0.68280695
0.66025235 0.67405088 0.59550463
0.65899123 0.59558475 0.52117762
0.75486695 0.71682239 0.47655791
0.71910882 0.74466463 0.56952082
0.74486471 0.82145362 0.62965545
0.90814741 0.89928700 0.77068058
0.99658028 0.86450647 0.78940512
0.01174312 0.79502408 0.85923840
0.79590191 0.32566486 0.31559247
0.70673970 0.42692751 0.42639168
0.80238277 0.68412996 0.30034301
0.88722422 0.58497522 0.18902119
0.18239820 0.24362007 0.17750470
0.01747014 0.24413152 0.16428936
0.00946811 0.54966516 0.23828567
0.17103708 0.55052283 0.24754922
0.38202605 0.69564293 0.11682356
0.30718088 0.59854984 0.23214794
0.39433372 0.33516115 0.08672489
0.47021452 0.43442794 0.97321792
0.65748283 0.86028002 0.10241491
0.50754176 0.80397391 0.03499109
0.62207843 0.52067453 0.97587659
0.77361227 0.57674202 0.04059150
0.38259364 0.44656048 0.36214206
0.27813456 0.39856762 0.39441897
0.28119579 0.51681753 0.34941492
0.40896287 0.29709313 0.26302896
0.32776575 0.25165765 0.17831939
0.30470899 0.25266451 0.30003002
0.79477827 0.76736888 0.92697343
0.61964509 0.76455885 0.81619405
0.57346126 0.62756637 0.70411393
0.79228633 0.87475233 0.60899208
0.89356044 0.95546126 0.71819125
0.05092508 0.89072250 0.74877529
0.11231360 0.63980082 0.00612296
0.78948375 0.74370524 0.10610573
0.90819307 0.38489387 0.19757416
0.47258424 0.62708546 0.97188799
0.17284328 0.74820871 0.86892755
0.93604082 0.64790910 0.03994261
0.74790633 0.88773252 0.79030578
0.61816239 0.51933654 0.52008965
0.80768429 0.76319265 0.43270692
0.06883634 0.68368960 0.96789692
0.71860327 0.62427241 0.45043641
No title
1
14.885635 0.195943 -0.378655
0.195074 13.729472 -0.174208
-0.370077 -0.170615 14.080742
C H O N
43 30 7 2
Direct configuration= 68
0.75401743 0.56353140 0.37661747
0.74895270 0.46152652 0.37707190
0.79861302 0.40470827 0.31418131
0.80092657 0.60583392 0.30504172
0.85063504 0.54886655 0.24250224
0.85419596 0.44764877 0.25097752
0.00122918 0.39584861 0.20090474
0.05227474 0.31155959 0.18151659
0.14609866 0.31222300 0.18984164
0.04585945 0.48234232 0.22303604
0.13956508 0.48154106 0.22961729
0.19273905 0.39668450 0.21705964
0.29535736 0.39745178 0.24140289
0.34261421 0.45815939 0.16872999
0.34119575 0.56056784 0.17485279
0.38340732 0.61666156 0.11017788
0.38940486 0.41421784 0.09428732
0.43253708 0.46962945 0.02929890
0.42942117 0.57088603 0.03714257
0.55681596 0.65876629 0.00604138
0.56589050 0.75508640 0.03872345
0.64964117 0.78601946 0.07530053
0.63092667 0.59420813 0.00525359
0.71452660 0.62576913 0.04094687
0.72347750 0.72099568 0.07722700
0.31050101 0.44297927 0.34276038
0.33618232 0.29332891 0.24520511
0.09631682 0.74366359 0.89451112
0.97704350 0.69179678 -0.01882407
0.94059865 0.76341690 0.91020525
0.85220047 0.79420123 0.89022349
0.83708227 0.86103637 0.81718981
0.71194251 0.82232648 0.72100485
0.64658691 0.75746820 0.74584273
0.62030018 0.68137852 0.68267540
0.66026533 0.67381861 0.59550128
0.65847484 0.59544878 0.52055945
0.75489878 0.71678020 0.47632124
0.71919108 0.74441795 0.56952863
0.74509873 0.82087888 0.62976585
0.90836790 0.89978855 0.77077115
0.99681709 0.86488283 0.78949971
0.01204185 0.79535861 0.85898325
0.79691041 0.32565271 0.31616079
0.70756122 0.42698033 0.42697774
0.80119487 0.68436105 0.29980874
0.88682860 0.58492334 0.18876650
0.18241486 0.24352820 0.17760706
0.01776993 0.24416318 0.16410142
0.00932716 0.54979844 0.23836113
0.17114306 0.55062182 0.24788996
0.38180139 0.69582635 0.11658352
0.30734666 0.59864933 0.23209339
0.39399679 0.33500308 0.08644430
0.46940995 0.43432031 0.97269632
0.65670462 0.86039754 0.10251783
0.50709787 0.80388438 0.03539240
0.62179893 0.52035360 0.97661496
0.77341107 0.57666476 0.04094874
0.38281707 0.44633185 0.36213336
0.27850119 0.39856389 0.39466810
0.28148173 0.51697099 0.34938060
0.40874013 0.29645723 0.26276589
0.32732223 0.25179290 0.17803059
0.30472917 0.25226887 0.29988302
0.79561801 0.76744554 0.92738221
0.61961314 0.76426522 0.81628458
0.57348733 0.62724960 0.70379971
0.79254753 0.87458576 0.60902575
0.89399174 0.95588112 0.71815311
0.05139711 0.89088853 0.74904309
0.11312510 0.64004136 0.00570103
0.78908738 0.74382644 0.10606535
0.90836518 0.38486238 0.19771727
0.47238799 0.62710556 0.97194046
0.17279514 0.74874165 0.86882185
0.93671903 0.64750152 0.03929955
0.74798483 0.88771713 0.79003438
0.61714735 0.51986676 0.51920406
0.80763061 0.76308495 0.43287929
0.06934412 0.68424683 0.96750913
0.71826256 0.62439346 0.45009204
No title
1
14.887518 0.196457 -0.376579
0.195623 13.724497 -0.173860
-0.368138 -0.170221 14.082090
C H O N
43 30 7 2
Direct configuration= 69
0.75393007 0.56355854 0.37655465
0.74908314 0.46151676 0.37714395
0.79879352 0.40469626 0.31430127
0.80073058 0.60589296 0.30494438
0.85053758 0.54889707 0.24246670
0.85425337 0.44765433 0.25101919
0.00130345 0.39585111 0.20095598
0.05236621 0.31154303 0.18151213
0.14615296 0.31220576 0.18987644
0.04588439 0.48238819 0.22308570
0.13958592 0.48161432 0.22971129
0.19272940 0.39669249 0.21716038
0.29542068 0.39738420 0.24146128
0.34260889 0.45813920 0.16872602
0.34119144 0.56056573 0.17481590
0.38338566 0.61669432 0.11012572
0.38928993 0.41419002 0.09421966
0.43240491 0.46962134 0.02922669
0.42932901 0.57088122 0.03707452
0.55666591 0.65874341 0.00612558
0.56569327 0.75512850 0.03886338
0.64942151 0.78600044 0.07541314
0.63077653 0.59419108 0.00544497
0.71442060 0.62575267 0.04108213
0.72331615 0.72100489 0.07728956
0.31058495 0.44297403 0.34278655
0.33616240 0.29320418 0.24516945
0.09637018 0.74380985 0.89447757
0.97712477 0.69180721 -0.01888883
0.94070765 0.76347448 0.91020649
0.85239299 0.79424791 0.89022750
0.83718957 0.86108988 0.81719160
0.71203703 0.82215706 0.72102843
0.64666943 0.75731853 0.74587061
0.62035693 0.68128296 0.68263370
0.66026945 0.67374492 0.59550023
0.65831138 0.59540568 0.52036371
0.75490889 0.71676682 0.47624627
0.71921714 0.74433970 0.56953109
0.74517285 0.82069654 0.62980079
0.90843770 0.89994764 0.77079979
0.99689207 0.86500221 0.78952963
0.01213648 0.79546472 0.85890238
0.79722976 0.32564880 0.31634065
0.70782133 0.42699704 0.42716326
0.80081869 0.68443441 0.29963967
0.88670334 0.58490690 0.18868588
0.18242012 0.24349905 0.17763948
0.01786490 0.24417322 0.16404184
0.00928250 0.54984072 0.23838505
0.17117658 0.55065320 0.24799788
0.38173025 0.69588455 0.11650752
0.30739918 0.59868089 0.23207609
0.39389012 0.33495296 0.08635547
0.46915520 0.43428621 0.97253122
0.65645812 0.86043485 0.10255054
0.50695723 0.80385599 0.03551959
0.62171032 0.52025178 0.97684890
0.77334730 0.57664025 0.04106193
0.38288784 0.44625932 0.36213057
0.27861728 0.39856268 0.39474695
0.28157230 0.51701966 0.34936968
0.40866965 0.29625553 0.26268261
0.32718178 0.25183583 0.17793917
0.30473560 0.25214337 0.29983646
0.79588392 0.76746982 0.92751156
0.61960302 0.76417207 0.81631327
0.57349564 0.62714912 0.70370018
0.79263026 0.87453291 0.60903638
0.89412834 0.95601429 0.71814096
0.05154657 0.89094118 0.74912784
0.11338217 0.64011764 0.00556726
0.78896184 0.74386490 0.10605262
0.90841968 0.38485238 0.19776258
0.47232582 0.62711194 0.97195711
0.17277989 0.74891072 0.86878836
0.93693395 0.64737221 0.03909576
0.74800973 0.88771225 0.78994840
0.61682595 0.52003502 0.51892368
0.80761358 0.76305078 0.43293390
0.06950497 0.68442359 0.96738620
0.71815468 0.62443189 0.44998301
No title
1
14.894023 0.200660 -0.371418
0.199725 13.709821 -0.173543
-0.363282 -0.169799 14.089524
C H O N
43 30 7 2
Direct configuration= 70
0.75361255 0.56365975 0.37633911
0.74948834 0.46151525 0.37738772
0.79944040 0.40464225 0.31473856
0.80008389 0.60616738 0.30455038
0.85024106 0.54894218 0.24235274
0.85453073 0.44761903 0.25111139
0.00143518 0.39582357 0.20113802
0.05263293 0.31148620 0.18150166
0.14636997 0.31214263 0.19003785
0.04600654 0.48249955 0.22327146
0.13970955 0.48185350 0.23010923
0.19269044 0.39674265 0.21756750
0.29550510 0.39728874 0.24153070
0.34257235 0.45800513 0.16878749
0.34113454 0.56055783 0.17474812
0.38327530 0.61677806 0.10995054
0.38889213 0.41408133 0.09398762
0.43196686 0.46955530 0.02890195
0.42911479 0.57089662 0.03681391
0.55619058 0.65875573 0.00639136
0.56506810 0.75505307 0.03923704
0.64872012 0.78576752 0.07566992
0.63034458 0.59408214 0.00600087
0.71408753 0.62567206 0.04151464
0.72290053 0.72108156 0.07753297
0.31086261 0.44293167 0.34281383
0.33603510 0.29289848 0.24501354
0.09623087 0.74430281 0.89447389
0.97760074 0.69182709 -0.01922881
0.94107047 0.76362212 0.91012029
0.85282572 0.79442488 0.89013777
0.83748616 0.86131523 0.81727492
0.71233954 0.82175471 0.72111184
0.64693091 0.75671177 0.74595008
0.62052672 0.68097745 0.68260046
0.66032449 0.67360089 0.59547463
0.65793001 0.59557491 0.51975510
0.75470938 0.71658765 0.47626468
0.71927659 0.74408090 0.56952418
0.74554525 0.82020660 0.62989313
0.90880282 0.90040525 0.77074972
0.99713926 0.86553061 0.78953878
0.01218515 0.79589123 0.85877343
0.79826421 0.32548443 0.31692861
0.70863783 0.42697881 0.42784971
0.79963352 0.68471247 0.29905101
0.88623837 0.58475414 0.18833365
0.18249472 0.24334809 0.17773467
0.01808597 0.24407369 0.16377828
0.00916150 0.55001633 0.23843601
0.17131952 0.55078272 0.24840607
0.38149019 0.69616704 0.11629654
0.30754460 0.59881194 0.23208053
0.39352497 0.33489161 0.08606123
0.46837154 0.43410724 0.97190493
0.65571847 0.86068968 0.10269409
0.50638117 0.80391490 0.03597273
0.62149571 0.51996824 0.97767083
0.77305162 0.57660272 0.04140297
0.38313021 0.44600828 0.36214968
0.27901392 0.39853096 0.39497315
0.28188739 0.51712999 0.34933123
0.40850066 0.29557589 0.26251349
0.32669601 0.25195475 0.17757286
0.30478983 0.25172051 0.29977735
0.79683841 0.76748859 0.92791892
0.61962756 0.76381664 0.81641107
0.57346702 0.62686165 0.70337258
0.79286052 0.87418866 0.60907088
0.89456878 0.95632658 0.71810200
0.05209049 0.89116534 0.74946697
0.11397731 0.64049752 0.00498279
0.78855440 0.74403452 0.10602227
0.90853824 0.38505805 0.19792219
0.47205628 0.62705350 0.97203321
0.17315542 0.74953634 0.86850738
0.93758446 0.64683870 0.03872840
0.74807530 0.88768656 0.78972585
0.61570325 0.52035214 0.51791260
0.80773834 0.76308711 0.43297204
0.07005534 0.68484484 0.96716981
0.71788737 0.62454760 0.44960429
No title
1
14.894997 0.201290 -0.370645
0.200339 13.707623 -0.173496
-0.362555 -0.169736 14.090637
C H O N
43 30 7 2
Direct configuration= 71
0.75356504 0.56367493 0.37630687
0.74954897 0.46151500 0.37742418
0.79953719 0.40463413 0.31480396
0.79998712 0.60620854 0.30449145
0.85019669 0.54894896 0.24233571
0.85457224 0.44761373 0.25112518
0.00145488 0.39581944 0.20116526
0.05267284 0.31147768 0.18150008
0.14640244 0.31213316 0.19006199
0.04602481 0.48251623 0.22329925
0.13972802 0.48188935 0.23016877
0.19268459 0.39675016 0.21762842
0.29551773 0.39727443 0.24154108
0.34256688 0.45798504 0.16879669
0.34112603 0.56055664 0.17473799
0.38325879 0.61679061 0.10992433
0.38883262 0.41406506 0.09395292
0.43190132 0.46954542 0.02885338
0.42908275 0.57089894 0.03677492
0.55611943 0.65875760 0.00643116
0.56497453 0.75504180 0.03929300
0.64861515 0.78573264 0.07570838
0.63027991 0.59406582 0.00608408
0.71403767 0.62565999 0.04157939
0.72283832 0.72109307 0.07756941
0.31090416 0.44292531 0.34281789
0.33601607 0.29285267 0.24499022
0.09621001 0.74437670 0.89447335
0.97767198 0.69183004 -0.01927971
0.94112476 0.76364424 0.91010736
0.85289048 0.79445139 0.89012432
0.83753053 0.86134899 0.81728737
0.71238483 0.82169439 0.72112431
0.64697007 0.75662082 0.74596196
0.62055214 0.68093166 0.68259548
0.66033274 0.67357930 0.59547080
0.65787296 0.59560029 0.51966404
0.75467953 0.71656080 0.47626745
0.71928549 0.74404211 0.56952314
0.74560100 0.82013315 0.62990693
0.90885745 0.90047382 0.77074221
0.99717623 0.86560980 0.78954013
0.01219242 0.79595516 0.85875414
0.79841900 0.32545974 0.31701654
0.70875999 0.42697604 0.42795238
0.79945618 0.68475420 0.29896299
0.88616881 0.58473127 0.18828097
0.18250589 0.24332546 0.17774891
0.01811907 0.24405877 0.16373882
0.00914338 0.55004266 0.23844364
0.17134089 0.55080213 0.24846714
0.38145426 0.69620939 0.11626499
0.30756635 0.59883158 0.23208119
0.39347034 0.33488243 0.08601722
0.46825431 0.43408046 0.97181126
0.65560776 0.86072791 0.10271561
0.50629493 0.80392375 0.03604057
0.62146356 0.51992575 0.97779384
0.77300736 0.57659710 0.04145402
0.38316649 0.44597064 0.36215253
0.27907327 0.39852618 0.39500697
0.28193454 0.51714651 0.34932546
0.40847541 0.29547403 0.26248819
0.32662332 0.25197260 0.17751807
0.30479797 0.25165713 0.29976850
0.79698123 0.76749136 0.92797982
0.61963125 0.76376337 0.81642570
0.57346277 0.62681857 0.70332356
0.79289499 0.87413705 0.60907603
0.89463468 0.95637337 0.71809614
0.05217187 0.89119891 0.74951769
0.11406639 0.64055443 0.00489529
0.78849341 0.74405996 0.10601775
0.90855596 0.38508887 0.19794607
0.47201594 0.62704476 0.97204461
0.17321161 0.74963010 0.86846531
0.93768186 0.64675870 0.03867339
0.74808512 0.88768271 0.78969254
0.61553527 0.52039973 0.51776136
0.80775700 0.76309255 0.43297774
0.07013770 0.68490796 0.96713739
0.71784738 0.62456495 0.44954763
No title
1
14.897880 0.206558 -0.366215
0.205352 13.694555 -0.173458
-0.358271 -0.169616 14.099709
C H O N
43 30 7 2
Direct configuration= 72
0.75330114 0.56378150 0.37600291
0.74990742 0.46149636 0.37769284
0.80018832 0.40454630 0.31527128
0.79938733 0.60639428 0.30401578
0.84990571 0.54901506 0.24223472
0.85480469 0.44765695 0.25129577
0.00157042 0.39581196 0.20134037
0.05281687 0.31140811 0.18150483
0.14656884 0.31211213 0.19026565
0.04613977 0.48261374 0.22352064
0.13978880 0.48201804 0.23059584
0.19276791 0.39679431 0.21805913
0.29545800 0.39728516 0.24158176
0.34250960 0.45783966 0.16885871
0.34107326 0.56059906 0.17469500
0.38306829 0.61685534 0.10981028
0.38846972 0.41402097 0.09371195
0.43145490 0.46938507 0.02845472
0.42886490 0.57089204 0.03660164
0.55574276 0.65871706 0.00667538
0.56437403 0.75484393 0.03958339
0.64805377 0.78568718 0.07597398
0.63000444 0.59394257 0.00657980
0.71362749 0.62555784 0.04195693
0.72247509 0.72115674 0.07780745
0.31115411 0.44284033 0.34281381
0.33582469 0.29263911 0.24481188
0.09672053 0.74494619 0.89421719
0.97822553 0.69168710 -0.01950050
0.94142863 0.76378238 0.90992056
0.85313804 0.79462810 0.89001600
0.83773325 0.86169720 0.81726555
0.71266031 0.82137397 0.72118288
0.64725536 0.75610523 0.74613724
0.62065114 0.68055736 0.68264537
0.66039549 0.67341025 0.59530838
0.65742127 0.59576590 0.51919387
0.75462152 0.71656790 0.47625154
0.71936381 0.74381131 0.56951629
0.74603805 0.81980473 0.63003022
0.90919060 0.90077077 0.77067375
0.99743009 0.86621687 0.78946815
0.01213264 0.79635263 0.85883465
0.79940915 0.32517648 0.31760159
0.70953275 0.42689746 0.42865578
0.79835841 0.68510641 0.29834633
0.88567678 0.58452461 0.18786208
0.18266384 0.24311298 0.17782715
0.01828777 0.24388080 0.16343611
0.00907504 0.55021329 0.23846601
0.17152305 0.55101535 0.24892463
0.38122333 0.69649037 0.11609165
0.30767829 0.59898238 0.23213975
0.39309948 0.33483043 0.08571894
0.46752668 0.43386417 0.97116738
0.65492541 0.86088876 0.10282376
0.50564483 0.80411093 0.03651021
0.62130313 0.51968809 0.97862480
0.77264667 0.57657289 0.04175755
0.38341539 0.44572916 0.36217631
0.27946921 0.39849279 0.39516173
0.28227008 0.51719125 0.34929676
0.40838159 0.29480985 0.26238504
0.32615267 0.25204872 0.17714344
0.30486188 0.25124693 0.29975505
0.79788576 0.76744848 0.92835067
0.61974409 0.76335188 0.81644007
0.57339712 0.62658541 0.70300997
0.79308895 0.87364632 0.60911261
0.89502164 0.95663439 0.71800360
0.05273891 0.89149451 0.74987111
0.11449995 0.64097583 0.00425387
0.78808803 0.74428442 0.10600642
0.90874497 0.38536472 0.19801230
0.47175309 0.62698855 0.97201518
0.17320035 0.75027066 0.86827824
0.93834927 0.64628563 0.03840322
0.74827114 0.88761469 0.78961259
0.61458880 0.52080403 0.51670613
0.80776823 0.76301881 0.43310306
0.07048783 0.68522661 0.96707156
0.71758422 0.62466429 0.44925687
No title
1
14.898898 0.208416 -0.364652
0.207120 13.689944 -0.173445
-0.356759 -0.169573 14.102909
C H O N
43 30 7 2
Direct configuration= 73
0.75320808 0.56381917 0.37589578
0.75003383 0.46148972 0.37778752
0.80041796 0.40451519 0.31543596
0.79917580 0.60645995 0.30384814
0.84980308 0.54903845 0.24219915
0.85488665 0.44767217 0.25135589
0.00161115 0.39580930 0.20140210
0.05286768 0.31138352 0.18150649
0.14662752 0.31210468 0.19033744
0.04618028 0.48264816 0.22359867
0.13981018 0.48206347 0.23074640
0.19279725 0.39680988 0.21821097
0.29543692 0.39728896 0.24159611
0.34248941 0.45778833 0.16888059
0.34105464 0.56061405 0.17467985
0.38300110 0.61687823 0.10977009
0.38834175 0.41400545 0.09362704
0.43129750 0.46932851 0.02831421
0.42878808 0.57088964 0.03654058
0.55560988 0.65870280 0.00676153
0.56416222 0.75477414 0.03968584
0.64785574 0.78567121 0.07606768
0.62990723 0.59389908 0.00675461
0.71348279 0.62552182 0.04209009
0.72234694 0.72117927 0.07789141
0.31124229 0.44281029 0.34281234
0.33575723 0.29256372 0.24474903
0.09690057 0.74514723 0.89412681
0.97842083 0.69163655 -0.01957840
0.94153582 0.76383112 0.90985467
0.85322535 0.79469047 0.88997778
0.83780472 0.86182014 0.81725783
0.71275751 0.82126079 0.72120350
0.64735604 0.75592313 0.74619900
0.62068610 0.68042518 0.68266295
0.66041766 0.67335054 0.59525111
0.65726197 0.59582444 0.51902815
0.75460106 0.71657042 0.47624594
0.71939147 0.74372980 0.56951386
0.74619223 0.81968870 0.63007363
0.90930808 0.90087559 0.77064958
0.99751957 0.86643122 0.78944274
0.01211149 0.79649299 0.85886304
0.79975837 0.32507632 0.31780775
0.70980525 0.42686960 0.42890369
0.79797122 0.68523093 0.29812904
0.88550329 0.58445170 0.18771445
0.18271957 0.24303793 0.17785471
0.01834732 0.24381793 0.16332936
0.00905091 0.55027356 0.23847390
0.17158723 0.55109062 0.24908590
0.38114186 0.69658963 0.11603056
0.30771774 0.59903561 0.23216038
0.39296871 0.33481212 0.08561382
0.46727013 0.43378789 0.97094046
0.65468470 0.86094566 0.10286197
0.50541545 0.80417712 0.03667586
0.62124649 0.51960418 0.97891778
0.77251941 0.57656439 0.04186461
0.38350321 0.44564385 0.36218467
0.27960886 0.39848094 0.39521624
0.28238843 0.51720701 0.34928660
0.40834859 0.29457533 0.26234868
0.32598669 0.25207566 0.17701141
0.30488448 0.25110207 0.29975029
0.79820477 0.76743321 0.92848132
0.61978394 0.76320656 0.81644513
0.57337403 0.62650308 0.70289942
0.79315741 0.87347300 0.60912548
0.89515811 0.95672652 0.71797093
0.05293884 0.89159882 0.74999565
0.11465290 0.64112459 0.00402768
0.78794501 0.74436374 0.10600247
0.90881160 0.38546211 0.19803563
0.47166038 0.62696874 0.97200483
0.17319631 0.75049686 0.86821229
0.93858477 0.64611848 0.03830790
0.74833677 0.88759064 0.78958439
0.61425503 0.52094694 0.51633421
0.80777218 0.76299277 0.43314724
0.07061129 0.68533909 0.96704830
0.71749142 0.62469941 0.44915439
No title
1
14.900400 0.214073 -0.362490
0.212460 13.678544 -0.173995
-0.354594 -0.170061 14.111557
C H O N
43 30 7 2
Direct configuration= 74
0.75301676 0.56389624 0.37558321
0.75033424 0.46141528 0.37805834
0.80096205 0.40433542 0.31590289
0.79867937 0.60659943 0.30338357
0.84956655 0.54915022 0.24203995
0.85498260 0.44783469 0.25166176
0.00178451 0.39589166 0.20153961
0.05287299 0.31127174 0.18153595
0.14671011 0.31206791 0.19054824
0.04621152 0.48271628 0.22384633
0.13984775 0.48213700 0.23117587
0.19291781 0.39679024 0.21855697
0.29535487 0.39730214 0.24170992
0.34241619 0.45780874 0.16884155
0.34100710 0.56066579 0.17470000
0.38277321 0.61698116 0.10971686
0.38806234 0.41399815 0.09342464
0.43088173 0.46917632 0.02791976
0.42850328 0.57076167 0.03650628
0.55536443 0.65844855 0.00691205
0.56366058 0.75481491 0.03996252
0.64748338 0.78583850 0.07631120
0.62973594 0.59379951 0.00713263
0.71310971 0.62548805 0.04239895
0.72194014 0.72122694 0.07805985
0.31144742 0.44270405 0.34280515
0.33558905 0.29238814 0.24460348
0.09700702 0.74565557 0.89398712
0.97884787 0.69137286 -0.01960971
0.94161699 0.76385232 0.90972988
0.85344472 0.79490546 0.88983388
0.83793634 0.86211544 0.81716663
0.71300878 0.82101176 0.72123887
0.64767710 0.75560512 0.74632815
0.62083449 0.68011609 0.68263277
0.66034736 0.67313779 0.59515049
0.65677829 0.59589425 0.51868853
0.75465392 0.71666164 0.47618845
0.71955696 0.74366042 0.56959160
0.74641638 0.81933519 0.63027132
0.90943250 0.90107312 0.77052922
0.99776116 0.86679733 0.78956444
0.01236316 0.79694164 0.85888921
0.80060974 0.32479327 0.31834390
0.71047935 0.42676838 0.42950277
0.79708167 0.68554502 0.29753245
0.88503863 0.58424052 0.18728106
0.18291982 0.24286900 0.17792264
0.01849167 0.24365912 0.16304557
0.00905842 0.55040289 0.23846788
0.17173383 0.55129655 0.24952459
0.38094902 0.69673244 0.11591126
0.30778716 0.59918116 0.23225027
0.39262292 0.33471301 0.08533585
0.46665879 0.43356670 0.97037831
0.65411597 0.86094188 0.10291197
0.50487898 0.80434035 0.03710444
0.62114378 0.51938593 0.97963680
0.77215261 0.57651401 0.04210197
0.38372293 0.44544175 0.36217086
0.27994237 0.39845191 0.39526145
0.28271179 0.51718494 0.34928970
0.40826506 0.29402428 0.26225645
0.32560681 0.25210588 0.17674821
0.30493458 0.25079179 0.29970155
0.79879100 0.76730994 0.92879424
0.61997927 0.76278228 0.81641031
0.57323867 0.62629514 0.70267055
0.79342898 0.87303210 0.60912293
0.89541881 0.95693356 0.71781229
0.05347741 0.89198640 0.75027703
0.11504105 0.64133499 0.00358979
0.78759858 0.74462315 0.10602328
0.90906874 0.38567515 0.19794163
0.47148967 0.62695534 0.97182597
0.17353881 0.75114002 0.86789707
0.93921674 0.64582037 0.03806776
0.74858719 0.88750536 0.78962655
0.61360960 0.52147755 0.51537646
0.80774176 0.76288337 0.43328137
0.07077959 0.68575668 0.96684498
0.71723584 0.62481515 0.44899655
No title
1
14.900767 0.215455 -0.361961
0.213765 13.675758 -0.174129
-0.354064 -0.170180 14.113671
C H O N
43 30 7 2
Direct configuration= 75
0.75297002 0.56391511 0.37550688
0.75040765 0.46139704 0.37812448
0.80109501 0.40429140 0.31601692
0.79855807 0.60663359 0.30327012
0.84950875 0.54917758 0.24200108
0.85500602 0.44787444 0.25173646
0.00182687 0.39591179 0.20157318
0.05287430 0.31124439 0.18154315
0.14673029 0.31205891 0.19059972
0.04621914 0.48273295 0.22390681
0.13985691 0.48215498 0.23128077
0.19294726 0.39678543 0.21864147
0.29533482 0.39730538 0.24173772
0.34239830 0.45781373 0.16883202
0.34099548 0.56067846 0.17470493
0.38271751 0.61700635 0.10970387
0.38799407 0.41399639 0.09337521
0.43078016 0.46913913 0.02782344
0.42843370 0.57073040 0.03649792
0.55530447 0.65838639 0.00694882
0.56353799 0.75482494 0.04003012
0.64739237 0.78587946 0.07637069
0.62969408 0.59377517 0.00722497
0.71301853 0.62547983 0.04247440
0.72184072 0.72123864 0.07810100
0.31149756 0.44267805 0.34280338
0.33554797 0.29234521 0.24456794
0.09703299 0.74577990 0.89395300
0.97895225 0.69130832 -0.01961737
0.94163683 0.76385749 0.90969940
0.85349831 0.79495803 0.88979872
0.83796849 0.86218765 0.81714435
0.71307020 0.82095083 0.72124750
0.64775558 0.75552731 0.74635968
0.62087079 0.68004047 0.68262540
0.66033021 0.67308575 0.59512592
0.65666010 0.59591137 0.51860560
0.75466683 0.71668395 0.47617441
0.71959740 0.74364343 0.56961058
0.74647118 0.81924870 0.63031959
0.90946289 0.90112143 0.77049982
0.99782016 0.86688686 0.78959415
0.01242462 0.79705135 0.85889559
0.80081779 0.32472396 0.31847481
0.71064406 0.42674355 0.42964907
0.79686428 0.68562193 0.29738677
0.88492512 0.58418891 0.18717523
0.18296877 0.24282766 0.17793922
0.01852696 0.24362026 0.16297625
0.00906024 0.55043453 0.23846641
0.17176962 0.55134691 0.24963174
0.38090188 0.69676739 0.11588213
0.30780411 0.59921676 0.23227222
0.39253844 0.33468881 0.08526797
0.46650944 0.43351265 0.97024103
0.65397699 0.86094102 0.10292420
0.50474785 0.80438033 0.03720915
0.62111867 0.51933257 0.97981241
0.77206297 0.57650172 0.04215996
0.38377664 0.44539230 0.36216748
0.28002387 0.39844477 0.39527248
0.28279081 0.51717951 0.34929044
0.40824470 0.29388950 0.26223392
0.32551399 0.25211330 0.17668394
0.30494686 0.25071589 0.29968964
0.79893425 0.76727973 0.92887064
0.62002704 0.76267848 0.81640179
0.57320562 0.62624429 0.70261465
0.79349538 0.87292423 0.60912229
0.89548250 0.95698418 0.71777354
0.05360898 0.89208115 0.75034574
0.11513590 0.64138642 0.00348282
0.78751390 0.74468663 0.10602838
0.90913156 0.38572723 0.19791867
0.47144796 0.62695208 0.97178229
0.17362246 0.75129730 0.86782007
0.93937122 0.64574739 0.03800908
0.74864839 0.88748448 0.78963683
0.61345187 0.52160739 0.51514257
0.80773433 0.76285662 0.43331413
0.07082068 0.68585880 0.96679532
0.71717338 0.62484349 0.44895802
No title
1
14.900581 0.221390 -0.360686
0.219311 13.665160 -0.175616
-0.352707 -0.171647 14.121569
C H O N
43 30 7 2
Direct configuration= 76
0.75277485 0.56394942 0.37529696
0.75071488 0.46129158 0.37838740
0.80155533 0.40407195 0.31650830
0.79808373 0.60687166 0.30285250
0.84927531 0.54930742 0.24178736
0.85510425 0.44797863 0.25204347
0.00200303 0.39599210 0.20166163
0.05293389 0.31113378 0.18161782
0.14674153 0.31191792 0.19079826
0.04628896 0.48281250 0.22420521
0.13992334 0.48224273 0.23174072
0.19295359 0.39673262 0.21890947
0.29537603 0.39725260 0.24189094
0.34229192 0.45793108 0.16872093
0.34092958 0.56080593 0.17479385
0.38248715 0.61707008 0.10966640
0.38775714 0.41392960 0.09319528
0.43035712 0.46899239 0.02746262
0.42810280 0.57062732 0.03644391
0.55507215 0.65828076 0.00708841
0.56324213 0.75496839 0.04031262
0.64695737 0.78598039 0.07647555
0.62950383 0.59361475 0.00749097
0.71277427 0.62553859 0.04276937
0.72146284 0.72134744 0.07825397
0.31171321 0.44257947 0.34280339
0.33546585 0.29215546 0.24447802
0.09725704 0.74630394 0.89376498
0.97920944 0.69133128 -0.01987603
0.94175696 0.76381318 0.90961017
0.85370034 0.79510151 0.88974835
0.83812987 0.86237145 0.81700566
0.71328724 0.82074017 0.72143518
0.64811857 0.75530024 0.74631793
0.62104996 0.67981784 0.68256506
0.66024571 0.67299475 0.59509915
0.65642268 0.59632946 0.51830235
0.75453438 0.71658250 0.47632202
0.71969230 0.74345907 0.56973546
0.74660764 0.81895785 0.63050762
0.90948312 0.90127248 0.77034083
0.99810133 0.86717250 0.78977221
0.01278559 0.79743945 0.85899266
0.80161291 0.32445355 0.31900690
0.71127773 0.42663695 0.43017477
0.79609984 0.68583365 0.29676777
0.88447892 0.58399417 0.18668389
0.18317184 0.24276591 0.17801777
0.01865393 0.24349297 0.16270546
0.00910359 0.55057293 0.23845385
0.17183458 0.55146760 0.25005817
0.38073300 0.69681580 0.11580528
0.30784518 0.59935311 0.23238266
0.39218392 0.33455525 0.08500025
0.46594495 0.43329374 0.96974564
0.65350457 0.86099757 0.10300518
0.50430167 0.80448946 0.03761129
0.62106438 0.51907121 0.98044547
0.77169075 0.57640923 0.04236402
0.38397419 0.44520707 0.36209140
0.28029411 0.39839364 0.39524485
0.28310791 0.51713217 0.34933667
0.40810917 0.29342575 0.26209690
0.32520662 0.25210858 0.17654882
0.30496815 0.25049399 0.29956201
0.79926895 0.76714167 0.92906869
0.62030433 0.76223247 0.81637530
0.57304588 0.62608449 0.70245111
0.79383836 0.87249557 0.60911972
0.89563319 0.95715113 0.71754601
0.05403551 0.89254445 0.75063648
0.11544746 0.64150225 0.00313346
0.78713932 0.74495222 0.10605280
0.90930367 0.38596950 0.19776974
0.47130338 0.62686550 0.97158343
0.17381783 0.75191602 0.86757101
0.93985604 0.64536686 0.03803085
0.74882299 0.88739821 0.78968066
0.61275353 0.52183894 0.51423002
0.80792296 0.76292615 0.43324526
0.07119080 0.68620177 0.96655023
0.71697202 0.62500633 0.44880436
No title
1
14.900566 0.221850 -0.360587
0.219741 13.664340 -0.175731
-0.352602 -0.171760 14.122181
C H O N
43 30 7 2
Direct configuration= 77
0.75275974 0.56395209 0.37528071
0.75073867 0.46128340 0.37840774
0.80159098 0.40405493 0.31654633
0.79804699 0.60689012 0.30282018
0.84925723 0.54931749 0.24177082
0.85511185 0.44798671 0.25206723
0.00201667 0.39599832 0.20166848
0.05293850 0.31112520 0.18162360
0.14674240 0.31190700 0.19081363
0.04629436 0.48281867 0.22422830
0.13992848 0.48224953 0.23177632
0.19295408 0.39672853 0.21893021
0.29537922 0.39724851 0.24190280
0.34228368 0.45794018 0.16871233
0.34092447 0.56081581 0.17480073
0.38246931 0.61707502 0.10966350
0.38773879 0.41392443 0.09318136
0.43032437 0.46898103 0.02743470
0.42807718 0.57061934 0.03643973
0.55505416 0.65827258 0.00709922
0.56321921 0.75497952 0.04033449
0.64692368 0.78598823 0.07648367
0.62948910 0.59360232 0.00751155
0.71275535 0.62554316 0.04279220
0.72143357 0.72135588 0.07826582
0.31172991 0.44257182 0.34280339
0.33545949 0.29214075 0.24447106
0.09727438 0.74634454 0.89375043
0.97922936 0.69133305 -0.01989605
0.94176627 0.76380974 0.90960326
0.85371598 0.79511262 0.88974445
0.83814236 0.86238568 0.81699492
0.71330405 0.82072384 0.72144970
0.64814669 0.75528263 0.74631470
0.62106384 0.67980058 0.68256039
0.66023917 0.67298770 0.59509708
0.65640429 0.59636186 0.51827889
0.75452413 0.71657465 0.47633344
0.71969965 0.74344478 0.56974512
0.74661821 0.81893530 0.63052217
0.90948468 0.90128418 0.77032853
0.99812310 0.86719463 0.78978599
0.01281353 0.79746952 0.85900017
0.80167449 0.32443257 0.31904808
0.71132680 0.42662867 0.43021545
0.79604063 0.68585008 0.29671987
0.88444437 0.58397908 0.18664586
0.18318756 0.24276112 0.17802385
0.01866377 0.24348309 0.16268449
0.00910694 0.55058365 0.23845288
0.17183960 0.55147695 0.25009118
0.38071992 0.69681956 0.11579933
0.30784836 0.59936368 0.23239121
0.39215647 0.33454491 0.08497953
0.46590125 0.43327679 0.96970729
0.65346799 0.86100197 0.10301145
0.50426711 0.80449793 0.03764242
0.62106018 0.51905097 0.98049447
0.77166192 0.57640208 0.04237982
0.38398950 0.44519271 0.36208550
0.28031504 0.39838967 0.39524271
0.28313247 0.51712850 0.34934024
0.40809869 0.29338981 0.26208629
0.32518282 0.25210822 0.17653837
0.30496980 0.25047679 0.29955213
0.79929488 0.76713097 0.92908401
0.62032581 0.76219790 0.81637324
0.57303351 0.62607211 0.70243845
0.79386493 0.87246234 0.60911951
0.89564486 0.95716406 0.71752840
0.05406853 0.89258035 0.75065898
0.11547159 0.64151121 0.00310642
0.78711030 0.74497282 0.10605469
0.90931699 0.38598827 0.19775822
0.47129218 0.62685880 0.97156804
0.17383294 0.75196396 0.86755173
0.93989359 0.64533735 0.03803253
0.74883651 0.88739152 0.78968405
0.61269945 0.52185691 0.51415939
0.80793756 0.76293154 0.43323993
0.07121945 0.68622833 0.96653126
0.71695643 0.62501896 0.44879247
No title
1
14.897117 0.225410 -0.357544
0.223080 13.651642 -0.176898
-0.349535 -0.172876 14.127334
C H O N
43 30 7 2
Direct configuration= 78
0.75258505 0.56398643 0.37513704
0.75105332 0.46120348 0.37869368
0.80204520 0.40387053 0.31699184
0.79756466 0.60709490 0.30250481
0.84896140 0.54940999 0.24157886
0.85526876 0.44796927 0.25227859
0.00215380 0.39605124 0.20172350
0.05306323 0.31101332 0.18173117
0.14675455 0.31173150 0.19100813
0.04644136 0.48289783 0.22456392
0.14001438 0.48231027 0.23225133
0.19286008 0.39665456 0.21915882
0.29553579 0.39715289 0.24199622
0.34213699 0.45801405 0.16860707
0.34084627 0.56100760 0.17489949
0.38226262 0.61706878 0.10961624
0.38750552 0.41380814 0.09300950
0.42988345 0.46882577 0.02712779
0.42774417 0.57061896 0.03625506
0.55481881 0.65839659 0.00725339
0.56296519 0.75505182 0.04052646
0.64647860 0.78604001 0.07651199
0.62927656 0.59348958 0.00773977
0.71256573 0.62563233 0.04304023
0.72113743 0.72152925 0.07840749
0.31196914 0.44247836 0.34280397
0.33544532 0.29194071 0.24441120
0.09768480 0.74682139 0.89359545
0.97927788 0.69137263 -0.02006574
0.94205053 0.76382056 0.90946704
0.85388050 0.79512734 0.88982213
0.83834188 0.86240558 0.81687791
0.71354900 0.82056993 0.72170088
0.64843258 0.75504012 0.74623858
0.62115994 0.67960686 0.68255413
0.66019261 0.67300364 0.59507037
0.65605096 0.59647790 0.51790679
0.75467389 0.71665904 0.47627176
0.71972383 0.74318270 0.56992802
0.74677717 0.81876871 0.63065448
0.90958681 0.90139018 0.77016152
0.99836690 0.86754137 0.78990173
0.01304823 0.79777073 0.85919400
0.80244649 0.32416065 0.31960056
0.71193510 0.42653023 0.43069054
0.79535065 0.68602621 0.29607140
0.88401481 0.58381402 0.18607944
0.18339079 0.24277509 0.17811286
0.01877683 0.24340765 0.16243374
0.00915089 0.55077416 0.23845481
0.17183193 0.55152123 0.25052344
0.38056964 0.69683840 0.11576160
0.30785410 0.59951151 0.23254611
0.39177944 0.33437763 0.08472579
0.46534815 0.43307416 0.96928166
0.65307302 0.86118348 0.10314537
0.50391814 0.80454447 0.03802548
0.62104118 0.51869128 0.98103527
0.77132708 0.57625703 0.04257607
0.38419410 0.44501398 0.36195112
0.28052133 0.39829943 0.39517433
0.28343446 0.51709886 0.34943341
0.40795869 0.29299691 0.26189849
0.32494234 0.25206205 0.17651807
0.30494204 0.25031507 0.29936222
0.79945477 0.76703732 0.92911072
0.62070510 0.76172526 0.81631905
0.57293054 0.62603151 0.70231244
0.79422828 0.87199056 0.60915372
0.89569373 0.95727740 0.71724887
0.05433414 0.89309859 0.75100596
0.11572649 0.64156372 0.00281144
0.78668521 0.74524445 0.10608066
0.90934320 0.38629159 0.19762465
0.47113477 0.62666888 0.97146540
0.17391369 0.75258306 0.86735685
0.94043959 0.64511730 0.03797064
0.74887658 0.88732864 0.78970561
0.61220268 0.52232979 0.51332362
0.80793115 0.76283604 0.43332925
0.07170837 0.68647892 0.96627830
0.71680199 0.62523871 0.44865151
No title
1
14.896354 0.226198 -0.356870
0.223819 13.648831 -0.177157
-0.348857 -0.173123 14.128475
C H O N
43 30 7 2
Direct configuration= 79
0.75254637 0.56399404 0.37510525
0.75112298 0.46118576 0.37875695
0.80214578 0.40382965 0.31709041
0.79745785 0.60714030 0.30243505
0.84889589 0.54943050 0.24153639
0.85530350 0.44796540 0.25232536
0.00218416 0.39606296 0.20173568
0.05309085 0.31098852 0.18175497
0.14675724 0.31169261 0.19105118
0.04647389 0.48291537 0.22463819
0.14003338 0.48232373 0.23235646
0.19283926 0.39663818 0.21920941
0.29557046 0.39713169 0.24201689
0.34210451 0.45803042 0.16858378
0.34082894 0.56105010 0.17492135
0.38221686 0.61706741 0.10960579
0.38745388 0.41378238 0.09297147
0.42978583 0.46879138 0.02705989
0.42767044 0.57061890 0.03621420
0.55476668 0.65842408 0.00728752
0.56290892 0.75506787 0.04056896
0.64638004 0.78605151 0.07651828
0.62922948 0.59346461 0.00779029
0.71252372 0.62565210 0.04309513
0.72107183 0.72156768 0.07843886
0.31202213 0.44245764 0.34280409
0.33544220 0.29189638 0.24439795
0.09777566 0.74692704 0.89356114
0.97928864 0.69138139 -0.02010329
0.94211348 0.76382294 0.90943688
0.85391693 0.79513060 0.88983932
0.83838607 0.86240997 0.81685201
0.71360323 0.82053581 0.72175645
0.64849590 0.75498636 0.74622171
0.62118123 0.67956393 0.68255274
0.66018230 0.67300717 0.59506446
0.65597272 0.59650363 0.51782445
0.75470705 0.71667774 0.47625811
0.71972919 0.74312462 0.56996849
0.74681237 0.81873179 0.63068375
0.90960943 0.90141366 0.77012456
0.99842087 0.86761819 0.78992734
0.01310018 0.79783747 0.85923689
0.80261743 0.32410036 0.31972279
0.71206979 0.42650839 0.43079565
0.79519788 0.68606527 0.29592792
0.88391972 0.58377745 0.18595410
0.18343579 0.24277818 0.17813254
0.01880188 0.24339092 0.16237824
0.00916061 0.55081637 0.23845524
0.17183021 0.55153105 0.25061911
0.38053636 0.69684259 0.11575325
0.30785535 0.59954428 0.23258040
0.39169596 0.33434058 0.08466965
0.46522570 0.43302929 0.96918748
0.65298554 0.86122373 0.10317503
0.50384085 0.80455481 0.03811027
0.62103696 0.51861158 0.98115495
0.77125293 0.57622491 0.04261952
0.38423942 0.44497435 0.36192137
0.28056701 0.39827942 0.39515919
0.28350133 0.51709228 0.34945402
0.40792771 0.29290984 0.26185692
0.32488909 0.25205183 0.17651359
0.30493591 0.25027923 0.29932019
0.79949018 0.76701655 0.92911662
0.62078912 0.76162050 0.81630703
0.57290774 0.62602252 0.70228455
0.79430876 0.87188599 0.60916127
0.89570457 0.95730251 0.71718701
0.05439292 0.89321343 0.75108275
0.11578294 0.64157534 0.00274615
0.78659106 0.74530467 0.10608643
0.90934900 0.38635881 0.19759509
0.47109993 0.62662680 0.97144269
0.17393155 0.75272025 0.86731373
0.94056051 0.64506851 0.03795691
0.74888545 0.88731471 0.78971038
0.61209269 0.52243459 0.51313868
0.80792974 0.76281488 0.43334902
0.07181663 0.68653442 0.96622230
0.71676779 0.62528742 0.44862032
No title
1
14.894369 0.229117 -0.353103
0.226578 13.636596 -0.178255
-0.345161 -0.174186 14.132388
C H O N
43 30 7 2
Direct configuration= 80
0.75239608 0.56408102 0.37503195
0.75144649 0.46116265 0.37904395
0.80261902 0.40369903 0.31744971
0.79701131 0.60720511 0.30219052
0.84856449 0.54945443 0.24136677
0.85544022 0.44795657 0.25245118
0.00227591 0.39610334 0.20179519
0.05315347 0.31088087 0.18185957
0.14683238 0.31159167 0.19124455
0.04658173 0.48298487 0.22496211
0.14010889 0.48231048 0.23279653
0.19281737 0.39654593 0.21945073
0.29569704 0.39705249 0.24201132
0.34195459 0.45801163 0.16853555
0.34073278 0.56116144 0.17499273
0.38206327 0.61707138 0.10952005
0.38717863 0.41366160 0.09282805
0.42936347 0.46869437 0.02679267
0.42734999 0.57060766 0.03594237
0.55453969 0.65849156 0.00738730
0.56252814 0.75511337 0.04063933
0.64609696 0.78622272 0.07660395
0.62902821 0.59347894 0.00801942
0.71230234 0.62568784 0.04325708
0.72080328 0.72173622 0.07852064
0.31225582 0.44236699 0.34277841
0.33544059 0.29173311 0.24432134
0.09792273 0.74724160 0.89365055
0.97954842 0.69140768 -0.02023537
0.94233983 0.76389789 0.90934539
0.85409763 0.79510590 0.88988827
0.83854851 0.86226097 0.81684607
0.71387937 0.82041622 0.72184280
0.64865719 0.75469945 0.74623793
0.62119648 0.67942368 0.68257419
0.66008643 0.67291900 0.59499161
0.65571098 0.59670387 0.51745468
0.75475941 0.71668084 0.47631932
0.71985883 0.74302202 0.57011249
0.74695825 0.81858835 0.63081523
0.90982796 0.90150083 0.76995163
0.99854824 0.86797221 0.79004075
0.01325318 0.79817041 0.85932511
0.80335524 0.32384202 0.32028711
0.71262827 0.42641362 0.43124346
0.79455927 0.68625542 0.29528301
0.88348498 0.58362850 0.18539216
0.18365405 0.24277637 0.17821624
0.01889931 0.24336231 0.16216020
0.00919941 0.55104248 0.23848330
0.17180669 0.55156674 0.25106716
0.38040778 0.69687725 0.11574691
0.30782865 0.59971848 0.23278429
0.39131018 0.33413559 0.08444283
0.46468728 0.43285241 0.96883578
0.65263826 0.86144578 0.10332227
0.50357726 0.80455783 0.03846339
0.62103166 0.51822297 0.98161226
0.77099024 0.57604459 0.04282023
0.38448713 0.44480368 0.36176186
0.28071599 0.39814689 0.39508474
0.28377592 0.51710202 0.34958118
0.40788520 0.29257525 0.26165126
0.32471130 0.25194633 0.17654315
0.30484358 0.25013218 0.29914059
0.79951953 0.76696621 0.92900959
0.62122628 0.76114639 0.81625260
0.57285037 0.62606542 0.70220192
0.79469018 0.87142603 0.60921933
0.89568096 0.95733621 0.71690827
0.05455674 0.89377129 0.75144552
0.11604604 0.64154857 0.00252141
0.78620057 0.74560485 0.10614560
0.90933944 0.38662432 0.19744795
0.47096896 0.62645016 0.97142692
0.17435254 0.75337214 0.86700575
0.94106923 0.64498173 0.03783026
0.74888913 0.88729722 0.78977801
0.61159071 0.52279340 0.51238576
0.80802474 0.76281700 0.43337544
0.07213111 0.68672969 0.96599917
0.71665651 0.62546455 0.44842658
No title
1
14.893385 0.230563 -0.351236
0.227945 13.630532 -0.178800
-0.343330 -0.174712 14.134327
C H O N
43 30 7 2
Direct configuration= 81
0.75232158 0.56412418 0.37499566
0.75160682 0.46115117 0.37918612
0.80285358 0.40363419 0.31762767
0.79678998 0.60723730 0.30206941
0.84840024 0.54946634 0.24128277
0.85550798 0.44795218 0.25251350
0.00232139 0.39612337 0.20182466
0.05318451 0.31082747 0.18191140
0.14686961 0.31154160 0.19134036
0.04663514 0.48301935 0.22512261
0.14014626 0.48230392 0.23301457
0.19280650 0.39650018 0.21957029
0.29575980 0.39701318 0.24200854
0.34188029 0.45800232 0.16851167
0.34068510 0.56121668 0.17502812
0.38198714 0.61707336 0.10947759
0.38704222 0.41360171 0.09275701
0.42915415 0.46864628 0.02666031
0.42719118 0.57060211 0.03580773
0.55442715 0.65852506 0.00743678
0.56233937 0.75513598 0.04067424
0.64595661 0.78630768 0.07664644
0.62892840 0.59348608 0.00813298
0.71219258 0.62570560 0.04333736
0.72067012 0.72181985 0.07856121
0.31237168 0.44232199 0.34276565
0.33543982 0.29165211 0.24428337
0.09799559 0.74739764 0.89369485
0.97967720 0.69142069 -0.02030085
0.94245203 0.76393504 0.90930003
0.85418720 0.79509364 0.88991251
0.83862905 0.86218703 0.81684309
0.71401626 0.82035686 0.72188554
0.64873716 0.75455710 0.74624594
0.62120405 0.67935411 0.68258481
0.66003893 0.67287526 0.59495553
0.65558126 0.59680323 0.51727150
0.75478536 0.71668237 0.47634965
0.71992309 0.74297111 0.57018381
0.74703056 0.81851718 0.63088036
0.90993631 0.90154404 0.76986592
0.99861133 0.86814782 0.79009695
0.01332897 0.79833556 0.85936882
0.80372094 0.32371380 0.32056661
0.71290507 0.42636656 0.43146528
0.79424277 0.68634980 0.29496355
0.88326957 0.58355463 0.18511376
0.18376224 0.24277545 0.17825768
0.01894764 0.24334810 0.16205215
0.00921862 0.55115465 0.23849720
0.17179497 0.55158447 0.25128917
0.38034404 0.69689446 0.11574378
0.30781538 0.59980491 0.23288532
0.39111899 0.33403394 0.08433049
0.46442045 0.43276470 0.96866157
0.65246608 0.86155597 0.10339529
0.50344655 0.80455937 0.03863840
0.62102902 0.51803020 0.98183884
0.77086002 0.57595517 0.04291971
0.38460996 0.44471898 0.36168279
0.28078986 0.39808113 0.39504782
0.28391201 0.51710683 0.34964416
0.40786419 0.29240926 0.26154935
0.32462317 0.25189401 0.17655781
0.30479785 0.25005923 0.29905160
0.79953409 0.76694123 0.92895655
0.62144303 0.76091114 0.81622555
0.57282193 0.62608671 0.70216098
0.79487929 0.87119782 0.60924803
0.89566929 0.95735291 0.71677016
0.05463785 0.89404804 0.75162527
0.11617650 0.64153525 0.00241002
0.78600697 0.74575382 0.10617499
0.90933469 0.38675603 0.19737505
0.47090406 0.62636254 0.97141912
0.17456120 0.75369548 0.86685312
0.94132143 0.64493862 0.03776744
0.74889094 0.88728855 0.78981151
0.61134194 0.52297143 0.51201277
0.80807183 0.76281805 0.43338851
0.07228700 0.68682651 0.96588858
0.71660135 0.62555242 0.44833060
No title
1
14.892001 0.232557 -0.346029
0.229847 13.618781 -0.179693
-0.338270 -0.175566 14.138432
C H O N
43 30 7 2
Direct configuration= 82
0.75220763 0.56421152 0.37497052
0.75198619 0.46115717 0.37947232
0.80333836 0.40354830 0.31796439
0.79638596 0.60728788 0.30180055
0.84807459 0.54944535 0.24103170
0.85556614 0.44802176 0.25257301
0.00235337 0.39616273 0.20192107
0.05320003 0.31077858 0.18201702
0.14697009 0.31150971 0.19153005
0.04663489 0.48307562 0.22542143
0.14017669 0.48223626 0.23342401
0.19298522 0.39641594 0.21987853
0.29576146 0.39696164 0.24194654
0.34175239 0.45790524 0.16851603
0.34056112 0.56120490 0.17505546
0.38184916 0.61710467 0.10936964
0.38668024 0.41349230 0.09261532
0.42871751 0.46856696 0.02641233
0.42684146 0.57051339 0.03555649
0.55414468 0.65841743 0.00745309
0.56202720 0.75521934 0.04072621
0.64569214 0.78657308 0.07675288
0.62875553 0.59342109 0.00832533
0.71194269 0.62566936 0.04343063
0.72039286 0.72196902 0.07856132
0.31258323 0.44222801 0.34271513
0.33543305 0.29153372 0.24418906
0.09857973 0.74771511 0.89367720
0.98023364 0.69152348 -0.02050098
0.94258238 0.76404286 0.90934137
0.85432598 0.79504355 0.88988184
0.83878577 0.86203475 0.81684180
0.71416605 0.82016508 0.72186396
0.64895104 0.75431338 0.74625624
0.62118682 0.67927668 0.68253735
0.65994577 0.67274724 0.59483391
0.65538412 0.59710123 0.51690149
0.75479604 0.71666676 0.47648263
0.72009228 0.74290906 0.57023289
0.74724805 0.81839847 0.63100641
0.91002961 0.90158726 0.76976368
0.99871002 0.86853110 0.79019130
0.01346932 0.79868164 0.85937730
0.80447716 0.32350829 0.32118037
0.71344769 0.42627510 0.43192509
0.79359270 0.68648441 0.29431182
0.88273662 0.58337757 0.18462533
0.18401651 0.24270198 0.17833145
0.01901670 0.24332422 0.16185359
0.00926506 0.55140305 0.23856658
0.17178645 0.55163739 0.25179537
0.38023663 0.69698544 0.11576347
0.30778574 0.59999413 0.23310460
0.39070069 0.33379040 0.08412362
0.46386081 0.43260315 0.96836199
0.65213398 0.86183360 0.10356105
0.50313554 0.80460665 0.03896392
0.62102758 0.51777318 0.98229053
0.77063191 0.57576411 0.04314538
0.38492609 0.44453945 0.36149789
0.28091265 0.39790434 0.39496037
0.28418214 0.51714931 0.34980494
0.40796978 0.29210452 0.26132589
0.32449981 0.25168087 0.17656474
0.30462923 0.24990005 0.29891258
0.79947773 0.76693097 0.92871318
0.62189415 0.76042717 0.81631607
0.57274003 0.62613593 0.70214984
0.79531767 0.87076665 0.60933191
0.89559656 0.95727782 0.71651338
0.05474826 0.89468872 0.75200456
0.11643685 0.64149368 0.00218500
0.78568487 0.74611092 0.10629232
0.90940990 0.38691179 0.19714749
0.47082638 0.62628345 0.97139641
0.17466517 0.75434159 0.86669612
0.94176080 0.64490648 0.03764203
0.74899458 0.88726002 0.78995957
0.61076075 0.52320401 0.51128532
0.80825570 0.76290310 0.43339687
0.07252998 0.68685710 0.96579603
0.71647495 0.62571286 0.44814197
No title
1
14.891397 0.233428 -0.343756
0.230678 13.613650 -0.180083
-0.336061 -0.175939 14.140225
C H O N
43 30 7 2
Direct configuration= 83
0.75215786 0.56424969 0.37495957
0.75215180 0.46115978 0.37959719
0.80354999 0.40351075 0.31811128
0.79620958 0.60730999 0.30168326
0.84793243 0.54943619 0.24092216
0.85559152 0.44805217 0.25259898
0.00236732 0.39617993 0.20196315
0.05320680 0.31075722 0.18206312
0.14701393 0.31149578 0.19161284
0.04663473 0.48310022 0.22555187
0.14018992 0.48220671 0.23360272
0.19306321 0.39637912 0.22001304
0.29576220 0.39693911 0.24191947
0.34169655 0.45786283 0.16851795
0.34050698 0.56119977 0.17506742
0.38178892 0.61711836 0.10932255
0.38652221 0.41344451 0.09255352
0.42852689 0.46853232 0.02630416
0.42668879 0.57047464 0.03544688
0.55402134 0.65837042 0.00746026
0.56189087 0.75525579 0.04074895
0.64557662 0.78668908 0.07679940
0.62868001 0.59339271 0.00840931
0.71183356 0.62565354 0.04347138
0.72027178 0.72203422 0.07856141
0.31267563 0.44218693 0.34269304
0.33543012 0.29148198 0.24414789
0.09883479 0.74785381 0.89366941
0.98047664 0.69156836 -0.02058843
0.94263929 0.76408997 0.90935939
0.85438659 0.79502165 0.88986843
0.83885421 0.86196820 0.81684120
0.71423147 0.82008126 0.72185451
0.64904445 0.75420685 0.74626070
0.62117930 0.67924284 0.68251664
0.65990512 0.67269130 0.59478083
0.65529807 0.59723145 0.51674001
0.75480068 0.71665994 0.47654068
0.72016616 0.74288194 0.57025428
0.74734302 0.81834657 0.63106140
0.91007037 0.90160613 0.76971903
0.99875308 0.86869859 0.79023248
0.01353058 0.79883287 0.85938100
0.80480730 0.32341844 0.32144815
0.71368456 0.42623511 0.43212571
0.79330893 0.68654326 0.29402745
0.88250399 0.58330021 0.18441220
0.18412753 0.24266986 0.17836360
0.01904688 0.24331377 0.16176690
0.00928531 0.55151160 0.23859687
0.17178265 0.55166053 0.25201633
0.38018972 0.69702521 0.11577208
0.30777276 0.60007683 0.23320033
0.39051808 0.33368400 0.08403338
0.46361649 0.43253258 0.96823130
0.65198893 0.86195494 0.10363346
0.50299968 0.80462734 0.03910606
0.62102690 0.51766088 0.98248768
0.77053228 0.57568064 0.04324392
0.38506417 0.44446097 0.36141712
0.28096629 0.39782707 0.39492217
0.28430007 0.51716787 0.34987507
0.40801594 0.29197133 0.26122832
0.32444595 0.25158773 0.17656778
0.30455562 0.24983049 0.29885192
0.79945316 0.76692649 0.92860696
0.62209116 0.76021564 0.81635549
0.57270426 0.62615744 0.70214499
0.79550911 0.87057820 0.60936844
0.89556485 0.95724500 0.71640130
0.05479638 0.89496870 0.75217012
0.11655057 0.64147549 0.00208674
0.78554419 0.74626700 0.10634360
0.90944277 0.38697984 0.19704816
0.47079247 0.62624889 0.97138651
0.17471055 0.75462393 0.86662759
0.94195268 0.64489241 0.03758722
0.74903981 0.88724755 0.79002418
0.61050706 0.52330566 0.51096789
0.80833598 0.76294025 0.43340049
0.07263609 0.68687046 0.96575560
0.71641977 0.62578297 0.44805966
No title
1
14.891049 0.234028 -0.339491
0.231295 13.604722 -0.180713
-0.331930 -0.176523 14.143301
C H O N
43 30 7 2
Direct configuration= 84
0.75211823 0.56429644 0.37492258
0.75243587 0.46115270 0.37982088
0.80388727 0.40346059 0.31835899
0.79594592 0.60737057 0.30146400
0.84769164 0.54943799 0.24071166
0.85561341 0.44807917 0.25258759
0.00236764 0.39620129 0.20204873
0.05325634 0.31075757 0.18213896
0.14708929 0.31146070 0.19173629
0.04661320 0.48313914 0.22574957
0.14019527 0.48217302 0.23389125
0.19319464 0.39634247 0.22024386
0.29574359 0.39690236 0.24190849
0.34161428 0.45778659 0.16852601
0.34040453 0.56119363 0.17507810
0.38166600 0.61712692 0.10926921
0.38623671 0.41334459 0.09243170
0.42819837 0.46843733 0.02613597
0.42643761 0.57042388 0.03531210
0.55384552 0.65829485 0.00747557
0.56175432 0.75530305 0.04079282
0.64534545 0.78685202 0.07684384
0.62854462 0.59327792 0.00851283
0.71168586 0.62562693 0.04353469
0.72008780 0.72214224 0.07854001
0.31282505 0.44212538 0.34266419
0.33544560 0.29138499 0.24409291
0.09903639 0.74811884 0.89365808
0.98083109 0.69160789 -0.02065217
0.94279445 0.76418262 0.90941598
0.85444140 0.79495478 0.88983340
0.83895565 0.86191807 0.81679573
0.71430183 0.81996575 0.72187447
0.64921871 0.75405152 0.74625836
0.62116317 0.67920524 0.68242629
0.65988093 0.67266529 0.59468396
0.65505695 0.59726999 0.51646329
0.75493202 0.71675317 0.47652260
0.72025075 0.74280835 0.57028109
0.74753591 0.81824278 0.63110955
0.91004071 0.90162597 0.76968025
0.99881743 0.86897947 0.79029239
0.01366485 0.79903181 0.85941538
0.80535997 0.32332241 0.32190689
0.71407717 0.42618338 0.43245081
0.79283273 0.68659178 0.29356974
0.88208058 0.58317019 0.18409328
0.18430292 0.24260127 0.17841364
0.01908141 0.24329305 0.16163693
0.00932250 0.55168829 0.23866944
0.17177472 0.55168506 0.25240025
0.38012684 0.69711584 0.11579415
0.30777569 0.60018483 0.23331823
0.39020215 0.33351823 0.08389721
0.46321015 0.43241913 0.96803426
0.65175701 0.86218972 0.10376353
0.50273417 0.80469539 0.03931774
0.62102090 0.51754308 0.98280509
0.77036718 0.57555848 0.04341636
0.38529134 0.44432265 0.36126681
0.28105631 0.39768947 0.39484636
0.28449753 0.51719618 0.35000023
0.40812303 0.29176850 0.26105713
0.32438490 0.25138386 0.17655024
0.30441663 0.24972289 0.29876536
0.79938586 0.76693157 0.92837883
0.62241111 0.75987040 0.81649951
0.57262048 0.62617750 0.70217396
0.79585975 0.87030822 0.60944170
0.89549480 0.95713390 0.71624369
0.05487081 0.89547467 0.75242785
0.11673231 0.64142608 0.00194294
0.78532801 0.74652730 0.10643870
0.90950809 0.38704700 0.19686127
0.47071949 0.62622493 0.97132921
0.17493433 0.75508094 0.86651803
0.94228473 0.64494489 0.03743203
0.74915165 0.88716248 0.79012156
0.61015227 0.52358159 0.51047722
0.80840244 0.76294445 0.43349044
0.07292018 0.68685309 0.96568585
0.71630791 0.62591358 0.44796917
No title
1
14.890418 0.235118 -0.331742
0.232416 13.588501 -0.181857
-0.324425 -0.177582 14.148888
C H O N
43 30 7 2
Direct configuration= 85
0.75204624 0.56438144 0.37485541
0.75295187 0.46113983 0.38022703
0.80449993 0.40336940 0.31880874
0.79546700 0.60748069 0.30106589
0.84725426 0.54944126 0.24032943
0.85565318 0.44812824 0.25256691
0.00236817 0.39624013 0.20220418
0.05334631 0.31075820 0.18227668
0.14722614 0.31139692 0.19196048
0.04657397 0.48320990 0.22610870
0.14020483 0.48211180 0.23441532
0.19343330 0.39627585 0.22066307
0.29570979 0.39683554 0.24188855
0.34146482 0.45764800 0.16854069
0.34021839 0.56118250 0.17509756
0.38144271 0.61714248 0.10917240
0.38571808 0.41316294 0.09221057
0.42760158 0.46826466 0.02583064
0.42598132 0.57033162 0.03506741
0.55352606 0.65815747 0.00750348
0.56150621 0.75538899 0.04087258
0.64492541 0.78714826 0.07692472
0.62829859 0.59306923 0.00870093
0.71141748 0.62557857 0.04364977
0.71975353 0.72233863 0.07850126
0.31309655 0.44201346 0.34261169
0.33547375 0.29120865 0.24399303
0.09940265 0.74860065 0.89363741
0.98147512 0.69167972 -0.02076814
0.94307631 0.76435104 0.90951868
0.85454099 0.79483320 0.88976972
0.83914000 0.86182692 0.81671308
0.71442965 0.81975574 0.72191069
0.64953533 0.75376911 0.74625400
0.62113391 0.67913689 0.68226220
0.65983703 0.67261800 0.59450801
0.65461900 0.59734005 0.51596078
0.75517065 0.71692265 0.47648969
0.72040443 0.74267456 0.57032974
0.74788637 0.81805406 0.63119689
0.90998683 0.90166204 0.76960982
0.99893429 0.86949010 0.79040119
0.01390876 0.79939347 0.85947779
0.80636385 0.32314780 0.32273984
0.71479032 0.42608933 0.43304112
0.79196779 0.68668000 0.29273861
0.88131149 0.58293383 0.18351420
0.18462155 0.24247655 0.17850443
0.01914421 0.24325538 0.16140083
0.00939002 0.55200953 0.23880126
0.17176010 0.55172969 0.25309760
0.38001256 0.69728062 0.11583427
0.30778095 0.60038118 0.23353241
0.38962825 0.33321687 0.08365003
0.46247199 0.43221290 0.96767657
0.65133556 0.86261659 0.10399992
0.50225165 0.80481914 0.03970238
0.62100984 0.51732895 0.98338162
0.77006716 0.57533641 0.04372967
0.38570415 0.44407115 0.36099364
0.28121992 0.39743929 0.39470861
0.28485623 0.51724764 0.35022745
0.40831770 0.29139972 0.26074609
0.32427403 0.25101324 0.17651840
0.30416415 0.24952727 0.29860821
0.79926370 0.76694079 0.92796450
0.62299237 0.75924273 0.81676092
0.57246824 0.62621398 0.70222661
0.79649680 0.86981735 0.60957454
0.89536762 0.95693190 0.71595743
0.05500586 0.89639453 0.75289600
0.11706257 0.64133621 0.00168162
0.78493518 0.74700056 0.10661158
0.90962686 0.38716908 0.19652177
0.47058693 0.62618136 0.97122516
0.17534091 0.75591176 0.86631893
0.94288810 0.64504026 0.03714997
0.74935481 0.88700781 0.79029838
0.60950789 0.52408321 0.50958618
0.80852314 0.76295208 0.43365378
0.07343638 0.68682148 0.96555900
0.71610471 0.62615104 0.44780488
No title
1
14.890998 0.236551 -0.327028
0.233805 13.577898 -0.183549
-0.319847 -0.179256 14.153458
C H O N
43 30 7 2
Direct configuration= 86
0.75206075 0.56443956 0.37477389
0.75329584 0.46110828 0.38051557
0.80488067 0.40332521 0.31910696
0.79518293 0.60754141 0.30078664
0.84693002 0.54945398 0.24009024
0.85567188 0.44805449 0.25246517
0.00238832 0.39625239 0.20231353
0.05349464 0.31074271 0.18234991
0.14733478 0.31129892 0.19208451
0.04658496 0.48326982 0.22632800
0.14020417 0.48213626 0.23476246
0.19339770 0.39627377 0.22090996
0.29576673 0.39676624 0.24199562
0.34136270 0.45760874 0.16851985
0.34009009 0.56122844 0.17511740
0.38123770 0.61717038 0.10916998
0.38536286 0.41298347 0.09202879
0.42718261 0.46810614 0.02565084
0.42571575 0.57032504 0.03497199
0.55345286 0.65814653 0.00756773
0.56131233 0.75544023 0.04091412
0.64466773 0.78728175 0.07694004
0.62813433 0.59298907 0.00882606
0.71128549 0.62559102 0.04374325
0.71958066 0.72248490 0.07848108
0.31329310 0.44195715 0.34261606
0.33553993 0.29100958 0.24395552
0.09948631 0.74894061 0.89358830
0.98176847 0.69176084 -0.02081659
0.94331259 0.76447787 0.90957649
0.85468279 0.79472906 0.88970402
0.83917334 0.86179164 0.81666547
0.71459355 0.81974585 0.72198979
0.64967551 0.75357262 0.74631953
0.62111116 0.67909688 0.68211172
0.65980928 0.67264438 0.59439539
0.65439322 0.59750506 0.51569746
0.75520931 0.71694323 0.47652807
0.72049895 0.74260302 0.57034003
0.74811647 0.81785883 0.63122018
0.90997321 0.90170363 0.76957662
0.99895712 0.86977912 0.79050299
0.01409732 0.79960704 0.85956162
0.80703503 0.32311077 0.32330028
0.71527221 0.42605545 0.43341842
0.79138422 0.68671070 0.29221753
0.88080056 0.58282684 0.18311238
0.18477581 0.24240730 0.17856142
0.01918960 0.24325955 0.16128067
0.00943599 0.55219901 0.23892295
0.17173340 0.55171988 0.25357075
0.37996096 0.69738514 0.11586227
0.30783877 0.60043257 0.23357313
0.38923041 0.33304678 0.08350451
0.46199916 0.43206406 0.96744131
0.65105633 0.86289022 0.10414500
0.50195633 0.80488244 0.03991053
0.62097208 0.51715535 0.98369723
0.76986297 0.57522896 0.04394462
0.38591279 0.44388748 0.36078223
0.28135268 0.39727782 0.39459980
0.28510426 0.51725427 0.35037883
0.40840261 0.29118574 0.26052641
0.32424695 0.25072896 0.17648489
0.30401962 0.24942763 0.29850888
0.79913882 0.76692798 0.92766838
0.62337969 0.75883823 0.81696865
0.57235214 0.62622500 0.70228588
0.79696861 0.86957899 0.60967558
0.89525937 0.95674039 0.71581285
0.05510504 0.89706356 0.75314799
0.11735145 0.64118855 0.00158537
0.78465349 0.74727505 0.10670144
0.90963487 0.38721293 0.19630724
0.47041159 0.62616293 0.97109955
0.17565174 0.75642557 0.86625930
0.94321624 0.64507139 0.03703816
0.74947251 0.88678771 0.79033374
0.60899299 0.52426501 0.50902579
0.80875410 0.76306583 0.43367671
0.07390196 0.68692368 0.96531145
0.71598888 0.62628721 0.44766870
No title
1
14.891655 0.238172 -0.321699
0.235376 13.565914 -0.185461
-0.314673 -0.181147 14.158623
C H O N
43 30 7 2
Direct configuration= 87
0.75207717 0.56450528 0.37468178
0.75368452 0.46107259 0.38084146
0.80531090 0.40327523 0.31944378
0.79486196 0.60761009 0.30047123
0.84656365 0.54946837 0.23982009
0.85569306 0.44797104 0.25235019
0.00241105 0.39626627 0.20243708
0.05366226 0.31072517 0.18243259
0.14745752 0.31118807 0.19222459
0.04659730 0.48333762 0.22657580
0.14020330 0.48216397 0.23515471
0.19335738 0.39627144 0.22118894
0.29583106 0.39668785 0.24211657
0.34124730 0.45756434 0.16849633
0.33994507 0.56128042 0.17513986
0.38100599 0.61720196 0.10916732
0.38496147 0.41278048 0.09182350
0.42670915 0.46792686 0.02544783
0.42541562 0.57031762 0.03486427
0.55337010 0.65813417 0.00764036
0.56109318 0.75549823 0.04096113
0.64437647 0.78743279 0.07695747
0.62794864 0.59289843 0.00896749
0.71113627 0.62560514 0.04384893
0.71938527 0.72265038 0.07845838
0.31351525 0.44189342 0.34262092
0.33561476 0.29078438 0.24391309
0.09958084 0.74932515 0.89353281
0.98210003 0.69185255 -0.02087144
0.94357961 0.76462131 0.90964174
0.85484309 0.79461123 0.88962971
0.83921105 0.86175172 0.81661166
0.71477876 0.81973465 0.72207910
0.64983394 0.75335035 0.74639348
0.62108550 0.67905161 0.68194168
0.65977795 0.67267421 0.59426815
0.65413812 0.59769171 0.51540005
0.75525298 0.71696652 0.47657142
0.72060579 0.74252208 0.57035161
0.74837656 0.81763796 0.63124639
0.90995782 0.90175067 0.76953912
0.99898284 0.87010606 0.79061806
0.01431038 0.79984862 0.85965628
0.80779342 0.32306889 0.32393326
0.71581673 0.42601713 0.43384455
0.79072484 0.68674542 0.29162897
0.88022324 0.58270581 0.18265854
0.18495016 0.24232896 0.17862574
0.01924094 0.24326426 0.16114488
0.00948788 0.55241336 0.23906047
0.17170306 0.55170885 0.25410538
0.37990263 0.69750338 0.11589395
0.30790409 0.60049070 0.23361912
0.38878083 0.33285441 0.08334021
0.46146484 0.43189572 0.96717566
0.65074065 0.86319981 0.10430907
0.50162247 0.80495412 0.04014585
0.62092930 0.51695902 0.98405383
0.76963212 0.57510746 0.04418756
0.38614869 0.44367966 0.36054325
0.28150278 0.39709514 0.39447677
0.28538454 0.51726175 0.35054979
0.40849867 0.29094364 0.26027813
0.32421640 0.25040740 0.17644701
0.30385631 0.24931492 0.29839669
0.79899779 0.76691347 0.92733384
0.62381743 0.75838066 0.81720316
0.57222089 0.62623748 0.70235290
0.79750186 0.86930931 0.60978953
0.89513710 0.95652374 0.71564950
0.05521698 0.89782037 0.75343277
0.11767800 0.64102148 0.00147650
0.78433505 0.74758559 0.10680312
0.90964399 0.38726250 0.19606484
0.47021345 0.62614208 0.97095769
0.17600301 0.75700673 0.86619188
0.94358716 0.64510656 0.03691171
0.74960555 0.88653872 0.79037361
0.60841121 0.52447065 0.50839281
0.80901512 0.76319448 0.43370254
0.07442825 0.68703919 0.96503158
0.71585799 0.62644124 0.44751490
No title
1
14.889966 0.239622 -0.315950
0.236768 13.551713 -0.188140
-0.309005 -0.183795 14.165145
C H O N
43 30 7 2
Direct configuration= 88
0.75212826 0.56453958 0.37457234
0.75412088 0.46108923 0.38116943
0.80578316 0.40325194 0.31975234
0.79450927 0.60764140 0.30016889
0.84618299 0.54936900 0.23949197
0.85564326 0.44785067 0.25220425
0.00252279 0.39626279 0.20255385
0.05383816 0.31064310 0.18248601
0.14757770 0.31106919 0.19235876
0.04661208 0.48343989 0.22682433
0.14015645 0.48224831 0.23557693
0.19320699 0.39625025 0.22146724
0.29595607 0.39658690 0.24231204
0.34109296 0.45755100 0.16844126
0.33982002 0.56130738 0.17512641
0.38074376 0.61731063 0.10916474
0.38450606 0.41260347 0.09161596
0.42619608 0.46779554 0.02522986
0.42512843 0.57030487 0.03481119
0.55325532 0.65817677 0.00769383
0.56077289 0.75562810 0.04102399
0.64412365 0.78762474 0.07697666
0.62786243 0.59290083 0.00916164
0.71095861 0.62568167 0.04397174
0.71918941 0.72283295 0.07844386
0.31375103 0.44181396 0.34266917
0.33569286 0.29045298 0.24385611
0.10013134 0.74973384 0.89332364
0.98243106 0.69201133 -0.02096540
0.94381714 0.76476722 0.90969565
0.85508102 0.79450144 0.88952156
0.83926397 0.86164836 0.81663393
0.71498153 0.81964117 0.72210977
0.64998346 0.75316028 0.74648504
0.62101278 0.67901365 0.68187206
0.65967730 0.67269862 0.59411962
0.65378642 0.59779521 0.51513006
0.75540056 0.71707066 0.47646392
0.72074195 0.74247529 0.57031358
0.74871156 0.81748216 0.63134803
0.91000848 0.90179028 0.76954958
0.99906253 0.87042111 0.79074174
0.01448613 0.80020624 0.85972789
0.80862551 0.32306449 0.32462848
0.71641459 0.42600613 0.43431866
0.78999220 0.68680878 0.29103186
0.87961162 0.58265647 0.18211963
0.18508580 0.24222483 0.17868290
0.01933447 0.24332900 0.16105315
0.00953595 0.55260704 0.23925492
0.17166871 0.55169772 0.25470854
0.37985815 0.69761362 0.11593336
0.30799600 0.60050112 0.23362155
0.38827084 0.33260681 0.08317079
0.46090603 0.43168854 0.96687450
0.65038023 0.86342288 0.10443015
0.50133771 0.80496736 0.04033364
0.62082949 0.51667453 0.98434386
0.76939407 0.57501664 0.04445644
0.38633810 0.44343592 0.36026969
0.28171334 0.39691332 0.39434569
0.28569959 0.51724829 0.35073188
0.40853871 0.29070344 0.26001306
0.32424523 0.25004833 0.17642699
0.30374526 0.24920924 0.29829397
0.79887100 0.76686009 0.92695347
0.62428341 0.75789474 0.81746257
0.57211050 0.62626894 0.70239605
0.79806835 0.86904736 0.60994173
0.89497979 0.95628165 0.71549190
0.05526783 0.89865661 0.75371373
0.11808250 0.64085885 0.00133586
0.78397720 0.74787002 0.10687529
0.90961574 0.38724977 0.19581183
0.46998880 0.62613634 0.97084232
0.17602103 0.75759536 0.86630191
0.94390714 0.64506069 0.03691532
0.74969052 0.88623986 0.79037120
0.60783852 0.52477907 0.50778120
0.80924087 0.76324393 0.43381337
0.07490781 0.68720250 0.96471198
0.71576494 0.62658781 0.44729816
No title
1
14.889744 0.239812 -0.315197
0.236950 13.549854 -0.188490
-0.308263 -0.184141 14.165998
C H O N
43 30 7 2
Direct configuration= 89
0.75213495 0.56454407 0.37455802
0.75417799 0.46109141 0.38121232
0.80584497 0.40324889 0.31979269
0.79446311 0.60764550 0.30012935
0.84613317 0.54935597 0.23944905
0.85563675 0.44783489 0.25218515
0.00253741 0.39626234 0.20256912
0.05386118 0.31063234 0.18249298
0.14759343 0.31105362 0.19237631
0.04661400 0.48345330 0.22685686
0.14015030 0.48225938 0.23563218
0.19318728 0.39624748 0.22150366
0.29597243 0.39657367 0.24233761
0.34107276 0.45754925 0.16843406
0.33980364 0.56131092 0.17512465
0.38070943 0.61732488 0.10916442
0.38444645 0.41258027 0.09158882
0.42612892 0.46777833 0.02520136
0.42509084 0.57030321 0.03480426
0.55324028 0.65818235 0.00770083
0.56073096 0.75564513 0.04103223
0.64409054 0.78764990 0.07697919
0.62785113 0.59290115 0.00918705
0.71093535 0.62569171 0.04398782
0.71916377 0.72285688 0.07844198
0.31378190 0.44180355 0.34267546
0.33570309 0.29040955 0.24384864
0.10020342 0.74978738 0.89329625
0.98247440 0.69203213 -0.02097771
0.94384824 0.76478634 0.90970270
0.85511218 0.79448704 0.88950740
0.83927090 0.86163482 0.81663683
0.71500808 0.81962892 0.72211377
0.65000303 0.75313538 0.74649700
0.62100326 0.67900867 0.68186296
0.65966413 0.67270182 0.59410019
0.65374039 0.59780877 0.51509476
0.75541988 0.71708430 0.47644985
0.72075978 0.74246915 0.57030859
0.74875541 0.81746174 0.63136131
0.91001511 0.90179547 0.76955094
0.99907295 0.87046239 0.79075793
0.01450913 0.80025311 0.85973726
0.80873442 0.32306392 0.32471940
0.71649283 0.42600469 0.43438067
0.78989631 0.68681708 0.29095377
0.87953157 0.58265000 0.18204915
0.18510356 0.24221119 0.17869037
0.01934672 0.24333748 0.16104115
0.00954223 0.55263243 0.23928036
0.17166418 0.55169628 0.25478747
0.37985233 0.69762807 0.11593852
0.30800803 0.60050248 0.23362186
0.38820408 0.33257437 0.08314864
0.46083289 0.43166139 0.96683512
0.65033303 0.86345212 0.10444602
0.50130042 0.80496910 0.04035823
0.62081641 0.51663725 0.98438181
0.76936289 0.57500475 0.04449164
0.38636292 0.44340397 0.36023388
0.28174092 0.39688949 0.39432852
0.28574082 0.51724652 0.35075569
0.40854396 0.29067195 0.25997836
0.32424901 0.25000128 0.17642437
0.30373072 0.24919539 0.29828053
0.79885442 0.76685308 0.92690370
0.62434442 0.75783106 0.81749647
0.57209605 0.62627307 0.70240170
0.79814251 0.86901303 0.60996161
0.89495920 0.95624993 0.71547128
0.05527447 0.89876620 0.75375052
0.11813547 0.64083752 0.00131743
0.78393035 0.74790730 0.10688476
0.90961205 0.38724809 0.19577873
0.46995940 0.62613558 0.97082724
0.17602337 0.75767250 0.86631632
0.94394904 0.64505467 0.03691578
0.74970165 0.88620069 0.79037088
0.60776357 0.52481948 0.50770121
0.80927042 0.76325041 0.43382787
0.07497061 0.68722389 0.96467014
0.71575277 0.62660701 0.44726981
No title
1
14.887624 0.240479 -0.311989
0.237590 13.540584 -0.190473
-0.305028 -0.186083 14.171453
C H O N
43 30 7 2
Direct configuration= 90
0.75215729 0.56454960 0.37452321
0.75447030 0.46113406 0.38136754
0.80612819 0.40324737 0.31994594
0.79425036 0.60762145 0.29995108
0.84592254 0.54922998 0.23917305
0.85554839 0.44776370 0.25208450
0.00265109 0.39623139 0.20260466
0.05392074 0.31056807 0.18250161
0.14762517 0.31099318 0.19244195
0.04658403 0.48353761 0.22699429
0.14008234 0.48232312 0.23588669
0.19315526 0.39621156 0.22169253
0.29601942 0.39650170 0.24242973
0.34093749 0.45750782 0.16840033
0.33976800 0.56129550 0.17506002
0.38058404 0.61742115 0.10911107
0.38414637 0.41253136 0.09148395
0.42582883 0.46775968 0.02504746
0.42494073 0.57029975 0.03480721
0.55306255 0.65824587 0.00768018
0.56056517 0.75576689 0.04110959
0.64394450 0.78778773 0.07698150
0.62785262 0.59289852 0.00929374
0.71084723 0.62576923 0.04408040
0.71901060 0.72299985 0.07844682
0.31389595 0.44172343 0.34270651
0.33570864 0.29018721 0.24378334
0.10031030 0.74997888 0.89327125
0.98265777 0.69206907 -0.02097003
0.94397604 0.76485396 0.90971122
0.85519583 0.79442692 0.88946356
0.83938863 0.86153133 0.81668338
0.71508985 0.81940307 0.72205185
0.65009813 0.75307021 0.74651757
0.62094332 0.67901979 0.68193538
0.65952812 0.67272446 0.59402172
0.65351733 0.59786430 0.51494004
0.75550756 0.71713833 0.47632819
0.72085759 0.74248462 0.57026039
0.74900811 0.81744236 0.63146475
0.91006876 0.90179863 0.76961976
0.99920249 0.87067165 0.79079740
0.01461254 0.80054931 0.85975763
0.80926892 0.32306412 0.32516094
0.71688608 0.42603481 0.43469240
0.78942103 0.68688257 0.29062456
0.87915435 0.58268001 0.18168371
0.18515692 0.24210083 0.17870896
0.01943004 0.24338726 0.16102479
0.00954273 0.55272839 0.23945041
0.17165962 0.55173435 0.25519879
0.37983466 0.69772074 0.11597650
0.30805438 0.60049026 0.23363356
0.38786076 0.33237128 0.08304470
0.46049168 0.43151945 0.96664493
0.65009261 0.86349528 0.10446761
0.50114683 0.80496217 0.04040588
0.62071187 0.51647237 0.98449507
0.76922984 0.57499455 0.04466427
0.38646364 0.44323816 0.36007594
0.28191592 0.39678039 0.39428612
0.28594309 0.51723650 0.35086719
0.40853394 0.29052775 0.25983555
0.32432319 0.24977007 0.17643022
0.30373570 0.24911076 0.29825945
0.79887087 0.76678202 0.92664139
0.62462476 0.75754484 0.81764445
0.57205304 0.62629688 0.70238791
0.79846563 0.86886246 0.61009467
0.89484595 0.95611603 0.71538619
0.05521751 0.89927622 0.75391072
0.11835913 0.64086291 0.00111964
0.78373295 0.74804304 0.10690095
0.90963539 0.38716015 0.19562705
0.46987112 0.62614476 0.97084844
0.17632230 0.75807602 0.86631187
0.94417134 0.64505685 0.03692033
0.74971181 0.88605127 0.79038718
0.60743068 0.52504809 0.50739322
0.80943463 0.76325095 0.43390211
0.07514223 0.68723232 0.96460098
0.71572898 0.62668155 0.44710550
No title
1
14.885723 0.241077 -0.309113
0.238164 13.532272 -0.192250
-0.302128 -0.187824 14.176343
C H O N
43 30 7 2
Direct configuration= 91
0.75217732 0.56455455 0.37449201
0.75473238 0.46117233 0.38150660
0.80638212 0.40324601 0.32008323
0.79405964 0.60759986 0.29979136
0.84573374 0.54911692 0.23892571
0.85546918 0.44769982 0.25199431
0.00275301 0.39620363 0.20263648
0.05397414 0.31051040 0.18250931
0.14765362 0.31093896 0.19250076
0.04655712 0.48361326 0.22711749
0.14002134 0.48238034 0.23611480
0.19312651 0.39617936 0.22186180
0.29606154 0.39643713 0.24251226
0.34081620 0.45747065 0.16837012
0.33973606 0.56128166 0.17500210
0.38047161 0.61750752 0.10906329
0.38387732 0.41248747 0.09139002
0.42555978 0.46774294 0.02490958
0.42480612 0.57029665 0.03480988
0.55290317 0.65830287 0.00766171
0.56041650 0.75587615 0.04117896
0.64381354 0.78791140 0.07698363
0.62785394 0.59289617 0.00938935
0.71076819 0.62583880 0.04416340
0.71887325 0.72312812 0.07845122
0.31399821 0.44165155 0.34273430
0.33571365 0.28998772 0.24372479
0.10040613 0.75015068 0.89324885
0.98282218 0.69210221 -0.02096318
0.94409063 0.76491463 0.90971884
0.85527085 0.79437297 0.88942425
0.83949418 0.86143848 0.81672506
0.71516319 0.81920043 0.72199632
0.65018341 0.75301175 0.74653598
0.62088955 0.67902977 0.68200030
0.65940618 0.67274477 0.59395142
0.65331735 0.59791411 0.51480143
0.75558620 0.71718678 0.47621915
0.72094530 0.74249848 0.57021718
0.74923468 0.81742498 0.63155740
0.91011685 0.90180147 0.76968143
0.99931862 0.87085939 0.79083278
0.01470526 0.80081506 0.85977591
0.80974811 0.32306434 0.32555654
0.71723864 0.42606185 0.43497170
0.78899493 0.68694130 0.29032961
0.87881617 0.58270691 0.18135627
0.18520477 0.24200182 0.17872559
0.01950475 0.24343191 0.16101012
0.00954315 0.55281452 0.23960282
0.17165545 0.55176856 0.25556743
0.37981881 0.69780389 0.11601054
0.30809595 0.60047929 0.23364403
0.38755294 0.33218908 0.08295159
0.46018577 0.43139209 0.96647452
0.64987701 0.86353402 0.10448702
0.50100909 0.80495597 0.04044861
0.62061812 0.51632447 0.98459658
0.76911051 0.57498542 0.04481901
0.38655400 0.44308937 0.35993436
0.28207286 0.39668249 0.39424807
0.28612443 0.51722751 0.35096707
0.40852499 0.29039835 0.25970754
0.32438971 0.24956263 0.17643542
0.30374017 0.24903483 0.29824054
0.79888568 0.76671823 0.92640630
0.62487612 0.75728805 0.81777697
0.57201449 0.62631824 0.70237556
0.79875535 0.86872737 0.61021383
0.89474443 0.95599590 0.71530993
0.05516638 0.89973381 0.75405437
0.11855973 0.64088566 0.00094234
0.78355593 0.74816483 0.10691551
0.90965635 0.38708123 0.19549110
0.46979196 0.62615301 0.97086746
0.17659033 0.75843804 0.86630787
0.94437068 0.64505880 0.03692437
0.74972092 0.88591720 0.79040177
0.60713224 0.52525318 0.50711729
0.80958185 0.76325143 0.43396862
0.07529613 0.68723987 0.96453897
0.71570768 0.62674841 0.44695826
No title
1
14.882310 0.242261 -0.305195
0.239236 13.523178 -0.194472
-0.298152 -0.190013 14.183831
C H O N
43 30 7 2
Direct configuration= 92
0.75219447 0.56460400 0.37444978
0.75503970 0.46115058 0.38168381
0.80665866 0.40320779 0.32026294
0.79385794 0.60756135 0.29952699
0.84547237 0.54909637 0.23856644
0.85543355 0.44756464 0.25179371
0.00277506 0.39618063 0.20263321
0.05403800 0.31050549 0.18252162
0.14768146 0.31085503 0.19255775
0.04649779 0.48367903 0.22725316
0.13999674 0.48241881 0.23639526
0.19317858 0.39615508 0.22210249
0.29601519 0.39633521 0.24252443
0.34063699 0.45736868 0.16835111
0.33970162 0.56130747 0.17492415
0.38037396 0.61757233 0.10899123
0.38356294 0.41239102 0.09122840
0.42523703 0.46768745 0.02474029
0.42467619 0.57033660 0.03478074
0.55277652 0.65836849 0.00764876
0.56031658 0.75592956 0.04125465
0.64360537 0.78801535 0.07695040
0.62770867 0.59286184 0.00942153
0.71070210 0.62590590 0.04427230
0.71867867 0.72333016 0.07848019
0.31410572 0.44154220 0.34271278
0.33568371 0.28982181 0.24365811
0.10063293 0.75035670 0.89324985
0.98299711 0.69208838 -0.02092874
0.94421256 0.76497684 0.90970366
0.85536113 0.79427968 0.88943036
0.83959928 0.86135562 0.81672164
0.71532450 0.81897387 0.72196700
0.65021896 0.75289749 0.74658314
0.62087730 0.67906065 0.68200562
0.65925633 0.67289152 0.59391991
0.65319804 0.59817283 0.51463004
0.75554948 0.71713123 0.47620131
0.72100548 0.74253213 0.57020645
0.74946067 0.81729198 0.63157635
0.91019784 0.90183652 0.76974539
0.99941569 0.87115268 0.79085193
0.01487554 0.80106505 0.85988683
0.81036861 0.32304203 0.32605438
0.71773811 0.42615067 0.43530679
0.78845215 0.68697634 0.29000824
0.87838296 0.58275397 0.18094548
0.18523334 0.24184160 0.17873136
0.01957055 0.24338500 0.16099640
0.00947219 0.55293442 0.23984748
0.17165917 0.55185933 0.25606331
0.37980312 0.69797729 0.11607042
0.30813607 0.60045295 0.23366759
0.38713802 0.33200125 0.08283252
0.45979011 0.43124653 0.96628335
0.64960714 0.86361421 0.10449968
0.50078607 0.80502061 0.04044121
0.62048635 0.51624659 0.98469162
0.76899674 0.57501931 0.04502081
0.38669574 0.44289187 0.35979088
0.28228838 0.39653272 0.39428624
0.28634816 0.51722593 0.35109081
0.40850576 0.29022937 0.25958240
0.32450571 0.24927090 0.17642006
0.30381352 0.24888183 0.29827512
0.79896935 0.76656471 0.92613373
0.62519755 0.75700579 0.81788034
0.57194704 0.62630538 0.70234630
0.79912323 0.86861914 0.61040595
0.89462070 0.95583970 0.71527216
0.05510486 0.90031155 0.75416817
0.11881190 0.64101092 0.00063773
0.78339026 0.74829629 0.10691736
0.90974896 0.38692372 0.19535737
0.46972014 0.62616363 0.97096586
0.17684213 0.75887294 0.86636038
0.94462926 0.64509007 0.03694398
0.74976423 0.88575263 0.79045665
0.60668908 0.52538408 0.50681915
0.80990850 0.76331221 0.43394228
0.07536033 0.68726476 0.96447706
0.71565242 0.62683379 0.44682950
No title
1
14.880210 0.242990 -0.302784
0.239897 13.517582 -0.195839
-0.295705 -0.191360 14.188440
C H O N
43 30 7 2
Direct configuration= 93
0.75220503 0.56463444 0.37442380
0.75522883 0.46113719 0.38179275
0.80682885 0.40318425 0.32037342
0.79373384 0.60753762 0.29936442
0.84531156 0.54908370 0.23834552
0.85541165 0.44748139 0.25167032
0.00278863 0.39616646 0.20263120
0.05407730 0.31050246 0.18252919
0.14769859 0.31080335 0.19259279
0.04646124 0.48371956 0.22733662
0.13998154 0.48244254 0.23656776
0.19321059 0.39614015 0.22225052
0.29598667 0.39627245 0.24253191
0.34052669 0.45730590 0.16833944
0.33968044 0.56132335 0.17487621
0.38031386 0.61761224 0.10894693
0.38336946 0.41233163 0.09112903
0.42503840 0.46765329 0.02463621
0.42459622 0.57036120 0.03476284
0.55269856 0.65840891 0.00764083
0.56025506 0.75596246 0.04130122
0.64347724 0.78807936 0.07693001
0.62761925 0.59284070 0.00944134
0.71066141 0.62594723 0.04433930
0.71855888 0.72345459 0.07849806
0.31417190 0.44147486 0.34269951
0.33566530 0.28971964 0.24361709
0.10077252 0.75048355 0.89325045
0.98310477 0.69207986 -0.02090760
0.94428760 0.76501514 0.90969431
0.85541671 0.79422223 0.88943409
0.83966398 0.86130460 0.81671951
0.71542380 0.81883435 0.72194891
0.65024084 0.75282714 0.74661212
0.62086975 0.67907966 0.68200890
0.65916409 0.67298190 0.59390056
0.65312462 0.59833214 0.51452467
0.75552688 0.71709702 0.47619033
0.72104253 0.74255285 0.57019985
0.74959978 0.81721007 0.63158795
0.91024767 0.90185811 0.76978472
0.99947542 0.87133328 0.79086371
0.01498032 0.80121899 0.85995505
0.81075046 0.32302831 0.32636047
0.71804548 0.42620537 0.43551282
0.78811811 0.68699791 0.28981068
0.87811638 0.58278293 0.18069290
0.18525094 0.24174293 0.17873489
0.01961106 0.24335611 0.16098795
0.00942847 0.55300829 0.23999798
0.17166137 0.55191527 0.25636831
0.37979345 0.69808408 0.11610727
0.30816076 0.60043674 0.23368207
0.38688267 0.33188559 0.08275933
0.45954661 0.43115690 0.96616581
0.64944102 0.86366360 0.10450753
0.50064880 0.80506043 0.04043670
0.62040522 0.51619866 0.98475008
0.76892668 0.57504020 0.04514495
0.38678302 0.44277023 0.35970258
0.28242104 0.39644048 0.39430967
0.28648585 0.51722495 0.35116689
0.40849396 0.29012530 0.25950542
0.32457713 0.24909124 0.17641057
0.30385867 0.24878762 0.29829636
0.79902091 0.76647014 0.92596605
0.62539540 0.75683196 0.81794384
0.57190553 0.62629747 0.70232832
0.79934963 0.86855248 0.61052403
0.89454456 0.95574352 0.71524893
0.05506695 0.90066734 0.75423823
0.11896717 0.64108801 0.00045036
0.78328828 0.74837726 0.10691854
0.90980600 0.38682671 0.19527509
0.46967592 0.62617018 0.97102640
0.17699709 0.75914074 0.86639267
0.94478842 0.64510931 0.03695600
0.74979088 0.88565128 0.79049038
0.60641635 0.52546469 0.50663587
0.81010955 0.76334961 0.43392603
0.07539985 0.68728008 0.96443898
0.71561842 0.62688636 0.44675033
No title
1
14.877452 0.243297 -0.299261
0.240173 13.510634 -0.197061
-0.292158 -0.192529 14.194249
C H O N
43 30 7 2
Direct configuration= 94
0.75222591 0.56465439 0.37435637
0.75544077 0.46113180 0.38192772
0.80703918 0.40313342 0.32047758
0.79357403 0.60753644 0.29916526
0.84510872 0.54907115 0.23806608
0.85540806 0.44739651 0.25150012
0.00276635 0.39618417 0.20261593
0.05412021 0.31049861 0.18253013
0.14774832 0.31075293 0.19263974
0.04641694 0.48374978 0.22743369
0.14000111 0.48246468 0.23678048
0.19323440 0.39611156 0.22241793
0.29592845 0.39619326 0.24251812
0.34040759 0.45724404 0.16830033
0.33963716 0.56133281 0.17484354
0.38025580 0.61767144 0.10891771
0.38314133 0.41223246 0.09099543
0.42480335 0.46759458 0.02453067
0.42451641 0.57037047 0.03471099
0.55266147 0.65842483 0.00764917
0.56014315 0.75599105 0.04132405
0.64331610 0.78816356 0.07690988
0.62749867 0.59283491 0.00944909
0.71055480 0.62599002 0.04439901
0.71844275 0.72356187 0.07852189
0.31424947 0.44138785 0.34266057
0.33563661 0.28962171 0.24357855
0.10095823 0.75065024 0.89327575
0.98322139 0.69209905 -0.02093539
0.94438953 0.76504347 0.90969030
0.85551194 0.79417779 0.88941272
0.83971322 0.86124674 0.81671482
0.71556915 0.81870830 0.72197588
0.65027280 0.75273525 0.74663793
0.62084983 0.67907114 0.68196961
0.65908565 0.67314039 0.59385892
0.65294602 0.59840729 0.51439338
0.75562018 0.71716536 0.47611600
0.72104974 0.74255832 0.57018727
0.74975309 0.81709164 0.63158076
0.91028688 0.90191142 0.76980602
0.99952725 0.87152554 0.79093330
0.01512586 0.80138692 0.86004161
0.81122013 0.32298815 0.32672873
0.71843689 0.42628399 0.43576900
0.78771794 0.68699116 0.28959313
0.87779418 0.58282095 0.18038160
0.18525590 0.24161523 0.17873391
0.01964735 0.24327534 0.16097883
0.00934075 0.55309747 0.24020183
0.17165478 0.55198284 0.25674432
0.37978351 0.69821995 0.11615643
0.30818619 0.60041913 0.23370151
0.38656333 0.33177632 0.08266138
0.45924685 0.43105851 0.96603273
0.64924000 0.86376453 0.10451767
0.50048310 0.80512969 0.04040814
0.62030126 0.51618036 0.98480277
0.76887596 0.57507472 0.04529842
0.38690267 0.44261833 0.35960793
0.28258641 0.39631944 0.39437231
0.28664819 0.51722246 0.35125568
0.40848025 0.29000148 0.25943050
0.32466897 0.24886249 0.17639339
0.30394261 0.24864740 0.29833835
0.79908018 0.76630062 0.92580612
0.62562575 0.75664565 0.81800312
0.57185434 0.62627611 0.70229448
0.79961353 0.86848597 0.61068733
0.89446021 0.95563310 0.71524939
0.05505267 0.90110316 0.75427763
0.11916350 0.64120088 0.00021225
0.78318904 0.74847619 0.10691511
0.90986654 0.38669275 0.19519896
0.46962506 0.62618933 0.97110212
0.17712747 0.75943582 0.86647887
0.94494545 0.64511048 0.03702350
0.74985029 0.88551525 0.79053094
0.60618666 0.52569651 0.50645491
0.81025078 0.76328014 0.43397909
0.07546447 0.68734048 0.96434702
0.71555528 0.62697049 0.44670882
No title
1
14.872172 0.243882 -0.292520
0.240701 13.497338 -0.199399
-0.285370 -0.194765 14.205366
C H O N
43 30 7 2
Direct configuration= 95
0.75226590 0.56469258 0.37422738
0.75584634 0.46112151 0.38218578
0.80744170 0.40303611 0.32067671
0.79326826 0.60753414 0.29878437
0.84472063 0.54904710 0.23753165
0.85540128 0.44723399 0.25117454
0.00272372 0.39621807 0.20258672
0.05420235 0.31049126 0.18253191
0.14784347 0.31065639 0.19272952
0.04633211 0.48380766 0.22761939
0.14003846 0.48250712 0.23718735
0.19327988 0.39605684 0.22273813
0.29581704 0.39604164 0.24249175
0.34017966 0.45712560 0.16822556
0.33955435 0.56135090 0.17478107
0.38014468 0.61778477 0.10886185
0.38270476 0.41204259 0.09073997
0.42435353 0.46748217 0.02432888
0.42436368 0.57038822 0.03461186
0.55259049 0.65845533 0.00766514
0.55992895 0.75604579 0.04136778
0.64300768 0.78832478 0.07687148
0.62726788 0.59282383 0.00946397
0.71035073 0.62607196 0.04451327
0.71822047 0.72376728 0.07856754
0.31439796 0.44122125 0.34258604
0.33558173 0.28943422 0.24350484
0.10131365 0.75096937 0.89332409
0.98344462 0.69213578 -0.02098861
0.94458461 0.76509770 0.90968259
0.85569423 0.79409270 0.88937178
0.83980748 0.86113596 0.81670580
0.71584732 0.81846695 0.72202737
0.65033398 0.75255933 0.74668727
0.62081173 0.67905483 0.68189445
0.65893553 0.67344385 0.59377932
0.65260426 0.59855116 0.51414235
0.75579879 0.71729620 0.47597377
0.72106355 0.74256879 0.57016321
0.75004654 0.81686489 0.63156691
0.91036190 0.90201348 0.76984675
0.99962641 0.87189365 0.79106641
0.01540436 0.80170845 0.86020715
0.81211889 0.32291129 0.32743289
0.71918590 0.42643453 0.43625885
0.78695214 0.68697823 0.28917719
0.87717765 0.58289372 0.17978631
0.18526540 0.24137074 0.17873201
0.01971683 0.24312070 0.16096135
0.00917276 0.55326824 0.24059179
0.17164199 0.55211228 0.25746356
0.37976445 0.69848009 0.11625049
0.30823487 0.60038541 0.23373869
0.38595219 0.33156713 0.08247416
0.45867320 0.43087013 0.96577831
0.64885523 0.86395777 0.10453717
0.50016597 0.80526230 0.04035361
0.62010225 0.51614534 0.98490359
0.76877881 0.57514084 0.04559200
0.38713171 0.44232750 0.35942681
0.28290288 0.39608769 0.39449202
0.28695886 0.51721771 0.35142544
0.40845406 0.28976442 0.25928718
0.32484478 0.24842451 0.17636044
0.30410324 0.24837896 0.29841859
0.79919370 0.76597603 0.92550014
0.62606660 0.75628894 0.81811637
0.57175637 0.62623523 0.70222976
0.80011853 0.86835865 0.61099954
0.89429876 0.95542169 0.71525030
0.05502530 0.90193758 0.75435309
0.11953937 0.64141693 -0.00024328
0.78299911 0.74866559 0.10690862
0.90998246 0.38643626 0.19505329
0.46952768 0.62622601 0.97124698
0.17737696 0.76000078 0.86664375
0.94524596 0.64511272 0.03715252
0.74996399 0.88525480 0.79060847
0.60574710 0.52614033 0.50610890
0.81052107 0.76314713 0.43408052
0.07558820 0.68745612 0.96417111
0.71543446 0.62713158 0.44662946
No title
1
14.870913 0.243871 -0.287775
0.240710 13.490368 -0.199965
-0.280691 -0.195258 14.211207
C H O N
43 30 7 2
Direct configuration= 96
0.75226751 0.56469878 0.37414466
0.75608660 0.46116762 0.38226201
0.80768832 0.40299136 0.32071683
0.79306111 0.60754005 0.29860696
0.84450859 0.54897278 0.23725098
0.85536789 0.44721625 0.25104422
0.00272831 0.39625099 0.20254997
0.05423844 0.31043532 0.18250713
0.14790624 0.31061921 0.19278536
0.04631936 0.48387317 0.22774200
0.14005214 0.48253318 0.23741155
0.19323209 0.39600872 0.22286719
0.29579001 0.39597350 0.24249931
0.34010104 0.45710787 0.16812108
0.33948332 0.56132583 0.17478294
0.38010138 0.61786374 0.10888430
0.38245703 0.41195282 0.09062901
0.42412652 0.46741061 0.02423557
0.42426124 0.57034108 0.03456646
0.55254490 0.65843590 0.00769175
0.55971561 0.75612768 0.04133576
0.64286325 0.78845213 0.07688767
0.62724493 0.59284696 0.00948893
0.71016545 0.62608362 0.04453494
0.71813779 0.72378242 0.07858211
0.31449288 0.44112257 0.34255627
0.33557109 0.28930352 0.24347531
0.10132574 0.75119073 0.89341361
0.98348515 0.69215321 -0.02102525
0.94472819 0.76511112 0.90969156
0.85581154 0.79408275 0.88929574
0.83985618 0.86108825 0.81671759
0.71598689 0.81836360 0.72207913
0.65044561 0.75247590 0.74664939
0.62075545 0.67901503 0.68182753
0.65884799 0.67353035 0.59364982
0.65244022 0.59873165 0.51406977
0.75585939 0.71736467 0.47600919
0.72109020 0.74260209 0.57006691
0.75020837 0.81680901 0.63164901
0.91034941 0.90204735 0.76988276
0.99970855 0.87205213 0.79122036
0.01553940 0.80189566 0.86025115
0.81261545 0.32282196 0.32780193
0.71959530 0.42649857 0.43657343
0.78655173 0.68696014 0.28896482
0.87685375 0.58293491 0.17944056
0.18525359 0.24124343 0.17872882
0.01975465 0.24301264 0.16096016
0.00905731 0.55331948 0.24082054
0.17160977 0.55214924 0.25785024
0.37975804 0.69858801 0.11630089
0.30824886 0.60038467 0.23377007
0.38561339 0.33146020 0.08234138
0.45836017 0.43077974 0.96564347
0.64864397 0.86413516 0.10454876
0.50002648 0.80533271 0.04029702
0.61998472 0.51614226 0.98492199
0.76874661 0.57519688 0.04574664
0.38725720 0.44216370 0.35932520
0.28308216 0.39596925 0.39456670
0.28711984 0.51719652 0.35150619
0.40844276 0.28965531 0.25923176
0.32493372 0.24819290 0.17636845
0.30422141 0.24820840 0.29845757
0.79924662 0.76572175 0.92540725
0.62626789 0.75612864 0.81817742
0.57170721 0.62619696 0.70216391
0.80035357 0.86827244 0.61118616
0.89422624 0.95536679 0.71525091
0.05503915 0.90236479 0.75436067
0.11974868 0.64153625 -0.00047455
0.78291989 0.74877521 0.10689921
0.90996572 0.38630204 0.19499783
0.46948666 0.62627263 0.97126120
0.17759215 0.76026374 0.86675908
0.94539384 0.64513904 0.03721742
0.75005775 0.88510650 0.79064136
0.60551633 0.52635436 0.50594934
0.81067650 0.76304603 0.43411004
0.07578156 0.68756263 0.96400377
0.71538437 0.62721497 0.44657091
No title
1
14.868823 0.243853 -0.279902
0.240725 13.478804 -0.200905
-0.272927 -0.196076 14.220898
C H O N
43 30 7 2
Direct configuration= 97
0.75227022 0.56470907 0.37400748
0.75648518 0.46124416 0.38238829
0.80809748 0.40291707 0.32078324
0.79271752 0.60754984 0.29831288
0.84415694 0.54884940 0.23678565
0.85531257 0.44718681 0.25082813
0.00273595 0.39630563 0.20248901
0.05429833 0.31034247 0.18246601
0.14801034 0.31055750 0.19287793
0.04629815 0.48398193 0.22794533
0.14007473 0.48257645 0.23778333
0.19315272 0.39592886 0.22308125
0.29574516 0.39586041 0.24251186
0.33997065 0.45707843 0.16794785
0.33936548 0.56128420 0.17478609
0.38002951 0.61799482 0.10892157
0.38204607 0.41180382 0.09044513
0.42374991 0.46729183 0.02408095
0.42409131 0.57026285 0.03449121
0.55246926 0.65840365 0.00773591
0.55936166 0.75626361 0.04128279
0.64262360 0.78866353 0.07691459
0.62720683 0.59288536 0.00953033
0.70985802 0.62610298 0.04457096
0.71800062 0.72380757 0.07860633
0.31465037 0.44095877 0.34250684
0.33555345 0.28908656 0.24342635
0.10134574 0.75155817 0.89356208
0.98355240 0.69218213 -0.02108602
0.94496642 0.76513339 0.90970635
0.85600622 0.79406624 0.88916959
0.83993697 0.86100906 0.81673712
0.71621843 0.81819206 0.72216488
0.65063084 0.75233740 0.74658650
0.62066211 0.67894896 0.68171659
0.65870281 0.67367394 0.59343511
0.65216808 0.59903124 0.51394952
0.75595990 0.71747833 0.47606790
0.72113447 0.74265736 0.56990721
0.75047684 0.81671628 0.63178508
0.91032867 0.90210357 0.76994248
0.99984473 0.87231519 0.79147563
0.01576342 0.80220641 0.86032405
0.81343911 0.32267371 0.32841362
0.72027438 0.42660489 0.43709489
0.78588750 0.68693012 0.28861286
0.87631652 0.58300327 0.17886737
0.18523401 0.24103212 0.17872352
0.01981742 0.24283327 0.16095816
0.00886564 0.55340455 0.24119995
0.17155611 0.55221063 0.25849149
0.37974738 0.69876716 0.11638447
0.30827205 0.60038342 0.23382210
0.38505134 0.33128270 0.08212136
0.45784088 0.43062969 0.96542003
0.64829344 0.86442961 0.10456811
0.49979507 0.80544956 0.04020327
0.61978973 0.51613715 0.98495257
0.76869310 0.57528990 0.04600310
0.38746548 0.44189181 0.35915661
0.28337958 0.39577264 0.39469044
0.28738690 0.51716136 0.35164000
0.40842405 0.28947419 0.25913986
0.32508128 0.24780847 0.17638168
0.30441744 0.24792528 0.29852214
0.79933447 0.76529967 0.92525315
0.62660185 0.75586257 0.81827854
0.57162568 0.62613345 0.70205474
0.80074345 0.86812935 0.61149549
0.89410591 0.95527565 0.71525196
0.05506213 0.90307390 0.75437326
0.12009608 0.64173430 -0.00085817
0.78278844 0.74895717 0.10688366
0.90993798 0.38607926 0.19490586
0.46941860 0.62635002 0.97128480
0.17794911 0.76070024 0.86695023
0.94563915 0.64518272 0.03732496
0.75021330 0.88486034 0.79069582
0.60513354 0.52670961 0.50568488
0.81093437 0.76287822 0.43415890
0.07610247 0.68773942 0.96372618
0.71530129 0.62735340 0.44647383
No title
1
14.869357 0.243858 -0.281914
0.240721 13.481759 -0.200665
-0.274911 -0.195867 14.218421
C H O N
43 30 7 2
Direct configuration= 98
0.75226951 0.56470644 0.37404251
0.75638333 0.46122459 0.38235610
0.80799292 0.40293607 0.32076634
0.79280530 0.60754734 0.29838793
0.84424675 0.54888096 0.23690444
0.85532668 0.44719434 0.25088331
0.00273399 0.39629165 0.20250458
0.05428301 0.31036622 0.18247652
0.14798375 0.31057328 0.19285431
0.04630360 0.48395411 0.22789340
0.14006901 0.48256538 0.23768839
0.19317304 0.39594928 0.22302658
0.29575663 0.39588934 0.24250865
0.34000395 0.45708597 0.16799207
0.33939560 0.56129485 0.17478527
0.38004789 0.61796129 0.10891204
0.38215108 0.41184193 0.09049203
0.42384615 0.46732221 0.02412039
0.42413473 0.57028286 0.03451041
0.55248860 0.65841190 0.00772462
0.55945212 0.75622884 0.04129626
0.64268486 0.78860946 0.07690768
0.62721658 0.59287554 0.00951975
0.70993660 0.62609802 0.04456172
0.71803568 0.72380114 0.07860013
0.31461011 0.44100067 0.34251949
0.33555795 0.28914206 0.24343885
0.10134065 0.75146419 0.89352416
0.98353520 0.69217473 -0.02107049
0.94490553 0.76512770 0.90970261
0.85595644 0.79407047 0.88920183
0.83991632 0.86102931 0.81673215
0.71615927 0.81823594 0.72214301
0.65058349 0.75237283 0.74660259
0.62068595 0.67896586 0.68174491
0.65873989 0.67363722 0.59348992
0.65223762 0.59895461 0.51398019
0.75593422 0.71744926 0.47605292
0.72112313 0.74264323 0.56994800
0.75040824 0.81674000 0.63175038
0.91033398 0.90208919 0.76992722
0.99980996 0.87224790 0.79141045
0.01570617 0.80212693 0.86030546
0.81322868 0.32271162 0.32825753
0.72010089 0.42657769 0.43696181
0.78605722 0.68693780 0.28870265
0.87645375 0.58298579 0.17901367
0.18523901 0.24108617 0.17872488
0.01980138 0.24287915 0.16095868
0.00891468 0.55338279 0.24110303
0.17156991 0.55219492 0.25832772
0.37975012 0.69872134 0.11636312
0.30826613 0.60038374 0.23380882
0.38519496 0.33132810 0.08217747
0.45797357 0.43066807 0.96547702
0.64838304 0.86435430 0.10456311
0.49985420 0.80541968 0.04022718
0.61983957 0.51613846 0.98494473
0.76870682 0.57526611 0.04593760
0.38741222 0.44196136 0.35919970
0.28330358 0.39582293 0.39465889
0.28731866 0.51717035 0.35160586
0.40842882 0.28952051 0.25916333
0.32504357 0.24790680 0.17637833
0.30436734 0.24799770 0.29850568
0.79931200 0.76540763 0.92529252
0.62651651 0.75593062 0.81825277
0.57164650 0.62614969 0.70208261
0.80064384 0.86816594 0.61141656
0.89413666 0.95529896 0.71525168
0.05505626 0.90289253 0.75437004
0.12000724 0.64168365 -0.00076016
0.78282203 0.74891063 0.10688761
0.90994506 0.38613624 0.19492935
0.46943600 0.62633023 0.97127876
0.17785791 0.76058860 0.86690146
0.94557647 0.64517154 0.03729753
0.75017355 0.88492330 0.79068194
0.60523134 0.52661875 0.50575236
0.81086847 0.76292114 0.43414646
0.07602041 0.68769421 0.96379711
0.71532251 0.62731800 0.44649861
No title
1
14.868578 0.243990 -0.274983
0.240848 13.474484 -0.201019
-0.268152 -0.196169 14.224421
C H O N
43 30 7 2
Direct configuration= 99
0.75221830 0.56477659 0.37398373
0.75666315 0.46120888 0.38240488
0.80824990 0.40288919 0.32082778
0.79256310 0.60749066 0.29816480
0.84397245 0.54886933 0.23662133
0.85526979 0.44717631 0.25078202
0.00278581 0.39627572 0.20243558
0.05432428 0.31028996 0.18243208
0.14796863 0.31047569 0.19288827
0.04631515 0.48406050 0.22805846
0.14000991 0.48259245 0.23793676
0.19311650 0.39592408 0.22314200
0.29577849 0.39582633 0.24254204
0.33991409 0.45705752 0.16789815
0.33932504 0.56132450 0.17478005
0.38002137 0.61796881 0.10897598
0.38188274 0.41176658 0.09036871
0.42361342 0.46722358 0.02401555
0.42397388 0.57025150 0.03451217
0.55236385 0.65844737 0.00777163
0.55930374 0.75634152 0.04124733
0.64252533 0.78871115 0.07692978
0.62718234 0.59284978 0.00951824
0.70988050 0.62604202 0.04459683
0.71788807 0.72385707 0.07862071
0.31473962 0.44088703 0.34251934
0.33559036 0.28895213 0.24341156
0.10156689 0.75179805 0.89355077
0.98361089 0.69218284 -0.02111171
0.94500541 0.76517572 0.90968970
0.85606208 0.79395979 0.88919389
0.83998079 0.86101329 0.81674023
0.71631210 0.81814405 0.72217147
0.65072479 0.75221840 0.74654669
0.62065253 0.67896202 0.68161363
0.65861422 0.67367459 0.59333104
0.65210882 0.59923180 0.51388530
0.75593167 0.71742043 0.47615017
0.72118810 0.74282389 0.56990406
0.75055857 0.81668262 0.63187925
0.91036829 0.90207880 0.77001245
0.99991621 0.87252857 0.79151674
0.01581037 0.80230277 0.86037613
0.81380073 0.32260737 0.32863779
0.72059843 0.42664844 0.43733233
0.78562643 0.68695012 0.28846234
0.87608934 0.58300352 0.17861938
0.18521899 0.24096743 0.17872735
0.01985159 0.24274221 0.16096632
0.00877312 0.55337992 0.24137842
0.17151097 0.55218944 0.25875857
0.37975048 0.69880843 0.11641906
0.30825742 0.60040194 0.23387211
0.38480315 0.33119449 0.08198643
0.45762441 0.43057356 0.96531641
0.64814831 0.86463698 0.10457542
0.49967188 0.80554034 0.04012790
0.61971166 0.51615305 0.98492567
0.76862413 0.57537843 0.04608951
0.38754193 0.44177200 0.35906451
0.28351459 0.39570978 0.39472553
0.28749469 0.51710906 0.35168035
0.40842517 0.28942938 0.25912120
0.32512673 0.24766322 0.17643516
0.30452089 0.24777652 0.29853552
0.79943872 0.76507497 0.92522537
0.62670948 0.75578249 0.81825898
0.57157686 0.62606988 0.70197576
0.80087721 0.86805836 0.61163603
0.89408510 0.95532101 0.71524815
0.05505181 0.90328895 0.75440402
0.12027603 0.64181345 -0.00099664
0.78273345 0.74901703 0.10685803
0.90988098 0.38603304 0.19487825
0.46939796 0.62635962 0.97121339
0.17791665 0.76083252 0.86714204
0.94573466 0.64524718 0.03732960
0.75028190 0.88477464 0.79072662
0.60495030 0.52680750 0.50561185
0.81111330 0.76283307 0.43412662
0.07619867 0.68783070 0.96360795
0.71528669 0.62740816 0.44641827
No title
1
14.868120 0.244068 -0.270907
0.240922 13.470205 -0.201228
-0.264176 -0.196347 14.227949
C H O N
43 30 7 2
Direct configuration= 100
0.75218819 0.56481788 0.37394919
0.75682773 0.46119963 0.38243348
0.80840105 0.40286159 0.32086383
0.79242070 0.60745731 0.29803367
0.84381118 0.54886248 0.23645496
0.85523636 0.44716570 0.25072248
0.00281631 0.39626635 0.20239499
0.05434856 0.31024508 0.18240594
0.14795972 0.31041826 0.19290823
0.04632190 0.48412312 0.22815550
0.13997507 0.48260838 0.23808280
0.19308322 0.39590925 0.22320988
0.29579134 0.39578925 0.24256166
0.33986125 0.45704077 0.16784295
0.33928354 0.56134195 0.17477700
0.38000575 0.61797324 0.10901358
0.38172494 0.41172223 0.09029629
0.42347656 0.46716554 0.02395398
0.42387926 0.57023305 0.03451325
0.55229045 0.65846825 0.00779931
0.55921647 0.75640783 0.04121861
0.64243148 0.78877100 0.07694281
0.62716221 0.59283462 0.00951735
0.70984750 0.62600907 0.04461748
0.71780124 0.72388998 0.07863285
0.31481579 0.44082016 0.34251921
0.33560944 0.28884035 0.24339549
0.10169996 0.75199452 0.89356636
0.98365542 0.69218760 -0.02113597
0.94506416 0.76520398 0.90968207
0.85612422 0.79389465 0.88918919
0.84001871 0.86100385 0.81674497
0.71640199 0.81808998 0.72218815
0.65080792 0.75212751 0.74651379
0.62063291 0.67895977 0.68153645
0.65854034 0.67369659 0.59323767
0.65203309 0.59939493 0.51382955
0.75593015 0.71740347 0.47620734
0.72122633 0.74293021 0.56987822
0.75064697 0.81664886 0.63195497
0.91038846 0.90207269 0.77006255
0.99997867 0.87269375 0.79157921
0.01587164 0.80240626 0.86041765
0.81413711 0.32254601 0.32886120
0.72089098 0.42669007 0.43755003
0.78537311 0.68695736 0.28832117
0.87587509 0.58301395 0.17838766
0.18520722 0.24089754 0.17872881
0.01988112 0.24266162 0.16097079
0.00868979 0.55337825 0.24154037
0.17147618 0.55218622 0.25901189
0.37975068 0.69885969 0.11645195
0.30825228 0.60041266 0.23390932
0.38457273 0.33111586 0.08187422
0.45741907 0.43051795 0.96522208
0.64801023 0.86480335 0.10458272
0.49956467 0.80561135 0.04006958
0.61963643 0.51616163 0.98491450
0.76857545 0.57544454 0.04617885
0.38761827 0.44166056 0.35898499
0.28363869 0.39564319 0.39476464
0.28759821 0.51707299 0.35172409
0.40842304 0.28937575 0.25909643
0.32517564 0.24751987 0.17646855
0.30461120 0.24764635 0.29855301
0.79951327 0.76487920 0.92518584
0.62682299 0.75569531 0.81826258
0.57153593 0.62602290 0.70191295
0.80101442 0.86799505 0.61176499
0.89405478 0.95533398 0.71524609
0.05504918 0.90352225 0.75442400
0.12043419 0.64188982 -0.00113575
0.78268134 0.74907964 0.10684066
0.90984330 0.38597231 0.19484822
0.46937560 0.62637691 0.97117497
0.17795113 0.76097607 0.86728348
0.94582770 0.64529170 0.03734841
0.75034562 0.88468716 0.79075286
0.60478503 0.52691858 0.50552933
0.81125732 0.76278124 0.43411488
0.07630357 0.68791102 0.96349668
0.71526563 0.62746123 0.44637106
No title
1
14.868462 0.244057 -0.263636
0.240947 13.462094 -0.201519
-0.257110 -0.196573 14.233989
C H O N
43 30 7 2
Direct configuration= 101
0.75211066 0.56486762 0.37390079
0.75705910 0.46115929 0.38252905
0.80862428 0.40276923 0.32098116
0.79215060 0.60743926 0.29779770
0.84353192 0.54889836 0.23618174
0.85518671 0.44714971 0.25062311
0.00286503 0.39624895 0.20232594
0.05435314 0.31016321 0.18234697
0.14791371 0.31031310 0.19292699
0.04627973 0.48415478 0.22831221
0.13989305 0.48262771 0.23832869
0.19304870 0.39588306 0.22330797
0.29582791 0.39571543 0.24261130
0.33974372 0.45701026 0.16783684
0.33921494 0.56139136 0.17479642
0.37999840 0.61797097 0.10908123
0.38148045 0.41163041 0.09015996
0.42325660 0.46709977 0.02384787
0.42372359 0.57021968 0.03450566
0.55215514 0.65853476 0.00784390
0.55915854 0.75653226 0.04117768
0.64227554 0.78889140 0.07697804
0.62708446 0.59282006 0.00951020
0.70984352 0.62598595 0.04466614
0.71762989 0.72398773 0.07866780
0.31495819 0.44071021 0.34253195
0.33567521 0.28865575 0.24338328
0.10178644 0.75232940 0.89362856
0.98385109 0.69223135 -0.02122358
0.94511587 0.76525817 0.90966250
0.85617966 0.79372387 0.88922118
0.84008973 0.86094356 0.81681427
0.71652574 0.81799757 0.72223138
0.65093214 0.75193194 0.74647918
0.62060298 0.67895831 0.68138401
0.65846731 0.67382982 0.59310419
0.65185076 0.59950181 0.51365542
0.75606785 0.71743709 0.47616516
0.72122793 0.74310464 0.56992979
0.75079971 0.81661476 0.63204747
0.91048692 0.90211870 0.77010045
0.00005901 0.87300564 0.79165952
0.01596177 0.80262820 0.86045369
0.81471641 0.32248185 0.32919721
0.72143662 0.42676496 0.43790376
0.78496590 0.68697737 0.28807528
0.87550188 0.58299311 0.17800866
0.18519224 0.24079288 0.17873756
0.01993934 0.24252139 0.16098434
0.00853698 0.55334480 0.24183356
0.17140219 0.55214319 0.25943889
0.37976100 0.69889534 0.11650646
0.30822293 0.60044422 0.23399442
0.38417199 0.33098151 0.08165171
0.45708298 0.43042266 0.96503869
0.64777975 0.86508487 0.10457003
0.49937076 0.80576660 0.03994136
0.61951739 0.51615724 0.98485237
0.76850691 0.57553701 0.04630400
0.38774632 0.44147142 0.35882897
0.28384904 0.39554114 0.39481354
0.28777018 0.51698190 0.35178648
0.40844414 0.28931012 0.25906595
0.32524087 0.24728423 0.17655175
0.30476828 0.24739951 0.29857392
0.79969973 0.76451463 0.92514855
0.62698839 0.75556237 0.81818841
0.57147206 0.62593675 0.70177149
0.80123327 0.86789043 0.61198571
0.89404753 0.95538501 0.71528513
0.05504550 0.90385104 0.75447868
0.12070408 0.64204148 -0.00136770
0.78255355 0.74915883 0.10678321
0.90982680 0.38592752 0.19478786
0.46931649 0.62634903 0.97108464
0.17817912 0.76124710 0.86748175
0.94595651 0.64537502 0.03736742
0.75043056 0.88456496 0.79080001
0.60457582 0.52719789 0.50543949
0.81142624 0.76261233 0.43416055
0.07639693 0.68799550 0.96339451
0.71522201 0.62756973 0.44633468
No title
1
14.868870 0.244043 -0.254970
0.240976 13.452427 -0.201865
-0.248690 -0.196841 14.241186
C H O N
43 30 7 2
Direct configuration= 102
0.75201828 0.56492694 0.37384318
0.75733477 0.46111118 0.38264277
0.80889024 0.40265908 0.32112080
0.79182885 0.60741774 0.29751675
0.84319927 0.54894115 0.23585644
0.85512759 0.44713065 0.25050477
0.00292313 0.39622820 0.20224366
0.05435863 0.31006558 0.18227671
0.14785887 0.31018769 0.19294936
0.04622938 0.48419253 0.22849892
0.13979515 0.48265077 0.23862166
0.19300750 0.39585184 0.22342484
0.29587146 0.39562740 0.24267041
0.33960367 0.45697388 0.16782962
0.33913316 0.56145028 0.17481960
0.37998961 0.61796827 0.10916183
0.38118917 0.41152093 0.08999771
0.42299452 0.46702134 0.02372159
0.42353807 0.57020374 0.03449670
0.55199386 0.65861407 0.00789711
0.55908952 0.75668065 0.04112896
0.64208967 0.78903498 0.07702010
0.62699182 0.59280271 0.00950172
0.70983876 0.62595839 0.04472412
0.71742567 0.72410431 0.07870954
0.31512789 0.44057909 0.34254704
0.33575361 0.28843561 0.24336868
0.10188947 0.75272875 0.89370261
0.98408433 0.69228352 -0.02132806
0.94517751 0.76532279 0.90963915
0.85624572 0.79352022 0.88925925
0.84017434 0.86087167 0.81689678
0.71667320 0.81788736 0.72228281
0.65108020 0.75169871 0.74643787
0.62056739 0.67895656 0.68120244
0.65838036 0.67398870 0.59294522
0.65163357 0.59962926 0.51344811
0.75623198 0.71747718 0.47611482
0.72122982 0.74331266 0.56999124
0.75098168 0.81657410 0.63215757
0.91060425 0.90217356 0.77014554
0.00015471 0.87337758 0.79175516
0.01606915 0.80289286 0.86049657
0.81540660 0.32240533 0.32959714
0.72208667 0.42685427 0.43832481
0.78448077 0.68700122 0.28778262
0.87505732 0.58296826 0.17755739
0.18517439 0.24066807 0.17874798
0.02000871 0.24235417 0.16100043
0.00835471 0.55330492 0.24218292
0.17131377 0.55209189 0.25994761
0.37977327 0.69893786 0.11657139
0.30818790 0.60048186 0.23409581
0.38369454 0.33082129 0.08138689
0.45668255 0.43030903 0.96482043
0.64750507 0.86542060 0.10455506
0.49913973 0.80595173 0.03978874
0.61937557 0.51615201 0.98477842
0.76842516 0.57564729 0.04645313
0.38789902 0.44124587 0.35864301
0.28409970 0.39541944 0.39487165
0.28797510 0.51687328 0.35186069
0.40846930 0.28923187 0.25902964
0.32531857 0.24700322 0.17665083
0.30495547 0.24710516 0.29859872
0.79992197 0.76407988 0.92510401
0.62718553 0.75540384 0.81809995
0.57139602 0.62583400 0.70160300
0.80149396 0.86776568 0.61224851
0.89403886 0.95544585 0.71533165
0.05504108 0.90424312 0.75454382
0.12102586 0.64222231 -0.00164418
0.78240128 0.74925325 0.10671485
0.90980717 0.38587411 0.19471597
0.46924611 0.62631579 0.97097706
0.17845071 0.76157032 0.86771781
0.94611000 0.64547438 0.03738998
0.75053176 0.88441924 0.79085613
0.60432654 0.52753096 0.50533259
0.81162752 0.76241089 0.43421485
0.07650826 0.68809625 0.96327274
0.71517005 0.62769911 0.44629138
No title
1
14.870466 0.244682 -0.247655
0.241633 13.442601 -0.202365
-0.241590 -0.197259 14.248287
C H O N
43 30 7 2
Direct configuration= 103
0.75193817 0.56489421 0.37376603
0.75753293 0.46112585 0.38281976
0.80911765 0.40256769 0.32127556
0.79146620 0.60749147 0.29728787
0.84291033 0.54893060 0.23556904
0.85507392 0.44713084 0.25040306
0.00289858 0.39623185 0.20219258
0.05433015 0.30997449 0.18220192
0.14784537 0.31013386 0.19297505
0.04610658 0.48411363 0.22864953
0.13973098 0.48261401 0.23888033
0.19297728 0.39578251 0.22352946
0.29586987 0.39550285 0.24274695
0.33948167 0.45692875 0.16787075
0.33904876 0.56145602 0.17491302
0.37999173 0.61801245 0.10920948
0.38091820 0.41142083 0.08988451
0.42275482 0.46699007 0.02359755
0.42342279 0.57020084 0.03442102
0.55191669 0.65863995 0.00790566
0.55896510 0.75687247 0.04108529
0.64193186 0.78926853 0.07708505
0.62690747 0.59287823 0.00953944
0.70966537 0.62606707 0.04475666
0.71727751 0.72420173 0.07876071
0.31528128 0.44045141 0.34253584
0.33583148 0.28828030 0.24339038
0.10197091 0.75305585 0.89376973
0.98428654 0.69231461 -0.02136294
0.94529614 0.76535766 0.90961823
0.85629116 0.79336467 0.88924923
0.84026919 0.86074012 0.81702381
0.71677073 0.81775364 0.72235591
0.65120238 0.75148468 0.74639745
0.62050465 0.67891774 0.68107930
0.65834180 0.67423847 0.59282055
0.65153288 0.59984707 0.51326231
0.75632560 0.71750144 0.47614016
0.72120132 0.74338441 0.56998550
0.75113827 0.81657759 0.63224259
0.91068589 0.90230705 0.77015149
0.00021224 0.87366982 0.79186066
0.01614721 0.80322154 0.86049772
0.81604733 0.32235367 0.32992359
0.72271235 0.42691029 0.43872348
0.78405290 0.68703447 0.28749781
0.87463926 0.58291391 0.17715582
0.18517219 0.24054720 0.17876180
0.02006790 0.24218961 0.16101094
0.00817384 0.55325216 0.24252327
0.17122212 0.55203398 0.26042092
0.37979901 0.69893851 0.11663279
0.30814058 0.60053139 0.23420276
0.38324692 0.33067328 0.08111596
0.45632790 0.43020846 0.96459355
0.64725750 0.86565897 0.10449596
0.49899535 0.80611173 0.03962737
0.61925701 0.51610591 0.98466576
0.76844021 0.57565394 0.04655872
0.38805916 0.44104451 0.35845271
0.28431700 0.39529875 0.39491937
0.28815677 0.51677208 0.35192443
0.40853916 0.28917758 0.25899830
0.32537602 0.24673974 0.17674261
0.30512034 0.24681407 0.29861720
0.80012086 0.76362499 0.92512460
0.62732111 0.75525186 0.81797635
0.57135396 0.62576443 0.70140055
0.80175687 0.86768762 0.61247118
0.89408334 0.95551311 0.71543330
0.05508477 0.90457045 0.75460217
0.12129187 0.64242521 -0.00189765
0.78219796 0.74932092 0.10662693
0.90989535 0.38588571 0.19461899
0.46916251 0.62623932 0.97091420
0.17874810 0.76192181 0.86791821
0.94627247 0.64561729 0.03732455
0.75061672 0.88430862 0.79092766
0.60402583 0.52770098 0.50523693
0.81191639 0.76228132 0.43419590
0.07659016 0.68815464 0.96322808
0.71511759 0.62779074 0.44624584
No title
1
14.871877 0.245247 -0.241187
0.242214 13.433913 -0.202807
-0.235312 -0.197629 14.254566
C H O N
43 30 7 2
Direct configuration= 104
0.75186738 0.56486524 0.37369787
0.75770806 0.46113882 0.38297609
0.80931864 0.40248681 0.32141223
0.79114565 0.60755672 0.29708575
0.84265500 0.54892128 0.23531518
0.85502651 0.44713101 0.25031320
0.00287691 0.39623508 0.20214745
0.05430500 0.30989389 0.18213583
0.14783342 0.31008624 0.19299775
0.04599795 0.48404382 0.22878268
0.13967414 0.48258148 0.23910897
0.19295052 0.39572117 0.22362194
0.29586843 0.39539265 0.24281459
0.33937379 0.45688881 0.16790714
0.33897409 0.56146111 0.17499562
0.37999359 0.61805155 0.10925159
0.38067868 0.41133227 0.08978459
0.42254295 0.46696241 0.02348803
0.42332090 0.57019828 0.03435419
0.55184846 0.65866284 0.00791326
0.55885511 0.75704222 0.04104676
0.64179229 0.78947520 0.07714254
0.62683288 0.59294506 0.00957282
0.70951206 0.62616324 0.04478551
0.71714650 0.72428795 0.07880600
0.31541692 0.44033842 0.34252587
0.33590032 0.28814286 0.24340952
0.10204286 0.75334530 0.89382902
0.98446534 0.69234211 -0.02139385
0.94540104 0.76538851 0.90959970
0.85633134 0.79322703 0.88924036
0.84035300 0.86062371 0.81713603
0.71685693 0.81763531 0.72242047
0.65131043 0.75129528 0.74636166
0.62044924 0.67888339 0.68097049
0.65830775 0.67445948 0.59271039
0.65144392 0.60003981 0.51309816
0.75640836 0.71752291 0.47616250
0.72117612 0.74344790 0.56998045
0.75127669 0.81658068 0.63231766
0.91075806 0.90242516 0.77015671
0.00026304 0.87392842 0.79195388
0.01621622 0.80351237 0.86049872
0.81661370 0.32230793 0.33021182
0.72326536 0.42695985 0.43907553
0.78367473 0.68706391 0.28724630
0.87426981 0.58286582 0.17680110
0.18517023 0.24044024 0.17877401
0.02012023 0.24204398 0.16102019
0.00801378 0.55320550 0.24282414
0.17114089 0.55198275 0.26083926
0.37982174 0.69893907 0.11668704
0.30809870 0.60057523 0.23429731
0.38285129 0.33054232 0.08087670
0.45601443 0.43011948 0.96439319
0.64703863 0.86586991 0.10444386
0.49886776 0.80625332 0.03948482
0.61915225 0.51606513 0.98456624
0.76845347 0.57565982 0.04665203
0.38820085 0.44086632 0.35828445
0.28450912 0.39519194 0.39496144
0.28831737 0.51668253 0.35198067
0.40860094 0.28912954 0.25897058
0.32542679 0.24650658 0.17682369
0.30526612 0.24655649 0.29863345
0.80029672 0.76322246 0.92514269
0.62744104 0.75511736 0.81786705
0.57131687 0.62570287 0.70122164
0.80198923 0.86761854 0.61266784
0.89412262 0.95557263 0.71552312
0.05512335 0.90486009 0.75465374
0.12152716 0.64260472 -0.00212177
0.78201823 0.74938080 0.10654932
0.90997335 0.38589597 0.19453325
0.46908862 0.62617165 0.97085868
0.17901092 0.76223284 0.86809520
0.94641614 0.64574373 0.03726667
0.75069181 0.88421073 0.79099083
0.60375999 0.52785144 0.50515252
0.81217180 0.76216665 0.43417901
0.07666259 0.68820630 0.96318857
0.71507122 0.62787183 0.44620561
No title
1
14.872303 0.246655 -0.235237
0.243545 13.424625 -0.204046
-0.229515 -0.198843 14.260691
C H O N
43 30 7 2
Direct configuration= 105
0.75179763 0.56485658 0.37359313
0.75789723 0.46115129 0.38313600
0.80951683 0.40252891 0.32154501
0.79080430 0.60758105 0.29689213
0.84236519 0.54890162 0.23512683
0.85497651 0.44709650 0.25026440
0.00278292 0.39617431 0.20212466
0.05432236 0.30984690 0.18208258
0.14782146 0.31005470 0.19300392
0.04590772 0.48396177 0.22893415
0.13958738 0.48246365 0.23931638
0.19294372 0.39564313 0.22375264
0.29579515 0.39524051 0.24289897
0.33929918 0.45679079 0.16795073
0.33894132 0.56145019 0.17509962
0.37996887 0.61801764 0.10927545
0.38043540 0.41129817 0.08973327
0.42231310 0.46690088 0.02337361
0.42325947 0.57022901 0.03427401
0.55179823 0.65872536 0.00786718
0.55871102 0.75721136 0.04101475
0.64163780 0.78966772 0.07716012
0.62672977 0.59297040 0.00960304
0.70934092 0.62627340 0.04480442
0.71696283 0.72443795 0.07885335
0.31553459 0.44020520 0.34248328
0.33596396 0.28802656 0.24346116
0.10234760 0.75358577 0.89381557
0.98459160 0.69243311 -0.02143646
0.94559019 0.76542578 0.90955066
0.85644674 0.79307051 0.88923203
0.84044546 0.86055474 0.81715494
0.71696748 0.81751357 0.72245786
0.65136910 0.75110236 0.74629433
0.62042467 0.67886463 0.68091231
0.65819232 0.67461947 0.59263424
0.65132295 0.60017941 0.51298066
0.75650578 0.71759705 0.47619295
0.72127596 0.74355035 0.56988259
0.75134410 0.81656007 0.63238238
0.91073995 0.90251261 0.77027669
0.00028030 0.87420045 0.79196878
0.01629160 0.80375701 0.86059676
0.81718006 0.32224935 0.33046201
0.72380633 0.42694907 0.43949876
0.78329864 0.68717607 0.28697222
0.87389338 0.58278547 0.17646436
0.18518279 0.24033189 0.17879284
0.02015464 0.24187090 0.16100995
0.00785271 0.55311792 0.24313940
0.17104070 0.55192668 0.26126431
0.37986416 0.69897927 0.11675247
0.30804179 0.60063915 0.23440967
0.38244802 0.33041394 0.08061408
0.45570442 0.43004967 0.96418314
0.64683810 0.86606856 0.10436945
0.49881303 0.80640155 0.03932356
0.61908392 0.51606427 0.98445478
0.76843634 0.57565268 0.04669342
0.38836512 0.44069912 0.35808962
0.28468259 0.39506492 0.39500034
0.28846654 0.51662105 0.35203628
0.40870847 0.28909769 0.25893292
0.32547335 0.24627868 0.17691100
0.30540212 0.24628962 0.29864578
0.80044363 0.76276542 0.92522523
0.62748538 0.75495900 0.81776868
0.57128660 0.62564682 0.70099266
0.80226588 0.86760986 0.61282742
0.89420178 0.95569650 0.71562873
0.05521688 0.90511632 0.75471158
0.12174390 0.64278554 -0.00230288
0.78181494 0.74943980 0.10647283
0.91007267 0.38598191 0.19441333
0.46907863 0.62610970 0.97085381
0.17904262 0.76259125 0.86833318
0.94651267 0.64583099 0.03722091
0.75076991 0.88410267 0.79109081
0.60355115 0.52803935 0.50507804
0.81246045 0.76205775 0.43416678
0.07678354 0.68833339 0.96310641
0.71502782 0.62789584 0.44612811
No title
1
14.872633 0.247750 -0.230610
0.244580 13.417404 -0.205010
-0.225007 -0.199787 14.265454
C H O N
43 30 7 2
Direct configuration= 106
0.75174342 0.56484985 0.37351175
0.75804427 0.46116098 0.38326023
0.80967089 0.40256166 0.32164814
0.79053895 0.60760001 0.29674175
0.84213992 0.54888634 0.23498054
0.85493766 0.44706966 0.25022649
0.00270985 0.39612704 0.20210697
0.05433588 0.30981033 0.18204118
0.14781217 0.31003016 0.19300872
0.04583752 0.48389794 0.22905190
0.13951987 0.48237199 0.23947761
0.19293839 0.39558242 0.22385423
0.29573816 0.39512214 0.24296456
0.33924117 0.45671454 0.16798462
0.33891581 0.56144171 0.17518046
0.37994964 0.61799125 0.10929399
0.38024625 0.41127166 0.08969345
0.42213442 0.46685301 0.02328476
0.42321172 0.57025292 0.03421172
0.55175919 0.65877401 0.00783138
0.55859898 0.75734298 0.04098993
0.64151765 0.78981754 0.07717385
0.62664960 0.59299013 0.00962657
0.70920784 0.62635912 0.04481919
0.71681999 0.72455470 0.07889023
0.31562612 0.44010153 0.34245014
0.33601343 0.28793606 0.24350128
0.10258454 0.75377285 0.89380502
0.98468979 0.69250390 -0.02146961
0.94573728 0.76545476 0.90951248
0.85653648 0.79294871 0.88922551
0.84051734 0.86050107 0.81716960
0.71705343 0.81741883 0.72248688
0.65141475 0.75095224 0.74624197
0.62040557 0.67885004 0.68086710
0.65810258 0.67474397 0.59257511
0.65122892 0.60028803 0.51288938
0.75658150 0.71765472 0.47621658
0.72135362 0.74363004 0.56980650
0.75139649 0.81654402 0.63243265
0.91072582 0.90258067 0.77036995
0.00029370 0.87441212 0.79198038
0.01635017 0.80394736 0.86067295
0.81762034 0.32220373 0.33065627
0.72422681 0.42694066 0.43982752
0.78300629 0.68726335 0.28675934
0.87360080 0.58272296 0.17620275
0.18519256 0.24024759 0.17880747
0.02018142 0.24173622 0.16100197
0.00772738 0.55304982 0.24338446
0.17096268 0.55188309 0.26159469
0.37989712 0.69901054 0.11680331
0.30799750 0.60068890 0.23449703
0.38213456 0.33031407 0.08041008
0.45546344 0.42999535 0.96401998
0.64668220 0.86622314 0.10431170
0.49877052 0.80651688 0.03919825
0.61903083 0.51606360 0.98436818
0.76842302 0.57564712 0.04672560
0.38849292 0.44056900 0.35793812
0.28481747 0.39496607 0.39503050
0.28858250 0.51657321 0.35207944
0.40879209 0.28907289 0.25890362
0.32550954 0.24610135 0.17697882
0.30550789 0.24608195 0.29865530
0.80055788 0.76240979 0.92528930
0.62751989 0.75483576 0.81769221
0.57126314 0.62560319 0.70081470
0.80248094 0.86760310 0.61295136
0.89426328 0.95579289 0.71571080
0.05528956 0.90531569 0.75475653
0.12191246 0.64292620 -0.00244370
0.78165690 0.74948572 0.10641344
0.91014992 0.38604877 0.19432009
0.46907087 0.62606149 0.97085003
0.17906716 0.76287014 0.86851816
0.94658773 0.64589887 0.03718532
0.75083061 0.88401858 0.79116848
0.60338878 0.52818558 0.50502024
0.81268490 0.76197299 0.43415718
0.07687760 0.68843225 0.96304252
0.71499410 0.62791453 0.44606789
No title
1
14.873062 0.248994 -0.226544
0.245757 13.410179 -0.206089
-0.221044 -0.200850 14.269914
C H O N
43 30 7 2
Direct configuration= 107
0.75167466 0.56487620 0.37344540
0.75819280 0.46115732 0.38338540
0.80983534 0.40257748 0.32174263
0.79029046 0.60761524 0.29657836
0.84191380 0.54887219 0.23485233
0.85490857 0.44705658 0.25019644
0.00266706 0.39606585 0.20211041
0.05435391 0.30975819 0.18200026
0.14781319 0.30998327 0.19300171
0.04578702 0.48384022 0.22918042
0.13944387 0.48229610 0.23964027
0.19293237 0.39550774 0.22397075
0.29567503 0.39500783 0.24302498
0.33918785 0.45663590 0.16803399
0.33891675 0.56142802 0.17525499
0.37991495 0.61795353 0.10931560
0.38007835 0.41123334 0.08964454
0.42195434 0.46680159 0.02319930
0.42316931 0.57025014 0.03417254
0.55170694 0.65886346 0.00778511
0.55851891 0.75743387 0.04096659
0.64136338 0.78993634 0.07715141
0.62657210 0.59297855 0.00963767
0.70913081 0.62639262 0.04483235
0.71664528 0.72468023 0.07891396
0.31570477 0.44000208 0.34242263
0.33606497 0.28782633 0.24354103
0.10261371 0.75392197 0.89385186
0.98477972 0.69259131 -0.02150981
0.94586968 0.76548719 0.90948310
0.85664471 0.79281615 0.88922376
0.84055364 0.86044193 0.81717988
0.71713965 0.81732713 0.72251410
0.65145076 0.75084919 0.74620759
0.62040224 0.67883491 0.68081244
0.65802102 0.67484335 0.59249496
0.65112410 0.60037593 0.51283314
0.75669517 0.71772092 0.47617960
0.72143755 0.74370632 0.56974229
0.75146912 0.81655495 0.63245188
0.91070748 0.90266226 0.77047331
0.00030959 0.87458068 0.79200024
0.01646574 0.80413557 0.86073231
0.81803724 0.32218629 0.33082593
0.72462709 0.42691087 0.44017090
0.78272007 0.68736728 0.28654872
0.87330892 0.58264297 0.17597425
0.18520499 0.24017009 0.17882411
0.02021079 0.24161153 0.16098646
0.00761100 0.55296499 0.24362604
0.17086520 0.55181703 0.26190826
0.37993680 0.69905300 0.11685912
0.30795504 0.60074129 0.23458057
0.38182848 0.33023847 0.08020952
0.45522740 0.42994931 0.96386513
0.64654205 0.86639482 0.10425637
0.49873242 0.80665810 0.03907038
0.61899980 0.51608682 0.98428581
0.76834563 0.57567614 0.04672841
0.38861352 0.44044757 0.35777383
0.28494187 0.39486317 0.39505431
0.28869004 0.51653922 0.35212029
0.40887595 0.28905651 0.25886544
0.32554846 0.24594084 0.17705570
0.30560641 0.24588168 0.29866566
0.80068571 0.76206502 0.92535384
0.62751544 0.75470102 0.81763073
0.57123189 0.62555390 0.70062838
0.80267822 0.86759762 0.61306484
0.89433204 0.95591023 0.71580520
0.05537362 0.90549596 0.75480286
0.12206182 0.64305513 -0.00254893
0.78151144 0.74954207 0.10636878
0.91016122 0.38612713 0.19421393
0.46910178 0.62603902 0.97085323
0.17923786 0.76318951 0.86863366
0.94663629 0.64594720 0.03715557
0.75087958 0.88391456 0.79124427
0.60325265 0.52833201 0.50496388
0.81288300 0.76187389 0.43417983
0.07700913 0.68855378 0.96296575
0.71496485 0.62794605 0.44601430
No title
1
14.873534 0.250364 -0.222065
0.247053 13.402218 -0.207277
-0.216677 -0.202021 14.274828
C H O N
43 30 7 2
Direct configuration= 108
0.75159892 0.56490525 0.37337234
0.75835639 0.46115328 0.38352322
0.81001650 0.40259490 0.32184665
0.79001674 0.60763204 0.29639849
0.84166473 0.54885662 0.23471119
0.85487653 0.44704217 0.25016335
0.00261993 0.39599841 0.20211420
0.05437380 0.30970071 0.18195519
0.14781433 0.30993157 0.19299399
0.04573135 0.48377662 0.22932198
0.13936009 0.48221247 0.23981943
0.19292570 0.39542544 0.22409908
0.29560547 0.39488184 0.24309154
0.33912910 0.45654923 0.16808838
0.33891777 0.56141295 0.17533708
0.37987672 0.61791195 0.10933940
0.37989339 0.41119112 0.08959071
0.42175596 0.46674491 0.02310522
0.42312260 0.57024708 0.03412940
0.55164938 0.65896208 0.00773417
0.55843069 0.75753406 0.04094092
0.64119340 0.79006731 0.07712675
0.62648671 0.59296579 0.00964991
0.70904594 0.62642956 0.04484687
0.71645278 0.72481863 0.07894016
0.31579144 0.43989245 0.34239229
0.33612174 0.28770536 0.24358479
0.10264581 0.75408635 0.89390346
0.98487881 0.69268765 -0.02155412
0.94601555 0.76552292 0.90945070
0.85676395 0.79267001 0.88922179
0.84059363 0.86037673 0.81719118
0.71723464 0.81722604 0.72254404
0.65149044 0.75073558 0.74616971
0.62039858 0.67881824 0.68075224
0.65793117 0.67495290 0.59240671
0.65100862 0.60047284 0.51277124
0.75682039 0.71779389 0.47613885
0.72153004 0.74379039 0.56967155
0.75154913 0.81656699 0.63247303
0.91068724 0.90275222 0.77058716
0.00032707 0.87476649 0.79202213
0.01659303 0.80434303 0.86079766
0.81849649 0.32216702 0.33101265
0.72506798 0.42687802 0.44054896
0.78240479 0.68748185 0.28631685
0.87298745 0.58255481 0.17572267
0.18521870 0.24008466 0.17884243
0.02024318 0.24147406 0.16096935
0.00748271 0.55287152 0.24389214
0.17075771 0.55174426 0.26225365
0.37998049 0.69909981 0.11692058
0.30790823 0.60079905 0.23467260
0.38149133 0.33015515 0.07998872
0.45496741 0.42989856 0.96369465
0.64638764 0.86658407 0.10419550
0.49869046 0.80681377 0.03892956
0.61896565 0.51611240 0.98419511
0.76826035 0.57570814 0.04673152
0.38874645 0.44031369 0.35759283
0.28507891 0.39474973 0.39508047
0.28880851 0.51650175 0.35216525
0.40896835 0.28903843 0.25882336
0.32559133 0.24576391 0.17714036
0.30571497 0.24566090 0.29867701
0.80082655 0.76168496 0.92542486
0.62751057 0.75455248 0.81756302
0.57119752 0.62549955 0.70042316
0.80289555 0.86759157 0.61318977
0.89440776 0.95603958 0.71590917
0.05546620 0.90569468 0.75485388
0.12222640 0.64319723 -0.00266486
0.78135120 0.74960420 0.10631963
0.91017370 0.38621349 0.19409701
0.46913582 0.62601425 0.97085676
0.17942587 0.76354155 0.86876085
0.94668979 0.64600047 0.03712280
0.75093351 0.88379989 0.79132773
0.60310267 0.52849343 0.50490187
0.81310125 0.76176464 0.43420472
0.07715404 0.68868773 0.96288117
0.71493264 0.62798080 0.44595528
No title
1
14.874478 0.253104 -0.213106
0.249646 13.386298 -0.209653
-0.207944 -0.204363 14.284656
C H O N
43 30 7 2
Direct configuration= 109
0.75144748 0.56496338 0.37322634
0.75868349 0.46114518 0.38379865
0.81037873 0.40262975 0.32205451
0.78946944 0.60766568 0.29603904
0.84116668 0.54882547 0.23442916
0.85481248 0.44701332 0.25009722
0.00252568 0.39586345 0.20212179
0.05441361 0.30958567 0.18186505
0.14781661 0.30982811 0.19297854
0.04561995 0.48364937 0.22960504
0.13919246 0.48204516 0.24017767
0.19291230 0.39526076 0.22435564
0.29546634 0.39462973 0.24322463
0.33901159 0.45637581 0.16819715
0.33891976 0.56138278 0.17550119
0.37980027 0.61782875 0.10938701
0.37952353 0.41110665 0.08948321
0.42135930 0.46663152 0.02291724
0.42302920 0.57024095 0.03404318
0.55153429 0.65915943 0.00763238
0.55825426 0.75773457 0.04088968
0.64085346 0.79032945 0.07707759
0.62631594 0.59294029 0.00967444
0.70887619 0.62650350 0.04487598
0.71606776 0.72509564 0.07899269
0.31596482 0.43967302 0.34233156
0.33623530 0.28746327 0.24367222
0.10270995 0.75441532 0.89400661
0.98507699 0.69288042 -0.02164274
0.94630729 0.76559440 0.90938584
0.85700247 0.79237754 0.88921775
0.84067362 0.86024624 0.81721373
0.71742461 0.81702371 0.72260382
0.65156985 0.75050821 0.74609392
0.62039130 0.67878485 0.68063189
0.65775152 0.67517213 0.59223035
0.65077770 0.60066678 0.51264756
0.75707085 0.71793986 0.47605730
0.72171503 0.74395859 0.56953008
0.75170913 0.81659107 0.63251526
0.91064667 0.90293226 0.77081481
0.00036198 0.87513833 0.79206590
0.01684753 0.80475819 0.86092827
0.81941485 0.32212841 0.33138568
0.72594950 0.42681224 0.44130454
0.78177437 0.68771116 0.28585349
0.87234468 0.58237841 0.17521987
0.18524612 0.23991369 0.17887903
0.02030798 0.24119897 0.16093511
0.00722601 0.55268454 0.24442421
0.17054255 0.55159870 0.26294425
0.38006783 0.69919347 0.11704343
0.30781455 0.60091468 0.23485663
0.38081720 0.32998843 0.07954746
0.45444755 0.42979704 0.96335396
0.64607885 0.86696282 0.10407393
0.49860660 0.80712528 0.03864808
0.61889739 0.51616360 0.98401379
0.76808981 0.57577220 0.04673781
0.38901243 0.44004572 0.35723086
0.28535300 0.39452269 0.39513268
0.28904542 0.51642673 0.35225504
0.40915318 0.28900222 0.25873917
0.32567706 0.24540984 0.17730955
0.30593212 0.24521905 0.29869961
0.80110825 0.76092436 0.92556669
0.62750089 0.75425521 0.81742761
0.57112891 0.62539076 0.70001290
0.80333010 0.86757945 0.61343940
0.89455909 0.95629843 0.71611700
0.05565127 0.90609233 0.75495585
0.12255558 0.64348155 -0.00289671
0.78103075 0.74972855 0.10622149
0.91019871 0.38638630 0.19386326
0.46920392 0.62596467 0.97086377
0.17980172 0.76424603 0.86901509
0.94679679 0.64610705 0.03705724
0.75104135 0.88357041 0.79149453
0.60280273 0.52881650 0.50477800
0.81353774 0.76154595 0.43425431
0.07744390 0.68895574 0.96271200
0.71486825 0.62805034 0.44583732
No title
1
14.873990 0.251686 -0.217741
0.248304 13.394535 -0.208424
-0.212462 -0.203151 14.279571
C H O N
43 30 7 2
Direct configuration= 110
0.75152579 0.56493326 0.37330178
0.75851435 0.46114939 0.38365634
0.81019139 0.40261172 0.32194715
0.78975249 0.60764823 0.29622471
0.84142426 0.54884157 0.23457482
0.85484559 0.44702826 0.25013140
0.00257443 0.39593335 0.20211785
0.05439297 0.30964528 0.18191168
0.14781541 0.30988171 0.19298654
0.04567766 0.48371525 0.22945866
0.13927928 0.48213178 0.23999241
0.19291929 0.39534604 0.22422300
0.29553833 0.39476030 0.24315579
0.33907240 0.45646563 0.16814089
0.33891878 0.56139839 0.17541634
0.37983983 0.61787184 0.10936237
0.37971484 0.41115037 0.08953868
0.42156445 0.46669023 0.02301432
0.42307749 0.57024412 0.03408773
0.55159382 0.65905719 0.00768495
0.55834555 0.75763069 0.04091610
0.64102935 0.79019362 0.07710287
0.62640429 0.59295348 0.00966170
0.70896403 0.62646518 0.04486087
0.71626700 0.72495210 0.07896538
0.31587508 0.43978672 0.34236303
0.33617655 0.28758868 0.24362708
0.10267683 0.75424490 0.89395327
0.98497445 0.69278059 -0.02159687
0.94615634 0.76555741 0.90941947
0.85687904 0.79252907 0.88921994
0.84063223 0.86031384 0.81720211
0.71732632 0.81712853 0.72257299
0.65152872 0.75062601 0.74613315
0.62039502 0.67880215 0.68069412
0.65784443 0.67505856 0.59232146
0.65089716 0.60056630 0.51271141
0.75694126 0.71786428 0.47609954
0.72161929 0.74387149 0.56960327
0.75162637 0.81657861 0.63249348
0.91066775 0.90283897 0.77069708
0.00034397 0.87494571 0.79204324
0.01671594 0.80454314 0.86086078
0.81893983 0.32214848 0.33119311
0.72549365 0.42684634 0.44091417
0.78210041 0.68759234 0.28609284
0.87267705 0.58246977 0.17547965
0.18523193 0.24000225 0.17886013
0.02027441 0.24134148 0.16095286
0.00735897 0.55278132 0.24414904
0.17065407 0.55167401 0.26258712
0.38002269 0.69914495 0.11697993
0.30786309 0.60085475 0.23476144
0.38116582 0.33007476 0.07977540
0.45471639 0.42984960 0.96352995
0.64623861 0.86676660 0.10413665
0.49864993 0.80696393 0.03879356
0.61893265 0.51613709 0.98410751
0.76817805 0.57573899 0.04673450
0.38887468 0.44018460 0.35741813
0.28521119 0.39464033 0.39510580
0.28892287 0.51646561 0.35220870
0.40905752 0.28902101 0.25878276
0.32563273 0.24559325 0.17722213
0.30581973 0.24544796 0.29868804
0.80096247 0.76131839 0.92549352
0.62750583 0.75440921 0.81749765
0.57116427 0.62544715 0.70022501
0.80310535 0.86758575 0.61331047
0.89448088 0.95616433 0.71600957
0.05555559 0.90588635 0.75490315
0.12238523 0.64333432 -0.00277675
0.78119653 0.74966411 0.10627212
0.91018572 0.38629680 0.19398411
0.46916869 0.62599036 0.97086017
0.17960742 0.76388111 0.86888370
0.94674142 0.64605186 0.03709116
0.75098559 0.88368928 0.79140835
0.60295790 0.52864912 0.50484192
0.81331190 0.76165928 0.43422883
0.07729391 0.68881695 0.96279954
0.71490153 0.62801432 0.44589828
No title
1
14.873865 0.252716 -0.213234
0.249288 13.386784 -0.209034
-0.208076 -0.203716 14.283793
C H O N
43 30 7 2
Direct configuration= 111
0.75141720 0.56498241 0.37327383
0.75867994 0.46112426 0.38381360
0.81040590 0.40252842 0.32205456
0.78948607 0.60773279 0.29602344
0.84119335 0.54882953 0.23440596
0.85482372 0.44707006 0.25009507
0.00261621 0.39587933 0.20215971
0.05439283 0.30951645 0.18185795
0.14783889 0.30977706 0.19296988
0.04563058 0.48364903 0.22961939
0.13921295 0.48210915 0.24020893
0.19287106 0.39523682 0.22436500
0.29551724 0.39465841 0.24320711
0.33900925 0.45639835 0.16820769
0.33893228 0.56137818 0.17550849
0.37979993 0.61789233 0.10939175
0.37955074 0.41105374 0.08944992
0.42136925 0.46663933 0.02291188
0.42302117 0.57018184 0.03410359
0.55154223 0.65913516 0.00764152
0.55826673 0.75771179 0.04087515
0.64082457 0.79033688 0.07705316
0.62637716 0.59297547 0.00967219
0.70888291 0.62645315 0.04486539
0.71608493 0.72501973 0.07895692
0.31594777 0.43969696 0.34236896
0.33624884 0.28741147 0.24365809
0.10274641 0.75445501 0.89397984
0.98505653 0.69282789 -0.02159512
0.94624637 0.76561518 0.90941207
0.85695970 0.79236402 0.88922098
0.84060960 0.86018985 0.81728200
0.71740642 0.81703474 0.72260099
0.65157305 0.75060393 0.74614588
0.62040479 0.67877776 0.68057291
0.65785023 0.67519138 0.59217823
0.65082809 0.60072136 0.51267875
0.75702675 0.71783750 0.47602597
0.72163720 0.74390728 0.56959733
0.75178299 0.81664533 0.63247285
0.91070381 0.90298087 0.77077394
0.00042236 0.87505726 0.79212337
0.01688279 0.80476350 0.86085518
0.81937594 0.32218667 0.33135661
0.72593835 0.42681071 0.44128569
0.78177595 0.68767735 0.28586346
0.87233842 0.58235430 0.17528099
0.18525572 0.23990644 0.17887366
0.02032814 0.24123343 0.16092297
0.00724093 0.55267655 0.24441942
0.17050833 0.55156071 0.26291676
0.38007205 0.69917271 0.11705038
0.30783913 0.60090154 0.23482305
0.38082882 0.33002531 0.07956002
0.45444552 0.42979999 0.96337467
0.64609089 0.86698592 0.10407528
0.49859084 0.80717439 0.03864876
0.61892055 0.51615192 0.98401301
0.76801651 0.57581071 0.04669971
0.38897443 0.44005490 0.35720613
0.28534559 0.39452185 0.39512012
0.28903688 0.51643848 0.35225157
0.40911863 0.28901019 0.25872010
0.32568933 0.24543335 0.17731868
0.30592596 0.24523319 0.29870974
0.80118586 0.76098252 0.92551768
0.62745249 0.75423940 0.81745409
0.57111036 0.62537970 0.70001548
0.80327580 0.86755732 0.61343467
0.89455292 0.95631442 0.71614983
0.05562658 0.90606492 0.75496641
0.12253681 0.64346756 -0.00284803
0.78104149 0.74976131 0.10624911
0.91007183 0.38635614 0.19383930
0.46921133 0.62600752 0.97085416
0.17976049 0.76426302 0.86898615
0.94681722 0.64613417 0.03699746
0.75100688 0.88353038 0.79147448
0.60278437 0.52873085 0.50476722
0.81357126 0.76158831 0.43423994
0.07743002 0.68893904 0.96275028
0.71487293 0.62813392 0.44587382
No title
1
14.873700 0.254078 -0.207268
0.250591 13.376524 -0.209842
-0.202270 -0.204463 14.289382
C H O N
43 30 7 2
Direct configuration= 112
0.75127347 0.56504751 0.37323689
0.75889907 0.46109097 0.38402161
0.81068980 0.40241808 0.32219658
0.78913350 0.60784481 0.29575724
0.84088778 0.54881360 0.23418263
0.85479479 0.44712541 0.25004701
0.00267148 0.39580780 0.20221508
0.05439267 0.30934583 0.18178685
0.14786997 0.30963847 0.19294781
0.04556820 0.48356135 0.22983207
0.13912507 0.48207921 0.24049545
0.19280717 0.39509217 0.22455289
0.29548932 0.39452348 0.24327501
0.33892565 0.45630925 0.16829609
0.33895012 0.56135142 0.17563040
0.37974711 0.61791946 0.10943063
0.37933358 0.41092578 0.08933255
0.42111093 0.46657194 0.02277642
0.42294662 0.57009937 0.03412459
0.55147395 0.65923841 0.00758408
0.55816242 0.75781919 0.04082102
0.64055355 0.79052663 0.07698747
0.62634124 0.59300459 0.00968609
0.70877554 0.62643724 0.04487141
0.71584395 0.72510933 0.07894580
0.31604400 0.43957809 0.34237677
0.33634452 0.28717677 0.24369909
0.10283848 0.75473325 0.89401499
0.98516516 0.69289053 -0.02159285
0.94636554 0.76569168 0.90940224
0.85706648 0.79214543 0.88922231
0.84057963 0.86002565 0.81738771
0.71751244 0.81691053 0.72263800
0.65163172 0.75057468 0.74616271
0.62041777 0.67874544 0.68041252
0.65785795 0.67536727 0.59198871
0.65073667 0.60092672 0.51263556
0.75713994 0.71780203 0.47592858
0.72166091 0.74395467 0.56958945
0.75199030 0.81673368 0.63244550
0.91075148 0.90316879 0.77087563
0.00052608 0.87520498 0.79222937
0.01710360 0.80505531 0.86084772
0.81995309 0.32223722 0.33157278
0.72652679 0.42676348 0.44177708
0.78134659 0.68778996 0.28556008
0.87189029 0.58220141 0.17501826
0.18528722 0.23977954 0.17889155
0.02039927 0.24109032 0.16088339
0.00708460 0.55253781 0.24477722
0.17031532 0.55141069 0.26335299
0.38013735 0.69920948 0.11714358
0.30780740 0.60096351 0.23490458
0.38038287 0.32995984 0.07927517
0.45408707 0.42973431 0.96316931
0.64589537 0.86727638 0.10399415
0.49851267 0.80745311 0.03845719
0.61890456 0.51617156 0.98388797
0.76780270 0.57590571 0.04665374
0.38910655 0.43988311 0.35692558
0.28552348 0.39436494 0.39513899
0.28918777 0.51640255 0.35230826
0.40919954 0.28899586 0.25863716
0.32576423 0.24522160 0.17744641
0.30606657 0.24494876 0.29873839
0.80148157 0.76053768 0.92554954
0.62738194 0.75401452 0.81739647
0.57103911 0.62529036 0.69973825
0.80350137 0.86751966 0.61359894
0.89464818 0.95651319 0.71633539
0.05572051 0.90630141 0.75505009
0.12273746 0.64364399 -0.00294240
0.78083629 0.74989005 0.10621873
0.90992113 0.38643473 0.19364774
0.46926777 0.62603023 0.97084619
0.17996301 0.76476878 0.86912167
0.94691758 0.64624317 0.03687346
0.75103504 0.88331994 0.79156198
0.60255470 0.52883910 0.50466847
0.81391454 0.76149429 0.43425453
0.07761018 0.68910072 0.96268505
0.71483507 0.62829231 0.44584146
No title
1
14.872040 0.254580 -0.201402
0.251058 13.369150 -0.209795
-0.196569 -0.204356 14.293060
C H O N
43 30 7 2
Direct configuration= 113
0.75116560 0.56509435 0.37318951
0.75910847 0.46104715 0.38418070
0.81092310 0.40240811 0.32233485
0.78883783 0.60792064 0.29558390
0.84061531 0.54884685 0.23402373
0.85474796 0.44716207 0.25003546
0.00269382 0.39569939 0.20226147
0.05441888 0.30919444 0.18175270
0.14786555 0.30948182 0.19293540
0.04553819 0.48351304 0.23004865
0.13906238 0.48200492 0.24075516
0.19271757 0.39498944 0.22472164
0.29552083 0.39442136 0.24333120
0.33888671 0.45623258 0.16830411
0.33896887 0.56135111 0.17572112
0.37972102 0.61795613 0.10948019
0.37914031 0.41084806 0.08924909
0.42090682 0.46647467 0.02266898
0.42289002 0.57007414 0.03418926
0.55146141 0.65922735 0.00756127
0.55798360 0.75796738 0.04073761
0.64041394 0.79070450 0.07694662
0.62633278 0.59305853 0.00966367
0.70861795 0.62648155 0.04487491
0.71569019 0.72512532 0.07890985
0.31610605 0.43951301 0.34240278
0.33641662 0.28698048 0.24372666
0.10312516 0.75504541 0.89398741
0.98532497 0.69299380 -0.02168291
0.94648931 0.76579867 0.90939546
0.85712519 0.79196408 0.88921094
0.84059613 0.85992205 0.81745845
0.71762157 0.81685996 0.72259379
0.65162456 0.75052839 0.74612957
0.62045316 0.67877834 0.68026694
0.65788347 0.67547545 0.59190094
0.65061752 0.60098442 0.51256688
0.75723254 0.71776484 0.47585883
0.72173742 0.74407727 0.56958162
0.75211524 0.81671816 0.63245939
0.91082211 0.90324498 0.77103666
0.00064884 0.87537016 0.79227774
0.01720938 0.80515787 0.86090145
0.82041435 0.32222997 0.33173952
0.72701979 0.42673628 0.44215761
0.78096937 0.68787979 0.28530613
0.87152790 0.58207675 0.17481063
0.18535245 0.23961633 0.17888643
0.02045593 0.24095498 0.16081122
0.00696034 0.55242703 0.24507846
0.17014875 0.55132015 0.26372076
0.38019532 0.69924485 0.11723295
0.30781625 0.60099716 0.23493721
0.38001841 0.32987488 0.07904342
0.45377994 0.42967435 0.96301011
0.64572912 0.86752473 0.10391346
0.49844144 0.80772149 0.03829600
0.61891706 0.51617085 0.98378501
0.76762608 0.57595306 0.04657600
0.38917185 0.43974778 0.35666484
0.28566459 0.39422358 0.39515377
0.28930621 0.51638491 0.35235659
0.40923395 0.28897979 0.25854590
0.32584441 0.24503975 0.17752701
0.30618148 0.24471682 0.29878780
0.80178618 0.76020913 0.92553461
0.62727311 0.75381456 0.81738970
0.57097513 0.62522039 0.69949955
0.80369323 0.86752147 0.61370125
0.89470700 0.95672966 0.71650822
0.05576257 0.90647412 0.75513595
0.12289713 0.64378042 -0.00296629
0.78063631 0.75003347 0.10621492
0.90979712 0.38645504 0.19344131
0.46924837 0.62604877 0.97084664
0.17998877 0.76520686 0.86923678
0.94696370 0.64626756 0.03682138
0.75102191 0.88310569 0.79163827
0.60245389 0.52901098 0.50459258
0.81419234 0.76140758 0.43428206
0.07770466 0.68921282 0.96268865
0.71479158 0.62846609 0.44581699
No title
1
14.871033 0.254885 -0.197839
0.251341 13.364672 -0.209767
-0.193107 -0.204292 14.295295
C H O N
43 30 7 2
Direct configuration= 114
0.75110009 0.56512281 0.37316076
0.75923562 0.46102051 0.38427725
0.81106477 0.40240205 0.32241874
0.78865829 0.60796672 0.29547873
0.84044986 0.54886706 0.23392732
0.85471952 0.44718436 0.25002845
0.00270737 0.39563352 0.20228962
0.05443481 0.30910245 0.18173196
0.14786288 0.30938662 0.19292786
0.04551991 0.48348368 0.23018016
0.13902425 0.48195978 0.24091286
0.19266312 0.39492701 0.22482412
0.29553996 0.39435931 0.24336532
0.33886305 0.45618599 0.16830899
0.33898023 0.56135092 0.17577619
0.37970516 0.61797841 0.10951028
0.37902294 0.41080083 0.08919847
0.42078287 0.46641557 0.02260380
0.42285562 0.57005880 0.03422854
0.55145379 0.65922063 0.00754743
0.55787500 0.75805743 0.04068701
0.64032915 0.79081259 0.07692186
0.62632765 0.59309131 0.00965006
0.70852224 0.62650847 0.04487707
0.71559681 0.72513505 0.07888806
0.31614374 0.43947346 0.34241856
0.33646041 0.28686120 0.24374338
0.10329928 0.75523509 0.89397060
0.98542206 0.69305654 -0.02173763
0.94656449 0.76586369 0.90939132
0.85716085 0.79185389 0.88920402
0.84060614 0.85985909 0.81750139
0.71768787 0.81682923 0.72256693
0.65162022 0.75050026 0.74610945
0.62047469 0.67879833 0.68017854
0.65789899 0.67554119 0.59184764
0.65054516 0.60101948 0.51252521
0.75728881 0.71774224 0.47581646
0.72178390 0.74415176 0.56957684
0.75219112 0.81670873 0.63246779
0.91086497 0.90329128 0.77113442
0.00072338 0.87547052 0.79230708
0.01727362 0.80522019 0.86093404
0.82069447 0.32222555 0.33184065
0.72731913 0.42671973 0.44238853
0.78074031 0.68793439 0.28515204
0.87130784 0.58200102 0.17468466
0.18539208 0.23951715 0.17888330
0.02049037 0.24087275 0.16076739
0.00688480 0.55235971 0.24526140
0.17004750 0.55126514 0.26394410
0.38023051 0.69926634 0.11728720
0.30782161 0.60101760 0.23495701
0.37979710 0.32982325 0.07890281
0.45359344 0.42963793 0.96291353
0.64562816 0.86767564 0.10386452
0.49839820 0.80788458 0.03819814
0.61892467 0.51617042 0.98372250
0.76751883 0.57598184 0.04652885
0.38921158 0.43966554 0.35650652
0.28575030 0.39413768 0.39516270
0.28937814 0.51637418 0.35238590
0.40925487 0.28897003 0.25849048
0.32589309 0.24492924 0.17757593
0.30625127 0.24457587 0.29881777
0.80197121 0.76000947 0.92552548
0.62720702 0.75369306 0.81738562
0.57093633 0.62517788 0.69935463
0.80380974 0.86752257 0.61376331
0.89474268 0.95686120 0.71661314
0.05578809 0.90657906 0.75518807
0.12299411 0.64386332 -0.00298083
0.78051484 0.75012062 0.10621266
0.90972184 0.38646738 0.19331601
0.46923658 0.62606004 0.97084691
0.18000438 0.76547306 0.86930666
0.94699173 0.64628238 0.03678975
0.75101392 0.88297549 0.79168460
0.60239267 0.52911543 0.50454653
0.81436106 0.76135489 0.43429871
0.07776205 0.68928094 0.96269082
0.71476517 0.62857168 0.44580214
No title
1
14.869429 0.255097 -0.191207
0.251540 13.357939 -0.208850
-0.186681 -0.203272 14.299076
C H O N
43 30 7 2
Direct configuration= 115
0.75101464 0.56513918 0.37309735
0.75946948 0.46104230 0.38445320
0.81130311 0.40247126 0.32259431
0.78833779 0.60800389 0.29536035
0.84013045 0.54891207 0.23382022
0.85465244 0.44720362 0.25000650
0.00263812 0.39548828 0.20232501
0.05446514 0.30896263 0.18173066
0.14785996 0.30919962 0.19294846
0.04546264 0.48339092 0.23043606
0.13895547 0.48181181 0.24121448
0.19259873 0.39479249 0.22499708
0.29557394 0.39424811 0.24342972
0.33884457 0.45613017 0.16826951
0.33900917 0.56133916 0.17582891
0.37970409 0.61800388 0.10959839
0.37880146 0.41073382 0.08911326
0.42057556 0.46634176 0.02252504
0.42281978 0.57006228 0.03428412
0.55141455 0.65921816 0.00755770
0.55770896 0.75823511 0.04057954
0.64023104 0.79097046 0.07686250
0.62627037 0.59309036 0.00954678
0.70835369 0.62661013 0.04488753
0.71546800 0.72521812 0.07886126
0.31618382 0.43942197 0.34242084
0.33650204 0.28669696 0.24377720
0.10334962 0.75555753 0.89405740
0.98558654 0.69312894 -0.02180692
0.94671181 0.76597510 0.90940452
0.85729050 0.79172410 0.88912888
0.84068169 0.85979003 0.81754670
0.71775564 0.81678552 0.72251320
0.65156079 0.75042068 0.74601229
0.62046524 0.67885999 0.68008696
0.65793729 0.67560538 0.59182031
0.65048547 0.60116398 0.51246099
0.75742230 0.71780284 0.47580918
0.72192205 0.74429462 0.56947645
0.75231647 0.81664914 0.63251698
0.91095594 0.90332273 0.77133483
0.00080410 0.87564082 0.79238373
0.01734794 0.80526659 0.86098125
0.82116943 0.32215211 0.33201209
0.72784952 0.42670736 0.44275898
0.78030702 0.68803506 0.28488081
0.87095383 0.58190662 0.17442510
0.18550396 0.23928122 0.17885236
0.02053459 0.24068687 0.16063568
0.00675218 0.55226589 0.24558970
0.16988899 0.55123554 0.26435557
0.38029583 0.69933681 0.11739622
0.30785865 0.60104372 0.23498471
0.37941314 0.32968412 0.07866685
0.45326589 0.42955483 0.96273245
0.64545164 0.86793647 0.10376051
0.49828434 0.80821335 0.03801909
0.61897125 0.51617568 0.98362476
0.76735761 0.57597924 0.04640874
0.38925792 0.43953434 0.35621722
0.28588870 0.39397202 0.39519173
0.28949098 0.51637738 0.35244348
0.40928547 0.28893563 0.25837595
0.32599666 0.24471270 0.17761220
0.30637347 0.24433271 0.29890170
0.80226788 0.75965654 0.92551397
0.62705814 0.75347395 0.81738173
0.57089873 0.62514888 0.69908163
0.80401921 0.86755454 0.61383186
0.89478983 0.95710787 0.71685780
0.05584690 0.90677512 0.75525965
0.12313357 0.64400359 -0.00294456
0.78026489 0.75029436 0.10622408
0.90968472 0.38645992 0.19306842
0.46913683 0.62604634 0.97087190
0.18028951 0.76601189 0.86930546
0.94705574 0.64630487 0.03669965
0.75100137 0.88273644 0.79178251
0.60228544 0.52924259 0.50445013
0.81462177 0.76121956 0.43434619
0.07790239 0.68940090 0.96271595
0.71469592 0.62869854 0.44571212
No title
1
14.868114 0.255272 -0.185766
0.251702 13.352415 -0.208097
-0.181409 -0.202435 14.302179
C H O N
43 30 7 2
Direct configuration= 116
0.75094454 0.56515261 0.37304537
0.75966132 0.46106017 0.38459743
0.81149862 0.40252805 0.32273823
0.78807485 0.60803441 0.29526337
0.83986840 0.54894904 0.23373250
0.85459741 0.44721944 0.24998851
0.00258129 0.39536906 0.20235408
0.05449002 0.30884786 0.18172959
0.14785755 0.30904611 0.19296537
0.04541556 0.48331477 0.23064600
0.13889893 0.48169033 0.24146191
0.19254583 0.39468205 0.22513898
0.29560179 0.39415681 0.24348254
0.33882941 0.45608435 0.16823714
0.33903291 0.56132950 0.17587213
0.37970318 0.61802479 0.10967066
0.37861975 0.41067882 0.08904345
0.42040548 0.46628118 0.02246052
0.42279036 0.57006513 0.03432971
0.55138235 0.65921613 0.00756613
0.55757275 0.75838098 0.04049144
0.64015056 0.79110006 0.07681384
0.62622341 0.59308960 0.00946207
0.70821538 0.62669358 0.04489617
0.71536231 0.72528632 0.07883932
0.31621672 0.43937969 0.34242269
0.33653619 0.28656212 0.24380494
0.10339088 0.75582221 0.89412856
0.98572153 0.69318836 -0.02186382
0.94683268 0.76606655 0.90941529
0.85739691 0.79161757 0.88906721
0.84074368 0.85973334 0.81758383
0.71781127 0.81674964 0.72246911
0.65151206 0.75035537 0.74593263
0.62045752 0.67891061 0.68001184
0.65796873 0.67565807 0.59179787
0.65043652 0.60128261 0.51240833
0.75753184 0.71785258 0.47580316
0.72203545 0.74441190 0.56939403
0.75241931 0.81660022 0.63255728
0.91103051 0.90334853 0.77149918
0.00087030 0.87578061 0.79244656
0.01740891 0.80530468 0.86101994
0.82155911 0.32209180 0.33215254
0.72828460 0.42669717 0.44306264
0.77995158 0.68811771 0.28465848
0.87066344 0.58182915 0.17421234
0.18559578 0.23908754 0.17882694
0.02057093 0.24053429 0.16052763
0.00664325 0.55218885 0.24585905
0.16975878 0.55121122 0.26469315
0.38034939 0.69939466 0.11748562
0.30788903 0.60106516 0.23500742
0.37909817 0.32956993 0.07847346
0.45299718 0.42948663 0.96258405
0.64530682 0.86815059 0.10367524
0.49819096 0.80848325 0.03787224
0.61900951 0.51618001 0.98354457
0.76722536 0.57597713 0.04631029
0.38929605 0.43942666 0.35597991
0.28600226 0.39383603 0.39521550
0.28958355 0.51638000 0.35249066
0.40931061 0.28890740 0.25828200
0.32608164 0.24453495 0.17764192
0.30647371 0.24413309 0.29897051
0.80251133 0.75936681 0.92550443
0.62693598 0.75329409 0.81737861
0.57086797 0.62512510 0.69885771
0.80419107 0.86758077 0.61388800
0.89482842 0.95731034 0.71705846
0.05589513 0.90693606 0.75531833
0.12324799 0.64411874 -0.00291486
0.78005979 0.75043699 0.10623353
0.90965435 0.38645381 0.19286535
0.46905497 0.62603509 0.97089244
0.18052347 0.76645421 0.86930433
0.94710829 0.64632334 0.03662572
0.75099105 0.88254020 0.79186283
0.60219749 0.52934699 0.50437108
0.81483569 0.76110847 0.43438505
0.07801754 0.68949937 0.96273652
0.71463913 0.62880268 0.44563831
No title
1
14.866416 0.255331 -0.179631
0.251768 13.345738 -0.207025
-0.175454 -0.201231 14.306560
C H O N
43 30 7 2
Direct configuration= 117
0.75086654 0.56515121 0.37303579
0.75987329 0.46114694 0.38479715
0.81174225 0.40251495 0.32291779
0.78777243 0.60809985 0.29516165
0.83959319 0.54894882 0.23361849
0.85455030 0.44723556 0.24990633
0.00249906 0.39526332 0.20238998
0.05447148 0.30869304 0.18173879
0.14791055 0.30885399 0.19302707
0.04529755 0.48313775 0.23089129
0.13883048 0.48156193 0.24178491
0.19255611 0.39449699 0.22528848
0.29558005 0.39405994 0.24353264
0.33879173 0.45604683 0.16822909
0.33905587 0.56129317 0.17590098
0.37974303 0.61805805 0.10975962
0.37840741 0.41056497 0.08893354
0.42023046 0.46628526 0.02240032
0.42275797 0.57004073 0.03435291
0.55124859 0.65930197 0.00757838
0.55750922 0.75852963 0.04039496
0.64001494 0.79124214 0.07672043
0.62612939 0.59308694 0.00933439
0.70811248 0.62675521 0.04488127
0.71522380 0.72545541 0.07883015
0.31623465 0.43931725 0.34238560
0.33654307 0.28643224 0.24382653
0.10360036 0.75611487 0.89420764
0.98580700 0.69319252 -0.02184170
0.94693703 0.76610472 0.90946845
0.85757895 0.79153898 0.88897984
0.84080463 0.85966528 0.81761378
0.71778741 0.81666420 0.72249328
0.65143191 0.75031770 0.74588524
0.62037856 0.67893275 0.67995373
0.65806623 0.67573960 0.59175292
0.65042304 0.60145918 0.51234633
0.75764911 0.71793749 0.47584595
0.72212525 0.74445680 0.56929542
0.75261518 0.81660214 0.63256853
0.91110605 0.90345376 0.77159925
0.00092177 0.87589009 0.79257954
0.01750650 0.80540789 0.86099139
0.82198677 0.32204921 0.33231481
0.72878898 0.42670563 0.44338884
0.77951083 0.68818200 0.28441148
0.87033882 0.58177548 0.17395006
0.18570810 0.23885635 0.17878394
0.02061177 0.24034928 0.16036585
0.00652457 0.55211032 0.24617582
0.16961664 0.55118869 0.26509006
0.38041360 0.69948035 0.11759963
0.30793915 0.60107980 0.23504627
0.37873327 0.32943236 0.07826867
0.45268231 0.42939970 0.96240663
0.64514539 0.86836867 0.10355374
0.49806164 0.80880506 0.03769426
0.61907477 0.51616327 0.98345108
0.76707896 0.57595711 0.04617558
0.38934320 0.43931741 0.35571271
0.28612611 0.39367732 0.39525234
0.28967496 0.51639920 0.35255030
0.40935098 0.28885359 0.25816620
0.32619183 0.24432244 0.17765596
0.30659224 0.24391173 0.29906695
0.80274224 0.75902183 0.92550173
0.62679670 0.75308698 0.81730859
0.57085081 0.62513440 0.69859582
0.80436426 0.86759971 0.61393881
0.89487681 0.95750851 0.71738172
0.05597643 0.90714623 0.75536244
0.12336022 0.64425174 -0.00283437
0.77982914 0.75061537 0.10626501
0.90964741 0.38646777 0.19265674
0.46895115 0.62601771 0.97093066
0.18065140 0.76697850 0.86932530
0.94720168 0.64635599 0.03648727
0.75102123 0.88231985 0.79196616
0.60210324 0.52944728 0.50427593
0.81512102 0.76099412 0.43439515
0.07821787 0.68965431 0.96273820
0.71455495 0.62888479 0.44552264
No title
1
14.864461 0.255398 -0.172566
0.251844 13.338046 -0.205791
-0.168595 -0.199844 14.311607
C H O N
43 30 7 2
Direct configuration= 118
0.75077670 0.56514960 0.37302480
0.76011736 0.46124691 0.38502700
0.81202280 0.40249984 0.32312443
0.78742413 0.60817527 0.29504466
0.83927623 0.54894858 0.23348736
0.85449608 0.44725414 0.24981172
0.00240433 0.39514146 0.20243137
0.05445012 0.30851463 0.18174940
0.14797156 0.30863258 0.19309809
0.04516150 0.48293373 0.23117378
0.13875148 0.48141393 0.24215686
0.19256789 0.39428372 0.22546063
0.29555499 0.39394829 0.24359034
0.33874833 0.45600360 0.16821984
0.33908231 0.56125131 0.17593419
0.37978889 0.61809637 0.10986201
0.37816287 0.41043378 0.08880711
0.42002887 0.46628998 0.02233109
0.42272065 0.57001261 0.03437963
0.55109450 0.65940090 0.00759254
0.55743609 0.75870095 0.04028389
0.63985876 0.79140589 0.07661293
0.62602116 0.59308390 0.00918742
0.70799396 0.62682624 0.04486416
0.71506426 0.72565025 0.07881964
0.31625532 0.43924531 0.34234289
0.33655099 0.28628256 0.24385139
0.10384161 0.75645209 0.89429857
0.98590543 0.69319731 -0.02181628
0.94705721 0.76614869 0.90952961
0.85778868 0.79144843 0.88887916
0.84087483 0.85958686 0.81764824
0.71775990 0.81656574 0.72252113
0.65133960 0.75027429 0.74583073
0.62028763 0.67895826 0.67988686
0.65817856 0.67583356 0.59170110
0.65040755 0.60166265 0.51227493
0.75778417 0.71803533 0.47589514
0.72222874 0.74450854 0.56918182
0.75284079 0.81660435 0.63258139
0.91119302 0.90357500 0.77171442
0.00098100 0.87601623 0.79273262
0.01761892 0.80552682 0.86095846
0.82247932 0.32200011 0.33250144
0.72936982 0.42671533 0.44376419
0.77900324 0.68825611 0.28412729
0.86996502 0.58171366 0.17364823
0.18583751 0.23858995 0.17873440
0.02065889 0.24013611 0.16017958
0.00638771 0.55201979 0.24654062
0.16945272 0.55116269 0.26554713
0.38048750 0.69957909 0.11773086
0.30799687 0.60109667 0.23509098
0.37831303 0.32927385 0.07803308
0.45231970 0.42929955 0.96220250
0.64495949 0.86861999 0.10341390
0.49791276 0.80917591 0.03748938
0.61914999 0.51614398 0.98334341
0.76691039 0.57593406 0.04602055
0.38939765 0.43919154 0.35540505
0.28626876 0.39349443 0.39529470
0.28978021 0.51642131 0.35261893
0.40939754 0.28879160 0.25803285
0.32631876 0.24407755 0.17767209
0.30672873 0.24365663 0.29917795
0.80300823 0.75862428 0.92549854
0.62663630 0.75284833 0.81722804
0.57083118 0.62514515 0.69829428
0.80456375 0.86762152 0.61399723
0.89493240 0.95773683 0.71775388
0.05607006 0.90738841 0.75541316
0.12348947 0.64440498 -0.00274175
0.77956344 0.75082094 0.10630136
0.90963951 0.38648389 0.19241654
0.46883154 0.62599768 0.97097472
0.18079874 0.76758266 0.86934933
0.94730931 0.64639362 0.03632782
0.75105596 0.88206593 0.79208515
0.60199471 0.52956286 0.50416640
0.81544969 0.76086234 0.43440665
0.07844862 0.68983286 0.96274002
0.71445803 0.62897942 0.44538950
No title
1
14.862339 0.255996 -0.165717
0.252398 13.329370 -0.205856
-0.161913 -0.199820 14.317865
C H O N
43 30 7 2
Direct configuration= 119
0.75069479 0.56522087 0.37307179
0.76040912 0.46128476 0.38525379
0.81232881 0.40244148 0.32331257
0.78711219 0.60822660 0.29488943
0.83901579 0.54895370 0.23327312
0.85445123 0.44720495 0.24968769
0.00236293 0.39498913 0.20246177
0.05443277 0.30830299 0.18177468
0.14802988 0.30837440 0.19320464
0.04501542 0.48272363 0.23149453
0.13864736 0.48124857 0.24255732
0.19260598 0.39409181 0.22563756
0.29546380 0.39384410 0.24362272
0.33866504 0.45588702 0.16823919
0.33909445 0.56122712 0.17597813
0.37989488 0.61813560 0.10994218
0.37790996 0.41029252 0.08867314
0.41985639 0.46625956 0.02223397
0.42264713 0.57000431 0.03441201
0.55087689 0.65953822 0.00755977
0.55731407 0.75890757 0.04015724
0.63966862 0.79163757 0.07648265
0.62590549 0.59321721 0.00908983
0.70787708 0.62688279 0.04477988
0.71486700 0.72582259 0.07879125
0.31625865 0.43914754 0.34227667
0.33655849 0.28612033 0.24384379
0.10414190 0.75676413 0.89436964
0.98609089 0.69332135 -0.02191641
0.94723145 0.76611738 0.90958038
0.85793138 0.79130730 0.88888606
0.84094545 0.85953846 0.81760691
0.71775619 0.81646717 0.72256029
0.65117883 0.75023494 0.74584491
0.62023064 0.67901355 0.67973781
0.65826728 0.67591229 0.59167531
0.65034928 0.60172499 0.51215932
0.75794748 0.71808885 0.47583869
0.72234430 0.74458403 0.56922176
0.75303072 0.81658350 0.63259416
0.91122588 0.90372818 0.77179469
0.00108240 0.87619790 0.79281525
0.01779385 0.80563197 0.86097976
0.82294427 0.32199428 0.33270945
0.72993933 0.42675683 0.44413803
0.77844808 0.68829642 0.28386013
0.86957529 0.58168575 0.17336467
0.18594939 0.23834974 0.17867625
0.02070893 0.23992984 0.15995420
0.00627484 0.55189049 0.24690568
0.16928330 0.55108780 0.26600556
0.38056822 0.69968319 0.11787339
0.30807267 0.60108826 0.23515542
0.37788825 0.32911330 0.07781917
0.45193549 0.42922589 0.96202008
0.64477476 0.86881403 0.10323318
0.49782890 0.80947794 0.03727883
0.61923127 0.51606607 0.98321634
0.76676564 0.57589542 0.04585218
0.38946056 0.43908657 0.35511364
0.28641054 0.39333144 0.39533079
0.28986570 0.51643874 0.35268791
0.40944567 0.28870271 0.25789309
0.32645289 0.24384790 0.17770488
0.30687267 0.24342670 0.29928701
0.80325132 0.75825466 0.92545882
0.62648246 0.75262377 0.81706846
0.57075593 0.62512650 0.69802552
0.80476898 0.86765621 0.61403849
0.89498617 0.95798441 0.71816546
0.05614907 0.90763662 0.75547776
0.12361406 0.64456611 -0.00259967
0.77934763 0.75105896 0.10637857
0.90957656 0.38656387 0.19223228
0.46874851 0.62603398 0.97100012
0.18087614 0.76821259 0.86939153
0.94733128 0.64626055 0.03632263
0.75112155 0.88182812 0.79220975
0.60196507 0.52978752 0.50409174
0.81579740 0.76073991 0.43441053
0.07871436 0.69005877 0.96274246
0.71435102 0.62913730 0.44531288
No title
1
14.861179 0.256323 -0.161973
0.252701 13.324626 -0.205892
-0.158260 -0.199808 14.321286
C H O N
43 30 7 2
Direct configuration= 120
0.75064999 0.56525987 0.37309750
0.76056862 0.46130545 0.38537766
0.81249611 0.40240954 0.32341532
0.78694164 0.60825469 0.29480467
0.83887342 0.54895650 0.23315610
0.85442673 0.44717804 0.24961992
0.00234029 0.39490579 0.20247840
0.05442328 0.30818719 0.18178850
0.14806176 0.30823314 0.19326285
0.04493546 0.48260868 0.23166987
0.13859033 0.48115810 0.24277622
0.19262677 0.39398681 0.22573425
0.29541392 0.39378709 0.24364044
0.33861949 0.45582323 0.16824979
0.33910108 0.56121389 0.17600215
0.37995282 0.61815706 0.10998596
0.37777169 0.41021524 0.08859999
0.41976210 0.46624292 0.02218093
0.42260691 0.56999977 0.03442973
0.55075790 0.65961336 0.00754192
0.55724737 0.75902062 0.04008805
0.63956466 0.79176434 0.07641150
0.62584226 0.59329015 0.00903652
0.70781319 0.62691374 0.04473385
0.71475913 0.72591689 0.07877578
0.31626049 0.43909405 0.34224047
0.33656260 0.28603156 0.24383962
0.10430609 0.75693485 0.89440842
0.98619233 0.69338922 -0.02197119
0.94732672 0.76610025 0.90960809
0.85800942 0.79123008 0.88888980
0.84098408 0.85951197 0.81758431
0.71775415 0.81641324 0.72258170
0.65109090 0.75021342 0.74585270
0.62019952 0.67904381 0.67965636
0.65831580 0.67595536 0.59166119
0.65031743 0.60175910 0.51209615
0.75803681 0.71811813 0.47580780
0.72240748 0.74462533 0.56924356
0.75313458 0.81657208 0.63260108
0.91124383 0.90381199 0.77183855
0.00113783 0.87629730 0.79286039
0.01788951 0.80568950 0.86099136
0.82319848 0.32199108 0.33282301
0.73025068 0.42677952 0.44434220
0.77814456 0.68831849 0.28371426
0.86936224 0.58167050 0.17320979
0.18601060 0.23821830 0.17864444
0.02073635 0.23981698 0.15983100
0.00621303 0.55181975 0.24710524
0.16919054 0.55104683 0.26625615
0.38061232 0.69974015 0.11795127
0.30811410 0.60108366 0.23519062
0.37765601 0.32902547 0.07770237
0.45172543 0.42918561 0.96192047
0.64467378 0.86892021 0.10313445
0.49778308 0.80964320 0.03716378
0.61927575 0.51602344 0.98314686
0.76668653 0.57587428 0.04576019
0.38949504 0.43902913 0.35495435
0.28648806 0.39324226 0.39535047
0.28991243 0.51644827 0.35272559
0.40947203 0.28865407 0.25781670
0.32652624 0.24372224 0.17772276
0.30695137 0.24330088 0.29934658
0.80338427 0.75805242 0.92543705
0.62639838 0.75250091 0.81698129
0.57071485 0.62511629 0.69787866
0.80488121 0.86767518 0.61406098
0.89501546 0.95811987 0.71839040
0.05619225 0.90777243 0.75551305
0.12368216 0.64465427 -0.00252205
0.77922958 0.75118920 0.10642082
0.90954217 0.38660763 0.19213159
0.46870310 0.62605384 0.97101403
0.18091843 0.76855725 0.86941458
0.94734330 0.64618774 0.03631978
0.75115739 0.88169800 0.79227784
0.60194888 0.52991044 0.50405094
0.81598755 0.76067291 0.43441256
0.07885968 0.69018236 0.96274372
0.71429251 0.62922369 0.44527103
No title
1
14.859299 0.257915 -0.154943
0.254169 13.314054 -0.207003
-0.151389 -0.200879 14.328548
C H O N
43 30 7 2
Direct configuration= 121
0.75062347 0.56537662 0.37312646
0.76093880 0.46126859 0.38556877
0.81281237 0.40242246 0.32355180
0.78667138 0.60821815 0.29460879
0.83863137 0.54894996 0.23290109
0.85435270 0.44711231 0.24952906
0.00233564 0.39469239 0.20250605
0.05447308 0.30792827 0.18182459
0.14806123 0.30797780 0.19339964
0.04486489 0.48243993 0.23204953
0.13845636 0.48093604 0.24319256
0.19257748 0.39384508 0.22592223
0.29531067 0.39366081 0.24365593
0.33849779 0.45565659 0.16825228
0.33912034 0.56119121 0.17604459
0.38007328 0.61819018 0.11009314
0.37750850 0.41012137 0.08847622
0.41957042 0.46612184 0.02208911
0.42251694 0.57002090 0.03444206
0.55056958 0.65977491 0.00745176
0.55701376 0.75927258 0.03992951
0.63937062 0.79200581 0.07625013
0.62571106 0.59347327 0.00896878
0.70767901 0.62702687 0.04459241
0.71456290 0.72602783 0.07872445
0.31626730 0.43898896 0.34218199
0.33659938 0.28583949 0.24382466
0.10438403 0.75721947 0.89448908
0.98633781 0.69338233 -0.02191029
0.94753862 0.76605788 0.90957283
0.85811726 0.79106597 0.88895418
0.84106942 0.85940365 0.81755942
0.71781610 0.81631943 0.72260684
0.65093638 0.75018385 0.74577755
0.62016155 0.67912529 0.67946502
0.65833988 0.67598087 0.59163158
0.65034699 0.60194153 0.51202725
0.75820364 0.71812883 0.47569877
0.72258265 0.74470219 0.56935056
0.75324623 0.81654719 0.63272110
0.91129577 0.90390020 0.77198657
0.00125537 0.87652695 0.79287462
0.01810743 0.80581487 0.86106725
0.82364997 0.32197678 0.33307486
0.73080696 0.42684850 0.44474008
0.77752757 0.68833955 0.28345865
0.86895620 0.58169002 0.17292332
0.18610133 0.23799810 0.17857896
0.02078841 0.23961676 0.15956455
0.00611469 0.55163479 0.24747637
0.16900311 0.55088964 0.26672111
0.38070996 0.69983757 0.11810456
0.30820282 0.60105512 0.23529260
0.37722217 0.32884944 0.07750220
0.45132601 0.42914040 0.96174173
0.64448593 0.86912020 0.10292525
0.49776295 0.80987782 0.03694614
0.61935173 0.51598302 0.98302453
0.76656678 0.57582778 0.04558027
0.38954984 0.43894363 0.35467471
0.28663303 0.39311114 0.39536454
0.28997767 0.51643043 0.35278902
0.40950613 0.28854071 0.25766829
0.32665638 0.24350407 0.17777916
0.30710941 0.24310863 0.29942580
0.80357610 0.75770612 0.92536583
0.62621150 0.75230007 0.81683905
0.57056865 0.62506182 0.69764242
0.80509678 0.86771928 0.61409307
0.89504382 0.95848194 0.71874804
0.05626434 0.90804153 0.75559347
0.12380310 0.64484477 -0.00233804
0.77903417 0.75145024 0.10652660
0.90944886 0.38670371 0.19196774
0.46862516 0.62615502 0.97099308
0.18121642 0.76924703 0.86941089
0.94747634 0.64609043 0.03620546
0.75122073 0.88148433 0.79238780
0.60184748 0.53002278 0.50398299
0.81635544 0.76055250 0.43440391
0.07912355 0.69041719 0.96280933
0.71421537 0.62947853 0.44523883
No title
1
14.858406 0.258671 -0.151605
0.254867 13.309034 -0.207531
-0.148126 -0.201388 14.331996
C H O N
43 30 7 2
Direct configuration= 122
0.75061087 0.56543211 0.37314022
0.76111457 0.46125106 0.38565939
0.81296255 0.40242859 0.32361650
0.78654307 0.60820079 0.29451588
0.83851647 0.54894685 0.23278010
0.85431756 0.44708107 0.24948596
0.00233344 0.39459098 0.20251916
0.05449674 0.30780521 0.18184170
0.14806097 0.30785646 0.19346455
0.04483130 0.48235975 0.23222973
0.13839265 0.48083054 0.24339019
0.19255404 0.39377773 0.22601146
0.29526163 0.39360080 0.24366331
0.33844000 0.45557740 0.16825348
0.33912949 0.56118044 0.17606473
0.38013046 0.61820591 0.11014399
0.37738354 0.41007678 0.08841753
0.41947941 0.46606430 0.02204557
0.42247421 0.57003094 0.03444793
0.55048015 0.65985170 0.00740901
0.55690284 0.75939233 0.03985433
0.63927849 0.79212057 0.07617359
0.62564875 0.59356031 0.00893666
0.70761531 0.62708064 0.04452531
0.71446971 0.72608056 0.07870014
0.31627055 0.43893901 0.34215422
0.33661685 0.28574821 0.24381753
0.10442102 0.75735473 0.89452737
0.98640689 0.69337905 -0.02188142
0.94763927 0.76603773 0.90955604
0.85816848 0.79098797 0.88898470
0.84110996 0.85935217 0.81754759
0.71784551 0.81627485 0.72261876
0.65086301 0.75016981 0.74574192
0.62014356 0.67916401 0.67937422
0.65835133 0.67599299 0.59161752
0.65036103 0.60202822 0.51199455
0.75828289 0.71813390 0.47564698
0.72266582 0.74473872 0.56940131
0.75329923 0.81653536 0.63277803
0.91132040 0.90394213 0.77205681
0.00131118 0.87663609 0.79288135
0.01821090 0.80587443 0.86110322
0.82386434 0.32196996 0.33319429
0.73107107 0.42688126 0.44492879
0.77723460 0.68834959 0.28333747
0.86876342 0.58169931 0.17278744
0.18614445 0.23789343 0.17854785
0.02081321 0.23952159 0.15943807
0.00606791 0.55154691 0.24765254
0.16891400 0.55081497 0.26694182
0.38075629 0.69988387 0.11817730
0.30824494 0.60104155 0.23534098
0.37701618 0.32876580 0.07740729
0.45113636 0.42911893 0.96165698
0.64439675 0.86921525 0.10282601
0.49775343 0.80998932 0.03684286
0.61938784 0.51596380 0.98296644
0.76650995 0.57580568 0.04549490
0.38957594 0.43890298 0.35454196
0.28670189 0.39304882 0.39537118
0.29000864 0.51642194 0.35281911
0.40952236 0.28848683 0.25759784
0.32671819 0.24340038 0.17780589
0.30718445 0.24301725 0.29946336
0.80366723 0.75754153 0.92533197
0.62612279 0.75220464 0.81677158
0.57049927 0.62503594 0.69753032
0.80519915 0.86774023 0.61410825
0.89505719 0.95865402 0.71891779
0.05629855 0.90816942 0.75563164
0.12386049 0.64493531 -0.00225072
0.77894133 0.75157431 0.10657687
0.90940458 0.38674937 0.19189001
0.46858814 0.62620312 0.97098316
0.18135791 0.76957482 0.86940909
0.94753956 0.64604417 0.03615116
0.75125080 0.88138279 0.79243997
0.60179933 0.53007617 0.50395077
0.81653017 0.76049525 0.43439972
0.07924883 0.69052877 0.96284042
0.71417872 0.62959964 0.44522357
No title
1
14.855835 0.260401 -0.144407
0.256490 13.295790 -0.208763
-0.141074 -0.202533 14.340571
C H O N
43 30 7 2
Direct configuration= 123
0.75067158 0.56546222 0.37310570
0.76149901 0.46129365 0.38586694
0.81328104 0.40244858 0.32371094
0.78628035 0.60814389 0.29431695
0.83826219 0.54888238 0.23254782
0.85423903 0.44710678 0.24940043
0.00233222 0.39439655 0.20259117
0.05455684 0.30749689 0.18187061
0.14805359 0.30764078 0.19363094
0.04479579 0.48213437 0.23262470
0.13826773 0.48061789 0.24382672
0.19238790 0.39359785 0.22620268
0.29518692 0.39343404 0.24368059
0.33828778 0.45546846 0.16822140
0.33916329 0.56110543 0.17611439
0.38022193 0.61823295 0.11030378
0.37711076 0.40996899 0.08831504
0.41923767 0.46596346 0.02199390
0.42240245 0.57002214 0.03439887
0.55035786 0.66004912 0.00727028
0.55672571 0.75962865 0.03968875
0.63905213 0.79227524 0.07595247
0.62550940 0.59365413 0.00884777
0.70750505 0.62720624 0.04434156
0.71432534 0.72622517 0.07865792
0.31630267 0.43884388 0.34210173
0.33667634 0.28554236 0.24381887
0.10472390 0.75766738 0.89451735
0.98659309 0.69332889 -0.02179607
0.94778688 0.76599388 0.90946240
0.85833953 0.79085982 0.88899293
0.84118795 0.85909852 0.81765658
0.71792247 0.81617455 0.72270317
0.65078550 0.75018612 0.74553858
0.61999812 0.67916552 0.67924544
0.65839843 0.67604404 0.59150845
0.65034471 0.60220407 0.51200146
0.75846031 0.71821193 0.47563702
0.72286920 0.74470708 0.56944146
0.75343394 0.81659682 0.63295817
0.91143125 0.90401348 0.77222090
0.00141651 0.87680454 0.79294828
0.01838710 0.80610111 0.86113607
0.82431367 0.32194573 0.33348622
0.73162811 0.42697402 0.44533414
0.77656561 0.68832994 0.28308647
0.86835331 0.58176945 0.17247010
0.18621528 0.23768777 0.17847931
0.02087440 0.23932090 0.15913480
0.00595925 0.55134342 0.24804388
0.16871042 0.55056845 0.26741859
0.38087802 0.69997246 0.11834347
0.30834409 0.60100125 0.23548562
0.37657568 0.32859289 0.07721640
0.45074415 0.42907152 0.96144347
0.64420763 0.86949502 0.10261099
0.49767714 0.81025624 0.03661230
0.61944633 0.51606121 0.98287746
0.76638071 0.57578373 0.04530215
0.38961033 0.43883353 0.35427116
0.28684528 0.39294368 0.39536241
0.29004829 0.51636406 0.35287274
0.40955216 0.28835720 0.25744377
0.32683155 0.24317090 0.17786577
0.30735363 0.24285751 0.29950093
0.80376585 0.75719802 0.92526025
0.62589187 0.75203544 0.81666874
0.57033137 0.62500785 0.69730426
0.80537496 0.86774439 0.61416558
0.89506169 0.95910792 0.71922869
0.05639893 0.90849192 0.75570093
0.12400850 0.64516859 -0.00204050
0.77870120 0.75182321 0.10667618
0.90936908 0.38677422 0.19169841
0.46846147 0.62632887 0.97091494
0.18150648 0.77024656 0.86949194
0.94774974 0.64591983 0.03600922
0.75130683 0.88120060 0.79252511
0.60171819 0.53019297 0.50388831
0.81689231 0.76035281 0.43437764
0.07945453 0.69075140 0.96299945
0.71416681 0.62987677 0.44515067
No title
1
14.853260 0.262135 -0.137197
0.258116 13.282522 -0.209996
-0.134010 -0.203681 14.349161
C H O N
43 30 7 2
Direct configuration= 124
0.75073244 0.56549240 0.37307111
0.76188411 0.46133632 0.38607455
0.81360012 0.40246859 0.32380535
0.78601721 0.60808686 0.29411792
0.83800752 0.54881773 0.23231536
0.85416037 0.44713257 0.24931483
0.00233100 0.39420158 0.20266325
0.05461709 0.30718769 0.18189950
0.14804615 0.30742450 0.19379752
0.04476004 0.48190838 0.23302015
0.13814237 0.48040470 0.24426382
0.19222135 0.39341751 0.22639421
0.29511207 0.39326682 0.24369792
0.33813529 0.45535923 0.16818934
0.33919714 0.56103021 0.17616409
0.38031350 0.61826007 0.11046373
0.37683751 0.40986092 0.08821254
0.41899548 0.46586236 0.02194228
0.42233058 0.57001331 0.03434979
0.55023537 0.66024710 0.00713147
0.55654827 0.75986565 0.03952307
0.63882542 0.79243037 0.07573120
0.62536980 0.59374824 0.00875886
0.70739465 0.62733220 0.04415764
0.71418069 0.72637020 0.07861573
0.31633489 0.43874846 0.34204916
0.33673597 0.28533591 0.24382017
0.10502736 0.75798088 0.89450719
0.98677962 0.69327857 -0.02171071
0.94793485 0.76594988 0.90936857
0.85851094 0.79073127 0.88900107
0.84126609 0.85884415 0.81776564
0.71799955 0.81607397 0.72278763
0.65070794 0.75020246 0.74533503
0.61985246 0.67916705 0.67911658
0.65844567 0.67609522 0.59139923
0.65032832 0.60238041 0.51200841
0.75863808 0.71829016 0.47562696
0.72307296 0.74467532 0.56948155
0.75356883 0.81665846 0.63313846
0.91154223 0.90408503 0.77238514
0.00152200 0.87697345 0.79301525
0.01856360 0.80632841 0.86116889
0.82476376 0.32192139 0.33377828
0.73218606 0.42706700 0.44573971
0.77589541 0.68831031 0.28283549
0.86794253 0.58183981 0.17215259
0.18628631 0.23748152 0.17841063
0.02093588 0.23911961 0.15883111
0.00585020 0.55113939 0.24843573
0.16850623 0.55032131 0.26789601
0.38099990 0.70006129 0.11850980
0.30844338 0.60096084 0.23563038
0.37613441 0.32841954 0.07702548
0.45035126 0.42902402 0.96122990
0.64401820 0.86977559 0.10239583
0.49760077 0.81052389 0.03638153
0.61950497 0.51615889 0.98278835
0.76625131 0.57576172 0.04510923
0.38964493 0.43876386 0.35400000
0.28698897 0.39283822 0.39535355
0.29008800 0.51630601 0.35292640
0.40958210 0.28822719 0.25728948
0.32694515 0.24294076 0.17792564
0.30752316 0.24269730 0.29953845
0.80386475 0.75685352 0.92518836
0.62566056 0.75186579 0.81656587
0.57016325 0.62497968 0.69707800
0.80555110 0.86774855 0.61422290
0.89506599 0.95956314 0.71954001
0.05649943 0.90881532 0.75577029
0.12415667 0.64540254 -0.00183007
0.77846050 0.75207285 0.10677577
0.90933361 0.38679913 0.19150659
0.46833456 0.62645498 0.97084671
0.18165522 0.77092018 0.86957488
0.94796042 0.64579510 0.03586699
0.75136296 0.88101789 0.79261031
0.60163690 0.53031009 0.50382582
0.81725521 0.76020991 0.43435534
0.07966053 0.69097465 0.96315860
0.71415487 0.63015468 0.44507771
No title
1
14.851735 0.263483 -0.130960
0.259396 13.271406 -0.210754
-0.127905 -0.204336 14.357014
C H O N
43 30 7 2
Direct configuration= 125
0.75081030 0.56550792 0.37304019
0.76219064 0.46140472 0.38628352
0.81384120 0.40245105 0.32390441
0.78578045 0.60808052 0.29396356
0.83778204 0.54882012 0.23210175
0.85414954 0.44713231 0.24921456
0.00232242 0.39403235 0.20275608
0.05461425 0.30695985 0.18191983
0.14804362 0.30720515 0.19391558
0.04468465 0.48169364 0.23333941
0.13805006 0.48023523 0.24463075
0.19212197 0.39322247 0.22658354
0.29505512 0.39312243 0.24372391
0.33799221 0.45528158 0.16814918
0.33921801 0.56099000 0.17624969
0.38038596 0.61825130 0.11057068
0.37660029 0.40972950 0.08815075
0.41878739 0.46581786 0.02186912
0.42226388 0.57002405 0.03432259
0.55015004 0.66037021 0.00697760
0.55646221 0.76003189 0.03937233
0.63867558 0.79257974 0.07556575
0.62529337 0.59382312 0.00867795
0.70732128 0.62741346 0.04399446
0.71406390 0.72652663 0.07856615
0.31637084 0.43866890 0.34198423
0.33678690 0.28517728 0.24381038
0.10520695 0.75824502 0.89454560
0.98702733 0.69335851 -0.02181783
0.94809645 0.76589656 0.90931169
0.85860376 0.79056600 0.88901645
0.84134854 0.85866942 0.81784384
0.71809693 0.81602884 0.72286538
0.65061133 0.75018464 0.74523961
0.61972197 0.67915165 0.67898507
0.65847355 0.67616441 0.59134834
0.65026863 0.60244947 0.51198301
0.75881308 0.71840143 0.47568106
0.72327413 0.74467814 0.56952788
0.75369101 0.81667853 0.63321856
0.91158428 0.90418379 0.77248239
0.00162718 0.87711837 0.79308027
0.01867750 0.80648830 0.86120712
0.82514443 0.32190403 0.33403122
0.73266593 0.42716682 0.44605453
0.77531899 0.68826483 0.28262423
0.86759183 0.58190201 0.17188979
0.18633848 0.23732003 0.17835842
0.02099162 0.23892809 0.15855662
0.00574601 0.55097155 0.24877951
0.16835202 0.55010926 0.26831825
0.38111701 0.70013855 0.11866374
0.30853936 0.60091180 0.23576203
0.37576724 0.32827738 0.07687053
0.45002587 0.42897595 0.96104350
0.64385149 0.87003057 0.10220427
0.49745603 0.81080785 0.03618211
0.61952522 0.51627466 0.98271764
0.76613082 0.57576624 0.04494024
0.38967552 0.43871408 0.35378379
0.28710117 0.39275211 0.39533994
0.29009632 0.51625556 0.35296358
0.40962981 0.28811487 0.25716430
0.32702220 0.24272630 0.17796831
0.30765695 0.24255930 0.29955962
0.80392718 0.75658761 0.92511524
0.62547684 0.75175382 0.81641826
0.56999805 0.62496814 0.69690212
0.80567707 0.86773694 0.61430294
0.89507259 0.95991804 0.71982802
0.05658899 0.90911200 0.75583018
0.12431246 0.64561652 -0.00163675
0.77822994 0.75226630 0.10684644
0.90936295 0.38676328 0.19132769
0.46819628 0.62655474 0.97077371
0.18183962 0.77145902 0.86965744
0.94809666 0.64557206 0.03586387
0.75141933 0.88087972 0.79270324
0.60161329 0.53045491 0.50378393
0.81754327 0.76009285 0.43434588
0.07983829 0.69118642 0.96329466
0.71416847 0.63031153 0.44496767
No title
1
14.849731 0.265254 -0.122764
0.261078 13.256799 -0.211750
-0.119883 -0.205197 14.367333
C H O N
43 30 7 2
Direct configuration= 126
0.75091264 0.56552832 0.37299953
0.76259334 0.46149465 0.38655777
0.81415795 0.40242795 0.32403436
0.78546940 0.60807221 0.29376099
0.83748586 0.54882328 0.23182136
0.85413535 0.44713196 0.24908289
0.00231112 0.39380980 0.20287799
0.05461054 0.30666023 0.18194651
0.14804026 0.30691669 0.19407061
0.04458544 0.48141127 0.23375869
0.13792858 0.48001240 0.24511268
0.19199129 0.39296602 0.22683222
0.29498029 0.39293256 0.24375806
0.33780422 0.45517948 0.16809651
0.33924540 0.56093713 0.17636208
0.38048112 0.61823975 0.11071109
0.37628861 0.40955671 0.08806973
0.41851398 0.46575935 0.02177315
0.42217626 0.57003819 0.03428691
0.55003797 0.66053212 0.00677560
0.55634917 0.76025051 0.03917442
0.63847875 0.79277617 0.07534856
0.62519297 0.59392161 0.00857175
0.70722494 0.62752033 0.04378021
0.71391043 0.72673236 0.07850111
0.31641811 0.43856426 0.34189893
0.33685386 0.28496865 0.24379748
0.10544290 0.75859235 0.89459596
0.98735291 0.69346360 -0.02195865
0.94830885 0.76582643 0.90923690
0.85872576 0.79034863 0.88903658
0.84145687 0.85843962 0.81794648
0.71822486 0.81596948 0.72296743
0.65048443 0.75016121 0.74511435
0.61955055 0.67913140 0.67881243
0.65851020 0.67625538 0.59128149
0.65019020 0.60254030 0.51194970
0.75904300 0.71854774 0.47575201
0.72353847 0.74468182 0.56958862
0.75385151 0.81670492 0.63332368
0.91163947 0.90431367 0.77261007
0.00176533 0.87730894 0.79316562
0.01882714 0.80669854 0.86125727
0.82564453 0.32188115 0.33436318
0.73329635 0.42729803 0.44646770
0.77456164 0.68820507 0.28234712
0.86713111 0.58198384 0.17154488
0.18640708 0.23710766 0.17828980
0.02106504 0.23867621 0.15819608
0.00560892 0.55075085 0.24923102
0.16814917 0.54983045 0.26887282
0.38127081 0.70024015 0.11886584
0.30866542 0.60084730 0.23593486
0.37528485 0.32809047 0.07666723
0.44959837 0.42891278 0.96079890
0.64363247 0.87036589 0.10195283
0.49726590 0.81118127 0.03592032
0.61955184 0.51642688 0.98262478
0.76597257 0.57577219 0.04471839
0.38971585 0.43864859 0.35349983
0.28724864 0.39263886 0.39532200
0.29010723 0.51618922 0.35301238
0.40969258 0.28796715 0.25699988
0.32712345 0.24244427 0.17802428
0.30783277 0.24237779 0.29958732
0.80400930 0.75623790 0.92501915
0.62523552 0.75160659 0.81622451
0.56978106 0.62495297 0.69667125
0.80584256 0.86772165 0.61440798
0.89508107 0.96038478 0.72020629
0.05670660 0.90950213 0.75590882
0.12451704 0.64589791 -0.00138295
0.77792690 0.75252073 0.10693939
0.90940160 0.38671613 0.19109273
0.46801459 0.62668593 0.97067792
0.18208183 0.77216761 0.86976580
0.94827571 0.64527873 0.03585967
0.75149336 0.88069801 0.79282524
0.60158227 0.53064537 0.50372895
0.81792183 0.75993887 0.43433329
0.08007180 0.69146491 0.96347327
0.71418639 0.63051780 0.44482318
No title
1
14.848275 0.266337 -0.114846
0.262116 13.245211 -0.211475
-0.112163 -0.204746 14.375810
C H O N
43 30 7 2
Direct configuration= 127
0.75099664 0.56559352 0.37300007
0.76294656 0.46154620 0.38678412
0.81440599 0.40240579 0.32416555
0.78519039 0.60808414 0.29359268
0.83721888 0.54889762 0.23156433
0.85417776 0.44706196 0.24895285
0.00228333 0.39358420 0.20300317
0.05457401 0.30643645 0.18196133
0.14800337 0.30663125 0.19416325
0.04445849 0.48118973 0.23411598
0.13780636 0.47978571 0.24550522
0.19197533 0.39270420 0.22709153
0.29492084 0.39278779 0.24379703
0.33763110 0.45507245 0.16806428
0.33927087 0.56093441 0.17648064
0.38054892 0.61822850 0.11080251
0.37602946 0.40941650 0.08798773
0.41826778 0.46571309 0.02165487
0.42208632 0.57007731 0.03428859
0.54993700 0.66060847 0.00656871
0.55623729 0.76045308 0.03897231
0.63837970 0.79302567 0.07521681
0.62516214 0.59405502 0.00847177
0.70714719 0.62762125 0.04362302
0.71375769 0.72689996 0.07839702
0.31645397 0.43847280 0.34179991
0.33691334 0.28480050 0.24375906
0.10559223 0.75891170 0.89470192
0.98752048 0.69342829 -0.02197406
0.94848368 0.76576104 0.90921430
0.85879749 0.79007890 0.88906088
0.84156411 0.85834985 0.81797326
0.71832609 0.81592108 0.72302616
0.65035870 0.75010095 0.74507940
0.61944371 0.67916079 0.67864865
0.65852904 0.67634697 0.59127232
0.65020675 0.60268559 0.51185052
0.75925862 0.71863957 0.47582448
0.72375854 0.74473133 0.56967474
0.75398970 0.81666514 0.63335741
0.91165549 0.90444597 0.77269494
0.00186834 0.87752602 0.79321071
0.01895470 0.80681384 0.86130331
0.82608531 0.32185058 0.33464910
0.73385203 0.42743130 0.44680207
0.77389864 0.68816337 0.28210114
0.86672835 0.58204866 0.17125217
0.18647375 0.23690628 0.17823368
0.02113067 0.23843214 0.15787073
0.00547159 0.55056731 0.24963709
0.16801365 0.54963619 0.26939039
0.38142081 0.70031523 0.11905617
0.30878396 0.60078609 0.23610135
0.37487498 0.32790776 0.07649502
0.44922864 0.42885235 0.96059723
0.64343019 0.87065546 0.10172097
0.49706505 0.81152827 0.03569374
0.61953538 0.51651873 0.98252631
0.76584289 0.57578822 0.04452075
0.38976587 0.43860056 0.35326823
0.28736633 0.39253461 0.39530057
0.29008688 0.51614578 0.35304270
0.40977878 0.28784135 0.25686430
0.32718846 0.24217382 0.17806556
0.30796611 0.24219858 0.29961184
0.80406680 0.75595656 0.92493031
0.62504063 0.75151688 0.81599785
0.56955841 0.62494526 0.69648504
0.80598817 0.86771894 0.61453072
0.89509321 0.96072810 0.72057101
0.05680184 0.90985436 0.75599253
0.12471634 0.64616848 -0.00115493
0.77765834 0.75272692 0.10700759
0.90946842 0.38663297 0.19088937
0.46785077 0.62678650 0.97059936
0.18231412 0.77272200 0.86989186
0.94855257 0.64512652 0.03571501
0.75158251 0.88055267 0.79297484
0.60150411 0.53071853 0.50367971
0.81824196 0.75984723 0.43434719
0.08033571 0.69175771 0.96357836
0.71419573 0.63062518 0.44471686
No title
1
14.845378 0.268493 -0.099086
0.264181 13.222149 -0.210929
-0.096798 -0.203850 14.392681
C H O N
43 30 7 2
Direct configuration= 128
0.75116380 0.56572337 0.37300105
0.76364934 0.46164882 0.38723391
0.81489953 0.40236159 0.32442621
0.78463525 0.60810798 0.29325823
0.83668776 0.54904576 0.23105341
0.85426230 0.44692253 0.24869416
0.00222792 0.39313483 0.20325219
0.05450133 0.30599073 0.18199086
0.14792990 0.30606269 0.19434755
0.04420547 0.48074845 0.23482675
0.13756272 0.47933417 0.24628609
0.19194336 0.39218268 0.22760731
0.29480252 0.39249945 0.24387463
0.33728661 0.45485930 0.16800036
0.33932142 0.56092899 0.17671642
0.38068378 0.61820608 0.11098427
0.37551379 0.40913729 0.08782491
0.41777791 0.46562099 0.02141989
0.42190732 0.57015526 0.03429201
0.54973625 0.66076059 0.00615734
0.55601479 0.76085659 0.03857046
0.63818266 0.79352264 0.07495488
0.62510085 0.59432076 0.00827296
0.70699257 0.62782228 0.04331046
0.71345378 0.72723384 0.07819016
0.31652547 0.43829064 0.34160290
0.33703179 0.28446558 0.24368257
0.10588926 0.75954776 0.89491251
0.98785401 0.69335793 -0.02200489
0.94883168 0.76563077 0.90916916
0.85894027 0.78954162 0.88910912
0.84177753 0.85817103 0.81802641
0.71852751 0.81582464 0.72314288
0.65010850 0.74998095 0.74501002
0.61923122 0.67921936 0.67832301
0.65856653 0.67652938 0.59125405
0.65023976 0.60297501 0.51165323
0.75968768 0.71882245 0.47596837
0.72419646 0.74482989 0.56984580
0.75426469 0.81658589 0.63342436
0.91168727 0.90470948 0.77286372
0.00207327 0.87795839 0.79330028
0.01920852 0.80704348 0.86139474
0.82696231 0.32178960 0.33521731
0.73495762 0.42769665 0.44746648
0.77257933 0.68808043 0.28161263
0.86592704 0.58217788 0.17067043
0.18660652 0.23650516 0.17812198
0.02126167 0.23794600 0.15722356
0.00519786 0.55020172 0.25044489
0.16774342 0.54924926 0.27041997
0.38171915 0.70046474 0.11943454
0.30901972 0.60066414 0.23643236
0.37405942 0.32754392 0.07615296
0.44849298 0.42873206 0.96019653
0.64302780 0.87123228 0.10126003
0.49666548 0.81221949 0.03524330
0.61950269 0.51670168 0.98233047
0.76558500 0.57582019 0.04412782
0.38986569 0.43850490 0.35280755
0.28760063 0.39232693 0.39525783
0.29004633 0.51605926 0.35310303
0.40995051 0.28759078 0.25659455
0.32731784 0.24163510 0.17814759
0.30823149 0.24184159 0.29966046
0.80418136 0.75539617 0.92475355
0.62465301 0.75133825 0.81554725
0.56911547 0.62492995 0.69611493
0.80627784 0.86771351 0.61477467
0.89511694 0.96141192 0.72129638
0.05699126 0.91055592 0.75615892
0.12511271 0.64670736 -0.00070164
0.77712372 0.75313767 0.10714351
0.90960163 0.38646733 0.19048482
0.46752478 0.62698684 0.97044330
0.18277622 0.77382621 0.87014233
0.94910378 0.64482331 0.03542699
0.75175982 0.88026313 0.79327230
0.60134858 0.53086428 0.50358185
0.81887912 0.75966463 0.43437450
0.08086082 0.69234087 0.96378706
0.71421440 0.63083907 0.44450539
No title
1
14.846371 0.267754 -0.104487
0.263473 13.230053 -0.211116
-0.102064 -0.204157 14.386899
C H O N
43 30 7 2
Direct configuration= 129
0.75110651 0.56567880 0.37300078
0.76340860 0.46161364 0.38708020
0.81473044 0.40237680 0.32433717
0.78482543 0.60809975 0.29337251
0.83686965 0.54899486 0.23122811
0.85423322 0.44697040 0.24878275
0.00224698 0.39328911 0.20316692
0.05452623 0.30614375 0.18198072
0.14795511 0.30625788 0.19428443
0.04429243 0.48089995 0.23458334
0.13764649 0.47948920 0.24601869
0.19195447 0.39236174 0.22743073
0.29484309 0.39259843 0.24384802
0.33740466 0.45493245 0.16802211
0.33930418 0.56093086 0.17663573
0.38063762 0.61821379 0.11092210
0.37569048 0.40923312 0.08788045
0.41794574 0.46565258 0.02150015
0.42196869 0.57012849 0.03429077
0.54980492 0.66070835 0.00629808
0.55609094 0.76071804 0.03870794
0.63825014 0.79335200 0.07504447
0.62512180 0.59422952 0.00834099
0.70704547 0.62775324 0.04341740
0.71355790 0.72711919 0.07826085
0.31650088 0.43835318 0.34167037
0.33699114 0.28458057 0.24370879
0.10578755 0.75932941 0.89484054
0.98773967 0.69338211 -0.02199421
0.94871237 0.76567551 0.90918474
0.85889131 0.78972609 0.88909266
0.84170438 0.85823244 0.81800829
0.71845850 0.81585777 0.72310300
0.65019424 0.75002213 0.74503367
0.61930394 0.67919923 0.67843440
0.65855368 0.67646676 0.59126031
0.65022839 0.60287564 0.51172078
0.75954066 0.71875969 0.47591928
0.72404641 0.74479608 0.56978741
0.75417045 0.81661312 0.63340154
0.91167645 0.90461902 0.77280596
0.00200308 0.87780996 0.79326970
0.01912156 0.80696466 0.86136354
0.82666189 0.32181061 0.33502313
0.73457889 0.42760563 0.44723946
0.77303139 0.68810881 0.28177936
0.86620152 0.58213345 0.17086927
0.18656095 0.23664288 0.17816027
0.02121651 0.23811289 0.15744514
0.00529196 0.55032724 0.25016826
0.16783640 0.54938211 0.27006742
0.38161703 0.70041344 0.11930513
0.30893902 0.60070603 0.23631914
0.37433884 0.32766877 0.07626974
0.44874500 0.42877331 0.96033342
0.64316560 0.87103421 0.10141767
0.49680233 0.81198215 0.03539735
0.61951383 0.51663886 0.98239750
0.76567326 0.57580919 0.04426223
0.38983130 0.43853774 0.35296529
0.28752029 0.39239824 0.39527255
0.29006024 0.51608896 0.35308237
0.40989153 0.28767681 0.25668695
0.32727349 0.24182006 0.17811956
0.30814052 0.24196417 0.29964391
0.80414199 0.75558857 0.92481410
0.62478571 0.75139954 0.81570135
0.56926717 0.62493517 0.69624146
0.80617863 0.86771540 0.61469127
0.89510910 0.96117717 0.72104808
0.05692643 0.91031508 0.75610203
0.12497703 0.64652239 -0.00085666
0.77730706 0.75299662 0.10709678
0.90955581 0.38652420 0.19062335
0.46763648 0.62691803 0.97049660
0.18261797 0.77344715 0.87005677
0.94891472 0.64492744 0.03552579
0.75169913 0.88036255 0.79317054
0.60140187 0.53081423 0.50361529
0.81866071 0.75972736 0.43436539
0.08068093 0.69214069 0.96371582
0.71420794 0.63076564 0.44457779
No title
1
14.844737 0.267422 -0.098434
0.263208 13.222611 -0.209489
-0.096180 -0.202307 14.391970
C H O N
43 30 7 2
Direct configuration= 130
0.75114410 0.56573491 0.37304607
0.76367554 0.46163715 0.38716369
0.81492666 0.40238068 0.32439686
0.78462768 0.60811530 0.29325256
0.83668927 0.54896149 0.23108689
0.85424958 0.44693449 0.24870806
0.00221075 0.39311620 0.20327095
0.05451899 0.30594471 0.18195591
0.14791266 0.30608828 0.19431863
0.04420341 0.48076694 0.23482811
0.13756136 0.47928912 0.24627049
0.19196199 0.39212776 0.22764709
0.29483130 0.39251331 0.24388096
0.33729858 0.45487589 0.16802608
0.33933656 0.56090769 0.17669106
0.38064369 0.61827740 0.11099735
0.37552515 0.40920181 0.08777197
0.41774296 0.46560695 0.02140916
0.42189289 0.57012635 0.03429440
0.54971020 0.66079550 0.00616086
0.55596367 0.76093199 0.03852739
0.63815049 0.79356559 0.07495378
0.62512271 0.59431244 0.00820871
0.70699180 0.62787534 0.04336328
0.71345774 0.72722733 0.07814352
0.31651375 0.43830415 0.34160074
0.33705465 0.28444741 0.24366404
0.10600865 0.75959302 0.89495731
0.98784715 0.69331722 -0.02200060
0.94869849 0.76560863 0.90923826
0.85901224 0.78955640 0.88899590
0.84177122 0.85821677 0.81803898
0.71843943 0.81575801 0.72312134
0.65021096 0.74999013 0.74493871
0.61923332 0.67927300 0.67841516
0.65861106 0.67653488 0.59119836
0.65026356 0.60294462 0.51157555
0.75970175 0.71872441 0.47593368
0.72411372 0.74478545 0.56980546
0.75430092 0.81659091 0.63349034
0.91176093 0.90469000 0.77289282
0.00200687 0.87798742 0.79330673
0.01921469 0.80703334 0.86132204
0.82698370 0.32176741 0.33521725
0.73496964 0.42770351 0.44747790
0.77255842 0.68814911 0.28158908
0.86592466 0.58218868 0.17063809
0.18662312 0.23643540 0.17811491
0.02127058 0.23794241 0.15721813
0.00515902 0.55021847 0.25047647
0.16777795 0.54928898 0.27047074
0.38174771 0.70042830 0.11945272
0.30902429 0.60068364 0.23647973
0.37406354 0.32751060 0.07615280
0.44848418 0.42872692 0.96020865
0.64301765 0.87128185 0.10126146
0.49669887 0.81218666 0.03524282
0.61946089 0.51662987 0.98230225
0.76561486 0.57582130 0.04412236
0.38988271 0.43851541 0.35281473
0.28759277 0.39230919 0.39524402
0.29001359 0.51607175 0.35307882
0.40997409 0.28759514 0.25659225
0.32729080 0.24160271 0.17814541
0.30821056 0.24180351 0.29965759
0.80413182 0.75538262 0.92477761
0.62462599 0.75138284 0.81558308
0.56910024 0.62497549 0.69610445
0.80631197 0.86774606 0.61480758
0.89510810 0.96136992 0.72130322
0.05698629 0.91058277 0.75618341
0.12513731 0.64678560 -0.00072253
0.77712717 0.75311803 0.10712197
0.90956651 0.38644023 0.19051125
0.46756429 0.62696415 0.97046808
0.18266266 0.77374229 0.87022484
0.94915936 0.64483449 0.03537997
0.75176262 0.88025470 0.79327976
0.60135500 0.53086088 0.50358606
0.81887022 0.75972798 0.43442582
0.08091490 0.69236630 0.96376111
0.71420519 0.63085651 0.44463453
No title
1
14.843450 0.267160 -0.093666
0.262998 13.216749 -0.208207
-0.091545 -0.200849 14.395965
C H O N
43 30 7 2
Direct configuration= 131
0.75117371 0.56577913 0.37308172
0.76388584 0.46165568 0.38722935
0.81508124 0.40238374 0.32444381
0.78447191 0.60812757 0.29315817
0.83654720 0.54893521 0.23097573
0.85426250 0.44690619 0.24864924
0.00218217 0.39297989 0.20335289
0.05451328 0.30578781 0.18193639
0.14787921 0.30595459 0.19434560
0.04413320 0.48066207 0.23502092
0.13749421 0.47913138 0.24646884
0.19196784 0.39194329 0.22781749
0.29482201 0.39244621 0.24390691
0.33721499 0.45483131 0.16802924
0.33936206 0.56088943 0.17673463
0.38064845 0.61832753 0.11105660
0.37539492 0.40917715 0.08768660
0.41758321 0.46557099 0.02133758
0.42183316 0.57012465 0.03429729
0.54963561 0.66086422 0.00605282
0.55586344 0.76110067 0.03838523
0.63807201 0.79373397 0.07488236
0.62512347 0.59437782 0.00810453
0.70694952 0.62797158 0.04332068
0.71337886 0.72731258 0.07805114
0.31652391 0.43826551 0.34154591
0.33710470 0.28434245 0.24362879
0.10618282 0.75980080 0.89504917
0.98793183 0.69326607 -0.02200566
0.94868753 0.76555590 0.90928042
0.85910755 0.78942264 0.88891967
0.84182387 0.85820442 0.81806313
0.71842440 0.81567936 0.72313580
0.65022417 0.74996492 0.74486391
0.61917767 0.67933116 0.67840003
0.65865629 0.67658859 0.59114954
0.65029131 0.60299900 0.51146116
0.75982867 0.71869659 0.47594498
0.72416674 0.74477707 0.56981966
0.75440369 0.81657340 0.63356023
0.91182746 0.90474594 0.77296119
0.00200985 0.87812730 0.79333588
0.01928808 0.80708748 0.86128932
0.82723719 0.32173335 0.33537002
0.73527744 0.42778064 0.44766554
0.77218583 0.68818088 0.28143938
0.86570659 0.58223224 0.17045611
0.18667212 0.23627187 0.17807918
0.02131325 0.23780804 0.15703934
0.00505418 0.55013269 0.25071925
0.16773178 0.54921553 0.27078840
0.38185063 0.70044000 0.11956892
0.30909142 0.60066598 0.23660618
0.37384666 0.32738592 0.07606080
0.44827872 0.42869037 0.96011049
0.64290112 0.87147707 0.10113847
0.49661739 0.81234789 0.03512114
0.61941920 0.51662280 0.98222726
0.76556888 0.57583087 0.04401223
0.38992326 0.43849783 0.35269615
0.28764990 0.39223899 0.39522154
0.28997684 0.51605819 0.35307604
0.41003918 0.28753078 0.25651764
0.32730443 0.24143136 0.17816577
0.30826574 0.24167688 0.29966835
0.80412382 0.75522028 0.92474889
0.62450017 0.75136969 0.81548998
0.56896876 0.62500729 0.69599659
0.80641700 0.86777021 0.61489913
0.89510724 0.96152183 0.72150414
0.05703343 0.91079377 0.75624745
0.12526356 0.64699307 -0.00061698
0.77698543 0.75321372 0.10714185
0.90957498 0.38637406 0.19042297
0.46750742 0.62700050 0.97044564
0.18269782 0.77397491 0.87035716
0.94935217 0.64476124 0.03526505
0.75181261 0.88016967 0.79336577
0.60131809 0.53089765 0.50356306
0.81903527 0.75972847 0.43447335
0.08109924 0.69254414 0.96379668
0.71420301 0.63092814 0.44467920
No title
1
14.842046 0.266391 -0.087104
0.262357 13.208633 -0.206096
-0.085173 -0.198470 14.400975
C H O N
43 30 7 2
Direct configuration= 132
0.75119685 0.56583569 0.37314176
0.76416918 0.46169592 0.38729832
0.81534265 0.40234752 0.32448257
0.78423978 0.60816171 0.29304022
0.83636324 0.54884577 0.23082907
0.85425435 0.44688283 0.24857485
0.00215215 0.39277500 0.20347011
0.05451074 0.30555957 0.18188241
0.14789909 0.30574143 0.19435261
0.04403703 0.48050239 0.23528412
0.13745695 0.47893860 0.24676529
0.19191730 0.39167716 0.22807096
0.29484474 0.39233066 0.24395118
0.33714646 0.45479116 0.16801351
0.33937769 0.56085933 0.17681983
0.38063706 0.61838966 0.11110848
0.37517272 0.40911443 0.08757509
0.41734925 0.46555291 0.02120297
0.42172038 0.57012195 0.03431428
0.54956147 0.66103475 0.00593334
0.55575287 0.76135562 0.03816186
0.63787305 0.79394615 0.07472431
0.62508337 0.59446090 0.00787840
0.70689520 0.62807528 0.04327361
0.71325988 0.72750966 0.07791461
0.31654476 0.43823437 0.34149123
0.33719751 0.28416112 0.24359287
0.10621811 0.76009388 0.89527170
0.98820003 0.69333158 -0.02219562
0.94874476 0.76548513 0.90932203
0.85914908 0.78923292 0.88874919
0.84188611 0.85820237 0.81809957
0.71845111 0.81561853 0.72313268
0.65024961 0.74990268 0.74479991
0.61912224 0.67941197 0.67836102
0.65866940 0.67660132 0.59108953
0.65028041 0.60303104 0.51134495
0.76000229 0.71862389 0.47598490
0.72423748 0.74480854 0.56980451
0.75454902 0.81651446 0.63368883
0.91190766 0.90483732 0.77307725
0.00206459 0.87829749 0.79341623
0.01932613 0.80712567 0.86123972
0.82760836 0.32169247 0.33557299
0.73572714 0.42789000 0.44792224
0.77165991 0.68828293 0.28120014
0.86538828 0.58228180 0.17019410
0.18672831 0.23600404 0.17802710
0.02137791 0.23761470 0.15678705
0.00487388 0.55001761 0.25108768
0.16766980 0.54907421 0.27125389
0.38202604 0.70047237 0.11975342
0.30920597 0.60064407 0.23680387
0.37355347 0.32724429 0.07594039
0.44798430 0.42863709 0.95998615
0.64273499 0.87181965 0.10098109
0.49651778 0.81255700 0.03494935
0.61932689 0.51656652 0.98210304
0.76552327 0.57587304 0.04386400
0.38997659 0.43849038 0.35253542
0.28771888 0.39211729 0.39517426
0.28989585 0.51603945 0.35303804
0.41014355 0.28744332 0.25640392
0.32729707 0.24116777 0.17819621
0.30832834 0.24146627 0.29966590
0.80411693 0.75501476 0.92469042
0.62431300 0.75140184 0.81537617
0.56878174 0.62512592 0.69584148
0.80660905 0.86784073 0.61506503
0.89509859 0.96170055 0.72176612
0.05707576 0.91111653 0.75636947
0.12548674 0.64736360 -0.00049299
0.77679857 0.75332270 0.10713837
0.90952117 0.38626859 0.19034094
0.46747091 0.62701473 0.97043670
0.18295990 0.77428521 0.87052617
0.94954871 0.64448789 0.03525937
0.75184476 0.88000948 0.79344833
0.60130434 0.53097933 0.50351933
0.81925843 0.75978017 0.43458187
0.08131654 0.69279919 0.96385537
0.71426087 0.63099424 0.44476045
No title
1
14.841383 0.266028 -0.084004
0.262053 13.204799 -0.205099
-0.082163 -0.197346 14.403342
C H O N
43 30 7 2
Direct configuration= 133
0.75120777 0.56586242 0.37317010
0.76430303 0.46171495 0.38733083
0.81546614 0.40233041 0.32450083
0.78413013 0.60817786 0.29298456
0.83627636 0.54880350 0.23075985
0.85425051 0.44687179 0.24853973
0.00213794 0.39267814 0.20352549
0.05450954 0.30545169 0.18185694
0.14790847 0.30564067 0.19435592
0.04399153 0.48042689 0.23540844
0.13743928 0.47884745 0.24690530
0.19189338 0.39155134 0.22819068
0.29485547 0.39227603 0.24397209
0.33711408 0.45477218 0.16800609
0.33938506 0.56084510 0.17686007
0.38063167 0.61841903 0.11113298
0.37506776 0.40908479 0.08752249
0.41723874 0.46554437 0.02113946
0.42166710 0.57012066 0.03432233
0.54952647 0.66111537 0.00587692
0.55570068 0.76147615 0.03805638
0.63777909 0.79404645 0.07464970
0.62506448 0.59450018 0.00777162
0.70686955 0.62812430 0.04325138
0.71320370 0.72760282 0.07785014
0.31655462 0.43821965 0.34146540
0.33724137 0.28407541 0.24357590
0.10623475 0.76023240 0.89537676
0.98832677 0.69336257 -0.02228540
0.94877179 0.76545168 0.90934167
0.85916873 0.78914326 0.88866869
0.84191552 0.85820140 0.81811676
0.71846373 0.81558978 0.72313121
0.65026164 0.74987327 0.74476968
0.61909606 0.67945017 0.67834260
0.65867561 0.67660734 0.59106119
0.65027528 0.60304620 0.51129007
0.76008431 0.71858952 0.47600371
0.72427091 0.74482343 0.56979734
0.75461765 0.81648659 0.63374953
0.91194553 0.90488051 0.77313204
0.00209043 0.87837794 0.79345416
0.01934412 0.80714373 0.86121628
0.82778368 0.32167314 0.33566876
0.73593954 0.42794168 0.44804336
0.77141149 0.68833118 0.28108727
0.86523796 0.58230524 0.17007044
0.18675486 0.23587745 0.17800251
0.02140850 0.23752334 0.15666791
0.00478862 0.54996318 0.25126171
0.16764042 0.54900737 0.27147372
0.38210887 0.70048767 0.11984051
0.30926004 0.60063369 0.23689720
0.37341498 0.32717735 0.07588360
0.44784523 0.42861191 0.95992750
0.64265655 0.87198160 0.10090678
0.49647075 0.81265585 0.03486823
0.61928330 0.51653992 0.98204441
0.76550175 0.57589299 0.04379400
0.39000182 0.43848687 0.35245950
0.28775148 0.39205977 0.39515193
0.28985759 0.51603059 0.35302012
0.41019288 0.28740199 0.25635020
0.32729358 0.24104317 0.17821059
0.30835791 0.24136672 0.29966475
0.80411369 0.75491761 0.92466282
0.62422460 0.75141704 0.81532246
0.56869342 0.62518200 0.69576826
0.80669975 0.86787405 0.61514333
0.89509446 0.96178501 0.72188983
0.05709574 0.91126909 0.75642706
0.12559216 0.64753874 -0.00043451
0.77671030 0.75337421 0.10713676
0.90949576 0.38621875 0.19030222
0.46745367 0.62702146 0.97043248
0.18308369 0.77443188 0.87060590
0.94964157 0.64435869 0.03525666
0.75185993 0.87993375 0.79348732
0.60129785 0.53101794 0.50349868
0.81936384 0.75980461 0.43463307
0.08141920 0.69291975 0.96388301
0.71428818 0.63102548 0.44479880
No title
1
14.838752 0.265211 -0.077669
0.261356 13.196233 -0.203299
-0.076003 -0.195310 14.407380
C H O N
43 30 7 2
Direct configuration= 134
0.75123249 0.56590844 0.37317592
0.76455100 0.46174015 0.38741982
0.81572470 0.40226128 0.32457576
0.78389719 0.60823140 0.29286975
0.83608688 0.54880477 0.23060172
0.85422850 0.44681762 0.24846358
0.00211055 0.39246468 0.20361969
0.05454121 0.30525979 0.18179572
0.14798296 0.30536576 0.19433564
0.04392677 0.48026390 0.23567287
0.13741597 0.47870896 0.24723408
0.19181452 0.39132556 0.22843197
0.29489290 0.39211783 0.24401719
0.33708821 0.45471895 0.16796822
0.33937243 0.56085667 0.17697913
0.38060613 0.61841329 0.11115943
0.37480068 0.40897459 0.08743062
0.41698798 0.46555528 0.02100216
0.42154766 0.57015739 0.03432492
0.54951358 0.66130027 0.00577487
0.55562752 0.76170762 0.03781916
0.63756630 0.79428989 0.07445567
0.62498778 0.59459788 0.00750676
0.70678010 0.62816653 0.04316176
0.71303226 0.72786206 0.07771462
0.31659501 0.43819583 0.34143849
0.33734042 0.28386319 0.24357102
0.10638154 0.76058622 0.89550299
0.98849074 0.69327070 -0.02227398
0.94891214 0.76542542 0.90925890
0.85910528 0.78890468 0.88854894
0.84193382 0.85817437 0.81813243
0.71859455 0.81560713 0.72314768
0.65022826 0.74978396 0.74480951
0.61906362 0.67947696 0.67822686
0.65861973 0.67658069 0.59104222
0.65024366 0.60313615 0.51133261
0.76025964 0.71858878 0.47610476
0.72436195 0.74490816 0.56979320
0.75478717 0.81640354 0.63380500
0.91198389 0.90500647 0.77325881
0.00222020 0.87851580 0.79355946
0.01933666 0.80714338 0.86122992
0.82816635 0.32164428 0.33584825
0.73641048 0.42804521 0.44826861
0.77091397 0.68843609 0.28082304
0.86489940 0.58230790 0.16984069
0.18678422 0.23560000 0.17795040
0.02147040 0.23732087 0.15641692
0.00460172 0.54981478 0.25164039
0.16756982 0.54878680 0.27193302
0.38231361 0.70057181 0.12003979
0.30940670 0.60059614 0.23708727
0.37313821 0.32710304 0.07577905
0.44755731 0.42856004 0.95980292
0.64248318 0.87233075 0.10074953
0.49636184 0.81286762 0.03469396
0.61916318 0.51648549 0.98191197
0.76547049 0.57598118 0.04366622
0.39003488 0.43850605 0.35230922
0.28780861 0.39191671 0.39509207
0.28975421 0.51600496 0.35294452
0.41030183 0.28730879 0.25622340
0.32726862 0.24077579 0.17825186
0.30841626 0.24113029 0.29963749
0.80413912 0.75475352 0.92455482
0.62404438 0.75149692 0.81521261
0.56850847 0.62538266 0.69562320
0.80691081 0.86794507 0.61535363
0.89508399 0.96194492 0.72210040
0.05711646 0.91161436 0.75658140
0.12586859 0.64797914 -0.00033349
0.77655125 0.75347158 0.10710044
0.90941368 0.38611191 0.19026482
0.46745296 0.62700717 0.97044431
0.18329102 0.77470024 0.87083867
0.94994196 0.64414618 0.03513148
0.75184695 0.87974851 0.79351582
0.60126071 0.53103068 0.50341239
0.81956106 0.75986609 0.43477615
0.08153846 0.69317957 0.96396333
0.71444660 0.63100699 0.44480668
No title
1
14.836961 0.264655 -0.073357
0.260882 13.190403 -0.202074
-0.071811 -0.193924 14.410129
C H O N
43 30 7 2
Direct configuration= 135
0.75124931 0.56593978 0.37317987
0.76471980 0.46175732 0.38748031
0.81590071 0.40221419 0.32462669
0.78373864 0.60826787 0.29279168
0.83595792 0.54880565 0.23049417
0.85421353 0.44678073 0.24841177
0.00209188 0.39231927 0.20368382
0.05456279 0.30512910 0.18175406
0.14803366 0.30517852 0.19432183
0.04388260 0.48015286 0.23585284
0.13740001 0.47861460 0.24745783
0.19176076 0.39117175 0.22859621
0.29491837 0.39201007 0.24404787
0.33707060 0.45468270 0.16794246
0.33936381 0.56086454 0.17706015
0.38058874 0.61840937 0.11117744
0.37461886 0.40889952 0.08736819
0.41681730 0.46556272 0.02090881
0.42146635 0.57018241 0.03432672
0.54950483 0.66142622 0.00570541
0.55557779 0.76186531 0.03765773
0.63742149 0.79445572 0.07432367
0.62493564 0.59466445 0.00732654
0.70671922 0.62819530 0.04310079
0.71291559 0.72803865 0.07762243
0.31662252 0.43817960 0.34142017
0.33740785 0.28371865 0.24356769
0.10648144 0.76082722 0.89558882
0.98860236 0.69320813 -0.02226626
0.94900772 0.76540755 0.90920253
0.85906212 0.78874219 0.88846749
0.84194628 0.85815596 0.81814309
0.71868361 0.81561895 0.72315884
0.65020552 0.74972312 0.74483663
0.61904156 0.67949522 0.67814810
0.65858169 0.67656253 0.59102933
0.65022212 0.60319741 0.51136156
0.76037897 0.71858827 0.47617346
0.72442394 0.74496588 0.56979035
0.75490256 0.81634697 0.63384271
0.91200997 0.90509225 0.77334506
0.00230852 0.87860969 0.79363107
0.01933158 0.80714313 0.86123920
0.82842682 0.32162462 0.33597028
0.73673104 0.42811573 0.44842175
0.77057532 0.68850756 0.28064337
0.86466897 0.58230973 0.16968446
0.18680421 0.23541102 0.17791495
0.02151260 0.23718300 0.15624611
0.00447437 0.54971366 0.25189815
0.16752163 0.54863652 0.27224561
0.38245294 0.70062912 0.12017532
0.30950649 0.60057054 0.23721658
0.37294980 0.32705243 0.07570799
0.44736133 0.42852472 0.95971823
0.64236520 0.87256858 0.10064254
0.49628775 0.81301188 0.03457539
0.61908144 0.51644843 0.98182188
0.76544925 0.57604125 0.04357926
0.39005744 0.43851913 0.35220695
0.28784752 0.39181927 0.39505132
0.28968385 0.51598751 0.35289310
0.41037603 0.28724533 0.25613709
0.32725162 0.24059366 0.17827997
0.30845599 0.24096925 0.29961895
0.80415647 0.75464176 0.92448134
0.62392171 0.75155133 0.81513791
0.56838259 0.62551933 0.69552452
0.80705445 0.86799342 0.61549666
0.89507682 0.96205382 0.72224369
0.05713053 0.91184953 0.75668640
0.12605677 0.64827911 -0.00026487
0.77644299 0.75353790 0.10707577
0.90935781 0.38603915 0.19023939
0.46745248 0.62699744 0.97045236
0.18343211 0.77488300 0.87099698
0.95014650 0.64400145 0.03504623
0.75183809 0.87962233 0.79353524
0.60123545 0.53103937 0.50335367
0.81969529 0.75990795 0.43487345
0.08161964 0.69335654 0.96401793
0.71455446 0.63099440 0.44481199
No title
1
14.832724 0.264434 -0.068525
0.260733 13.179924 -0.201734
-0.067077 -0.193408 14.415591
C H O N
43 30 7 2
Direct configuration= 136
0.75130352 0.56592630 0.37309933
0.76498109 0.46174280 0.38756789
0.81610782 0.40219465 0.32479515
0.78352072 0.60837014 0.29260994
0.83571754 0.54889855 0.23035703
0.85415637 0.44674675 0.24834214
0.00207186 0.39213099 0.20375058
0.05464222 0.30492508 0.18167579
0.14808025 0.30492257 0.19431019
0.04384192 0.47997750 0.23614498
0.13728846 0.47842988 0.24781887
0.19174699 0.39096819 0.22879978
0.29493350 0.39182134 0.24409353
0.33701846 0.45458849 0.16796294
0.33935835 0.56086098 0.17714320
0.38053491 0.61844895 0.11125958
0.37433897 0.40886256 0.08723662
0.41649956 0.46554631 0.02082123
0.42136898 0.57022644 0.03425646
0.54948851 0.66155035 0.00555838
0.55546398 0.76209256 0.03739596
0.63730417 0.79485144 0.07413191
0.62489864 0.59473268 0.00706770
0.70654496 0.62831311 0.04293723
0.71268917 0.72821448 0.07745360
0.31665843 0.43811843 0.34139131
0.33749473 0.28347781 0.24357465
0.10669734 0.76117682 0.89563017
0.98872981 0.69312701 -0.02222683
0.94893348 0.76530859 0.90907230
0.85915705 0.78850753 0.88837967
0.84190823 0.85802757 0.81816634
0.71877319 0.81552313 0.72323622
0.65021406 0.74968899 0.74480264
0.61898694 0.67950555 0.67809494
0.65858434 0.67664843 0.59098289
0.65017245 0.60322919 0.51147034
0.76054728 0.71865857 0.47631041
0.72446932 0.74498021 0.56983628
0.75515379 0.81632696 0.63380676
0.91209057 0.90523171 0.77350404
0.00234825 0.87875652 0.79374940
0.01948608 0.80723012 0.86124119
0.82885696 0.32156362 0.33614122
0.73724277 0.42819906 0.44865733
0.77009355 0.68856452 0.28034756
0.86429792 0.58226744 0.16945295
0.18683658 0.23507362 0.17784636
0.02158222 0.23698065 0.15598880
0.00429873 0.54947192 0.25230120
0.16746200 0.54836607 0.27274445
0.38269886 0.70071708 0.12038574
0.30968578 0.60052807 0.23743340
0.37266333 0.32697813 0.07560777
0.44706549 0.42848095 0.95957013
0.64215689 0.87288506 0.10044966
0.49615425 0.81324182 0.03438023
0.61892181 0.51645834 0.98167973
0.76542746 0.57618323 0.04347428
0.39008750 0.43857942 0.35206909
0.28790033 0.39165052 0.39498597
0.28955841 0.51594858 0.35277778
0.41049696 0.28712133 0.25598720
0.32722324 0.24032170 0.17834859
0.30852187 0.24067801 0.29958570
0.80413713 0.75444393 0.92436215
0.62371031 0.75167180 0.81509847
0.56815888 0.62578015 0.69539054
0.80728457 0.86802980 0.61575446
0.89506771 0.96223728 0.72238676
0.05718237 0.91225638 0.75686837
0.12638931 0.64883084 -0.00018545
0.77628745 0.75365241 0.10699741
0.90933253 0.38590432 0.19020876
0.46748246 0.62699933 0.97046745
0.18361148 0.77518326 0.87128669
0.95043277 0.64368711 0.03496309
0.75181089 0.87948398 0.79354017
0.60118672 0.53103430 0.50323876
0.81993156 0.76000477 0.43502482
0.08174353 0.69361989 0.96414465
0.71475753 0.63097714 0.44488209
No title
1
14.830454 0.264315 -0.065937
0.260653 13.174309 -0.201552
-0.064540 -0.193131 14.418518
C H O N
43 30 7 2
Direct configuration= 137
0.75133259 0.56591907 0.37305618
0.76512111 0.46173500 0.38761475
0.81621881 0.40218416 0.32488535
0.78340396 0.60842498 0.29251264
0.83558873 0.54894836 0.23028361
0.85412574 0.44672852 0.24830485
0.00206113 0.39203002 0.20378635
0.05468480 0.30481568 0.18163385
0.14810522 0.30478532 0.19430394
0.04382007 0.47988346 0.23630146
0.13722861 0.47833082 0.24801227
0.19173957 0.39085903 0.22890881
0.29494160 0.39172014 0.24411798
0.33699051 0.45453797 0.16797392
0.33935541 0.56085907 0.17718769
0.38050604 0.61847018 0.11130358
0.37418897 0.40884273 0.08716620
0.41632928 0.46553751 0.02077438
0.42131681 0.57025006 0.03421885
0.54947979 0.66161691 0.00547963
0.55540303 0.76221442 0.03725577
0.63724133 0.79506364 0.07402922
0.62487885 0.59476927 0.00692908
0.70645158 0.62837629 0.04284966
0.71256785 0.72830878 0.07736322
0.31667769 0.43808562 0.34137585
0.33754129 0.28334866 0.24357836
0.10681305 0.76136429 0.89565228
0.98879811 0.69308350 -0.02220573
0.94889370 0.76525552 0.90900255
0.85920795 0.78838169 0.88833262
0.84188783 0.85795872 0.81817880
0.71882119 0.81547175 0.72327765
0.65021865 0.74967070 0.74478443
0.61895767 0.67951110 0.67806648
0.65858576 0.67669449 0.59095801
0.65014581 0.60324622 0.51152862
0.76063746 0.71869626 0.47638373
0.72449364 0.74498790 0.56986087
0.75528845 0.81631622 0.63378746
0.91213374 0.90530650 0.77358918
0.00236952 0.87883525 0.79381277
0.01956888 0.80727676 0.86124223
0.82908748 0.32153091 0.33623271
0.73751700 0.42824375 0.44878342
0.76983538 0.68859507 0.28018920
0.86409909 0.58224477 0.16932901
0.18685393 0.23489270 0.17780962
0.02161957 0.23687216 0.15585096
0.00420452 0.54934229 0.25251711
0.16742995 0.54822104 0.27301165
0.38283062 0.70076425 0.12049840
0.30978183 0.60050529 0.23754950
0.37250981 0.32693829 0.07555414
0.44690695 0.42845748 0.95949086
0.64204527 0.87305478 0.10034639
0.49608273 0.81336513 0.03427572
0.61883627 0.51646366 0.98160362
0.76541579 0.57625937 0.04341805
0.39010364 0.43861175 0.35199525
0.28792864 0.39156003 0.39495096
0.28949120 0.51592771 0.35271603
0.41056180 0.28705484 0.25590689
0.32720803 0.24017587 0.17838536
0.30855718 0.24052183 0.29956789
0.80412678 0.75433785 0.92429832
0.62359701 0.75173641 0.81507737
0.56803899 0.62592000 0.69531882
0.80740786 0.86804930 0.61589250
0.89506281 0.96233565 0.72246339
0.05721012 0.91247455 0.75696582
0.12656753 0.64912670 -0.00014298
0.77620410 0.75371382 0.10695546
0.90931899 0.38583203 0.19019236
0.46749852 0.62700035 0.97047552
0.18370756 0.77534427 0.87144183
0.95058621 0.64351855 0.03491852
0.75179630 0.87940979 0.79354282
0.60116063 0.53103158 0.50317722
0.82005817 0.76005669 0.43510586
0.08180991 0.69376111 0.96421250
0.71486636 0.63096789 0.44491960
No title
1
14.826705 0.264964 -0.062627
0.261320 13.162727 -0.202767
-0.061264 -0.194254 14.425369
C H O N
43 30 7 2
Direct configuration= 138
0.75139959 0.56592404 0.37294865
0.76535471 0.46173350 0.38773497
0.81642946 0.40216436 0.32500734
0.78318235 0.60853336 0.29233434
0.83534772 0.54897239 0.23013871
0.85401361 0.44676649 0.24828751
0.00209045 0.39187137 0.20381844
0.05472737 0.30461131 0.18153813
0.14815886 0.30458547 0.19432568
0.04371373 0.47967447 0.23658927
0.13713050 0.47805350 0.24837962
0.19177235 0.39066921 0.22903729
0.29493593 0.39153870 0.24417241
0.33689332 0.45441893 0.16804041
0.33935701 0.56080556 0.17724820
0.38049192 0.61856809 0.11136376
0.37389078 0.40886037 0.08707205
0.41602408 0.46551583 0.02064309
0.42120068 0.57031065 0.03417097
0.54943620 0.66169663 0.00529481
0.55531065 0.76246783 0.03702395
0.63715567 0.79541893 0.07377602
0.62484986 0.59479780 0.00671110
0.70631954 0.62851212 0.04262418
0.71238745 0.72845294 0.07721776
0.31667490 0.43797682 0.34132677
0.33760680 0.28310850 0.24358514
0.10680694 0.76156797 0.89576044
0.98891932 0.69310219 -0.02226793
0.94896047 0.76501328 0.90890592
0.85923774 0.78820007 0.88825877
0.84190805 0.85782079 0.81815096
0.71891329 0.81526299 0.72322013
0.65020658 0.74967510 0.74473513
0.61893214 0.67958639 0.67805393
0.65855763 0.67682539 0.59098706
0.65015974 0.60319265 0.51154580
0.76080445 0.71877413 0.47645690
0.72460137 0.74502971 0.56992825
0.75545726 0.81629010 0.63387446
0.91209119 0.90543122 0.77375886
0.00241049 0.87903163 0.79390512
0.01975104 0.80742285 0.86126163
0.82954099 0.32145087 0.33639270
0.73803187 0.42829451 0.44904237
0.76939126 0.68863626 0.27988317
0.86372771 0.58218200 0.16907813
0.18689020 0.23452956 0.17772735
0.02170306 0.23669452 0.15560638
0.00405281 0.54903251 0.25292795
0.16738665 0.54794922 0.27353634
0.38309399 0.70083993 0.12070935
0.30998427 0.60046321 0.23777681
0.37222237 0.32684253 0.07545315
0.44659421 0.42844060 0.95935897
0.64182563 0.87342022 0.10015758
0.49591243 0.81360470 0.03405999
0.61865542 0.51652455 0.98144812
0.76535484 0.57648342 0.04334147
0.39014779 0.43871256 0.35188504
0.28798084 0.39138176 0.39489148
0.28935783 0.51586795 0.35257615
0.41068119 0.28689158 0.25574456
0.32718841 0.23991182 0.17846839
0.30863590 0.24018417 0.29954884
0.80408534 0.75410537 0.92417266
0.62339175 0.75188095 0.81505230
0.56774261 0.62616368 0.69521640
0.80770206 0.86808500 0.61613641
0.89507361 0.96251416 0.72256061
0.05726680 0.91290637 0.75718233
0.12694910 0.64971880 -0.00005076
0.77601138 0.75382131 0.10681503
0.90935144 0.38569767 0.19016745
0.46750248 0.62701775 0.97044716
0.18408139 0.77573600 0.87167763
0.95076011 0.64305617 0.03497017
0.75179502 0.87936169 0.79358386
0.60109164 0.53102871 0.50307642
0.82030809 0.76018086 0.43527305
0.08195420 0.69409628 0.96430646
0.71504647 0.63097719 0.44510958
No title
1
14.825434 0.265183 -0.061506
0.261546 13.158803 -0.203178
-0.060154 -0.194634 14.427691
C H O N
43 30 7 2
Direct configuration= 139
0.75142230 0.56592573 0.37291224
0.76543386 0.46173299 0.38777567
0.81650084 0.40215765 0.32504864
0.78310726 0.60857011 0.29227398
0.83526607 0.54898054 0.23008966
0.85397562 0.44677936 0.24828164
0.00210039 0.39181758 0.20382930
0.05474180 0.30454200 0.18150571
0.14817704 0.30451770 0.19433303
0.04367768 0.47960361 0.23668673
0.13709724 0.47795948 0.24850401
0.19178345 0.39060485 0.22908078
0.29493401 0.39147718 0.24419083
0.33686038 0.45437858 0.16806293
0.33935754 0.56078742 0.17726869
0.38048712 0.61860130 0.11138415
0.37378974 0.40886635 0.08704019
0.41592068 0.46550847 0.02059865
0.42116133 0.57033120 0.03415476
0.54942144 0.66172366 0.00523223
0.55527935 0.76255375 0.03694547
0.63712666 0.79553939 0.07369030
0.62484005 0.59480747 0.00663729
0.70627481 0.62855817 0.04254785
0.71232633 0.72850182 0.07716852
0.31667396 0.43793993 0.34131015
0.33762900 0.28302707 0.24358742
0.10680485 0.76163704 0.89579707
0.98896040 0.69310852 -0.02228900
0.94898310 0.76493114 0.90887319
0.85924785 0.78813848 0.88823376
0.84191490 0.85777402 0.81814153
0.71894451 0.81519220 0.72320064
0.65020250 0.74967659 0.74471844
0.61892349 0.67961192 0.67804968
0.65854809 0.67686978 0.59099691
0.65016446 0.60317448 0.51155161
0.76086103 0.71880053 0.47648166
0.72463787 0.74504389 0.56995106
0.75551445 0.81628125 0.63390390
0.91207675 0.90547352 0.77381633
0.00242436 0.87909822 0.79393640
0.01981277 0.80747238 0.86126819
0.82969465 0.32142373 0.33644684
0.73820631 0.42831172 0.44913002
0.76924078 0.68865022 0.27977958
0.86360189 0.58216071 0.16899320
0.18690251 0.23440643 0.17769948
0.02173137 0.23663428 0.15552354
0.00400137 0.54892748 0.25306707
0.16737195 0.54785707 0.27371401
0.38318322 0.70086559 0.12078076
0.31005285 0.60044895 0.23785376
0.37212498 0.32681006 0.07541898
0.44648825 0.42843488 0.95931433
0.64175122 0.87354413 0.10009367
0.49585473 0.81368594 0.03398696
0.61859414 0.51654520 0.98139548
0.76533419 0.57655938 0.04331555
0.39016276 0.43874674 0.35184772
0.28799854 0.39132132 0.39487132
0.28931265 0.51584768 0.35252879
0.41072166 0.28683622 0.25568957
0.32718176 0.23982229 0.17849651
0.30866259 0.24006967 0.29954238
0.80407131 0.75402654 0.92413011
0.62332219 0.75192996 0.81504383
0.56764218 0.62624631 0.69518175
0.80780174 0.86809711 0.61621898
0.89507725 0.96257469 0.72259354
0.05728599 0.91305279 0.75725565
0.12707839 0.64991956 -0.00001955
0.77594608 0.75385776 0.10676750
0.90936244 0.38565211 0.19015901
0.46750382 0.62702364 0.97043756
0.18420803 0.77586882 0.87175747
0.95081904 0.64289939 0.03498763
0.75179458 0.87934538 0.79359776
0.60106827 0.53102773 0.50304229
0.82039276 0.76022297 0.43532965
0.08200308 0.69420992 0.96433828
0.71510748 0.63098034 0.44517390
No title
1
14.821227 0.265923 -0.058454
0.262278 13.147782 -0.204414
-0.057130 -0.195790 14.434168
C H O N
43 30 7 2
Direct configuration= 140
0.75145725 0.56600445 0.37287830
0.76562639 0.46175510 0.38789276
0.81670059 0.40210504 0.32509930
0.78290336 0.60862450 0.29215468
0.83506035 0.54894716 0.22992417
0.85389362 0.44679039 0.24827797
0.00212256 0.39166705 0.20382141
0.05477756 0.30437850 0.18142252
0.14823561 0.30432056 0.19434937
0.04358150 0.47937158 0.23694498
0.13704416 0.47769179 0.24883986
0.19181897 0.39042767 0.22914071
0.29492853 0.39132014 0.24425054
0.33675083 0.45428705 0.16811658
0.33936771 0.56075439 0.17732441
0.38051322 0.61866316 0.11141568
0.37351860 0.40885038 0.08698906
0.41566069 0.46552058 0.02046327
0.42103409 0.57040296 0.03414849
0.54937172 0.66181885 0.00506552
0.55521662 0.76277812 0.03675562
0.63703724 0.79577016 0.07341594
0.62478011 0.59485049 0.00647990
0.70622604 0.62867504 0.04231607
0.71221030 0.72865399 0.07705667
0.31665737 0.43782753 0.34125810
0.33767850 0.28281163 0.24360471
0.10703958 0.76180594 0.89583966
0.98894380 0.69295778 -0.02219142
0.94916178 0.76469396 0.90877910
0.85923842 0.78797909 0.88818999
0.84194896 0.85767223 0.81809296
0.71905096 0.81502338 0.72313141
0.65013700 0.74970290 0.74474444
0.61886956 0.67969170 0.67805346
0.65850650 0.67696846 0.59104499
0.65024270 0.60313622 0.51151795
0.76100530 0.71886679 0.47652804
0.72478146 0.74510485 0.57000353
0.75563727 0.81626984 0.63405474
0.91198708 0.90559224 0.77392278
0.00247061 0.87932158 0.79400875
0.01988319 0.80759979 0.86131101
0.83011460 0.32135902 0.33657725
0.73866121 0.42833536 0.44938652
0.76886917 0.68871399 0.27950294
0.86327277 0.58208842 0.16875563
0.18692457 0.23410456 0.17762416
0.02180989 0.23647925 0.15531060
0.00386474 0.54864506 0.25345008
0.16733122 0.54760341 0.27419749
0.38342417 0.70095357 0.12097491
0.31025833 0.60040606 0.23804255
0.37186543 0.32672578 0.07532640
0.44619376 0.42843034 0.95920405
0.64155841 0.87392919 0.09993348
0.49568217 0.81390193 0.03377718
0.61842783 0.51658727 0.98123129
0.76525953 0.57680335 0.04326289
0.39019556 0.43886220 0.35176923
0.28804738 0.39115830 0.39482574
0.28919014 0.51577132 0.35239378
0.41081364 0.28665484 0.25553858
0.32717350 0.23958460 0.17856408
0.30875293 0.23974255 0.29953437
0.80403219 0.75379747 0.92400661
0.62317233 0.75207627 0.81497695
0.56734141 0.62645692 0.69510792
0.80808965 0.86810366 0.61642842
0.89510198 0.96270508 0.72267695
0.05732677 0.91345125 0.75747765
0.12743851 0.65047654 0.00007326
0.77575882 0.75395084 0.10660137
0.90938764 0.38557318 0.19016251
0.46744308 0.62703545 0.97036759
0.18433356 0.77621736 0.87201972
0.95102782 0.64259841 0.03490469
0.75182084 0.87933132 0.79363309
0.60098849 0.53101086 0.50296267
0.82060813 0.76034010 0.43548403
0.08214301 0.69453657 0.96441327
0.71526345 0.63096541 0.44533922
No title
1
14.819441 0.266237 -0.057159
0.262589 13.143105 -0.204939
-0.055846 -0.196281 14.436917
C H O N
43 30 7 2
Direct configuration= 141
0.75147209 0.56603788 0.37286390
0.76570810 0.46176449 0.38794241
0.81678538 0.40208269 0.32512078
0.78281682 0.60864760 0.29210409
0.83497304 0.54893298 0.22985399
0.85385881 0.44679508 0.24827643
0.00213198 0.39160311 0.20381806
0.05479275 0.30430905 0.18138722
0.14826048 0.30423682 0.19435629
0.04354066 0.47927304 0.23705452
0.13702161 0.47757811 0.24898231
0.19183404 0.39035241 0.22916612
0.29492619 0.39125345 0.24427586
0.33670432 0.45424818 0.16813933
0.33937202 0.56074037 0.17734804
0.38052430 0.61868943 0.11142905
0.37340351 0.40884360 0.08696740
0.41555035 0.46552573 0.02040586
0.42098008 0.57043344 0.03414584
0.54935063 0.66185928 0.00499481
0.55519000 0.76287341 0.03667511
0.63699930 0.79586817 0.07329958
0.62475468 0.59486876 0.00641315
0.70620536 0.62872467 0.04221777
0.71216106 0.72871862 0.07700925
0.31665033 0.43777978 0.34123602
0.33769952 0.28272012 0.24361203
0.10713922 0.76187767 0.89585771
0.98893675 0.69289377 -0.02215003
0.94923764 0.76459322 0.90873916
0.85923443 0.78791140 0.88817142
0.84196343 0.85762899 0.81807236
0.71909616 0.81495167 0.72310203
0.65010919 0.74971408 0.74475548
0.61884667 0.67972558 0.67805507
0.65848883 0.67701038 0.59106539
0.65027591 0.60311997 0.51150366
0.76106654 0.71889494 0.47654770
0.72484240 0.74513074 0.57002577
0.75568939 0.81626500 0.63411871
0.91194900 0.90564267 0.77396795
0.00249024 0.87941644 0.79403945
0.01991308 0.80765390 0.86132917
0.83029284 0.32133153 0.33663252
0.73885429 0.42834539 0.44949528
0.76871145 0.68874107 0.27938563
0.86313309 0.58205772 0.16865489
0.18693395 0.23397634 0.17759219
0.02184324 0.23641339 0.15522027
0.00380671 0.54852512 0.25361254
0.16731390 0.54749569 0.27440256
0.38352643 0.70099094 0.12105724
0.31034554 0.60038785 0.23812260
0.37175527 0.32669000 0.07528715
0.44606876 0.42842841 0.95915730
0.64147658 0.87409272 0.09986556
0.49560894 0.81399367 0.03368821
0.61835725 0.51660514 0.98116166
0.76522783 0.57690697 0.04324057
0.39020948 0.43891123 0.35173593
0.28806812 0.39108906 0.39480639
0.28913815 0.51573888 0.35233652
0.41085271 0.28657780 0.25547451
0.32717000 0.23948365 0.17859273
0.30879129 0.23960361 0.29953095
0.80401561 0.75370017 0.92395422
0.62310872 0.75213842 0.81494860
0.56721374 0.62654637 0.69507664
0.80821185 0.86810644 0.61651723
0.89511246 0.96276046 0.72271233
0.05734405 0.91362049 0.75757183
0.12759135 0.65071310 0.00011262
0.77567934 0.75399037 0.10653092
0.90939834 0.38553966 0.19016399
0.46741730 0.62704047 0.97033791
0.18438680 0.77636540 0.87213097
0.95111646 0.64247058 0.03486948
0.75183198 0.87932535 0.79364808
0.60095462 0.53100369 0.50292890
0.82069953 0.76038985 0.43554950
0.08220239 0.69467530 0.96444508
0.71532965 0.63095906 0.44540933
No title
1
14.816623 0.266643 -0.055237
0.262993 13.136353 -0.205317
-0.053945 -0.196563 14.441537
C H O N
43 30 7 2
Direct configuration= 142
0.75145910 0.56612471 0.37295131
0.76583873 0.46178549 0.38798496
0.81687770 0.40203898 0.32514879
0.78269203 0.60863388 0.29205562
0.83482987 0.54890101 0.22973887
0.85389439 0.44671382 0.24823665
0.00209350 0.39148852 0.20378395
0.05484743 0.30421614 0.18133730
0.14828769 0.30405807 0.19432969
0.04355635 0.47911222 0.23722238
0.13700932 0.47744857 0.24918568
0.19184397 0.39022412 0.22917223
0.29493827 0.39115990 0.24431171
0.33663192 0.45422785 0.16813982
0.33940013 0.56077805 0.17738666
0.38055493 0.61869031 0.11148217
0.37326974 0.40878191 0.08692318
0.41536633 0.46555609 0.02038171
0.42090339 0.57047172 0.03413522
0.54929359 0.66197094 0.00490655
0.55511330 0.76298307 0.03654344
0.63693692 0.79601713 0.07314417
0.62468835 0.59493061 0.00635148
0.70619290 0.62883556 0.04207229
0.71210617 0.72881283 0.07690842
0.31665091 0.43771909 0.34121091
0.33772105 0.28257986 0.24362926
0.10726779 0.76199611 0.89590261
0.98901053 0.69276984 -0.02213698
0.94925393 0.76449238 0.90867723
0.85932072 0.78779522 0.88814879
0.84194709 0.85758187 0.81807783
0.71914314 0.81495592 0.72322316
0.65004201 0.74975260 0.74479918
0.61872337 0.67974672 0.67807927
0.65851225 0.67703500 0.59103970
0.65032058 0.60311747 0.51149955
0.76115147 0.71894353 0.47661734
0.72492217 0.74515078 0.57006272
0.75582301 0.81629663 0.63417352
0.91197707 0.90572595 0.77395252
0.00246039 0.87957771 0.79412047
0.01990887 0.80770853 0.86134359
0.83056053 0.32130117 0.33669400
0.73912101 0.42834743 0.44966774
0.76851600 0.68880712 0.27922686
0.86294060 0.58199427 0.16849885
0.18693593 0.23383441 0.17754847
0.02188801 0.23630902 0.15509454
0.00371045 0.54838045 0.25386875
0.16727611 0.54732419 0.27470622
0.38367151 0.70107024 0.12118030
0.31049669 0.60036182 0.23820973
0.37159337 0.32663915 0.07522720
0.44587998 0.42842303 0.95908060
0.64136925 0.87432026 0.09975248
0.49551069 0.81411227 0.03354655
0.61826282 0.51658694 0.98103063
0.76521880 0.57703323 0.04321490
0.39019965 0.43899758 0.35170521
0.28810062 0.39098857 0.39478951
0.28905816 0.51567084 0.35225580
0.41088768 0.28642873 0.25538335
0.32717545 0.23933301 0.17861442
0.30887326 0.23939091 0.29953393
0.80398996 0.75353861 0.92387067
0.62305164 0.75224605 0.81488124
0.56702066 0.62667709 0.69504079
0.80837061 0.86804867 0.61665160
0.89512589 0.96281142 0.72276396
0.05736683 0.91387942 0.75772502
0.12780550 0.65107725 0.00017649
0.77560557 0.75406996 0.10641752
0.90937100 0.38553572 0.19018412
0.46729854 0.62704806 0.97025814
0.18445327 0.77660334 0.87227143
0.95119907 0.64230163 0.03481506
0.75185621 0.87930613 0.79362184
0.60093627 0.53102429 0.50288782
0.82081403 0.76045287 0.43562775
0.08231741 0.69481097 0.96455287
0.71543492 0.63092929 0.44542587
No title
1
14.814079 0.267010 -0.053503
0.263357 13.130262 -0.205658
-0.052231 -0.196817 14.445705
C H O N
43 30 7 2
Direct configuration= 143
0.75144736 0.56620309 0.37303015
0.76595660 0.46180444 0.38802331
0.81696100 0.40199952 0.32517404
0.78257944 0.60862150 0.29201192
0.83470069 0.54887217 0.22963505
0.85392650 0.44664047 0.24820077
0.00205878 0.39138508 0.20375319
0.05489678 0.30413227 0.18129227
0.14831226 0.30389672 0.19430569
0.04357049 0.47896705 0.23737376
0.13699821 0.47733164 0.24936909
0.19185293 0.39010831 0.22917774
0.29494917 0.39107547 0.24434404
0.33656660 0.45420949 0.16814027
0.33942550 0.56081207 0.17742149
0.38058255 0.61869110 0.11153008
0.37314905 0.40872623 0.08688331
0.41520028 0.46558350 0.02035996
0.42083418 0.57050628 0.03412565
0.54924213 0.66207174 0.00482696
0.55504411 0.76308206 0.03642469
0.63688063 0.79615159 0.07300402
0.62462851 0.59498644 0.00629586
0.70618168 0.62893565 0.04194109
0.71205664 0.72889788 0.07681750
0.31665143 0.43766430 0.34118825
0.33774047 0.28245325 0.24364479
0.10738380 0.76210301 0.89594308
0.98907711 0.69265797 -0.02212522
0.94926865 0.76440135 0.90862138
0.85939860 0.78769035 0.88812837
0.84193234 0.85753933 0.81808276
0.71918551 0.81495975 0.72333240
0.64998138 0.74978738 0.74483860
0.61861212 0.67976580 0.67810111
0.65853337 0.67705721 0.59101653
0.65036089 0.60311521 0.51149585
0.76122811 0.71898740 0.47668013
0.72499415 0.74516888 0.57009603
0.75594358 0.81632518 0.63422294
0.91200239 0.90580112 0.77393860
0.00243344 0.87972327 0.79419355
0.01990507 0.80775784 0.86135659
0.83080206 0.32127376 0.33674941
0.73936166 0.42834926 0.44982324
0.76833965 0.68886674 0.27908368
0.86276692 0.58193701 0.16835814
0.18693772 0.23370630 0.17750903
0.02192842 0.23621480 0.15498114
0.00362356 0.54824986 0.25409982
0.16724198 0.54716938 0.27498008
0.38380241 0.70114182 0.12129127
0.31063308 0.60033831 0.23828828
0.37144728 0.32659326 0.07517315
0.44570964 0.42841818 0.95901145
0.64127241 0.87452565 0.09965052
0.49542205 0.81421932 0.03341880
0.61817762 0.51657051 0.98091246
0.76521065 0.57714720 0.04319175
0.39019078 0.43907552 0.35167750
0.28812995 0.39089786 0.39477429
0.28898600 0.51560943 0.35218301
0.41091925 0.28629416 0.25530112
0.32718037 0.23919704 0.17863397
0.30894723 0.23919891 0.29953660
0.80396683 0.75339278 0.92379532
0.62300013 0.75234321 0.81482049
0.56684644 0.62679508 0.69500848
0.80851386 0.86799652 0.61677277
0.89513799 0.96285743 0.72281053
0.05738736 0.91411314 0.75786318
0.12799872 0.65140594 0.00023407
0.77553902 0.75414181 0.10631525
0.90934633 0.38553216 0.19020228
0.46719138 0.62705492 0.97018620
0.18451323 0.77681812 0.87239811
0.95127362 0.64214913 0.03476597
0.75187808 0.87928878 0.79359817
0.60091972 0.53104288 0.50285078
0.82091734 0.76050974 0.43569831
0.08242118 0.69493342 0.96465007
0.71552992 0.63090242 0.44544078
No title
1
14.811811 0.267009 -0.051243
0.263409 13.123404 -0.205242
-0.050012 -0.196227 14.450504
C H O N
43 30 7 2
Direct configuration= 144
0.75146990 0.56623191 0.37309713
0.76608391 0.46181081 0.38809265
0.81704226 0.40197381 0.32518867
0.78243882 0.60862299 0.29197508
0.83453980 0.54879244 0.22954366
0.85396327 0.44656940 0.24817464
0.00204090 0.39127712 0.20372897
0.05490821 0.30399771 0.18121379
0.14834311 0.30374563 0.19426201
0.04356917 0.47882758 0.23755407
0.13701642 0.47718641 0.24955517
0.19185531 0.38994749 0.22918470
0.29497409 0.39098066 0.24436169
0.33650971 0.45419869 0.16810131
0.33947190 0.56083805 0.17746525
0.38063610 0.61875424 0.11161582
0.37302515 0.40868145 0.08685729
0.41501663 0.46557115 0.02033966
0.42075442 0.57054724 0.03410246
0.54911672 0.66216408 0.00472186
0.55493336 0.76322897 0.03628886
0.63680169 0.79634004 0.07287712
0.62456170 0.59503494 0.00623339
0.70613664 0.62904571 0.04179112
0.71199391 0.72904160 0.07667160
0.31665048 0.43760405 0.34117390
0.33775941 0.28229307 0.24364136
0.10731265 0.76224608 0.89605155
0.98925938 0.69257309 -0.02221845
0.94930150 0.76430071 0.90859438
0.85941062 0.78757266 0.88807795
0.84197941 0.85752966 0.81810630
0.71921337 0.81501350 0.72344292
0.64991873 0.74982898 0.74480666
0.61850316 0.67983366 0.67805617
0.65854666 0.67704354 0.59104985
0.65039584 0.60313679 0.51150319
0.76133455 0.71903142 0.47675815
0.72507491 0.74519943 0.57017262
0.75604029 0.81630867 0.63432735
0.91201822 0.90582952 0.77393005
0.00242856 0.87989273 0.79430725
0.01990511 0.80778289 0.86136120
0.83108365 0.32123654 0.33680497
0.73964484 0.42836014 0.44997337
0.76817260 0.68890696 0.27894397
0.86257012 0.58185785 0.16819161
0.18695796 0.23354627 0.17745264
0.02197825 0.23610151 0.15485754
0.00353954 0.54809279 0.25438097
0.16720117 0.54700222 0.27531194
0.38394787 0.70120791 0.12141809
0.31080197 0.60033605 0.23837329
0.37127609 0.32650428 0.07510164
0.44548821 0.42842953 0.95895306
0.64117111 0.87471800 0.09950520
0.49532707 0.81433559 0.03326097
0.61809464 0.51656114 0.98077074
0.76524791 0.57723517 0.04316024
0.39016533 0.43917237 0.35165953
0.28816951 0.39079789 0.39476235
0.28889172 0.51553704 0.35211080
0.41094671 0.28610673 0.25521320
0.32719478 0.23903906 0.17864560
0.30905278 0.23897132 0.29954934
0.80398060 0.75322271 0.92368525
0.62293974 0.75246855 0.81479705
0.56661356 0.62690084 0.69498573
0.80870233 0.86792347 0.61690299
0.89513872 0.96292642 0.72282932
0.05739385 0.91438443 0.75805028
0.12825696 0.65174275 0.00035601
0.77551822 0.75425695 0.10619788
0.90931715 0.38549365 0.19017274
0.46703275 0.62708749 0.97009768
0.18469783 0.77710669 0.87248436
0.95129962 0.64195992 0.03473484
0.75191418 0.87929320 0.79359764
0.60092747 0.53108850 0.50281525
0.82100720 0.76056178 0.43577202
0.08251948 0.69506605 0.96476028
0.71560690 0.63095177 0.44547634
No title
1
14.810215 0.267008 -0.049653
0.263446 13.118582 -0.204950
-0.048452 -0.195812 14.453878
C H O N
43 30 7 2
Direct configuration= 145
0.75148575 0.56625219 0.37314422
0.76617343 0.46181529 0.38814137
0.81709940 0.40195573 0.32519894
0.78233994 0.60862404 0.29194919
0.83442666 0.54873636 0.22947945
0.85398913 0.44651940 0.24815626
0.00202834 0.39120116 0.20371194
0.05491626 0.30390305 0.18115863
0.14836481 0.30363934 0.19423131
0.04356823 0.47872946 0.23768082
0.13702920 0.47708423 0.24968597
0.19185698 0.38983436 0.22918960
0.29499162 0.39091395 0.24437410
0.33646972 0.45419109 0.16807394
0.33950452 0.56085634 0.17749600
0.38067375 0.61879866 0.11167608
0.37293802 0.40864995 0.08683901
0.41488748 0.46556245 0.02032542
0.42069834 0.57057605 0.03408616
0.54902853 0.66222905 0.00464800
0.55485549 0.76333233 0.03619339
0.63674618 0.79647262 0.07278792
0.62451471 0.59506906 0.00618948
0.70610498 0.62912314 0.04168571
0.71194981 0.72914271 0.07656905
0.31664982 0.43756167 0.34116381
0.33777272 0.28218038 0.24363895
0.10726261 0.76234672 0.89612779
0.98938757 0.69251337 -0.02228400
0.94932461 0.76422991 0.90857541
0.85941908 0.78748986 0.88804251
0.84201251 0.85752285 0.81812283
0.71923295 0.81505131 0.72352060
0.64987467 0.74985824 0.74478422
0.61842655 0.67988141 0.67802460
0.65855600 0.67703391 0.59107327
0.65042043 0.60315197 0.51150834
0.76140939 0.71906238 0.47681297
0.72513170 0.74522092 0.57022645
0.75610828 0.81629705 0.63440073
0.91202935 0.90584950 0.77392404
0.00242511 0.88001194 0.79438717
0.01990513 0.80780052 0.86136444
0.83128167 0.32121036 0.33684400
0.73984396 0.42836779 0.45007887
0.76805513 0.68893526 0.27884578
0.86243174 0.58180218 0.16807458
0.18697221 0.23343368 0.17741301
0.02201331 0.23602181 0.15477066
0.00348043 0.54798229 0.25457860
0.16717243 0.54688461 0.27554521
0.38405016 0.70125440 0.12150722
0.31092073 0.60033445 0.23843303
0.37115570 0.32644168 0.07505139
0.44533250 0.42843752 0.95891204
0.64109989 0.87485332 0.09940307
0.49526030 0.81441738 0.03315004
0.61803629 0.51655455 0.98067113
0.76527412 0.57729706 0.04313809
0.39014743 0.43924051 0.35164689
0.28819732 0.39072757 0.39475396
0.28882543 0.51548612 0.35206005
0.41096603 0.28597487 0.25515141
0.32720492 0.23892792 0.17865377
0.30912701 0.23881121 0.29955829
0.80399030 0.75310307 0.92360788
0.62289726 0.75255672 0.81478058
0.56644980 0.62697524 0.69496976
0.80883485 0.86787208 0.61699451
0.89513923 0.96297495 0.72284253
0.05739839 0.91457528 0.75818178
0.12843855 0.65197970 0.00044169
0.77550361 0.75433796 0.10611537
0.90929663 0.38546655 0.19015198
0.46692120 0.62711040 0.97003548
0.18482763 0.77730970 0.87254497
0.95131791 0.64182682 0.03471296
0.75193956 0.87929631 0.79359726
0.60093292 0.53112059 0.50279027
0.82107039 0.76059839 0.43582382
0.08258859 0.69515935 0.96483773
0.71566102 0.63098649 0.44550134
No title
1
14.808233 0.266743 -0.047761
0.263244 13.113518 -0.204123
-0.046602 -0.194811 14.457111
C H O N
43 30 7 2
Direct configuration= 146
0.75152710 0.56624758 0.37315898
0.76626901 0.46180253 0.38820507
0.81715967 0.40193702 0.32521298
0.78224041 0.60862510 0.29191749
0.83430218 0.54867873 0.22942439
0.85398961 0.44649162 0.24815258
0.00204030 0.39112723 0.20370748
0.05490858 0.30379912 0.18109184
0.14837595 0.30354400 0.19418727
0.04355070 0.47863860 0.23781374
0.13703792 0.47696546 0.24980651
0.19186635 0.38971511 0.22920872
0.29501039 0.39084115 0.24437371
0.33643693 0.45417669 0.16804621
0.33954910 0.56086227 0.17752944
0.38073152 0.61886543 0.11173254
0.37284613 0.40861729 0.08682958
0.41476441 0.46554499 0.02029823
0.42062651 0.57060459 0.03407725
0.54891652 0.66227796 0.00456311
0.55477997 0.76344709 0.03609746
0.63666961 0.79660784 0.07269706
0.62445282 0.59509300 0.00612851
0.70606764 0.62918118 0.04158024
0.71190600 0.72928342 0.07644668
0.31664130 0.43751601 0.34115035
0.33778898 0.28205572 0.24362332
0.10731699 0.76250563 0.89617379
0.98947280 0.69240471 -0.02230682
0.94935865 0.76415483 0.90856608
0.85940096 0.78740574 0.88799241
0.84206661 0.85752699 0.81814245
0.71923936 0.81508567 0.72354971
0.64983248 0.74990116 0.74473809
0.61834697 0.67994358 0.67797018
0.65856851 0.67702054 0.59111828
0.65044865 0.60319351 0.51152194
0.76148444 0.71908553 0.47688177
0.72518620 0.74523461 0.57030638
0.75615882 0.81626602 0.63450634
0.91203297 0.90585328 0.77392972
0.00244693 0.88013021 0.79447518
0.01991015 0.80781049 0.86136976
0.83148723 0.32118307 0.33688362
0.74005731 0.42837913 0.45017460
0.76794723 0.68894402 0.27875853
0.86227974 0.58173231 0.16796243
0.18700126 0.23330026 0.17736306
0.02204566 0.23592237 0.15467694
0.00343170 0.54785824 0.25479438
0.16714640 0.54677026 0.27580072
0.38415612 0.70130458 0.12160225
0.31104769 0.60034877 0.23850079
0.37102682 0.32636249 0.07499662
0.44515397 0.42845335 0.95888042
0.64102994 0.87498728 0.09928604
0.49518070 0.81451490 0.03302836
0.61798542 0.51656718 0.98057175
0.76530561 0.57735320 0.04310696
0.39012994 0.43931300 0.35163961
0.28822899 0.39065424 0.39474798
0.28874769 0.51543855 0.35201571
0.41098761 0.28582217 0.25509033
0.32721826 0.23880899 0.17865816
0.30921178 0.23864165 0.29957085
0.80401272 0.75297232 0.92351907
0.62284857 0.75265072 0.81477830
0.56627419 0.62705077 0.69495374
0.80898449 0.86781214 0.61708698
0.89513395 0.96303245 0.72284140
0.05739661 0.91477765 0.75833466
0.12864150 0.65220856 0.00055871
0.77550265 0.75443686 0.10602268
0.90928981 0.38540880 0.19009520
0.46680368 0.62715298 0.96997385
0.18483833 0.77751065 0.87263732
0.95136724 0.64174323 0.03462421
0.75197643 0.87932268 0.79363297
0.60093991 0.53114700 0.50276503
0.82113893 0.76064204 0.43586800
0.08266896 0.69525835 0.96490611
0.71569416 0.63106561 0.44555274
No title
1
14.802587 0.265988 -0.042371
0.262668 13.099097 -0.201767
-0.041334 -0.191960 14.466317
C H O N
43 30 7 2
Direct configuration= 147
0.75164487 0.56623443 0.37320100
0.76654122 0.46176618 0.38838641
0.81733131 0.40188369 0.32525295
0.78195694 0.60862810 0.29182728
0.83394765 0.54851456 0.22926770
0.85399096 0.44641247 0.24814211
0.00207439 0.39091660 0.20369476
0.05488674 0.30350305 0.18090168
0.14840768 0.30327239 0.19406189
0.04350072 0.47837973 0.23819220
0.13706271 0.47662705 0.25014974
0.19189301 0.38937539 0.22926316
0.29506388 0.39063375 0.24437261
0.33634355 0.45413567 0.16796727
0.33967607 0.56087918 0.17762462
0.38089603 0.61905566 0.11189326
0.37258442 0.40852424 0.08680279
0.41441387 0.46549523 0.02022088
0.42042194 0.57068591 0.03405189
0.54859750 0.66241732 0.00432148
0.55456492 0.76377405 0.03582433
0.63645156 0.79699312 0.07243836
0.62427655 0.59516120 0.00595494
0.70596133 0.62934654 0.04127994
0.71178126 0.72968433 0.07609825
0.31661703 0.43738593 0.34111204
0.33783527 0.28170057 0.24357883
0.10747185 0.76295836 0.89630472
0.98971555 0.69209513 -0.02237180
0.94945560 0.76394092 0.90853954
0.85934938 0.78716610 0.88784981
0.84222069 0.85753877 0.81819829
0.71925763 0.81518358 0.72363258
0.64971232 0.75002343 0.74460677
0.61812033 0.68012070 0.67781526
0.65860415 0.67698243 0.59124641
0.65052904 0.60331187 0.51156064
0.76169817 0.71915147 0.47707763
0.72534140 0.74527361 0.57053395
0.75630274 0.81617758 0.63480702
0.91204329 0.90586403 0.77394588
0.00250904 0.88046713 0.79472576
0.01992443 0.80783888 0.86138489
0.83207271 0.32110533 0.33699637
0.74066494 0.42841144 0.45044707
0.76763995 0.68896899 0.27851014
0.86184683 0.58153328 0.16764320
0.18708401 0.23292018 0.17722084
0.02213786 0.23563909 0.15441010
0.00329284 0.54750478 0.25540878
0.16707220 0.54644443 0.27652825
0.38445790 0.70144755 0.12187277
0.31140926 0.60038956 0.23869367
0.37065976 0.32613687 0.07484072
0.44464548 0.42849843 0.95879048
0.64083077 0.87536896 0.09895284
0.49495401 0.81479273 0.03268192
0.61784055 0.51660319 0.98028882
0.76539531 0.57751316 0.04301831
0.39008014 0.43951954 0.35161887
0.28831919 0.39044534 0.39473094
0.28852626 0.51530303 0.35188949
0.41104909 0.28538712 0.25491644
0.32725627 0.23847017 0.17867066
0.30945320 0.23815856 0.29960659
0.80407663 0.75259986 0.92326623
0.62270990 0.75291853 0.81477180
0.56577403 0.62726593 0.69490817
0.80941069 0.86764136 0.61735021
0.89511892 0.96319628 0.72283816
0.05739150 0.91535415 0.75876992
0.12921950 0.65286055 0.00089177
0.77549997 0.75471865 0.10575877
0.90927040 0.38524426 0.18993354
0.46646898 0.62727430 0.96979842
0.18486878 0.77808315 0.87290024
0.95150779 0.64150512 0.03437151
0.75208145 0.87939780 0.79373464
0.60095982 0.53122223 0.50269317
0.82133414 0.76076641 0.43599374
0.08289783 0.69554038 0.96510073
0.71578853 0.63129103 0.44569908
No title
1
14.800227 0.265997 -0.040977
0.262721 13.093331 -0.200838
-0.039975 -0.190823 14.469812
C H O N
43 30 7 2
Direct configuration= 148
0.75168826 0.56626292 0.37321411
0.76667468 0.46172952 0.38843613
0.81741444 0.40182498 0.32531388
0.78188625 0.60859846 0.29175870
0.83380869 0.54852319 0.22919572
0.85394911 0.44638158 0.24812379
0.00209429 0.39082799 0.20370632
0.05490473 0.30342381 0.18083457
0.14839511 0.30314042 0.19398129
0.04348686 0.47826719 0.23832617
0.13702854 0.47650939 0.25027136
0.19192049 0.38926937 0.22931790
0.29507673 0.39053328 0.24436210
0.33631614 0.45409264 0.16799903
0.33974925 0.56089095 0.17766472
0.38097939 0.61907181 0.11192066
0.37248405 0.40844020 0.08676732
0.41428956 0.46552430 0.02019378
0.42031355 0.57070716 0.03406159
0.54851084 0.66247567 0.00423740
0.55449817 0.76385149 0.03571238
0.63634587 0.79709935 0.07231657
0.62417323 0.59520092 0.00585326
0.70593204 0.62939712 0.04119584
0.71175122 0.72984099 0.07593981
0.31659142 0.43733355 0.34107152
0.33786722 0.28155629 0.24355219
0.10754401 0.76315502 0.89635594
0.98975217 0.69203390 -0.02241159
0.94944265 0.76385511 0.90851057
0.85943156 0.78706821 0.88779504
0.84221965 0.85752076 0.81821625
0.71925022 0.81521262 0.72363581
0.64963048 0.75010026 0.74460349
0.61797998 0.68016492 0.67781823
0.65864789 0.67699239 0.59126050
0.65053904 0.60337237 0.51159745
0.76177398 0.71919396 0.47718540
0.72539630 0.74524188 0.57064209
0.75641031 0.81617786 0.63488388
0.91209940 0.90592391 0.77394234
0.00252865 0.88055748 0.79482156
0.01996338 0.80787188 0.86140564
0.83228721 0.32108245 0.33704298
0.74089548 0.42840916 0.45056225
0.76753440 0.68895800 0.27844221
0.86165094 0.58142950 0.16756170
0.18712780 0.23276655 0.17715282
0.02214767 0.23547711 0.15428823
0.00325505 0.54736950 0.25566749
0.16704884 0.54630970 0.27681954
0.38457982 0.70154989 0.12198412
0.31155235 0.60042286 0.23877894
0.37050974 0.32605795 0.07478914
0.44443493 0.42850803 0.95874319
0.64075592 0.87554570 0.09881948
0.49483270 0.81494522 0.03254088
0.61780173 0.51664300 0.98019225
0.76538792 0.57759050 0.04295835
0.39007497 0.43959598 0.35161532
0.28835275 0.39035513 0.39473168
0.28842360 0.51526520 0.35185861
0.41109026 0.28520231 0.25485314
0.32727013 0.23832590 0.17866486
0.30954852 0.23797384 0.29961701
0.80407120 0.75242500 0.92317758
0.62265724 0.75301213 0.81473110
0.56561614 0.62738896 0.69487081
0.80955925 0.86753656 0.61746207
0.89511197 0.96323943 0.72284388
0.05741136 0.91559978 0.75894691
0.12941557 0.65311498 0.00103584
0.77547914 0.75484766 0.10562554
0.90928026 0.38516900 0.18984774
0.46635449 0.62735450 0.96974406
0.18483860 0.77833356 0.87299817
0.95155426 0.64138759 0.03427737
0.75211504 0.87944805 0.79381210
0.60097106 0.53124334 0.50266744
0.82142892 0.76083223 0.43603042
0.08306888 0.69562074 0.96517181
0.71581041 0.63136806 0.44573939
No title
1
14.797379 0.266008 -0.039293
0.262786 13.086371 -0.199717
-0.038335 -0.189450 14.474030
C H O N
43 30 7 2
Direct configuration= 149
0.75174065 0.56629732 0.37322992
0.76683580 0.46168525 0.38849612
0.81751480 0.40175407 0.32538740
0.78180091 0.60856267 0.29167595
0.83364094 0.54853362 0.22910886
0.85389858 0.44634429 0.24810170
0.00211831 0.39072099 0.20372026
0.05492646 0.30332813 0.18075359
0.14837995 0.30298107 0.19388404
0.04347011 0.47813127 0.23848784
0.13698728 0.47636728 0.25041813
0.19195366 0.38914134 0.22938397
0.29509224 0.39041195 0.24434941
0.33628303 0.45404068 0.16803736
0.33983760 0.56090516 0.17771311
0.38108002 0.61909130 0.11195370
0.37236290 0.40833871 0.08672453
0.41413950 0.46555940 0.02016109
0.42018269 0.57073281 0.03407331
0.54840622 0.66254615 0.00413594
0.55441761 0.76394500 0.03557728
0.63621830 0.79722765 0.07216961
0.62404850 0.59524890 0.00573056
0.70589670 0.62945819 0.04109435
0.71171496 0.73003019 0.07574861
0.31656050 0.43727029 0.34102263
0.33790581 0.28138205 0.24352006
0.10763113 0.76339249 0.89641774
0.98979638 0.69195995 -0.02245961
0.94942703 0.76375149 0.90847563
0.85953077 0.78695002 0.88772894
0.84221840 0.85749900 0.81823793
0.71924126 0.81524769 0.72363970
0.64953168 0.75019303 0.74459954
0.61781054 0.68021832 0.67782184
0.65870070 0.67700443 0.59127750
0.65055112 0.60344544 0.51164186
0.76186550 0.71924526 0.47731543
0.72546257 0.74520355 0.57077259
0.75654017 0.81617818 0.63497662
0.91216714 0.90599622 0.77393805
0.00255231 0.88066658 0.79493716
0.02001041 0.80791174 0.86143066
0.83254616 0.32105482 0.33709920
0.74117378 0.42840640 0.45070122
0.76740699 0.68894473 0.27836026
0.86141447 0.58130418 0.16746337
0.18718067 0.23258104 0.17707075
0.02215952 0.23528152 0.15414118
0.00320941 0.54720612 0.25597970
0.16702062 0.54614696 0.27717106
0.38472701 0.70167346 0.12211848
0.31172508 0.60046307 0.23888181
0.37032864 0.32596265 0.07472692
0.44418075 0.42851963 0.95868616
0.64066557 0.87575914 0.09865853
0.49468626 0.81512938 0.03237068
0.61775487 0.51669108 0.98007572
0.76537900 0.57768390 0.04288600
0.39006873 0.43968828 0.35161102
0.28839327 0.39024619 0.39473257
0.28829965 0.51521952 0.35182136
0.41113996 0.28497915 0.25477675
0.32728685 0.23815168 0.17865787
0.30966360 0.23775077 0.29962960
0.80406467 0.75221386 0.92307061
0.62259368 0.75312515 0.81468198
0.56542552 0.62753754 0.69482574
0.80973858 0.86740999 0.61759705
0.89510359 0.96329153 0.72285078
0.05743532 0.91589637 0.75916047
0.12965226 0.65342221 0.00120966
0.77545399 0.75500346 0.10546476
0.90929217 0.38507813 0.18974420
0.46621628 0.62745136 0.96967846
0.18480216 0.77863593 0.87311634
0.95161038 0.64124566 0.03416377
0.75215558 0.87950874 0.79390555
0.60098463 0.53126883 0.50263639
0.82154333 0.76091171 0.43607468
0.08327537 0.69571777 0.96525755
0.71583681 0.63146107 0.44578801
No title
1
14.795237 0.266202 -0.038532
0.263039 13.079231 -0.199040
-0.037594 -0.188559 14.477601
C H O N
43 30 7 2
Direct configuration= 150
0.75178204 0.56634232 0.37325766
0.76699500 0.46167332 0.38856111
0.81765569 0.40167489 0.32545473
0.78172723 0.60854619 0.29161371
0.83350574 0.54851734 0.22902152
0.85382293 0.44628475 0.24804448
0.00211027 0.39061795 0.20374608
0.05493951 0.30319678 0.18065481
0.14841501 0.30284177 0.19379071
0.04343555 0.47799739 0.23862192
0.13695672 0.47626150 0.25056872
0.19194529 0.38901205 0.22944794
0.29510095 0.39028446 0.24435682
0.33628852 0.45395694 0.16809262
0.33994070 0.56090408 0.17778172
0.38115947 0.61912251 0.11200224
0.37224383 0.40826953 0.08668425
0.41398610 0.46557708 0.02014564
0.42007932 0.57077914 0.03404318
0.54833179 0.66259959 0.00404037
0.55429170 0.76403862 0.03543971
0.63612146 0.79735239 0.07202369
0.62398450 0.59533291 0.00561367
0.70581672 0.62954113 0.04101708
0.71169089 0.73014765 0.07554240
0.31653121 0.43721061 0.34097047
0.33795628 0.28120206 0.24349102
0.10756869 0.76355835 0.89655908
0.98986470 0.69196318 -0.02252932
0.94949952 0.76364933 0.90841016
0.85958592 0.78681534 0.88768460
0.84222514 0.85748921 0.81821752
0.71924215 0.81530341 0.72365159
0.64939544 0.75028286 0.74459823
0.61768795 0.68031337 0.67785258
0.65869585 0.67702318 0.59134928
0.65053922 0.60349046 0.51167281
0.76199199 0.71932886 0.47741149
0.72558256 0.74516922 0.57089221
0.75666937 0.81616861 0.63503536
0.91221116 0.90608706 0.77396957
0.00260365 0.88074872 0.79501371
0.02005215 0.80796251 0.86150092
0.83277926 0.32099792 0.33716692
0.74143156 0.42838548 0.45084280
0.76729701 0.68892209 0.27831172
0.86117318 0.58118704 0.16737912
0.18723153 0.23240899 0.17697591
0.02215931 0.23509033 0.15399772
0.00318181 0.54705546 0.25629650
0.16698802 0.54596566 0.27750229
0.38487447 0.70179007 0.12223971
0.31189940 0.60051190 0.23897667
0.37014870 0.32585888 0.07467252
0.44392966 0.42852559 0.95861048
0.64057254 0.87596604 0.09849015
0.49455014 0.81531722 0.03220549
0.61772189 0.51673812 0.97997265
0.76532759 0.57777490 0.04278447
0.39006360 0.43976732 0.35160326
0.28843096 0.39013557 0.39473011
0.28816535 0.51518226 0.35180203
0.41121362 0.28475742 0.25470664
0.32729963 0.23796856 0.17863947
0.30977046 0.23754816 0.29962714
0.80406565 0.75200295 0.92295792
0.62251928 0.75322269 0.81461778
0.56524994 0.62768663 0.69477035
0.80992218 0.86728038 0.61772362
0.89510084 0.96333159 0.72285913
0.05748335 0.91619299 0.75937536
0.12986659 0.65368803 0.00140821
0.77540031 0.75517918 0.10527288
0.90929103 0.38502279 0.18966306
0.46609021 0.62756400 0.96964790
0.18492253 0.77901133 0.87315555
0.95163739 0.64105664 0.03408667
0.75214241 0.87955138 0.79399266
0.60100110 0.53129732 0.50262119
0.82162341 0.76098162 0.43615736
0.08342316 0.69583461 0.96529626
0.71586743 0.63152435 0.44579935
No title
1
14.793350 0.266373 -0.037861
0.263263 13.072941 -0.198443
-0.036940 -0.187774 14.480748
C H O N
43 30 7 2
Direct configuration= 151
0.75181851 0.56638199 0.37328209
0.76713527 0.46166280 0.38861834
0.81777982 0.40160509 0.32551404
0.78166231 0.60853167 0.29155891
0.83338663 0.54850299 0.22894460
0.85375628 0.44623228 0.24799409
0.00210318 0.39052712 0.20376882
0.05495102 0.30308101 0.18056782
0.14844590 0.30271900 0.19370851
0.04340510 0.47787938 0.23874002
0.13692979 0.47616825 0.25070135
0.19193791 0.38889809 0.22950429
0.29510863 0.39017210 0.24436335
0.33629335 0.45388313 0.16814129
0.34003155 0.56090313 0.17784215
0.38122946 0.61915001 0.11204498
0.37213892 0.40820857 0.08664877
0.41385095 0.46559266 0.02013203
0.41998824 0.57081999 0.03401665
0.54826622 0.66264671 0.00395621
0.55418077 0.76412114 0.03531855
0.63603613 0.79746235 0.07189517
0.62392812 0.59540697 0.00551073
0.70574624 0.62961424 0.04094903
0.71166969 0.73025119 0.07536079
0.31650541 0.43715800 0.34092453
0.33800076 0.28104342 0.24346544
0.10751367 0.76370454 0.89668355
0.98992491 0.69196603 -0.02259072
0.94956340 0.76355929 0.90835250
0.85963452 0.78669663 0.88764555
0.84223108 0.85748058 0.81819955
0.71924292 0.81535253 0.72366207
0.64927541 0.75036203 0.74459707
0.61757994 0.68039715 0.67787966
0.65869156 0.67703970 0.59141249
0.65052873 0.60353014 0.51170007
0.76210344 0.71940254 0.47749608
0.72568826 0.74513895 0.57099756
0.75678319 0.81616017 0.63508709
0.91224994 0.90616712 0.77399732
0.00264888 0.88082111 0.79508112
0.02008892 0.80800726 0.86156279
0.83298464 0.32094776 0.33722656
0.74165868 0.42836702 0.45096749
0.76720012 0.68890214 0.27826898
0.86096060 0.58108380 0.16730494
0.18727635 0.23225736 0.17689240
0.02215913 0.23492183 0.15387138
0.00315748 0.54692264 0.25657551
0.16695928 0.54580583 0.27779401
0.38500438 0.70189285 0.12234648
0.31205297 0.60055492 0.23906021
0.36999016 0.32576742 0.07462462
0.44370844 0.42853085 0.95854385
0.64049057 0.87614842 0.09834185
0.49443022 0.81548280 0.03206001
0.61769284 0.51677958 0.97988188
0.76528229 0.57785510 0.04269505
0.39005909 0.43983698 0.35159642
0.28846418 0.39003807 0.39472795
0.28804702 0.51514942 0.35178501
0.41127852 0.28456199 0.25464490
0.32731089 0.23780717 0.17862327
0.30986461 0.23736957 0.29962498
0.80406653 0.75181705 0.92285869
0.62245372 0.75330867 0.81456124
0.56509524 0.62781804 0.69472158
0.81008394 0.86716613 0.61783509
0.89509842 0.96336690 0.72286649
0.05752565 0.91645442 0.75956460
0.13005541 0.65392230 0.00158305
0.77535301 0.75533408 0.10510388
0.90929003 0.38497401 0.18959159
0.46597914 0.62766329 0.96962098
0.18502857 0.77934221 0.87319007
0.95166119 0.64089005 0.03401878
0.75213080 0.87958897 0.79406937
0.60101562 0.53132243 0.50260780
0.82169395 0.76104322 0.43623017
0.08355336 0.69593759 0.96533034
0.71589440 0.63158013 0.44580934
No title
1
14.791061 0.266687 -0.037384
0.263617 13.066121 -0.197987
-0.036477 -0.187143 14.483295
C H O N
43 30 7 2
Direct configuration= 152
0.75185538 0.56640733 0.37330598
0.76727717 0.46167021 0.38869538
0.81793246 0.40156515 0.32555567
0.78159020 0.60853019 0.29153884
0.83327568 0.54842488 0.22888951
0.85368821 0.44614996 0.24792115
0.00207097 0.39041153 0.20378624
0.05495362 0.30292312 0.18046352
0.14850194 0.30260758 0.19363272
0.04336737 0.47776786 0.23885894
0.13691533 0.47606938 0.25084440
0.19190362 0.38877349 0.22954919
0.29511682 0.39005459 0.24439088
0.33632856 0.45380392 0.16817619
0.34013387 0.56087845 0.17792350
0.38128055 0.61921740 0.11211449
0.37202363 0.40817836 0.08663758
0.41370853 0.46557400 0.02010861
0.41992234 0.57088864 0.03396452
0.54819155 0.66269986 0.00386504
0.55404795 0.76424657 0.03520405
0.63596693 0.79758752 0.07175299
0.62391459 0.59548608 0.00540956
0.70565572 0.62969086 0.04087484
0.71162450 0.73034677 0.07517639
0.31648830 0.43710575 0.34089860
0.33805616 0.28086977 0.24344525
0.10762412 0.76386295 0.89678710
0.98997384 0.69192309 -0.02257925
0.94965870 0.76347075 0.90828091
0.85963060 0.78657559 0.88759727
0.84226619 0.85746800 0.81817387
0.71923591 0.81541011 0.72369087
0.64917229 0.75047199 0.74456998
0.61751206 0.68050968 0.67789315
0.65865841 0.67707137 0.59150935
0.65052996 0.60357254 0.51171270
0.76219534 0.71944540 0.47757164
0.72582427 0.74509914 0.57108674
0.75687644 0.81612982 0.63516042
0.91226282 0.90623613 0.77406483
0.00271234 0.88090169 0.79512296
0.02012045 0.80807628 0.86163756
0.83318849 0.32085297 0.33730372
0.74189062 0.42834247 0.45108999
0.76710429 0.68889981 0.27824028
0.86074645 0.58100299 0.16720303
0.18732243 0.23210857 0.17679292
0.02215915 0.23476749 0.15374531
0.00313797 0.54679373 0.25687137
0.16692713 0.54563608 0.27808995
0.38514145 0.70196950 0.12244548
0.31222051 0.60060042 0.23913814
0.36982372 0.32566526 0.07457583
0.44347372 0.42853705 0.95846628
0.64039990 0.87632194 0.09817407
0.49432262 0.81564465 0.03191092
0.61767071 0.51681800 0.97979392
0.76520594 0.57793180 0.04258008
0.39004317 0.43990033 0.35158146
0.28850035 0.38993842 0.39471395
0.28791896 0.51510933 0.35177454
0.41136106 0.28436111 0.25458171
0.32732022 0.23763111 0.17860254
0.30995616 0.23719235 0.29961025
0.80408585 0.75162578 0.92274593
0.62236081 0.75339307 0.81452147
0.56492852 0.62794558 0.69466849
0.81028108 0.86706748 0.61793892
0.89510260 0.96340912 0.72287116
0.05758683 0.91672326 0.75976668
0.13022157 0.65416022 0.00176584
0.77528833 0.75551098 0.10490326
0.90926347 0.38495427 0.18954109
0.46586817 0.62776382 0.96961206
0.18503632 0.77969986 0.87324346
0.95172101 0.64075442 0.03389569
0.75208219 0.87960249 0.79412588
0.60100937 0.53132485 0.50260351
0.82177878 0.76113017 0.43631755
0.08362439 0.69603662 0.96536789
0.71592635 0.63164096 0.44581838
No title
1
14.786186 0.267357 -0.036368
0.264372 13.051594 -0.197016
-0.035489 -0.185797 14.488722
C H O N
43 30 7 2
Direct configuration= 153
0.75193393 0.56646135 0.37335684
0.76757949 0.46168599 0.38885945
0.81825766 0.40148002 0.32564433
0.78143657 0.60852702 0.29149610
0.83303933 0.54825842 0.22877218
0.85354321 0.44597453 0.24776581
0.00200235 0.39016516 0.20382336
0.05495918 0.30258661 0.18024138
0.14862133 0.30237010 0.19347130
0.04328701 0.47753014 0.23911225
0.13688454 0.47585866 0.25114907
0.19183056 0.38850792 0.22964482
0.29513428 0.38980414 0.24444950
0.33640357 0.45363510 0.16825053
0.34035188 0.56082583 0.17809676
0.38138937 0.61936102 0.11226254
0.37177798 0.40811397 0.08661374
0.41340509 0.46553423 0.02005873
0.41978194 0.57103497 0.03385349
0.54803246 0.66281315 0.00367087
0.55376499 0.76451391 0.03496018
0.63581949 0.79785430 0.07145018
0.62388577 0.59565470 0.00519410
0.70546286 0.62985419 0.04071682
0.71152821 0.73055051 0.07478365
0.31645187 0.43699439 0.34084337
0.33817419 0.28049967 0.24340226
0.10785942 0.76420055 0.89700761
0.99007811 0.69183158 -0.02255481
0.94986175 0.76328202 0.90812842
0.85962227 0.78631764 0.88749446
0.84234098 0.85744119 0.81811917
0.71922097 0.81553283 0.72375222
0.64895259 0.75070636 0.74451229
0.61736742 0.68074953 0.67792187
0.65858777 0.67713888 0.59171565
0.65053259 0.60366290 0.51173959
0.76239115 0.71953674 0.47773255
0.72611404 0.74501427 0.57127666
0.75707509 0.81606511 0.63531659
0.91229025 0.90638320 0.77420862
0.00284755 0.88107342 0.79521207
0.02018761 0.80822337 0.86179679
0.83362280 0.32065093 0.33746806
0.74238478 0.42829013 0.45135089
0.76690011 0.68889485 0.27817914
0.86029020 0.58083077 0.16698599
0.18742062 0.23179145 0.17658105
0.02215923 0.23443857 0.15347681
0.00309641 0.54651893 0.25750150
0.16685863 0.54527425 0.27872027
0.38543348 0.70213284 0.12265632
0.31257746 0.60069737 0.23930411
0.36946913 0.32544753 0.07447192
0.44297365 0.42855031 0.95830108
0.64020672 0.87669179 0.09781673
0.49409337 0.81598961 0.03159338
0.61762355 0.51689991 0.97960657
0.76504327 0.57809528 0.04233521
0.39000925 0.44003536 0.35154959
0.28857742 0.38972602 0.39468412
0.28764611 0.51502389 0.35175224
0.41153693 0.28393297 0.25444712
0.32734012 0.23725586 0.17855841
0.31015122 0.23681465 0.29957886
0.80412705 0.75121814 0.92250578
0.62216285 0.75357295 0.81443677
0.56457333 0.62821743 0.69455543
0.81070111 0.86685721 0.61816006
0.89511149 0.96349911 0.72288113
0.05771715 0.91729621 0.76019707
0.13057555 0.65466727 0.00215513
0.77515054 0.75588803 0.10447596
0.90920689 0.38491221 0.18943353
0.46563175 0.62797807 0.96959307
0.18505279 0.78046213 0.87335714
0.95184848 0.64046537 0.03363352
0.75197860 0.87963132 0.79424625
0.60099604 0.53133002 0.50259436
0.82195948 0.76131548 0.43650365
0.08377571 0.69624766 0.96544786
0.71599441 0.63177061 0.44583763
No title
1
14.782491 0.268650 -0.035925
0.265615 13.042109 -0.196684
-0.035065 -0.185260 14.491780
C H O N
43 30 7 2
Direct configuration= 154
0.75198074 0.56647236 0.37339385
0.76780430 0.46166080 0.38897379
0.81845106 0.40144575 0.32572660
0.78135027 0.60849469 0.29150184
0.83286019 0.54814190 0.22873047
0.85348202 0.44581381 0.24767620
0.00196472 0.38995081 0.20381677
0.05497795 0.30239702 0.18011962
0.14862354 0.30218889 0.19335928
0.04325804 0.47737497 0.23929060
0.13682592 0.47566989 0.25134335
0.19182372 0.38834764 0.22969399
0.29515704 0.38963955 0.24449622
0.33645781 0.45356297 0.16831185
0.34051674 0.56079552 0.17821712
0.38144628 0.61942750 0.11234987
0.37162479 0.40803416 0.08660813
0.41320904 0.46553831 0.01998783
0.41968164 0.57111843 0.03384512
0.54791810 0.66295832 0.00355137
0.55364833 0.76471890 0.03482876
0.63570220 0.79805323 0.07121529
0.62381616 0.59571373 0.00503202
0.70539790 0.62993159 0.04058776
0.71140397 0.73076333 0.07457701
0.31643855 0.43693054 0.34086341
0.33826788 0.28025866 0.24337601
0.10805833 0.76445676 0.89711238
0.99020390 0.69178595 -0.02257655
0.94984315 0.76317585 0.90805809
0.85967287 0.78618108 0.88736275
0.84235654 0.85736930 0.81814708
0.71918313 0.81560931 0.72381618
0.64887638 0.75094181 0.74448179
0.61724792 0.68086148 0.67792015
0.65861436 0.67721674 0.59173495
0.65053364 0.60370747 0.51175994
0.76247336 0.71952603 0.47782513
0.72625888 0.74490481 0.57138852
0.75720946 0.81603013 0.63546764
0.91232806 0.90648078 0.77429531
0.00290081 0.88121026 0.79527318
0.02029913 0.80838184 0.86184956
0.83389624 0.32049012 0.33759666
0.74271511 0.42825898 0.45150048
0.76676366 0.68896088 0.27814982
0.86000159 0.58075719 0.16680421
0.18749529 0.23159634 0.17641993
0.02215693 0.23423122 0.15329417
0.00305793 0.54636135 0.25792251
0.16682282 0.54506525 0.27913625
0.38562565 0.70222133 0.12278769
0.31282514 0.60074858 0.23941095
0.36923116 0.32533660 0.07440863
0.44263495 0.42854874 0.95817865
0.64007753 0.87691585 0.09756074
0.49394353 0.81621633 0.03138888
0.61760852 0.51694413 0.97949123
0.76490806 0.57817701 0.04214590
0.38997238 0.44011123 0.35151472
0.28863202 0.38958476 0.39464817
0.28746835 0.51494107 0.35174105
0.41166421 0.28365899 0.25435582
0.32735306 0.23700149 0.17853812
0.31026429 0.23655681 0.29955148
0.80415587 0.75093530 0.92234951
0.62198823 0.75369392 0.81441281
0.56435140 0.62840804 0.69447679
0.81100928 0.86674182 0.61829658
0.89512947 0.96356532 0.72290204
0.05783543 0.91766761 0.76047540
0.13070296 0.65503831 0.00237015
0.77504849 0.75615233 0.10415879
0.90913212 0.38487734 0.18935961
0.46549300 0.62810044 0.96956028
0.18506775 0.78098692 0.87345017
0.95192480 0.64024560 0.03349229
0.75191499 0.87962080 0.79429163
0.60096847 0.53131714 0.50259514
0.82210720 0.76147833 0.43663538
0.08392201 0.69628824 0.96560125
0.71602764 0.63187749 0.44589295
No title
1
14.776687 0.270682 -0.035229
0.267566 13.027213 -0.196162
-0.034398 -0.184415 14.496583
C H O N
43 30 7 2
Direct configuration= 155
0.75205428 0.56648965 0.37345197
0.76815747 0.46162115 0.38915331
0.81875489 0.40139184 0.32585576
0.78121470 0.60844387 0.29151085
0.83257878 0.54795879 0.22866499
0.85338593 0.44556120 0.24753551
0.00190565 0.38961393 0.20380644
0.05500747 0.30209902 0.17992842
0.14862703 0.30190408 0.19318336
0.04321255 0.47713107 0.23957066
0.13673384 0.47537320 0.25164843
0.19181299 0.38809571 0.22977121
0.29519282 0.38938085 0.24456958
0.33654301 0.45344960 0.16840815
0.34077573 0.56074786 0.17840611
0.38153566 0.61953197 0.11248698
0.37138414 0.40790875 0.08659932
0.41290105 0.46554476 0.01987650
0.41952405 0.57124962 0.03383198
0.54773843 0.66318652 0.00336374
0.55346504 0.76504111 0.03462240
0.63551792 0.79836593 0.07084645
0.62370680 0.59580654 0.00477751
0.70529584 0.63005325 0.04038509
0.71120875 0.73109788 0.07425254
0.31641763 0.43683019 0.34089488
0.33841511 0.27987983 0.24333479
0.10837079 0.76485943 0.89727689
0.99040152 0.69171420 -0.02261068
0.94981396 0.76300897 0.90794765
0.85975238 0.78596645 0.88715593
0.84238101 0.85725630 0.81819090
0.71912367 0.81572953 0.72391661
0.64875662 0.75131191 0.74443389
0.61706017 0.68103747 0.67791747
0.65865613 0.67733912 0.59176527
0.65053528 0.60377754 0.51179189
0.76260252 0.71950918 0.47797050
0.72648644 0.74473272 0.57156415
0.75742056 0.81597512 0.63570482
0.91238743 0.90663415 0.77443144
0.00298444 0.88142535 0.79536912
0.02047430 0.80863089 0.86193241
0.83432582 0.32023733 0.33779859
0.74323407 0.42820995 0.45173537
0.76654929 0.68906469 0.27810377
0.85954820 0.58064161 0.16651878
0.18761262 0.23128967 0.17616694
0.02215335 0.23390533 0.15300738
0.00299747 0.54611364 0.25858362
0.16676657 0.54473673 0.27978947
0.38592753 0.70236037 0.12299398
0.31321424 0.60082903 0.23957870
0.36885733 0.32516231 0.07430927
0.44210285 0.42854633 0.95798641
0.63987455 0.87726805 0.09715877
0.49370809 0.81657272 0.03106776
0.61758492 0.51701363 0.97931011
0.76469563 0.57830549 0.04184865
0.38991446 0.44023049 0.35145997
0.28871784 0.38936273 0.39459172
0.28718909 0.51481092 0.35172349
0.41186421 0.28322835 0.25421246
0.32737343 0.23660167 0.17850627
0.31044197 0.23615154 0.29950848
0.80420120 0.75049074 0.92210412
0.62171388 0.75388407 0.81437518
0.56400273 0.62870769 0.69435331
0.81149343 0.86656041 0.61851094
0.89515771 0.96366938 0.72293488
0.05802118 0.91825131 0.76091245
0.13090306 0.65562145 0.00270777
0.77488814 0.75656779 0.10366074
0.90901467 0.38482254 0.18924355
0.46527500 0.62829279 0.96950881
0.18509117 0.78181176 0.87359624
0.95204473 0.63990017 0.03327051
0.75181506 0.87960427 0.79436291
0.60092516 0.53129691 0.50259636
0.82233924 0.76173427 0.43684223
0.08415184 0.69635198 0.96584211
0.71607981 0.63204547 0.44597981
No title
1
14.779152 0.269819 -0.035525
0.266737 13.033540 -0.196384
-0.034681 -0.184774 14.494543
C H O N
43 30 7 2
Direct configuration= 156
0.75202304 0.56648231 0.37342730
0.76800742 0.46163804 0.38907710
0.81862580 0.40141479 0.32580093
0.78127230 0.60846547 0.29150702
0.83269833 0.54803663 0.22869278
0.85342674 0.44566860 0.24759524
0.00193073 0.38975717 0.20381082
0.05499490 0.30222573 0.18000960
0.14862552 0.30202518 0.19325805
0.04323187 0.47723478 0.23945175
0.13677295 0.47549935 0.25151890
0.19181754 0.38820283 0.22973843
0.29517760 0.38949086 0.24453843
0.33650680 0.45349781 0.16836727
0.34066569 0.56076815 0.17832588
0.38149769 0.61948756 0.11242877
0.37148638 0.40796206 0.08660305
0.41303191 0.46554199 0.01992376
0.41959102 0.57119382 0.03383756
0.54781478 0.66308947 0.00344340
0.55354294 0.76490408 0.03471001
0.63559623 0.79823295 0.07100305
0.62375327 0.59576706 0.00488557
0.70533921 0.63000151 0.04047114
0.71129171 0.73095560 0.07439030
0.31642652 0.43687286 0.34088152
0.33835253 0.28004092 0.24335229
0.10823806 0.76468824 0.89720705
0.99031755 0.69174472 -0.02259618
0.94982635 0.76307992 0.90799454
0.85971858 0.78605771 0.88724374
0.84237061 0.85730435 0.81817230
0.71914894 0.81567841 0.72387397
0.64880753 0.75115454 0.74445423
0.61713995 0.68096262 0.67791861
0.65863840 0.67728709 0.59175240
0.65053459 0.60374775 0.51177832
0.76254765 0.71951636 0.47790878
0.72638975 0.74480591 0.57148958
0.75733087 0.81599854 0.63560412
0.91236222 0.90656894 0.77437365
0.00294892 0.88133390 0.79532839
0.02039989 0.80852500 0.86189724
0.83414328 0.32034485 0.33771286
0.74301358 0.42823084 0.45163565
0.76664038 0.68902053 0.27812332
0.85974083 0.58069071 0.16663996
0.18756274 0.23142007 0.17627435
0.02215484 0.23404389 0.15312914
0.00302315 0.54621898 0.25830292
0.16679046 0.54487643 0.27951212
0.38579928 0.70230128 0.12290640
0.31304892 0.60079485 0.23950748
0.36901615 0.32523639 0.07435145
0.44232892 0.42854731 0.95806802
0.63996081 0.87711827 0.09732944
0.49380814 0.81642115 0.03120410
0.61759495 0.51698407 0.97938701
0.76478589 0.57825083 0.04197485
0.38993908 0.44017977 0.35148321
0.28868136 0.38945715 0.39461569
0.28730773 0.51486624 0.35173094
0.41177920 0.28341147 0.25427333
0.32736475 0.23677167 0.17851979
0.31036645 0.23632388 0.29952673
0.80418191 0.75067977 0.92220830
0.62183046 0.75380320 0.81439115
0.56415089 0.62858025 0.69440573
0.81128771 0.86663759 0.61841994
0.89514572 0.96362514 0.72292094
0.05794230 0.91800315 0.76072690
0.13081808 0.65537352 0.00256443
0.77495628 0.75639111 0.10387220
0.90906457 0.38484583 0.18929283
0.46536763 0.62821098 0.96953066
0.18508128 0.78146104 0.87353423
0.95199375 0.64004705 0.03336467
0.75185752 0.87961129 0.79433264
0.60094356 0.53130551 0.50259584
0.82224067 0.76162547 0.43675441
0.08405420 0.69632490 0.96573985
0.71605766 0.63197405 0.44594294
No title
1
14.775257 0.271505 -0.034562
0.268332 13.023076 -0.196284
-0.033747 -0.184497 14.497253
C H O N
43 30 7 2
Direct configuration= 157
0.75205940 0.56647137 0.37350951
0.76827829 0.46158150 0.38921330
0.81882124 0.40128605 0.32593630
0.78118150 0.60845563 0.29152501
0.83249438 0.54796325 0.22859839
0.85338598 0.44550176 0.24756657
0.00191202 0.38956215 0.20379861
0.05497680 0.30202681 0.17989045
0.14860729 0.30180701 0.19314486
0.04316062 0.47701092 0.23965289
0.13671438 0.47527211 0.25175374
0.19186344 0.38798710 0.22975437
0.29522973 0.38933390 0.24458529
0.33654941 0.45344200 0.16846543
0.34087296 0.56077653 0.17845598
0.38155802 0.61950397 0.11250720
0.37136237 0.40787269 0.08655756
0.41279067 0.46558196 0.01985226
0.41947096 0.57123677 0.03390232
0.54769562 0.66330434 0.00331774
0.55344537 0.76514516 0.03456129
0.63544050 0.79852656 0.07072421
0.62360829 0.59583708 0.00471030
0.70526305 0.63013083 0.04028732
0.71112658 0.73120727 0.07420888
0.31640739 0.43679766 0.34093102
0.33846355 0.27978166 0.24332254
0.10821965 0.76495314 0.89736981
0.99048260 0.69166280 -0.02265309
0.94986781 0.76303085 0.90792767
0.85973937 0.78586390 0.88710504
0.84234151 0.85727089 0.81817821
0.71914357 0.81579385 0.72392363
0.64866938 0.75136247 0.74446346
0.61703625 0.68110286 0.67785717
0.65867450 0.67733107 0.59169902
0.65050419 0.60375059 0.51181270
0.76270656 0.71953669 0.47795559
0.72654228 0.74474265 0.57163321
0.75751030 0.81595981 0.63575452
0.91237148 0.90666660 0.77444245
0.00301310 0.88156133 0.79540458
0.02050265 0.80866143 0.86197152
0.83442499 0.32020119 0.33787392
0.74338958 0.42819574 0.45178362
0.76649283 0.68913358 0.27810889
0.85940808 0.58062374 0.16645449
0.18765089 0.23122360 0.17606701
0.02215921 0.23382897 0.15291730
0.00296378 0.54605835 0.25876863
0.16674384 0.54465226 0.27996219
0.38600811 0.70239125 0.12305100
0.31333673 0.60083283 0.23964199
0.36874411 0.32514155 0.07428450
0.44194544 0.42852744 0.95790372
0.63981743 0.87737611 0.09702560
0.49364604 0.81667565 0.03098787
0.61758626 0.51697753 0.97925021
0.76467379 0.57826154 0.04173930
0.38990899 0.44025069 0.35143661
0.28874008 0.38927975 0.39458305
0.28711327 0.51475300 0.35172465
0.41192874 0.28311837 0.25416705
0.32738398 0.23648684 0.17851808
0.31047515 0.23601460 0.29949395
0.80424266 0.75036718 0.92201431
0.62160430 0.75395772 0.81436209
0.56391326 0.62880099 0.69431858
0.81162555 0.86650116 0.61858163
0.89517699 0.96370982 0.72297384
0.05808558 0.91839740 0.76102704
0.13093533 0.65571871 0.00284998
0.77484058 0.75671132 0.10348837
0.90898572 0.38472351 0.18915780
0.46521931 0.62831934 0.96946423
0.18532434 0.78208643 0.87362562
0.95208352 0.63978855 0.03323656
0.75185612 0.87959719 0.79439897
0.60092480 0.53131852 0.50260308
0.82233168 0.76176378 0.43697543
0.08420668 0.69645403 0.96585404
0.71608357 0.63204688 0.44600308
No title
1
14.773375 0.272320 -0.034097
0.269103 13.018019 -0.196235
-0.033296 -0.184363 14.498563
C H O N
43 30 7 2
Direct configuration= 158
0.75207698 0.56646608 0.37354922
0.76840922 0.46155414 0.38927909
0.81891572 0.40122377 0.32600170
0.78113762 0.60845087 0.29153371
0.83239580 0.54792777 0.22855278
0.85336628 0.44542107 0.24755271
0.00190300 0.38946784 0.20379271
0.05496807 0.30193060 0.17983288
0.14859849 0.30170150 0.19309018
0.04312619 0.47690265 0.23975008
0.13668607 0.47516221 0.25186721
0.19188564 0.38788275 0.22976207
0.29525494 0.38925798 0.24460793
0.33657001 0.45341500 0.16851285
0.34097315 0.56078057 0.17851884
0.38158719 0.61951191 0.11254509
0.37130244 0.40782947 0.08653558
0.41267406 0.46560130 0.01981772
0.41941292 0.57125754 0.03393362
0.54763801 0.66340827 0.00325703
0.55339820 0.76526176 0.03448944
0.63536521 0.79866858 0.07058949
0.62353821 0.59587096 0.00462562
0.70522623 0.63019339 0.04019851
0.71104675 0.73132901 0.07412122
0.31639814 0.43676129 0.34095494
0.33851724 0.27965626 0.24330816
0.10821073 0.76508126 0.89744845
0.99056240 0.69162316 -0.02268059
0.94988786 0.76300711 0.90789536
0.85974944 0.78577016 0.88703802
0.84232745 0.85725471 0.81818106
0.71914096 0.81584968 0.72394763
0.64860259 0.75146305 0.74446793
0.61698611 0.68117070 0.67782749
0.65869195 0.67735234 0.59167323
0.65048950 0.60375197 0.51182931
0.76278338 0.71954651 0.47797821
0.72661601 0.74471204 0.57170260
0.75759703 0.81594106 0.63582718
0.91237595 0.90671383 0.77447570
0.00304411 0.88167131 0.79544139
0.02055231 0.80872741 0.86200741
0.83456117 0.32013168 0.33795173
0.74357133 0.42817874 0.45185510
0.76642150 0.68918826 0.27810193
0.85924724 0.58059137 0.16636489
0.18769351 0.23112857 0.17596682
0.02216135 0.23372502 0.15281495
0.00293507 0.54598066 0.25899365
0.16672130 0.54454384 0.28017966
0.38610904 0.70243475 0.12312086
0.31347585 0.60085117 0.23970697
0.36861262 0.32509571 0.07425216
0.44176008 0.42851786 0.95782434
0.63974812 0.87750084 0.09687879
0.49356767 0.81679876 0.03088340
0.61758206 0.51697436 0.97918411
0.76461961 0.57826673 0.04162549
0.38989445 0.44028499 0.35141409
0.28876847 0.38919395 0.39456727
0.28701928 0.51469824 0.35172162
0.41200104 0.28297660 0.25411569
0.32739329 0.23634908 0.17851725
0.31052772 0.23586500 0.29947810
0.80427205 0.75021599 0.92192058
0.62149497 0.75403248 0.81434805
0.56379838 0.62890776 0.69427648
0.81178887 0.86643515 0.61865974
0.89519209 0.96375077 0.72299940
0.05815480 0.91858807 0.76117205
0.13099197 0.65588565 0.00298795
0.77478465 0.75686621 0.10330292
0.90894761 0.38466436 0.18909256
0.46514761 0.62837176 0.96943213
0.18544179 0.78238889 0.87366977
0.95212693 0.63966352 0.03317466
0.75185545 0.87959037 0.79443102
0.60091573 0.53132482 0.50260659
0.82237565 0.76183067 0.43708222
0.08428037 0.69651648 0.96590920
0.71609609 0.63208210 0.44603214
No title
1
14.769317 0.273736 -0.032337
0.270436 13.008125 -0.196152
-0.031577 -0.184139 14.500585
C H O N
43 30 7 2
Direct configuration= 159
0.75211355 0.56643724 0.37364500
0.76866698 0.46150022 0.38941455
0.81909823 0.40103533 0.32612902
0.78104431 0.60849482 0.29155015
0.83220717 0.54788035 0.22843525
0.85333556 0.44531498 0.24758403
0.00186277 0.38933466 0.20377666
0.05492476 0.30172760 0.17972496
0.14861174 0.30149327 0.19299922
0.04302242 0.47668604 0.23995901
0.13666800 0.47494010 0.25210926
0.19193205 0.38764782 0.22974693
0.29533116 0.38912713 0.24464789
0.33661065 0.45336543 0.16859029
0.34116234 0.56079298 0.17865591
0.38165195 0.61954654 0.11263028
0.37120750 0.40779961 0.08649283
0.41243064 0.46560843 0.01975102
0.41933109 0.57127998 0.03397990
0.54751900 0.66358166 0.00312675
0.55326114 0.76552618 0.03432096
0.63522780 0.79899049 0.07033135
0.62339868 0.59597917 0.00448996
0.70510367 0.63036193 0.03998765
0.71089762 0.73153277 0.07395986
0.31637600 0.43666975 0.34098564
0.33862413 0.27942217 0.24329113
0.10838304 0.76539194 0.89753975
0.99065341 0.69148280 -0.02271571
0.95001960 0.76299984 0.90785062
0.85974948 0.78555310 0.88692511
0.84230296 0.85727417 0.81815106
0.71915609 0.81595578 0.72397771
0.64841897 0.75157631 0.74446808
0.61692112 0.68133971 0.67772765
0.65868894 0.67735494 0.59164931
0.65048351 0.60377541 0.51186105
0.76289129 0.71955871 0.47809195
0.72677730 0.74472511 0.57181283
0.75779307 0.81590805 0.63592604
0.91236452 0.90678637 0.77452262
0.00310889 0.88193477 0.79554779
0.02057440 0.80882654 0.86208051
0.83481414 0.32000875 0.33812377
0.74392924 0.42813446 0.45200195
0.76628837 0.68929248 0.27811060
0.85891774 0.58053260 0.16621574
0.18777390 0.23095451 0.17574424
0.02217030 0.23353445 0.15260518
0.00287031 0.54581239 0.25942061
0.16665614 0.54431687 0.28058447
0.38629911 0.70249609 0.12325419
0.31375643 0.60087878 0.23986239
0.36835078 0.32500811 0.07418351
0.44138538 0.42849985 0.95765746
0.63961286 0.87780589 0.09658780
0.49342588 0.81703926 0.03069140
0.61756758 0.51691910 0.97904306
0.76455538 0.57821579 0.04138579
0.38988871 0.44034263 0.35137160
0.28881645 0.38899447 0.39456416
0.28683538 0.51459085 0.35172636
0.41214376 0.28270863 0.25401097
0.32741867 0.23608055 0.17853182
0.31062188 0.23555587 0.29944296
0.80434263 0.74991351 0.92172509
0.62125578 0.75420223 0.81431486
0.56359005 0.62912957 0.69418841
0.81208883 0.86628625 0.61882804
0.89522206 0.96385555 0.72306855
0.05828848 0.91894563 0.76144171
0.13111449 0.65613513 0.00331016
0.77468094 0.75719660 0.10292617
0.90890075 0.38447310 0.18892730
0.46499432 0.62844761 0.96937626
0.18551346 0.78292492 0.87386745
0.95226089 0.63944746 0.03303025
0.75190285 0.87960864 0.79452297
0.60087541 0.53131356 0.50261182
0.82248763 0.76196955 0.43727625
0.08440018 0.69674821 0.96593330
0.71612165 0.63208194 0.44605666
No title
1
14.764227 0.275511 -0.030128
0.272107 12.995716 -0.196047
-0.029419 -0.183857 14.503121
C H O N
43 30 7 2
Direct configuration= 160
0.75215943 0.56640103 0.37376511
0.76899036 0.46143250 0.38958439
0.81932723 0.40079877 0.32628867
0.78092725 0.60854999 0.29157078
0.83197054 0.54782085 0.22828788
0.85329703 0.44518182 0.24762331
0.00181233 0.38916749 0.20375654
0.05487048 0.30147280 0.17958962
0.14862841 0.30123189 0.19288514
0.04289222 0.47641414 0.24022105
0.13664533 0.47466129 0.25241281
0.19199031 0.38735292 0.22972792
0.29542680 0.38896287 0.24469798
0.33666164 0.45330321 0.16868740
0.34139969 0.56080854 0.17882778
0.38173319 0.61958999 0.11273711
0.37108840 0.40776215 0.08643922
0.41212525 0.46561741 0.01966740
0.41922841 0.57130816 0.03403795
0.54736969 0.66379933 0.00296338
0.55308918 0.76585811 0.03410970
0.63505538 0.79939459 0.07000763
0.62322363 0.59611501 0.00431985
0.70494992 0.63057351 0.03972321
0.71071051 0.73178858 0.07375751
0.31634822 0.43655484 0.34102413
0.33875828 0.27912831 0.24326974
0.10859917 0.76578190 0.89765423
0.99076762 0.69130661 -0.02275977
0.95018490 0.76299069 0.90779450
0.85974957 0.78528063 0.88678351
0.84227223 0.85729859 0.81811343
0.71917505 0.81608896 0.72401544
0.64818858 0.75171851 0.74446829
0.61683958 0.68155188 0.67760245
0.65868515 0.67735821 0.59161932
0.65047600 0.60380483 0.51190086
0.76302667 0.71957401 0.47823458
0.72697964 0.74474150 0.57195105
0.75803901 0.81586657 0.63605000
0.91235016 0.90687743 0.77458147
0.00319010 0.88226547 0.79568122
0.02060208 0.80895098 0.86217220
0.83513151 0.31985439 0.33833950
0.74437826 0.42807882 0.45218607
0.76612133 0.68942333 0.27812149
0.85850437 0.58045888 0.16602873
0.18787481 0.23073602 0.17546509
0.02218160 0.23329523 0.15234209
0.00278902 0.54560116 0.25995608
0.16657435 0.54403198 0.28109217
0.38653755 0.70257306 0.12342138
0.31410844 0.60091340 0.24005726
0.36802228 0.32489820 0.07409746
0.44091530 0.42847731 0.95744824
0.63944316 0.87818884 0.09622288
0.49324798 0.81734117 0.03045064
0.61754943 0.51684973 0.97886617
0.76447483 0.57815185 0.04108518
0.38988151 0.44041499 0.35131831
0.28887667 0.38874406 0.39456024
0.28660468 0.51445608 0.35173234
0.41232288 0.28237225 0.25387962
0.32745054 0.23574349 0.17855008
0.31074007 0.23516782 0.29939888
0.80443124 0.74953382 0.92147991
0.62095567 0.75441536 0.81427328
0.56332867 0.62940803 0.69407799
0.81246518 0.86609930 0.61903906
0.89525964 0.96398706 0.72315528
0.05845612 0.91939444 0.76177987
0.13126813 0.65644827 0.00371423
0.77455083 0.75761135 0.10245369
0.90884199 0.38423303 0.18872005
0.46480198 0.62854285 0.96930621
0.18560329 0.78359777 0.87411537
0.95242901 0.63917622 0.03284913
0.75196231 0.87963156 0.79463827
0.60082481 0.53129944 0.50261839
0.82262807 0.76214385 0.43751959
0.08455047 0.69703906 0.96596351
0.71615372 0.63208173 0.44608741
No title
1
14.760343 0.276887 -0.028081
0.273401 12.985999 -0.196034
-0.027416 -0.183718 14.505198
C H O N
43 30 7 2
Direct configuration= 161
0.75222773 0.56637079 0.37381086
0.76923259 0.46137138 0.38971565
0.81950351 0.40066867 0.32637402
0.78083383 0.60859159 0.29158194
0.83177534 0.54775866 0.22823314
0.85328083 0.44509631 0.24764026
0.00173125 0.38901497 0.20371417
0.05486899 0.30128908 0.17950031
0.14864385 0.30102299 0.19279362
0.04283043 0.47624659 0.24046560
0.13661924 0.47441730 0.25264249
0.19201325 0.38715821 0.22972330
0.29550708 0.38882078 0.24472420
0.33672089 0.45326079 0.16872886
0.34155776 0.56079102 0.17897940
0.38181912 0.61965957 0.11283745
0.37097344 0.40774196 0.08643988
0.41190972 0.46558667 0.01956798
0.41918436 0.57134147 0.03402359
0.54721355 0.66392742 0.00282167
0.55292321 0.76611948 0.03391062
0.63493375 0.79969098 0.06976417
0.62310951 0.59619470 0.00419233
0.70485481 0.63070408 0.03950261
0.71058027 0.73198151 0.07358044
0.31633036 0.43644123 0.34102752
0.33886373 0.27890605 0.24326995
0.10874353 0.76611006 0.89773714
0.99086681 0.69124510 -0.02287893
0.95023781 0.76295333 0.90778922
0.85984208 0.78511129 0.88664858
0.84230490 0.85727958 0.81812272
0.71915674 0.81613710 0.72406043
0.64805630 0.75184231 0.74441967
0.61672539 0.68168658 0.67752295
0.65870435 0.67740690 0.59163131
0.65048148 0.60381287 0.51190401
0.76310537 0.71958792 0.47840076
0.72709502 0.74473613 0.57201127
0.75823138 0.81584400 0.63614511
0.91238065 0.90695859 0.77460726
0.00322001 0.88251385 0.79584239
0.02064543 0.80911217 0.86218282
0.83538339 0.31968162 0.33852956
0.74472210 0.42801782 0.45236104
0.76599123 0.68952084 0.27814991
0.85818132 0.58040956 0.16588201
0.18795134 0.23055799 0.17522363
0.02218337 0.23310350 0.15212282
0.00271629 0.54541110 0.26035679
0.16649299 0.54379632 0.28147109
0.38671635 0.70262465 0.12354983
0.31438462 0.60094335 0.24024875
0.36776643 0.32482292 0.07402337
0.44053288 0.42847213 0.95728853
0.63931380 0.87858567 0.09594850
0.49309313 0.81760041 0.03027138
0.61752250 0.51681509 0.97873542
0.76438846 0.57811942 0.04083833
0.38989173 0.44046500 0.35128450
0.28891784 0.38852037 0.39458515
0.28642598 0.51435883 0.35174991
0.41245999 0.28211520 0.25377560
0.32748450 0.23548545 0.17857261
0.31083208 0.23486065 0.29936033
0.80447472 0.74920644 0.92130186
0.62069567 0.75459687 0.81423739
0.56315876 0.62965109 0.69397369
0.81275791 0.86595215 0.61921023
0.89527764 0.96412612 0.72322659
0.05857878 0.91973789 0.76202609
0.13133492 0.65670256 0.00399827
0.77445960 0.75795112 0.10208678
0.90879168 0.38404749 0.18858271
0.46463976 0.62859878 0.96927423
0.18568148 0.78410465 0.87435728
0.95256229 0.63892124 0.03275060
0.75197683 0.87968799 0.79471666
0.60077337 0.53127950 0.50262598
0.82276445 0.76227209 0.43767614
0.08474337 0.69721579 0.96604239
0.71618313 0.63207044 0.44612838
No title
1
14.754453 0.278974 -0.024977
0.275363 12.971266 -0.196014
-0.024379 -0.183508 14.508347
C H O N
43 30 7 2
Direct configuration= 162
0.75233132 0.56632489 0.37388021
0.76959998 0.46127857 0.38991460
0.81977088 0.40047121 0.32650338
0.78069212 0.60865473 0.29159888
0.83147929 0.54766433 0.22815020
0.85325627 0.44496656 0.24766595
0.00160830 0.38878352 0.20364995
0.05486679 0.30101030 0.17936490
0.14866731 0.30070599 0.19265485
0.04273669 0.47599234 0.24083638
0.13657965 0.47404705 0.25299073
0.19204808 0.38686272 0.22971629
0.29562887 0.38860513 0.24476394
0.33681074 0.45319641 0.16879172
0.34179749 0.56076440 0.17920925
0.38194941 0.61976514 0.11298956
0.37079908 0.40771134 0.08644091
0.41158282 0.46554007 0.01941729
0.41911755 0.57139202 0.03400183
0.54697672 0.66412182 0.00260687
0.55267147 0.76651613 0.03360884
0.63474926 0.80014077 0.06939509
0.62293645 0.59631565 0.00399903
0.70471057 0.63090224 0.03916816
0.71038275 0.73227431 0.07331200
0.31630329 0.43626883 0.34103267
0.33902371 0.27856876 0.24327023
0.10896242 0.76660802 0.89786282
0.99101730 0.69115174 -0.02305962
0.95031806 0.76289662 0.90778120
0.85998246 0.78485429 0.88644398
0.84235445 0.85725071 0.81813680
0.71912895 0.81621014 0.72412866
0.64785565 0.75203021 0.74434598
0.61655218 0.68189100 0.67740244
0.65873346 0.67748079 0.59164947
0.65048980 0.60382507 0.51190878
0.76322470 0.71960901 0.47865271
0.72727000 0.74472797 0.57210256
0.75852314 0.81580971 0.63628926
0.91242688 0.90708173 0.77464636
0.00326530 0.88289077 0.79608674
0.02071116 0.80935676 0.86219891
0.83576541 0.31941940 0.33881767
0.74524361 0.42792518 0.45262625
0.76579387 0.68966884 0.27819303
0.85769136 0.58033477 0.16565963
0.18806750 0.23028783 0.17485753
0.02218614 0.23281255 0.15179036
0.00260591 0.54512269 0.26096434
0.16636955 0.54343871 0.28204560
0.38698751 0.70270289 0.12374455
0.31480348 0.60098875 0.24053901
0.36737840 0.32470873 0.07391109
0.43995286 0.42846433 0.95704647
0.63911760 0.87918788 0.09553253
0.49285824 0.81799383 0.02999963
0.61748169 0.51676252 0.97853720
0.76425751 0.57807022 0.04046409
0.38990722 0.44054090 0.35123325
0.28898032 0.38818090 0.39462290
0.28615494 0.51421127 0.35177658
0.41266802 0.28172510 0.25361785
0.32753604 0.23509386 0.17860675
0.31097168 0.23439452 0.29930187
0.80454075 0.74870964 0.92103189
0.62030130 0.75487237 0.81418303
0.56290102 0.63001996 0.69381560
0.81320189 0.86572881 0.61946969
0.89530492 0.96433713 0.72333469
0.05876473 0.92025906 0.76239938
0.13143613 0.65708842 0.00442891
0.77432126 0.75846674 0.10153052
0.90871543 0.38376594 0.18837449
0.46439371 0.62868369 0.96922578
0.18579995 0.78487384 0.87472405
0.95276452 0.63853429 0.03260118
0.75199882 0.87977361 0.79483550
0.60069533 0.53124924 0.50263751
0.82297125 0.76246667 0.43791348
0.08503592 0.69748394 0.96616195
0.71622774 0.63205329 0.44619050
No title
1
14.751142 0.279608 -0.022556
0.276011 12.961468 -0.196121
-0.021997 -0.183509 14.510438
C H O N
43 30 7 2
Direct configuration= 163
0.75243497 0.56630919 0.37387425
0.76979761 0.46121662 0.39002565
0.81993929 0.40040942 0.32654709
0.78060206 0.60865422 0.29160255
0.83131373 0.54760078 0.22815922
0.85326244 0.44486518 0.24760257
0.00154636 0.38863216 0.20360873
0.05490622 0.30085207 0.17928445
0.14870136 0.30052579 0.19256149
0.04271410 0.47581065 0.24107788
0.13651427 0.47382988 0.25319193
0.19205664 0.38670846 0.22974499
0.29567549 0.38844041 0.24475938
0.33687131 0.45314626 0.16883941
0.34192389 0.56077023 0.17933712
0.38206856 0.61977091 0.11308875
0.37067051 0.40764036 0.08643457
0.41141109 0.46551820 0.01932844
0.41906798 0.57141661 0.03395870
0.54680619 0.66422478 0.00247680
0.55253245 0.76670087 0.03338052
0.63461720 0.80039271 0.06918289
0.62284915 0.59632907 0.00386309
0.70468977 0.63094355 0.03896579
0.71029868 0.73246964 0.07309034
0.31629653 0.43613618 0.34103143
0.33911818 0.27836013 0.24327817
0.10890446 0.76687533 0.89802074
0.99113882 0.69108980 -0.02312599
0.95034560 0.76282588 0.90776340
0.86007973 0.78471785 0.88635000
0.84247083 0.85721363 0.81814900
0.71911832 0.81620487 0.72416902
0.64777824 0.75218506 0.74429713
0.61639976 0.68200321 0.67736621
0.65876467 0.67757354 0.59168933
0.65048211 0.60378199 0.51188179
0.76339006 0.71967442 0.47872099
0.72731779 0.74472696 0.57216660
0.75863287 0.81574883 0.63640863
0.91247610 0.90719477 0.77466445
0.00330396 0.88315444 0.79622645
0.02080262 0.80951883 0.86223068
0.83601046 0.31920600 0.33900913
0.74555493 0.42784631 0.45283911
0.76566662 0.68975606 0.27824402
0.85738462 0.58028231 0.16554038
0.18813671 0.23009449 0.17459999
0.02218830 0.23263847 0.15157283
0.00251618 0.54493372 0.26132267
0.16627424 0.54319527 0.28237698
0.38714753 0.70279798 0.12387174
0.31506001 0.60101582 0.24077880
0.36714062 0.32466590 0.07383971
0.43958645 0.42845354 0.95687423
0.63900162 0.87965841 0.09527868
0.49265434 0.81830129 0.02983829
0.61743237 0.51679677 0.97843787
0.76411735 0.57811038 0.04021894
0.38991961 0.44057716 0.35121559
0.28902491 0.38795134 0.39466015
0.28600086 0.51411300 0.35180969
0.41279164 0.28148993 0.25352427
0.32758569 0.23486564 0.17863711
0.31106391 0.23411069 0.29926709
0.80458973 0.74839124 0.92085458
0.62004466 0.75505956 0.81409264
0.56274888 0.63024031 0.69369846
0.81349769 0.86561435 0.61963041
0.89530129 0.96452642 0.72339767
0.05882741 0.92055689 0.76262314
0.13146246 0.65733114 0.00465229
0.77424999 0.75879073 0.10120086
0.90862039 0.38366343 0.18832703
0.46424035 0.62873680 0.96918912
0.18605494 0.78537980 0.87494642
0.95295353 0.63833415 0.03245116
0.75195030 0.87984941 0.79487701
0.60065110 0.53124919 0.50265161
0.82303156 0.76248646 0.43807972
0.08518726 0.69761135 0.96627427
0.71628385 0.63207662 0.44627882
No title
1
14.749342 0.279952 -0.021240
0.276364 12.956142 -0.196179
-0.020702 -0.183510 14.511575
C H O N
43 30 7 2
Direct configuration= 164
0.75249132 0.56630065 0.37387099
0.76990506 0.46118292 0.39008599
0.82003085 0.40037580 0.32657084
0.78055310 0.60865396 0.29160455
0.83122371 0.54756621 0.22816414
0.85326580 0.44481003 0.24756811
0.00151268 0.38854982 0.20358633
0.05492767 0.30076600 0.17924071
0.14871989 0.30042776 0.19251074
0.04270180 0.47571181 0.24120914
0.13647871 0.47371174 0.25330129
0.19206129 0.38662454 0.22976058
0.29570085 0.38835079 0.24475689
0.33690424 0.45311897 0.16886533
0.34199261 0.56077340 0.17940662
0.38213334 0.61977405 0.11314265
0.37060060 0.40760175 0.08643114
0.41131772 0.46550631 0.01928016
0.41904104 0.57142999 0.03393526
0.54671348 0.66428079 0.00240613
0.55245688 0.76680138 0.03325643
0.63454541 0.80052978 0.06906756
0.62280170 0.59633637 0.00378921
0.70467849 0.63096602 0.03885580
0.71025299 0.73257591 0.07296988
0.31629287 0.43606402 0.34103075
0.33916955 0.27824663 0.24328247
0.10887293 0.76702075 0.89810658
0.99120491 0.69105609 -0.02316208
0.95036058 0.76278740 0.90775372
0.86013263 0.78464362 0.88629890
0.84253412 0.85719346 0.81815563
0.71911253 0.81620201 0.72419096
0.64773615 0.75226930 0.74427059
0.61631688 0.68206426 0.67734653
0.65878163 0.67762400 0.59171099
0.65047794 0.60375855 0.51186712
0.76347996 0.71970999 0.47875809
0.72734377 0.74472642 0.57220140
0.75869252 0.81571570 0.63647349
0.91250285 0.90725626 0.77467428
0.00332496 0.88329788 0.79630238
0.02085234 0.80960699 0.86224795
0.83614369 0.31908990 0.33911317
0.74572420 0.42780340 0.45295478
0.76559743 0.68980350 0.27827175
0.85721784 0.58025378 0.16547559
0.18817436 0.22998931 0.17446000
0.02218950 0.23254376 0.15145459
0.00246736 0.54483091 0.26151744
0.16622239 0.54306283 0.28255709
0.38723452 0.70284970 0.12394086
0.31519947 0.60103054 0.24090911
0.36701134 0.32464261 0.07380094
0.43938723 0.42844768 0.95678064
0.63893857 0.87991439 0.09514072
0.49254347 0.81846856 0.02975063
0.61740557 0.51681540 0.97838389
0.76404115 0.57813224 0.04008571
0.38992635 0.44059689 0.35120600
0.28904916 0.38782646 0.39468039
0.28591709 0.51405954 0.35182770
0.41285887 0.28136199 0.25347340
0.32761268 0.23474148 0.17865360
0.31111407 0.23395628 0.29924818
0.80461638 0.74821803 0.92075821
0.61990511 0.75516140 0.81404354
0.56266615 0.63036019 0.69363480
0.81365852 0.86555208 0.61971773
0.89529930 0.96462939 0.72343190
0.05886146 0.92071892 0.76274475
0.13147675 0.65746318 0.00477370
0.77421126 0.75896699 0.10102170
0.90856872 0.38360767 0.18830124
0.46415697 0.62876570 0.96916921
0.18619355 0.78565505 0.87506726
0.95305632 0.63822526 0.03236961
0.75192391 0.87989065 0.79489957
0.60062705 0.53124916 0.50265927
0.82306433 0.76249723 0.43817007
0.08526954 0.69768066 0.96633532
0.71631434 0.63208931 0.44632682
No title
1
14.745816 0.280241 -0.018338
0.276728 12.944759 -0.196545
-0.017836 -0.183776 14.514447
C H O N
43 30 7 2
Direct configuration= 165
0.75260113 0.56630023 0.37390619
0.77008746 0.46111607 0.39019334
0.82022674 0.40027466 0.32661619
0.78044701 0.60864802 0.29159717
0.83110549 0.54750604 0.22815218
0.85325020 0.44469312 0.24746697
0.00149661 0.38839803 0.20356934
0.05495928 0.30058255 0.17913244
0.14880340 0.30025627 0.19240180
0.04263518 0.47546071 0.24145247
0.13640158 0.47350085 0.25351645
0.19206469 0.38645048 0.22982069
0.29571427 0.38815775 0.24474338
0.33695732 0.45303685 0.16893711
0.34211262 0.56082090 0.17954327
0.38230380 0.61974978 0.11325177
0.37045749 0.40752004 0.08638315
0.41114554 0.46548334 0.01921533
0.41895391 0.57142610 0.03389446
0.54656559 0.66434758 0.00226725
0.55228994 0.76699335 0.03298317
0.63439843 0.80082039 0.06886492
0.62272258 0.59637616 0.00364639
0.70462022 0.63101678 0.03863784
0.71019481 0.73279030 0.07265161
0.31628874 0.43590367 0.34104676
0.33926487 0.27800591 0.24328288
0.10906873 0.76733582 0.89828118
0.99138078 0.69099721 -0.02319034
0.95046818 0.76269674 0.90768685
0.86017731 0.78448029 0.88625975
0.84265085 0.85718209 0.81812536
0.71915236 0.81619684 0.72424445
0.64762083 0.75241795 0.74424694
0.61618424 0.68224504 0.67732753
0.65876031 0.67769307 0.59176249
0.65050310 0.60376609 0.51186018
0.76356853 0.71971088 0.47886793
0.72738434 0.74478109 0.57228906
0.75877423 0.81563501 0.63660282
0.91256313 0.90743312 0.77469745
0.00340088 0.88360459 0.79642028
0.02093341 0.80975515 0.86236058
0.83641136 0.31888057 0.33931400
0.74606143 0.42770905 0.45321594
0.76545324 0.68987874 0.27835032
0.85687102 0.58017744 0.16539129
0.18824279 0.22975655 0.17414912
0.02220942 0.23237888 0.15121263
0.00235269 0.54460979 0.26189116
0.16610263 0.54278479 0.28289905
0.38740284 0.70298219 0.12408419
0.31548470 0.60104630 0.24121572
0.36675101 0.32458226 0.07371781
0.43898459 0.42841896 0.95655683
0.63881113 0.88044973 0.09484047
0.49229430 0.81883700 0.02957889
0.61731765 0.51687019 0.97828418
0.76389301 0.57820216 0.03980692
0.38993245 0.44062103 0.35120081
0.28911419 0.38756587 0.39471756
0.28577339 0.51392392 0.35188009
0.41298573 0.28111404 0.25337965
0.32768899 0.23450277 0.17869075
0.31122169 0.23365072 0.29922112
0.80469941 0.74787762 0.92053807
0.61962357 0.75538987 0.81387009
0.56245582 0.63054452 0.69350168
0.81396701 0.86542276 0.61990534
0.89527532 0.96489511 0.72350129
0.05888428 0.92103430 0.76297196
0.13152334 0.65770194 0.00499591
0.77414811 0.75932036 0.10068017
0.90847006 0.38354824 0.18830044
0.46398978 0.62884049 0.96909367
0.18628352 0.78616029 0.87541119
0.95329748 0.63800958 0.03218357
0.75188717 0.87996607 0.79493133
0.60054982 0.53121059 0.50266659
0.82322715 0.76252427 0.43825525
0.08531275 0.69785419 0.96642495
0.71643137 0.63211201 0.44641007
No title
1
14.741676 0.280579 -0.014930
0.277156 12.931393 -0.196975
-0.014471 -0.184090 14.517819
C H O N
43 30 7 2
Direct configuration= 166
0.75273009 0.56629974 0.37394748
0.77030167 0.46103749 0.39031932
0.82045680 0.40015578 0.32666938
0.78032241 0.60864105 0.29158854
0.83096665 0.54743534 0.22813817
0.85323191 0.44455572 0.24734823
0.00147776 0.38821963 0.20354939
0.05499644 0.30036694 0.17900531
0.14890153 0.30005473 0.19227387
0.04255689 0.47516561 0.24173815
0.13631096 0.47325302 0.25376904
0.19206867 0.38624592 0.22989124
0.29573004 0.38793089 0.24472750
0.33701966 0.45294034 0.16902137
0.34225353 0.56087673 0.17970368
0.38250399 0.61972126 0.11337984
0.37028943 0.40742402 0.08632684
0.41094333 0.46545633 0.01913927
0.41885160 0.57142152 0.03384658
0.54639193 0.66442608 0.00210425
0.55209392 0.76721896 0.03266241
0.63422583 0.80116193 0.06862707
0.62262968 0.59642293 0.00347875
0.70455184 0.63107643 0.03838197
0.71012654 0.73304226 0.07227799
0.31628390 0.43571522 0.34106556
0.33937682 0.27772300 0.24328334
0.10929864 0.76770610 0.89848613
0.99158735 0.69092799 -0.02322356
0.95059458 0.76259018 0.90760831
0.86022980 0.78428832 0.88621377
0.84278797 0.85716872 0.81808981
0.71919912 0.81619078 0.72430724
0.64748538 0.75259266 0.74421920
0.61602845 0.68245751 0.67730526
0.65873526 0.67777424 0.59182295
0.65053266 0.60377494 0.51185202
0.76367253 0.71971193 0.47899687
0.72743198 0.74484535 0.57239196
0.75887017 0.81554019 0.63675462
0.91263392 0.90764097 0.77472465
0.00349000 0.88396505 0.79655869
0.02102859 0.80992926 0.86249279
0.83672571 0.31863454 0.33954969
0.74645746 0.42759816 0.45352245
0.76528387 0.68996717 0.27844260
0.85646370 0.58008773 0.16529240
0.18832325 0.22948298 0.17378413
0.02223288 0.23218509 0.15092856
0.00221794 0.54434993 0.26232992
0.16596190 0.54245804 0.28330051
0.38760050 0.70313790 0.12425243
0.31581963 0.60106481 0.24157560
0.36644527 0.32451134 0.07362028
0.43851172 0.42838522 0.95629417
0.63866148 0.88107890 0.09448803
0.49200167 0.81927001 0.02937735
0.61721441 0.51693460 0.97816714
0.76371907 0.57828434 0.03947966
0.38993961 0.44064940 0.35119473
0.28919058 0.38725960 0.39476117
0.28560461 0.51376453 0.35194162
0.41313476 0.28082264 0.25326956
0.32777861 0.23422222 0.17873433
0.31134812 0.23329161 0.29918931
0.80479699 0.74747755 0.92027960
0.61929293 0.75565839 0.81366654
0.56220879 0.63076115 0.69334545
0.81432930 0.86527078 0.62012550
0.89524713 0.96520741 0.72358278
0.05891100 0.92140496 0.76323871
0.13157799 0.65798254 0.00525679
0.77407400 0.75973565 0.10027925
0.90835419 0.38347839 0.18829953
0.46379343 0.62892840 0.96900503
0.18638910 0.78675407 0.87581496
0.95358077 0.63775608 0.03196510
0.75184401 0.88005472 0.79496862
0.60045911 0.53116526 0.50267520
0.82341835 0.76255604 0.43835521
0.08536347 0.69805813 0.96653017
0.71656880 0.63213869 0.44650779
No title
1
14.738808 0.281358 -0.012527
0.277973 12.919793 -0.197340
-0.012103 -0.184327 14.521725
C H O N
43 30 7 2
Direct configuration= 167
0.75280882 0.56629127 0.37405569
0.77046970 0.46094195 0.39043251
0.82063348 0.39998407 0.32675562
0.78022180 0.60864645 0.29157716
0.83087911 0.54739643 0.22808470
0.85314825 0.44445757 0.24733176
0.00147117 0.38803626 0.20356059
0.05502306 0.30018801 0.17887430
0.14897410 0.29986098 0.19214070
0.04243506 0.47494264 0.24196315
0.13624105 0.47303236 0.25398159
0.19208105 0.38605012 0.22996148
0.29573756 0.38775981 0.24475958
0.33704988 0.45286220 0.16908516
0.34236395 0.56089859 0.17986813
0.38268126 0.61978298 0.11349912
0.37014916 0.40740100 0.08627325
0.41077738 0.46537941 0.01906321
0.41874774 0.57142080 0.03382858
0.54630095 0.66447995 0.00196042
0.55190183 0.76749881 0.03242398
0.63408683 0.80147785 0.06842038
0.62253598 0.59653618 0.00335351
0.70439926 0.63123975 0.03817161
0.71006773 0.73328153 0.07192349
0.31627312 0.43555016 0.34109742
0.33946422 0.27747390 0.24327287
0.10946470 0.76800782 0.89870747
0.99177508 0.69095196 -0.02331404
0.95072399 0.76250026 0.90752411
0.86029316 0.78417073 0.88614398
0.84280515 0.85717277 0.81805804
0.71925725 0.81621133 0.72440151
0.64734373 0.75271606 0.74419432
0.61591572 0.68264654 0.67728382
0.65866243 0.67779616 0.59183466
0.65052304 0.60378133 0.51190165
0.76375228 0.71971908 0.47910508
0.72746464 0.74490262 0.57246332
0.75902656 0.81555024 0.63685448
0.91270150 0.90786415 0.77475715
0.00354258 0.88418693 0.79671427
0.02111375 0.81012349 0.86259539
0.83698805 0.31850394 0.33971938
0.74680737 0.42752645 0.45375392
0.76513569 0.69002586 0.27852939
0.85612678 0.58001053 0.16522273
0.18838311 0.22925613 0.17346082
0.02227293 0.23203643 0.15068275
0.00209908 0.54410278 0.26268386
0.16584470 0.54221669 0.28364262
0.38776900 0.70323055 0.12438600
0.31611956 0.60105892 0.24187709
0.36618315 0.32438501 0.07352420
0.43810466 0.42835252 0.95606527
0.63852733 0.88153185 0.09414634
0.49179554 0.81959449 0.02920430
0.61709694 0.51693513 0.97805634
0.76365028 0.57831479 0.03919807
0.38993343 0.44065556 0.35119682
0.28927346 0.38699768 0.39478235
0.28548666 0.51359697 0.35200694
0.41324810 0.28058945 0.25318708
0.32787110 0.23397475 0.17875366
0.31145960 0.23298777 0.29917935
0.80486774 0.74712900 0.92006379
0.61899852 0.75591105 0.81348832
0.56195768 0.63090072 0.69321737
0.81456823 0.86509407 0.62033545
0.89521503 0.96550684 0.72366278
0.05895974 0.92176037 0.76341470
0.13161625 0.65821693 0.00544059
0.77401419 0.76007250 0.09994636
0.90836423 0.38338727 0.18825669
0.46362782 0.62900460 0.96889570
0.18651008 0.78725702 0.87619030
0.95376919 0.63744990 0.03186939
0.75190639 0.88009824 0.79500494
0.60041623 0.53116387 0.50267086
0.82361489 0.76255808 0.43840189
0.08547121 0.69822852 0.96662172
0.71670337 0.63212635 0.44657181
No title
1
14.735933 0.282139 -0.010118
0.278793 12.908168 -0.197707
-0.009729 -0.184565 14.525639
C H O N
43 30 7 2
Direct configuration= 168
0.75288771 0.56628276 0.37416408
0.77063809 0.46084611 0.39054587
0.82081056 0.39981185 0.32684198
0.78012096 0.60865187 0.29156577
0.83079139 0.54735741 0.22803115
0.85306441 0.44435914 0.24731527
0.00146458 0.38785234 0.20357181
0.05504977 0.30000855 0.17874303
0.14904688 0.29966664 0.19200727
0.04231294 0.47471901 0.24218858
0.13617097 0.47281105 0.25419453
0.19209346 0.38585373 0.23003184
0.29574510 0.38758822 0.24479171
0.33708016 0.45278382 0.16914905
0.34247459 0.56092052 0.18003285
0.38285892 0.61984487 0.11361858
0.37000858 0.40737791 0.08621959
0.41061108 0.46530228 0.01898703
0.41864366 0.57142009 0.03381056
0.54620978 0.66453397 0.00181635
0.55170932 0.76777951 0.03218517
0.63394753 0.80179470 0.06821336
0.62244208 0.59664978 0.00322807
0.70424635 0.63140357 0.03796089
0.71000883 0.73352151 0.07156837
0.31626232 0.43538461 0.34112934
0.33955184 0.27722406 0.24326236
0.10963109 0.76831044 0.89892920
0.99196325 0.69097599 -0.02340472
0.95085371 0.76241006 0.90743973
0.86035667 0.78405279 0.88607405
0.84282237 0.85717683 0.81802621
0.71931550 0.81623194 0.72449595
0.64720176 0.75283984 0.74416942
0.61580272 0.68283614 0.67726236
0.65858942 0.67781815 0.59184640
0.65051339 0.60378775 0.51195138
0.76383219 0.71972626 0.47921348
0.72749735 0.74496006 0.57253481
0.75918330 0.81556032 0.63695450
0.91276920 0.90808799 0.77478972
0.00359523 0.88440948 0.79687013
0.02119908 0.81031829 0.86269817
0.83725097 0.31837293 0.33988933
0.74715803 0.42745450 0.45398574
0.76498715 0.69008474 0.27861636
0.85578910 0.57993312 0.16515299
0.18844318 0.22902860 0.17313692
0.02231313 0.23188732 0.15043648
0.00197991 0.54385490 0.26303846
0.16572720 0.54197463 0.28398537
0.38793784 0.70332348 0.12451979
0.31642013 0.60105300 0.24217908
0.36592045 0.32425832 0.07342799
0.43769670 0.42831975 0.95583603
0.63839289 0.88198615 0.09380407
0.49158896 0.81991996 0.02903098
0.61697921 0.51693566 0.97794535
0.76358138 0.57834534 0.03891597
0.38992723 0.44066174 0.35119892
0.28935653 0.38673498 0.39480354
0.28536845 0.51342891 0.35207238
0.41336173 0.28035556 0.25310442
0.32796382 0.23372653 0.17877300
0.31157135 0.23268301 0.29916935
0.80493871 0.74677940 0.91984756
0.61870345 0.75616449 0.81330983
0.56170600 0.63104071 0.69308911
0.81480768 0.86491682 0.62054572
0.89518282 0.96580716 0.72374294
0.05900853 0.92211684 0.76359101
0.13165455 0.65845202 0.00562473
0.77395427 0.76041036 0.09961289
0.90837430 0.38329587 0.18821377
0.46346185 0.62908103 0.96878620
0.18663124 0.78776147 0.87656631
0.95395808 0.63714279 0.03177347
0.75196890 0.88014188 0.79504132
0.60037324 0.53116247 0.50266652
0.82381187 0.76256012 0.43844863
0.08557917 0.69839941 0.96671342
0.71683823 0.63211397 0.44663593
No title
1
14.733937 0.283273 -0.008042
0.279916 12.897974 -0.197426
-0.007702 -0.184089 14.529534
C H O N
43 30 7 2
Direct configuration= 169
0.75294521 0.56623402 0.37426034
0.77078000 0.46072697 0.39066228
0.82089837 0.39968020 0.32695930
0.78005214 0.60862164 0.29160115
0.83067214 0.54734284 0.22801977
0.85296982 0.44424995 0.24740069
0.00143561 0.38765819 0.20362090
0.05511517 0.29985649 0.17860172
0.14905031 0.29946326 0.19185689
0.04223448 0.47456753 0.24236891
0.13608709 0.47261063 0.25437010
0.19210634 0.38564889 0.23008814
0.29577187 0.38746483 0.24488407
0.33706927 0.45275997 0.16918794
0.34260237 0.56090860 0.18017897
0.38297023 0.61992803 0.11374622
0.36987473 0.40733130 0.08619864
0.41046581 0.46522035 0.01888716
0.41856227 0.57146358 0.03381846
0.54610089 0.66472159 0.00168690
0.55159636 0.76805885 0.03205347
0.63380670 0.80207227 0.06797674
0.62230516 0.59672401 0.00310159
0.70415440 0.63160090 0.03778951
0.70992441 0.73383858 0.07127377
0.31625869 0.43523723 0.34116157
0.33961760 0.27701045 0.24325584
0.10961861 0.76856900 0.89916600
0.99198256 0.69088067 -0.02337319
0.95092529 0.76237249 0.90735814
0.86046367 0.78400181 0.88594191
0.84281700 0.85721497 0.81801846
0.71936463 0.81626731 0.72456668
0.64711653 0.75298447 0.74412953
0.61564631 0.68289046 0.67721017
0.65852267 0.67786109 0.59181207
0.65047788 0.60379220 0.51203184
0.76401074 0.71981099 0.47921112
0.72751762 0.74499331 0.57257856
0.75931922 0.81559236 0.63704880
0.91277586 0.90828311 0.77487449
0.00362822 0.88456799 0.79698870
0.02131476 0.81050712 0.86278365
0.83748748 0.31829826 0.33999644
0.74747902 0.42742636 0.45413045
0.76484966 0.69014075 0.27868811
0.85554750 0.57989328 0.16504839
0.18848958 0.22884613 0.17284855
0.02236638 0.23175755 0.15020968
0.00185345 0.54363978 0.26332740
0.16563671 0.54183254 0.28428953
0.38809589 0.70338580 0.12462438
0.31669991 0.60101853 0.24240994
0.36569246 0.32410623 0.07333612
0.43734021 0.42828619 0.95564902
0.63827114 0.88226089 0.09346454
0.49145797 0.82014172 0.02887351
0.61685309 0.51689741 0.97785000
0.76355839 0.57838002 0.03867262
0.38990489 0.44063918 0.35120582
0.28944579 0.38650033 0.39480450
0.28529023 0.51326371 0.35214835
0.41343692 0.28017612 0.25304966
0.32805829 0.23348774 0.17875159
0.31167463 0.23242217 0.29917715
0.80498891 0.74647682 0.91967034
0.61841544 0.75640962 0.81321045
0.56148284 0.63115612 0.69298265
0.81498447 0.86476117 0.62073182
0.89516284 0.96609527 0.72383272
0.05907473 0.92246115 0.76369621
0.13170063 0.65862864 0.00575526
0.77389022 0.76066097 0.09931922
0.90847448 0.38316364 0.18811955
0.46333827 0.62912131 0.96868303
0.18687433 0.78821221 0.87690238
0.95415248 0.63693820 0.03163919
0.75210430 0.88014476 0.79508555
0.60036977 0.53118719 0.50264346
0.82391673 0.76247066 0.43853387
0.08578341 0.69855518 0.96679058
0.71691390 0.63208799 0.44674705
No title
1
14.732558 0.284056 -0.006608
0.280691 12.890930 -0.197232
-0.006301 -0.183759 14.532225
C H O N
43 30 7 2
Direct configuration= 170
0.75298494 0.56620030 0.37432683
0.77087805 0.46064457 0.39074268
0.82095905 0.39958916 0.32704033
0.78000458 0.60860074 0.29162559
0.83058974 0.54733277 0.22801192
0.85290446 0.44417446 0.24745970
0.00141561 0.38752394 0.20365481
0.05516038 0.29975134 0.17850410
0.14905271 0.29932263 0.19175302
0.04218025 0.47446279 0.24249348
0.13602912 0.47247204 0.25449139
0.19211525 0.38550725 0.23012703
0.29579036 0.38737951 0.24494787
0.33706175 0.45274348 0.16921480
0.34269066 0.56090035 0.18027988
0.38304713 0.61998552 0.11383437
0.36978224 0.40729909 0.08618418
0.41036545 0.46516371 0.01881819
0.41850603 0.57149365 0.03382393
0.54602564 0.66485133 0.00159750
0.55151829 0.76825202 0.03196251
0.63370938 0.80226421 0.06781331
0.62221055 0.59677535 0.00301425
0.70409087 0.63173736 0.03767113
0.70986607 0.73405783 0.07107028
0.31625618 0.43513532 0.34118384
0.33966305 0.27686274 0.24325134
0.10960995 0.76874778 0.89932956
0.99199590 0.69081476 -0.02335141
0.95097477 0.76234651 0.90730178
0.86053762 0.78396656 0.88585063
0.84281329 0.85724134 0.81801311
0.71939857 0.81629176 0.72461553
0.64705763 0.75308449 0.74410199
0.61553823 0.68292803 0.67717413
0.65847654 0.67789078 0.59178837
0.65045333 0.60379529 0.51208742
0.76413411 0.71986957 0.47920948
0.72753161 0.74501629 0.57260878
0.75941313 0.81561451 0.63711393
0.91278043 0.90841803 0.77493305
0.00365099 0.88467760 0.79707059
0.02139468 0.81063767 0.86284269
0.83765090 0.31824660 0.34007039
0.74770081 0.42740688 0.45423038
0.76475465 0.69017949 0.27873769
0.85538057 0.57986575 0.16497617
0.18852168 0.22871997 0.17264935
0.02240321 0.23166781 0.15005302
0.00176606 0.54349103 0.26352700
0.16557416 0.54173429 0.28449964
0.38820509 0.70342889 0.12469660
0.31689322 0.60099468 0.24256937
0.36553494 0.32400109 0.07327268
0.43709390 0.42826302 0.95551988
0.63818702 0.88245089 0.09323003
0.49136745 0.82029507 0.02876476
0.61676595 0.51687096 0.97778415
0.76354252 0.57840401 0.03850454
0.38988946 0.44062358 0.35121059
0.28950748 0.38633808 0.39480515
0.28523618 0.51314948 0.35220083
0.41348889 0.28005204 0.25301183
0.32812359 0.23332261 0.17873680
0.31174602 0.23224180 0.29918252
0.80502365 0.74626760 0.91954792
0.61821642 0.75657914 0.81314183
0.56132864 0.63123593 0.69290913
0.81510663 0.86465353 0.62086035
0.89514901 0.96629449 0.72389473
0.05912044 0.92269923 0.76376887
0.13173245 0.65875077 0.00584542
0.77384597 0.76083427 0.09911637
0.90854372 0.38307221 0.18805447
0.46325288 0.62914917 0.96861179
0.18704224 0.78852386 0.87713450
0.95428684 0.63679673 0.03154643
0.75219786 0.88014674 0.79511608
0.60036737 0.53120428 0.50262754
0.82398918 0.76240879 0.43859275
0.08592453 0.69866287 0.96684386
0.71696618 0.63207001 0.44682380
No title
1
14.730989 0.285482 -0.004508
0.282066 12.881371 -0.196880
-0.004256 -0.183214 14.536047
C H O N
43 30 7 2
Direct configuration= 171
0.75302793 0.56611743 0.37441467
0.77100447 0.46055711 0.39085379
0.82100778 0.39948877 0.32715121
0.77993894 0.60857623 0.29170970
0.83044880 0.54728698 0.22802586
0.85286509 0.44404454 0.24752812
0.00141125 0.38734102 0.20373434
0.05521101 0.29960714 0.17834853
0.14906804 0.29912777 0.19160311
0.04213447 0.47430574 0.24264173
0.13596678 0.47229675 0.25466641
0.19210297 0.38529214 0.23017348
0.29582307 0.38727002 0.24504397
0.33702552 0.45272437 0.16924984
0.34284704 0.56090155 0.18040869
0.38311590 0.62001883 0.11394708
0.36965031 0.40719751 0.08616168
0.41020266 0.46513342 0.01874414
0.41844277 0.57154625 0.03384023
0.54587966 0.66511035 0.00146564
0.55143454 0.76849840 0.03187054
0.63358354 0.80252773 0.06754370
0.62207005 0.59684334 0.00289115
0.70404989 0.63190435 0.03749516
0.70976674 0.73440274 0.07080673
0.31626445 0.43499288 0.34121548
0.33972053 0.27665720 0.24324539
0.10979927 0.76904815 0.89951677
0.99203837 0.69075504 -0.02337473
0.95103168 0.76233926 0.90724420
0.86061617 0.78388862 0.88572080
0.84286572 0.85731988 0.81801264
0.71944971 0.81633683 0.72464554
0.64697081 0.75321539 0.74405023
0.61539080 0.68295165 0.67710430
0.65841053 0.67797851 0.59176893
0.65045864 0.60384725 0.51215041
0.76419618 0.71987207 0.47927804
0.72757989 0.74507592 0.57264583
0.75946518 0.81557276 0.63720911
0.91275584 0.90859714 0.77505303
0.00370510 0.88487756 0.79711669
0.02149966 0.81078399 0.86294979
0.83788939 0.31815727 0.34014984
0.74800467 0.42738511 0.45435652
0.76461774 0.69022527 0.27880357
0.85518875 0.57984095 0.16485785
0.18856412 0.22855067 0.17236857
0.02246763 0.23153805 0.14982255
0.00161968 0.54330848 0.26379268
0.16548601 0.54162310 0.28478194
0.38836814 0.70351557 0.12479609
0.31717258 0.60093990 0.24276232
0.36531687 0.32385635 0.07318939
0.43675970 0.42821953 0.95534558
0.63806684 0.88266720 0.09289190
0.49126255 0.82048255 0.02861237
0.61662924 0.51682746 0.97770277
0.76350803 0.57848726 0.03827929
0.38986497 0.44057852 0.35122099
0.28959962 0.38610019 0.39480227
0.28517161 0.51299777 0.35229106
0.41354359 0.27989857 0.25297433
0.32822217 0.23308606 0.17869963
0.31184998 0.23199512 0.29919764
0.80510639 0.74601369 0.91936094
0.61793079 0.75683005 0.81307692
0.56110554 0.63133553 0.69281752
0.81529694 0.86454754 0.62102434
0.89514525 0.96657313 0.72401112
0.05916554 0.92302592 0.76385663
0.13184400 0.65887092 0.00597281
0.77377352 0.76104976 0.09883212
0.90859721 0.38294336 0.18797996
0.46315772 0.62918452 0.96853320
0.18713105 0.78891567 0.87751930
0.95441651 0.63655446 0.03148340
0.75231212 0.88013735 0.79515862
0.60034108 0.53118342 0.50259330
0.82419317 0.76236862 0.43860548
0.08604243 0.69883412 0.96690609
0.71701544 0.63204249 0.44695427
No title
1
14.728598 0.287655 -0.001310
0.284159 12.866807 -0.196345
-0.001141 -0.182382 14.541869
C H O N
43 30 7 2
Direct configuration= 172
0.75309343 0.56599108 0.37454846
0.77119708 0.46042373 0.39102299
0.82108204 0.39933569 0.32732010
0.77983891 0.60853888 0.29183782
0.83023404 0.54721719 0.22804711
0.85280512 0.44384647 0.24763233
0.00140463 0.38706214 0.20385547
0.05528821 0.29938729 0.17811156
0.14909146 0.29883067 0.19137478
0.04206471 0.47406630 0.24286754
0.13587178 0.47202949 0.25493301
0.19208427 0.38496416 0.23024423
0.29587292 0.38710307 0.24519033
0.33697032 0.45269523 0.16930320
0.34308530 0.56090335 0.18060484
0.38322065 0.62006960 0.11411874
0.36944932 0.40704267 0.08612744
0.40995463 0.46508727 0.01863138
0.41834639 0.57162644 0.03386508
0.54565722 0.66550530 0.00126483
0.55130692 0.76887407 0.03173047
0.63339181 0.80292954 0.06713307
0.62185599 0.59694704 0.00270369
0.70398746 0.63215898 0.03722714
0.70961539 0.73492864 0.07040533
0.31627706 0.43477571 0.34126368
0.33980815 0.27634382 0.24323633
0.11008765 0.76950607 0.89980186
0.99210308 0.69066399 -0.02341025
0.95111839 0.76232820 0.90715650
0.86073589 0.78376979 0.88552304
0.84294561 0.85743961 0.81801192
0.71952761 0.81640554 0.72469124
0.64683851 0.75341498 0.74397142
0.61516618 0.68298770 0.67699796
0.65830994 0.67811229 0.59173932
0.65046670 0.60392648 0.51224634
0.76429074 0.71987585 0.47938245
0.72765344 0.74516683 0.57270225
0.75954447 0.81550909 0.63735408
0.91271832 0.90887021 0.77523577
0.00378749 0.88518241 0.79718688
0.02165958 0.81100704 0.86311290
0.83825278 0.31802104 0.34027079
0.74846762 0.42735186 0.45454859
0.76440911 0.69029508 0.27890395
0.85489650 0.57980319 0.16467767
0.18862886 0.22829257 0.17194090
0.02256585 0.23134020 0.14947151
0.00139663 0.54303017 0.26419738
0.16535165 0.54145357 0.28521195
0.38861654 0.70364769 0.12494757
0.31759821 0.60085633 0.24305614
0.36498464 0.32363572 0.07306258
0.43625054 0.42815330 0.95508016
0.63788377 0.88299704 0.09237692
0.49110270 0.82076841 0.02838029
0.61642096 0.51676117 0.97757884
0.76345551 0.57861420 0.03793623
0.38982767 0.44050983 0.35123684
0.28974004 0.38573748 0.39479786
0.28507322 0.51276647 0.35242851
0.41362697 0.27966457 0.25291721
0.32837242 0.23272537 0.17864300
0.31200842 0.23161899 0.29922064
0.80523254 0.74562656 0.91907613
0.61749554 0.75721264 0.81297811
0.56076560 0.63148742 0.69267803
0.81558691 0.86438590 0.62127406
0.89513945 0.96699795 0.72418838
0.05923420 0.92352400 0.76399027
0.13201392 0.65905408 0.00616681
0.77366315 0.76137833 0.09839920
0.90867875 0.38274690 0.18786646
0.46301274 0.62923843 0.96841353
0.18726622 0.78951301 0.87810537
0.95461414 0.63618505 0.03138739
0.75248620 0.88012301 0.79522340
0.60030105 0.53115163 0.50254115
0.82450398 0.76230734 0.43862482
0.08622203 0.69909518 0.96700083
0.71709047 0.63200052 0.44715298
No title
1
14.727221 0.289154 0.001603
0.285641 12.854649 -0.195875
0.001703 -0.181682 14.545781
C H O N
43 30 7 2
Direct configuration= 173
0.75310933 0.56592164 0.37467619
0.77133410 0.46037008 0.39115982
0.82116887 0.39919366 0.32738420
0.77974553 0.60854898 0.29197766
0.83007976 0.54710645 0.22802357
0.85284472 0.44368052 0.24762040
0.00145209 0.38684175 0.20395400
0.05530280 0.29921310 0.17791621
0.14917511 0.29862071 0.19120545
0.04200668 0.47386296 0.24304461
0.13585743 0.47184290 0.25517051
0.19204554 0.38472161 0.23031000
0.29588601 0.38694323 0.24524270
0.33692711 0.45259646 0.16933833
0.34329759 0.56090414 0.18075384
0.38330098 0.62009239 0.11419589
0.36927510 0.40691303 0.08608951
0.40970932 0.46510179 0.01859932
0.41828398 0.57166493 0.03387660
0.54549817 0.66573447 0.00108945
0.55113940 0.76913770 0.03158611
0.63329728 0.80326695 0.06677532
0.62174650 0.59711723 0.00258094
0.70387755 0.63233438 0.03695910
0.70951409 0.73522893 0.07007222
0.31629071 0.43459684 0.34130325
0.33987821 0.27607904 0.24321597
0.11024958 0.76986101 0.90005846
0.99224724 0.69062885 -0.02350305
0.95122047 0.76232864 0.90714401
0.86078351 0.78360758 0.88539726
0.84306887 0.85752528 0.81804830
0.71954547 0.81643904 0.72473420
0.64666782 0.75351674 0.74391761
0.61505406 0.68311006 0.67693680
0.65823557 0.67827614 0.59175747
0.65044584 0.60393023 0.51225862
0.76439796 0.71987561 0.47945954
0.72770875 0.74524306 0.57274484
0.75960964 0.81544033 0.63743178
0.91276455 0.90915468 0.77534916
0.00385884 0.88545022 0.79723447
0.02176569 0.81122271 0.86319103
0.83855956 0.31785162 0.34036006
0.74881654 0.42729611 0.45474810
0.76423504 0.69032262 0.27899201
0.85467023 0.57974740 0.16459506
0.18869142 0.22806834 0.17158171
0.02265456 0.23116145 0.14915970
0.00120303 0.54281820 0.26450898
0.16522675 0.54129578 0.28553395
0.38883085 0.70378240 0.12507816
0.31795458 0.60077869 0.24327479
0.36471085 0.32346291 0.07297039
0.43584034 0.42810146 0.95489193
0.63772841 0.88332462 0.09197517
0.49096880 0.82102055 0.02819998
0.61623263 0.51674068 0.97750077
0.76339209 0.57879134 0.03767288
0.38982212 0.44042681 0.35125441
0.28985398 0.38541537 0.39480338
0.28499302 0.51261100 0.35256376
0.41368533 0.27948895 0.25288818
0.32850217 0.23244533 0.17861286
0.31214315 0.23131302 0.29923751
0.80539268 0.74536921 0.91880745
0.61716608 0.75753539 0.81287094
0.56047439 0.63159218 0.69257614
0.81582179 0.86428085 0.62146502
0.89515323 0.96731911 0.72439341
0.05925576 0.92391963 0.76408894
0.13219286 0.65918271 0.00629735
0.77356758 0.76165335 0.09804791
0.90860008 0.38262904 0.18787208
0.46289658 0.62931768 0.96837087
0.18747533 0.79003485 0.87856679
0.95472322 0.63586419 0.03134575
0.75251283 0.88011967 0.79524399
0.60029200 0.53115535 0.50251320
0.82471997 0.76221271 0.43866873
0.08625686 0.69925329 0.96714568
0.71716181 0.63197216 0.44729743
No title
1
14.725786 0.290716 0.004638
0.287186 12.841978 -0.195385
0.004667 -0.180952 14.549858
C H O N
43 30 7 2
Direct configuration= 174
0.75312589 0.56584918 0.37480928
0.77147689 0.46031408 0.39130236
0.82125937 0.39904547 0.32745097
0.77964817 0.60855952 0.29212339
0.82991897 0.54699095 0.22799908
0.85288602 0.44350739 0.24760795
0.00150156 0.38661182 0.20405666
0.05531806 0.29903139 0.17771266
0.14926237 0.29840166 0.19102900
0.04194619 0.47365082 0.24322912
0.13584245 0.47164823 0.25541798
0.19200518 0.38446858 0.23037855
0.29589966 0.38677647 0.24529726
0.33688206 0.45249341 0.16937495
0.34351885 0.56090494 0.18090905
0.38338469 0.62011615 0.11427626
0.36909352 0.40677780 0.08605003
0.40945362 0.46511697 0.01856596
0.41821892 0.57170510 0.03388861
0.54533238 0.66597357 0.00090675
0.55096478 0.76941277 0.03143571
0.63319877 0.80361897 0.06640257
0.62163237 0.59729481 0.00245305
0.70376301 0.63251739 0.03667983
0.70940853 0.73554223 0.06972514
0.31630495 0.43441023 0.34134449
0.33995128 0.27580280 0.24319474
0.11041829 0.77023126 0.90032579
0.99239753 0.69059217 -0.02359977
0.95132688 0.76232909 0.90713099
0.86083319 0.78343836 0.88526620
0.84319733 0.85761465 0.81808619
0.71956407 0.81647398 0.72477897
0.64648990 0.75362292 0.74386157
0.61493720 0.68323773 0.67687308
0.65815803 0.67844709 0.59177640
0.65042409 0.60393415 0.51227142
0.76450972 0.71987534 0.47953984
0.72776638 0.74532258 0.57278920
0.75967757 0.81536857 0.63751273
0.91281268 0.90945144 0.77546730
0.00393317 0.88572960 0.79728404
0.02187625 0.81144769 0.86327241
0.83887935 0.31767484 0.34045301
0.74918022 0.42723790 0.45495591
0.76405358 0.69035138 0.27908380
0.85443440 0.57968924 0.16450903
0.18875673 0.22783443 0.17120743
0.02274712 0.23097498 0.14883477
0.00100119 0.54259707 0.26483371
0.16509651 0.54113116 0.28586950
0.38905419 0.70392290 0.12521417
0.31832602 0.60069762 0.24350256
0.36442550 0.32328267 0.07287440
0.43541280 0.42804745 0.95469589
0.63756651 0.88366640 0.09155658
0.49082923 0.82128362 0.02801213
0.61603636 0.51671933 0.97741947
0.76332600 0.57897616 0.03739849
0.38981634 0.44034020 0.35127272
0.28997277 0.38507932 0.39480912
0.28490940 0.51244881 0.35270470
0.41374619 0.27930573 0.25285792
0.32863746 0.23215315 0.17858143
0.31228362 0.23099379 0.29925506
0.80555968 0.74510073 0.91852746
0.61682264 0.75787216 0.81275932
0.56017085 0.63170151 0.69247003
0.81606659 0.86417122 0.62166395
0.89516752 0.96765415 0.72460704
0.05927817 0.92433235 0.76419173
0.13237935 0.65931688 0.00643333
0.77346799 0.76194029 0.09768189
0.90851810 0.38250610 0.18787796
0.46277550 0.62940037 0.96832644
0.18769314 0.79057921 0.87904753
0.95483697 0.63552944 0.03130234
0.75254058 0.88011619 0.79526543
0.60028257 0.53115924 0.50248408
0.82494512 0.76211397 0.43871444
0.08629312 0.69941822 0.96729660
0.71723615 0.63194257 0.44744792
No title
1
14.723618 0.291660 0.008465
0.288177 12.828689 -0.194188
0.008405 -0.179449 14.552631
C H O N
43 30 7 2
Direct configuration= 175
0.75310219 0.56590017 0.37495064
0.77164873 0.46019954 0.39142269
0.82140779 0.39888247 0.32744644
0.77958372 0.60851034 0.29220204
0.82974550 0.54689784 0.22797621
0.85292721 0.44338236 0.24755545
0.00148635 0.38637651 0.20410051
0.05537871 0.29882124 0.17752349
0.14932751 0.29820553 0.19085255
0.04192138 0.47348378 0.24346320
0.13580141 0.47145469 0.25567230
0.19201179 0.38427382 0.23047667
0.29586788 0.38654562 0.24526334
0.33686968 0.45231820 0.16940151
0.34374224 0.56082116 0.18103491
0.38349307 0.62021615 0.11431406
0.36887051 0.40668880 0.08601293
0.40916421 0.46508570 0.01851404
0.41816240 0.57173375 0.03388186
0.54522190 0.66606106 0.00073673
0.55075578 0.76964672 0.03121639
0.63312623 0.80394286 0.06598691
0.62154255 0.59746885 0.00229277
0.70360112 0.63268934 0.03634941
0.70933699 0.73569044 0.06934422
0.31631196 0.43421208 0.34138003
0.34002871 0.27550449 0.24316870
0.11048092 0.77060506 0.90060321
0.99247182 0.69036872 -0.02351948
0.95144672 0.76235449 0.90714866
0.86100054 0.78325654 0.88514497
0.84329290 0.85766894 0.81814441
0.71948096 0.81643028 0.72483813
0.64628607 0.75375120 0.74386419
0.61478273 0.68341497 0.67688043
0.65810799 0.67862655 0.59175799
0.65040409 0.60397930 0.51226733
0.76470290 0.71988980 0.47959574
0.72778452 0.74535799 0.57280072
0.75984715 0.81538850 0.63758388
0.91298836 0.90979177 0.77557332
0.00400192 0.88603943 0.79737478
0.02197994 0.81172920 0.86329194
0.83921675 0.31742012 0.34054759
0.74952096 0.42713154 0.45523997
0.76385191 0.69037825 0.27918947
0.85418416 0.57958743 0.16452443
0.18885236 0.22756751 0.17080048
0.02284195 0.23074723 0.14845113
0.00080312 0.54234929 0.26514167
0.16496109 0.54094729 0.28619947
0.38929971 0.70405005 0.12536039
0.31872360 0.60062554 0.24373735
0.36411969 0.32309521 0.07278067
0.43494605 0.42803678 0.95459032
0.63739687 0.88418383 0.09116098
0.49062961 0.82163750 0.02783146
0.61582236 0.51682771 0.97738854
0.76322976 0.57924492 0.03712742
0.38985302 0.44021680 0.35129198
0.29009153 0.38469002 0.39483004
0.28482015 0.51231795 0.35287970
0.41380938 0.27912609 0.25284380
0.32878527 0.23186407 0.17858062
0.31243498 0.23065268 0.29925961
0.80571350 0.74482587 0.91823604
0.61649939 0.75822326 0.81259403
0.55991021 0.63186096 0.69234683
0.81628124 0.86405011 0.62186442
0.89519098 0.96802039 0.72486675
0.05928080 0.92476500 0.76427818
0.13253573 0.65948475 0.00650068
0.77335856 0.76225950 0.09729482
0.90841618 0.38236532 0.18796737
0.46262304 0.62952536 0.96833915
0.18798436 0.79118177 0.87955839
0.95503038 0.63536995 0.03107225
0.75247972 0.88013873 0.79527419
0.60024764 0.53112656 0.50246606
0.82508483 0.76193010 0.43884020
0.08638382 0.69950275 0.96755145
0.71733456 0.63192761 0.44755896
No title
1
14.722614 0.292096 0.010235
0.288636 12.822541 -0.193633
0.010134 -0.178753 14.553914
C H O N
43 30 7 2
Direct configuration= 176
0.75309121 0.56592378 0.37501604
0.77172825 0.46014648 0.39147834
0.82147648 0.39880696 0.32744433
0.77955388 0.60848757 0.29223844
0.82966523 0.54685472 0.22796566
0.85294629 0.44332445 0.24753117
0.00147932 0.38626752 0.20412080
0.05540680 0.29872391 0.17743597
0.14935769 0.29811470 0.19077091
0.04190988 0.47340640 0.24357149
0.13578240 0.47136504 0.25578996
0.19201484 0.38418360 0.23052206
0.29585319 0.38643870 0.24524765
0.33686396 0.45223704 0.16941380
0.34384561 0.56078233 0.18109311
0.38354321 0.62026246 0.11433153
0.36876732 0.40664759 0.08599580
0.40903028 0.46507123 0.01849006
0.41813624 0.57174702 0.03387874
0.54517079 0.66610160 0.00065809
0.55065908 0.76975510 0.03111495
0.63309270 0.80409290 0.06579462
0.62150099 0.59754947 0.00221863
0.70352624 0.63276900 0.03619656
0.70930392 0.73575911 0.06916800
0.31631521 0.43412030 0.34139648
0.34006456 0.27536633 0.24315666
0.11050986 0.77077819 0.90073153
0.99250620 0.69026522 -0.02348233
0.95150218 0.76236625 0.90715683
0.86107800 0.78317232 0.88508887
0.84333712 0.85769409 0.81817133
0.71944249 0.81641004 0.72486551
0.64619175 0.75381062 0.74386542
0.61471124 0.68349708 0.67688384
0.65808483 0.67870967 0.59174947
0.65039484 0.60400021 0.51226544
0.76479229 0.71989649 0.47962157
0.72779290 0.74537439 0.57280605
0.75992562 0.81539773 0.63761677
0.91306963 0.90994940 0.77562233
0.00403372 0.88618292 0.79741674
0.02202791 0.81185959 0.86330096
0.83937289 0.31730213 0.34059132
0.74967862 0.42708225 0.45537134
0.76375856 0.69039071 0.27923838
0.85406836 0.57954029 0.16453160
0.18889667 0.22744390 0.17061222
0.02288589 0.23064175 0.14827365
0.00071143 0.54223452 0.26528417
0.16489839 0.54086211 0.28635214
0.38941330 0.70410893 0.12542800
0.31890756 0.60059212 0.24384593
0.36397819 0.32300840 0.07273735
0.43473006 0.42803186 0.95454154
0.63731839 0.88442352 0.09097797
0.49053724 0.82180143 0.02774789
0.61572332 0.51687792 0.97737425
0.76318524 0.57936943 0.03700203
0.38987000 0.44015964 0.35130089
0.29014650 0.38450970 0.39483972
0.28477883 0.51225733 0.35296068
0.41383863 0.27904288 0.25283726
0.32885368 0.23173017 0.17858023
0.31250505 0.23049467 0.29926171
0.80578473 0.74469857 0.91810121
0.61634981 0.75838590 0.81251758
0.55978960 0.63193483 0.69228987
0.81638056 0.86399400 0.62195713
0.89520179 0.96819001 0.72498688
0.05928200 0.92496539 0.76431816
0.13260808 0.65956250 0.00653182
0.77330796 0.76240738 0.09711577
0.90836901 0.38230012 0.18800875
0.46255247 0.62958325 0.96834504
0.18811905 0.79146082 0.87979467
0.95511992 0.63529607 0.03096578
0.75245155 0.88014917 0.79527825
0.60023148 0.53111143 0.50245773
0.82514948 0.76184492 0.43889837
0.08642576 0.69954188 0.96766934
0.71738009 0.63192068 0.44761032
No title
1
14.720242 0.292763 0.013656
0.289359 12.810675 -0.192294
0.013472 -0.177107 14.556242
C H O N
43 30 7 2
Direct configuration= 177
0.75309036 0.56595041 0.37509847
0.77191103 0.45998014 0.39156611
0.82165327 0.39863141 0.32744694
0.77949822 0.60842589 0.29222516
0.82949595 0.54679910 0.22798402
0.85289310 0.44329299 0.24753480
0.00140269 0.38610061 0.20410519
0.05548084 0.29849382 0.17727783
0.14941144 0.29794290 0.19061616
0.04186880 0.47322543 0.24380676
0.13570469 0.47118332 0.25601516
0.19205177 0.38402864 0.23060540
0.29581876 0.38618770 0.24519817
0.33688885 0.45207673 0.16944619
0.34403853 0.56065229 0.18115330
0.38365199 0.62035748 0.11438184
0.36852560 0.40655353 0.08593528
0.40874708 0.46501440 0.01841532
0.41806769 0.57176692 0.03386700
0.54507619 0.66612828 0.00054790
0.55051614 0.76995111 0.03084833
0.63299724 0.80437538 0.06539064
0.62138682 0.59760299 0.00199434
0.70342774 0.63289223 0.03587627
0.70923871 0.73587434 0.06881363
0.31630875 0.43392546 0.34141173
0.34013699 0.27508899 0.24314116
0.11071032 0.77113271 0.90096299
0.99270262 0.69023813 -0.02355341
0.95168887 0.76239818 0.90718621
0.86131978 0.78304348 0.88497633
0.84337672 0.85776441 0.81815965
0.71936799 0.81635512 0.72486651
0.64600250 0.75395705 0.74388571
0.61451704 0.68366484 0.67689033
0.65800482 0.67881427 0.59172706
0.65036462 0.60407902 0.51226440
0.76482772 0.71978409 0.47979738
0.72785799 0.74547322 0.57282899
0.76004777 0.81539165 0.63771738
0.91318578 0.91020601 0.77577249
0.00414949 0.88654165 0.79751686
0.02213004 0.81205039 0.86338479
0.83968461 0.31703176 0.34066642
0.74997496 0.42694301 0.45566628
0.76356209 0.69041093 0.27933793
0.85383869 0.57943373 0.16460931
0.18900186 0.22721347 0.17022445
0.02298528 0.23041081 0.14787107
0.00054886 0.54199291 0.26554935
0.16478933 0.54069818 0.28665758
0.38965956 0.70422051 0.12556999
0.31929971 0.60052638 0.24405196
0.36367753 0.32285582 0.07265517
0.43427526 0.42805690 0.95452743
0.63716559 0.88500912 0.09062208
0.49029518 0.82220722 0.02759252
0.61552493 0.51709012 0.97739267
0.76307710 0.57966137 0.03675405
0.38993086 0.44000608 0.35130743
0.29025183 0.38410686 0.39486652
0.28470231 0.51214526 0.35314835
0.41390541 0.27888556 0.25283858
0.32899815 0.23145220 0.17859881
0.31264448 0.23015152 0.29925308
0.80588243 0.74441266 0.91784905
0.61605289 0.75871204 0.81238134
0.55961545 0.63214905 0.69215934
0.81659452 0.86391998 0.62212697
0.89523255 0.96860954 0.72522447
0.05928616 0.92538563 0.76437530
0.13277848 0.65969236 0.00657992
0.77319438 0.76270752 0.09673379
0.90838995 0.38208350 0.18809226
0.46239039 0.62971939 0.96837458
0.18817341 0.79199762 0.88035592
0.95513726 0.63500162 0.03088223
0.75239206 0.88018160 0.79532164
0.60018650 0.53107260 0.50246007
0.82540142 0.76174329 0.43896167
0.08653990 0.69968300 0.96785449
0.71746168 0.63194423 0.44767626
No title
1
14.719487 0.292975 0.014745
0.289590 12.806901 -0.191868
0.014534 -0.176584 14.556982
C H O N
43 30 7 2
Direct configuration= 178
0.75309009 0.56595889 0.37512468
0.77196918 0.45992717 0.39159402
0.82170953 0.39857551 0.32744776
0.77948051 0.60840626 0.29222095
0.82944208 0.54678140 0.22798987
0.85287618 0.44328298 0.24753596
0.00137831 0.38604747 0.20410023
0.05550441 0.29842056 0.17722753
0.14942855 0.29788820 0.19056693
0.04185572 0.47316780 0.24388160
0.13567995 0.47112545 0.25608680
0.19206351 0.38397929 0.23063191
0.29580781 0.38610778 0.24518244
0.33689677 0.45202568 0.16945649
0.34409991 0.56061087 0.18117244
0.38368660 0.62038773 0.11439783
0.36844870 0.40652358 0.08591606
0.40865698 0.46499632 0.01839157
0.41804589 0.57177325 0.03386327
0.54504610 0.66613678 0.00051286
0.55047068 0.77001354 0.03076353
0.63296689 0.80446534 0.06526215
0.62135051 0.59762003 0.00192300
0.70339643 0.63293148 0.03577439
0.70921799 0.73591105 0.06870091
0.31630670 0.43386342 0.34141659
0.34016005 0.27500068 0.24313624
0.11077407 0.77124558 0.90103658
0.99276513 0.69022950 -0.02357603
0.95174826 0.76240834 0.90719555
0.86139671 0.78300246 0.88494053
0.84338932 0.85778681 0.81815593
0.71934429 0.81633764 0.72486683
0.64594228 0.75400367 0.74389217
0.61445525 0.68371826 0.67689240
0.65797936 0.67884758 0.59171994
0.65035500 0.60410411 0.51226406
0.76483898 0.71974829 0.47985330
0.72787869 0.74550469 0.57283627
0.76008663 0.81538971 0.63774937
0.91322272 0.91028771 0.77582023
0.00418631 0.88665587 0.79754869
0.02216252 0.81211113 0.86341144
0.83978379 0.31694567 0.34069029
0.75006922 0.42689865 0.45576007
0.76349956 0.69041737 0.27936961
0.85376561 0.57939980 0.16463405
0.18903536 0.22714011 0.17010112
0.02301693 0.23033729 0.14774303
0.00049712 0.54191597 0.26563371
0.16475461 0.54064597 0.28675474
0.38973790 0.70425603 0.12561513
0.31942447 0.60050544 0.24411746
0.36358187 0.32280724 0.07262906
0.43413055 0.42806488 0.95452298
0.63711699 0.88519560 0.09050888
0.49021817 0.82233645 0.02754311
0.61546180 0.51715769 0.97739854
0.76304271 0.57975434 0.03667518
0.38995023 0.43995719 0.35130951
0.29028535 0.38397859 0.39487505
0.28467795 0.51210957 0.35320805
0.41392666 0.27883547 0.25283900
0.32904413 0.23136369 0.17860472
0.31268885 0.23004226 0.29925034
0.80591354 0.74432164 0.91776884
0.61595843 0.75881590 0.81233802
0.55956004 0.63221727 0.69211783
0.81666259 0.86389640 0.62218097
0.89524231 0.96874311 0.72530002
0.05928748 0.92551943 0.76439346
0.13283269 0.65973370 0.00659520
0.77315827 0.76280311 0.09661230
0.90839661 0.38201452 0.18811883
0.46233881 0.62976275 0.96838398
0.18819065 0.79216852 0.88053442
0.95514279 0.63490786 0.03085566
0.75237313 0.88019193 0.79533545
0.60017219 0.53106023 0.50246082
0.82548158 0.76171092 0.43898179
0.08657620 0.69972793 0.96791337
0.71748764 0.63195172 0.44769723
No title
1
14.718097 0.293284 0.016638
0.289970 12.798586 -0.190421
0.016366 -0.174842 14.558531
C H O N
43 30 7 2
Direct configuration= 179
0.75316998 0.56580685 0.37509101
0.77208165 0.45980435 0.39169010
0.82183712 0.39840522 0.32753622
0.77936917 0.60843104 0.29221732
0.82934214 0.54675804 0.22801215
0.85278836 0.44323750 0.24758606
0.00137890 0.38596181 0.20405616
0.05550545 0.29827199 0.17713151
0.14950196 0.29776770 0.19047582
0.04174410 0.47294901 0.24401938
0.13563437 0.47099497 0.25623465
0.19205146 0.38384438 0.23064070
0.29582261 0.38595350 0.24520860
0.33693305 0.45192991 0.16948622
0.34420451 0.56057225 0.18120826
0.38375909 0.62036626 0.11446710
0.36826062 0.40641103 0.08583300
0.40843259 0.46501245 0.01837559
0.41795231 0.57178312 0.03387079
0.54493884 0.66619806 0.00047653
0.55040490 0.77020946 0.03052832
0.63287079 0.80474528 0.06501453
0.62127017 0.59766773 0.00174959
0.70334352 0.63299662 0.03553751
0.70912778 0.73610200 0.06846512
0.31630446 0.43370624 0.34142458
0.34021335 0.27481806 0.24314521
0.11077236 0.77143601 0.90123748
0.99289709 0.69021600 -0.02357190
0.95196237 0.76242448 0.90720645
0.86150213 0.78296569 0.88486935
0.84339121 0.85782676 0.81809634
0.71936033 0.81637189 0.72485898
0.64581605 0.75410750 0.74384035
0.61433965 0.68386195 0.67681640
0.65788577 0.67889226 0.59175622
0.65026579 0.60411068 0.51227417
0.76496684 0.71972841 0.47990354
0.72792663 0.74559419 0.57291179
0.76011286 0.81533510 0.63783631
0.91317590 0.91044183 0.77593968
0.00428763 0.88689746 0.79769250
0.02232178 0.81222527 0.86351108
0.83999313 0.31676620 0.34071351
0.75027927 0.42678293 0.45592442
0.76336322 0.69042585 0.27942361
0.85362993 0.57935206 0.16468788
0.18910729 0.22704720 0.16983884
0.02311366 0.23018336 0.14743020
0.00040957 0.54175714 0.26580767
0.16469700 0.54054190 0.28697006
0.38992725 0.70433751 0.12572228
0.31973105 0.60042943 0.24421215
0.36335008 0.32272080 0.07257226
0.43382481 0.42806806 0.95451498
0.63701671 0.88555764 0.09022348
0.49006590 0.82261630 0.02744354
0.61532340 0.51723573 0.97740022
0.76301282 0.57991748 0.03649870
0.38998172 0.43980798 0.35128887
0.29035708 0.38367586 0.39487940
0.28464397 0.51200241 0.35335171
0.41398295 0.27873658 0.25285134
0.32915032 0.23114063 0.17861979
0.31277566 0.22976764 0.29923596
0.80598847 0.74410957 0.91759786
0.61573184 0.75904102 0.81232741
0.55945332 0.63238993 0.69203166
0.81683323 0.86389201 0.62228700
0.89528387 0.96910783 0.72546704
0.05933235 0.92585603 0.76439727
0.13299321 0.65976584 0.00664896
0.77307154 0.76299553 0.09631885
0.90847845 0.38180489 0.18815119
0.46221769 0.62985452 0.96838612
0.18826843 0.79259095 0.88093617
0.95509988 0.63471244 0.03076747
0.75237859 0.88018541 0.79539614
0.60016895 0.53109326 0.50248761
0.82560666 0.76159166 0.43910554
0.08669079 0.69992570 0.96794093
0.71748464 0.63199452 0.44773823
No title
1
14.717435 0.293431 0.017540
0.290152 12.794626 -0.189732
0.017238 -0.174013 14.559269
C H O N
43 30 7 2
Direct configuration= 180
0.75320803 0.56573440 0.37507497
0.77213521 0.45974582 0.39173585
0.82189789 0.39832405 0.32757834
0.77931615 0.60844285 0.29221559
0.82929454 0.54674690 0.22802276
0.85274654 0.44321582 0.24760992
0.00137918 0.38592100 0.20403517
0.05550596 0.29820119 0.17708580
0.14953693 0.29771028 0.19043243
0.04169093 0.47284474 0.24408500
0.13561265 0.47093279 0.25630506
0.19204572 0.38378009 0.23064490
0.29582965 0.38587997 0.24522106
0.33695033 0.45188428 0.16950038
0.34425434 0.56055384 0.18122532
0.38379361 0.62035602 0.11450008
0.36817106 0.40635740 0.08579347
0.40832571 0.46502014 0.01836799
0.41790774 0.57178783 0.03387437
0.54488776 0.66622727 0.00045924
0.55037357 0.77030284 0.03041632
0.63282503 0.80487870 0.06489662
0.62123191 0.59769047 0.00166701
0.70331833 0.63302768 0.03542471
0.70908483 0.73619301 0.06835283
0.31630339 0.43363133 0.34142840
0.34023874 0.27473103 0.24314949
0.11077153 0.77152674 0.90133314
0.99295995 0.69020956 -0.02356994
0.95206434 0.76243216 0.90721163
0.86155234 0.78294817 0.88483546
0.84339212 0.85784580 0.81806796
0.71936797 0.81638822 0.72485524
0.64575593 0.75415698 0.74381567
0.61428459 0.68393042 0.67678021
0.65784118 0.67891355 0.59177350
0.65022330 0.60411380 0.51227898
0.76502773 0.71971893 0.47992746
0.72794946 0.74563683 0.57294774
0.76012535 0.81530906 0.63787772
0.91315359 0.91051526 0.77599656
0.00433587 0.88701258 0.79776097
0.02239762 0.81227966 0.86355851
0.84009284 0.31668067 0.34072457
0.75037930 0.42672777 0.45600267
0.76329829 0.69042988 0.27944933
0.85356530 0.57932931 0.16471353
0.18914156 0.22700294 0.16971395
0.02315975 0.23011002 0.14728123
0.00036786 0.54168144 0.26589052
0.16466955 0.54049229 0.28707259
0.39001742 0.70437633 0.12577330
0.31987707 0.60039320 0.24425722
0.36323969 0.32267961 0.07254524
0.43367920 0.42806959 0.95451118
0.63696896 0.88573019 0.09008757
0.48999338 0.82274967 0.02739612
0.61525749 0.51727293 0.97740102
0.76299859 0.57999523 0.03641465
0.38999672 0.43973688 0.35127905
0.29039125 0.38353160 0.39488148
0.28462778 0.51195134 0.35342012
0.41400975 0.27868945 0.25285722
0.32920091 0.23103433 0.17862697
0.31281701 0.22963677 0.29922912
0.80602417 0.74400852 0.91751645
0.61562392 0.75914830 0.81232235
0.55940249 0.63247222 0.69199062
0.81691450 0.86388991 0.62233749
0.89530364 0.96928162 0.72554656
0.05935371 0.92601643 0.76439906
0.13306966 0.65978115 0.00667455
0.77303025 0.76308725 0.09617910
0.90851742 0.38170498 0.18816660
0.46216000 0.62989825 0.96838715
0.18830544 0.79279224 0.88112745
0.95507945 0.63461932 0.03072548
0.75238119 0.88018229 0.79542504
0.60016741 0.53110900 0.50250037
0.82566622 0.76153482 0.43916446
0.08674537 0.70001994 0.96795404
0.71748321 0.63201491 0.44775776
No title
1
14.716011 0.294449 0.018527
0.291149 12.786852 -0.188059
0.018158 -0.171991 14.561404
C H O N
43 30 7 2
Direct configuration= 181
0.75328056 0.56556756 0.37507044
0.77224921 0.45956502 0.39185925
0.82199947 0.39816334 0.32773903
0.77917246 0.60844428 0.29222028
0.82920421 0.54673560 0.22805581
0.85270470 0.44304310 0.24765724
0.00142260 0.38576382 0.20395963
0.05554294 0.29806894 0.17699545
0.14955333 0.29757493 0.19033637
0.04160602 0.47264533 0.24422651
0.13554118 0.47078783 0.25642847
0.19202322 0.38365665 0.23063242
0.29586864 0.38577741 0.24529866
0.33698461 0.45179149 0.16951433
0.34432564 0.56051845 0.18128243
0.38387498 0.62034623 0.11458627
0.36796339 0.40627471 0.08574389
0.40808749 0.46505356 0.01835853
0.41777760 0.57182167 0.03389149
0.54474835 0.66636756 0.00042981
0.55028455 0.77059068 0.03016460
0.63272809 0.80521025 0.06468599
0.62117089 0.59781439 0.00153475
0.70324085 0.63316130 0.03519864
0.70893965 0.73645240 0.06811121
0.31631189 0.43346551 0.34145728
0.34029805 0.27454851 0.24317244
0.11082447 0.77174659 0.90149756
0.99299169 0.69012017 -0.02345075
0.95216155 0.76245042 0.90720165
0.86165814 0.78292592 0.88479594
0.84337814 0.85782340 0.81803777
0.71937451 0.81646667 0.72492724
0.64565082 0.75430480 0.74376299
0.61417103 0.68409399 0.67668525
0.65780737 0.67899180 0.59176720
0.65019109 0.60422727 0.51232459
0.76511539 0.71968935 0.48001183
0.72792521 0.74560519 0.57301288
0.76023040 0.81533732 0.63794070
0.91313858 0.91070851 0.77607658
0.00437576 0.88724756 0.79793899
0.02259631 0.81245087 0.86362732
0.84029608 0.31648964 0.34072828
0.75058814 0.42660755 0.45611641
0.76315318 0.69048508 0.27947917
0.85347082 0.57932612 0.16472500
0.18921894 0.22696865 0.16946877
0.02327826 0.22998384 0.14695928
0.00030249 0.54152651 0.26605126
0.16462081 0.54038658 0.28728069
0.39021365 0.70440724 0.12587945
0.32019408 0.60030177 0.24432489
0.36298893 0.32256492 0.07247593
0.43340019 0.42805373 0.95447859
0.63687634 0.88602340 0.08976908
0.48990370 0.82297430 0.02729861
0.61512031 0.51719803 0.97736091
0.76303920 0.58007976 0.03623369
0.39000057 0.43955397 0.35123291
0.29046208 0.38322825 0.39486250
0.28461937 0.51179915 0.35356240
0.41407096 0.27859889 0.25287880
0.32931038 0.23079518 0.17864671
0.31288925 0.22933477 0.29921246
0.80612889 0.74380187 0.91735065
0.61540704 0.75935533 0.81233582
0.55927903 0.63263877 0.69191988
0.81704250 0.86387568 0.62244563
0.89536548 0.96967083 0.72573244
0.05941519 0.92637238 0.76439408
0.13321057 0.65982451 0.00668735
0.77294933 0.76326372 0.09587421
0.90853389 0.38152366 0.18820515
0.46203242 0.62997338 0.96837649
0.18835565 0.79322782 0.88153155
0.95508765 0.63453649 0.03052504
0.75240852 0.88014401 0.79548219
0.60008634 0.53105335 0.50252807
0.82586921 0.76145738 0.43927498
0.08691267 0.70011440 0.96806157
0.71744917 0.63200083 0.44773724
No title
1
14.715376 0.294903 0.018968
0.291593 12.783384 -0.187312
0.018568 -0.171089 14.562356
C H O N
43 30 7 2
Direct configuration= 182
0.75331293 0.56549308 0.37506842
0.77230008 0.45948429 0.39191430
0.82204479 0.39809158 0.32781071
0.77910834 0.60844492 0.29222238
0.82916390 0.54673056 0.22807055
0.85268604 0.44296599 0.24767835
0.00144198 0.38569366 0.20392594
0.05555945 0.29800991 0.17695516
0.14956065 0.29751451 0.19029353
0.04156814 0.47255631 0.24428964
0.13550929 0.47072311 0.25648353
0.19201319 0.38360154 0.23062686
0.29588603 0.38573162 0.24533328
0.33699990 0.45175006 0.16952056
0.34435745 0.56050265 0.18130790
0.38391129 0.62034186 0.11462471
0.36787074 0.40623780 0.08572179
0.40798120 0.46506849 0.01835431
0.41771953 0.57183678 0.03389913
0.54468615 0.66643019 0.00041668
0.55024482 0.77071920 0.03005231
0.63268484 0.80535828 0.06459203
0.62114366 0.59786971 0.00147575
0.70320628 0.63322097 0.03509780
0.70887487 0.73656822 0.06800342
0.31631568 0.43339149 0.34147017
0.34032452 0.27446703 0.24318268
0.11084808 0.77184471 0.90157089
0.99300586 0.69008026 -0.02339758
0.95220492 0.76245856 0.90719719
0.86170535 0.78291598 0.88477831
0.84337190 0.85781340 0.81802431
0.71937743 0.81650169 0.72495936
0.64560392 0.75437079 0.74373949
0.61412036 0.68416701 0.67664289
0.65779228 0.67902674 0.59176438
0.65017671 0.60427792 0.51234492
0.76515449 0.71967613 0.48004946
0.72791439 0.74559107 0.57304193
0.76027728 0.81534992 0.63796879
0.91313187 0.91079478 0.77611226
0.00439354 0.88735245 0.79801839
0.02268496 0.81252729 0.86365800
0.84038677 0.31640436 0.34072994
0.75068132 0.42655386 0.45616714
0.76308843 0.69050972 0.27949249
0.85342867 0.57932470 0.16473012
0.18925347 0.22695335 0.16935941
0.02333115 0.22992754 0.14681568
0.00027333 0.54145734 0.26612297
0.16459907 0.54033937 0.28737352
0.39030120 0.70442102 0.12592679
0.32033552 0.60026094 0.24435508
0.36287706 0.32251373 0.07244503
0.43327571 0.42804667 0.95446406
0.63683502 0.88615431 0.08962699
0.48986369 0.82307459 0.02725511
0.61505912 0.51716460 0.97734303
0.76305731 0.58011750 0.03615297
0.39000229 0.43947232 0.35121233
0.29049370 0.38309283 0.39485404
0.28461561 0.51173120 0.35362587
0.41409827 0.27855846 0.25288843
0.32935924 0.23068841 0.17865553
0.31292150 0.22919996 0.29920504
0.80617563 0.74370963 0.91727669
0.61531026 0.75944775 0.81234182
0.55922394 0.63271313 0.69188832
0.81709962 0.86386931 0.62249386
0.89539305 0.96984456 0.72581533
0.05944261 0.92653128 0.76439184
0.13327344 0.65984387 0.00669306
0.77291322 0.76334253 0.09573820
0.90854124 0.38144271 0.18822235
0.46197550 0.63000692 0.96837174
0.18837803 0.79342224 0.88171179
0.95509132 0.63449952 0.03043563
0.75242071 0.88012692 0.79550768
0.60005017 0.53102851 0.50254043
0.82595978 0.76142280 0.43932428
0.08698731 0.70015656 0.96810952
0.71743399 0.63199455 0.44772808
No title
1
14.713928 0.296309 0.018777
0.292934 12.776047 -0.186093
0.018327 -0.169551 14.565262
C H O N
43 30 7 2
Direct configuration= 183
0.75330063 0.56541365 0.37516996
0.77241489 0.45930342 0.39203483
0.82214332 0.39793860 0.32794580
0.77898142 0.60837066 0.29222346
0.82910879 0.54664586 0.22810066
0.85270225 0.44274675 0.24772053
0.00146145 0.38550551 0.20387147
0.05563891 0.29783439 0.17682428
0.14954121 0.29740967 0.19020646
0.04155961 0.47241183 0.24441748
0.13543725 0.47058942 0.25659029
0.19200972 0.38350637 0.23061686
0.29591283 0.38566258 0.24540093
0.33699265 0.45166953 0.16955228
0.34442684 0.56042424 0.18134784
0.38398755 0.62038881 0.11472078
0.36766313 0.40620006 0.08571952
0.40775208 0.46506610 0.01830682
0.41758185 0.57191010 0.03390515
0.54454736 0.66667480 0.00036711
0.55016230 0.77102734 0.02983415
0.63256154 0.80563206 0.06437697
0.62104994 0.59796049 0.00137012
0.70317690 0.63343253 0.03492340
0.70873316 0.73683014 0.06776485
0.31633319 0.43322101 0.34152807
0.34038819 0.27428543 0.24321857
0.11100217 0.77205963 0.90173393
0.99312788 0.69018711 -0.02346747
0.95223638 0.76249617 0.90717199
0.86179503 0.78286626 0.88477791
0.84342412 0.85778545 0.81802220
0.71938232 0.81659449 0.72502569
0.64548545 0.75454893 0.74375363
0.61400579 0.68435653 0.67660134
0.65778445 0.67910381 0.59171265
0.65010095 0.60426683 0.51233702
0.76521931 0.71963533 0.48011432
0.72794498 0.74556276 0.57309005
0.76037724 0.81538997 0.63801276
0.91318117 0.91099264 0.77618198
0.00441957 0.88766010 0.79810974
0.02276403 0.81269323 0.86373830
0.84057441 0.31618386 0.34073465
0.75086033 0.42641682 0.45626756
0.76293300 0.69061394 0.27949998
0.85337745 0.57936305 0.16470350
0.18934395 0.22695242 0.16914090
0.02346813 0.22985788 0.14651660
0.00022239 0.54130971 0.26626524
0.16454152 0.54020058 0.28754875
0.39049261 0.70438701 0.12602886
0.32061902 0.60018808 0.24444886
0.36261755 0.32237471 0.07236332
0.43303036 0.42802878 0.95441836
0.63675839 0.88643836 0.08931678
0.48980307 0.82326892 0.02715178
0.61494039 0.51702967 0.97728569
0.76311012 0.58016710 0.03597262
0.38999165 0.43926866 0.35115033
0.29055914 0.38280536 0.39481576
0.28463099 0.51154676 0.35375594
0.41416015 0.27847182 0.25291989
0.32946815 0.23046470 0.17869199
0.31297843 0.22889197 0.29918726
0.80631468 0.74352429 0.91713092
0.61514643 0.75961392 0.81229962
0.55908073 0.63286383 0.69183387
0.81719495 0.86385338 0.62258739
0.89546701 0.97022847 0.72601038
0.05944362 0.92684305 0.76443593
0.13343867 0.65987048 0.00669452
0.77283380 0.76350197 0.09543879
0.90845372 0.38130924 0.18826596
0.46184628 0.63005973 0.96836554
0.18845068 0.79386950 0.88206622
0.95501680 0.63430231 0.03036960
0.75243081 0.88008050 0.79556936
0.60000603 0.53107244 0.50260577
0.82617548 0.76135809 0.43945748
0.08704635 0.70014036 0.96829034
0.71739927 0.63193981 0.44767609
No title
1
14.713392 0.296830 0.018707
0.293431 12.773330 -0.185641
0.018238 -0.168982 14.566338
C H O N
43 30 7 2
Direct configuration= 184
0.75329608 0.56538421 0.37520756
0.77245742 0.45923639 0.39207947
0.82217982 0.39788190 0.32799582
0.77893442 0.60834315 0.29222387
0.82908839 0.54661448 0.22811181
0.85270827 0.44266550 0.24773616
0.00146867 0.38543579 0.20385130
0.05566835 0.29776936 0.17677582
0.14953401 0.29737083 0.19017422
0.04155646 0.47235829 0.24446481
0.13541057 0.47053988 0.25662983
0.19200844 0.38347110 0.23061316
0.29592276 0.38563700 0.24542598
0.33698997 0.45163969 0.16956403
0.34445254 0.56039518 0.18136263
0.38401579 0.62040621 0.11475635
0.36758624 0.40618609 0.08571868
0.40766722 0.46506522 0.01828924
0.41753086 0.57193727 0.03390738
0.54449595 0.66676544 0.00034875
0.55013172 0.77114154 0.02975336
0.63251587 0.80573352 0.06429733
0.62101522 0.59799413 0.00133100
0.70316602 0.63351093 0.03485882
0.70868066 0.73692721 0.06767652
0.31633969 0.43315784 0.34154951
0.34041178 0.27421814 0.24323186
0.11105924 0.77213925 0.90179429
0.99317307 0.69022670 -0.02349335
0.95224803 0.76251010 0.90716265
0.86182825 0.78284784 0.88477776
0.84344347 0.85777510 0.81802143
0.71938413 0.81662887 0.72505024
0.64544157 0.75461494 0.74375886
0.61396336 0.68442676 0.67658596
0.65778154 0.67913237 0.59169350
0.65007289 0.60426272 0.51233410
0.76524332 0.71962021 0.48013834
0.72795630 0.74555226 0.57310787
0.76041427 0.81540481 0.63802903
0.91319942 0.91106594 0.77620778
0.00442920 0.88777409 0.79814356
0.02279331 0.81275471 0.86376803
0.84064391 0.31610214 0.34073640
0.75092663 0.42636603 0.45630475
0.76287544 0.69065257 0.27950276
0.85335848 0.57937726 0.16469364
0.18937745 0.22695209 0.16905999
0.02351886 0.22983208 0.14640587
0.00020353 0.54125501 0.26631792
0.16452022 0.54014914 0.28761364
0.39056351 0.70437439 0.12606666
0.32072402 0.60016106 0.24448359
0.36252144 0.32232321 0.07233307
0.43293949 0.42802217 0.95440144
0.63672999 0.88654363 0.08920192
0.48978061 0.82334094 0.02711352
0.61489642 0.51697968 0.97726446
0.76312967 0.58018548 0.03590584
0.38998771 0.43919319 0.35112739
0.29058339 0.38269883 0.39480160
0.28463669 0.51147841 0.35380410
0.41418307 0.27843971 0.25293154
0.32950850 0.23038180 0.17870550
0.31299953 0.22877785 0.29918068
0.80636618 0.74345562 0.91707696
0.61508574 0.75967550 0.81228399
0.55902769 0.63291967 0.69181370
0.81723026 0.86384746 0.62262202
0.89549439 0.97037070 0.72608258
0.05944398 0.92695856 0.76445224
0.13349986 0.65988033 0.00669506
0.77280437 0.76356107 0.09532792
0.90842131 0.38125979 0.18828210
0.46179843 0.63007930 0.96836324
0.18847757 0.79403521 0.88219744
0.95498921 0.63422924 0.03034516
0.75243455 0.88006329 0.79559219
0.59998968 0.53108872 0.50262996
0.82625537 0.76133410 0.43950681
0.08706822 0.70013435 0.96835729
0.71738642 0.63191953 0.44765684
No title
1
14.712039 0.298112 0.018122
0.294691 12.764977 -0.184087
0.017600 -0.167046 14.568823
C H O N
43 30 7 2
Direct configuration= 185
0.75324134 0.56532686 0.37531826
0.77255859 0.45913589 0.39218365
0.82230541 0.39769386 0.32806222
0.77881623 0.60824950 0.29224479
0.82907384 0.54645087 0.22811134
0.85272341 0.44251896 0.24781109
0.00144401 0.38526721 0.20385267
0.05570764 0.29760124 0.17660153
0.14959417 0.29730461 0.19009842
0.04153405 0.47220005 0.24454323
0.13540352 0.47041864 0.25673822
0.19201030 0.38338404 0.23061675
0.29591554 0.38554029 0.24545692
0.33692946 0.45156389 0.16963296
0.34454474 0.56033745 0.18139617
0.38407421 0.62041095 0.11484456
0.36739267 0.40612223 0.08569775
0.40742555 0.46505309 0.01823733
0.41740120 0.57201322 0.03389983
0.54439479 0.66699148 0.00024770
0.55005258 0.77140913 0.02956760
0.63238491 0.80597958 0.06405862
0.62089067 0.59804072 0.00124155
0.70316747 0.63367447 0.03469046
0.70859693 0.73718386 0.06743767
0.31635507 0.43296552 0.34160379
0.34046982 0.27403126 0.24327736
0.11116488 0.77232928 0.90200815
0.99319178 0.69019694 -0.02346470
0.95236269 0.76257466 0.90714091
0.86186715 0.78279764 0.88476107
0.84357287 0.85779089 0.81803181
0.71938744 0.81670577 0.72504127
0.64532062 0.75480779 0.74377379
0.61385674 0.68463651 0.67656664
0.65773151 0.67919184 0.59167364
0.65004534 0.60425765 0.51229264
0.76535080 0.71958391 0.48013287
0.72809101 0.74558886 0.57313168
0.76043384 0.81539422 0.63809881
0.91325182 0.91126853 0.77628414
0.00448373 0.88809531 0.79820513
0.02276863 0.81294608 0.86384528
0.84082069 0.31584855 0.34075668
0.75107912 0.42618769 0.45643021
0.76271674 0.69071822 0.27950240
0.85332087 0.57941639 0.16468683
0.18948611 0.22696281 0.16885339
0.02366337 0.22976959 0.14610240
0.00015741 0.54110848 0.26645428
0.16444741 0.53997211 0.28776689
0.39076103 0.70435239 0.12618696
0.32098201 0.60010119 0.24461552
0.36224425 0.32220842 0.07224901
0.43270562 0.42800495 0.95434480
0.63666178 0.88686742 0.08889901
0.48968350 0.82357944 0.02699250
0.61479407 0.51690096 0.97722161
0.76313492 0.58027741 0.03572009
0.38999631 0.43896833 0.35106319
0.29064173 0.38239985 0.39476230
0.28466205 0.51128760 0.35393304
0.41424922 0.27834408 0.25297599
0.32962265 0.23017541 0.17876391
0.31305244 0.22846472 0.29915784
0.80651609 0.74326500 0.91696219
0.61495528 0.75981620 0.81220409
0.55887138 0.63307963 0.69176463
0.81733200 0.86385046 0.62269665
0.89556988 0.97075916 0.72628873
0.05939510 0.92725409 0.76454681
0.13370837 0.65984522 0.00673813
0.77271787 0.76373042 0.09502444
0.90833101 0.38110891 0.18830154
0.46166657 0.63014581 0.96836620
0.18865692 0.79451804 0.88251235
0.95499654 0.63416611 0.03017030
0.75245278 0.88003319 0.79568207
0.59989555 0.53110779 0.50271474
0.82640843 0.76122023 0.43971285
0.08705103 0.70016197 0.96847833
0.71734921 0.63190909 0.44765862
No title
1
14.711556 0.298570 0.017913
0.295141 12.761992 -0.183531
0.017373 -0.166354 14.569712
C H O N
43 30 7 2
Direct configuration= 186
0.75322178 0.56530635 0.37535782
0.77259476 0.45909994 0.39222088
0.82235031 0.39762660 0.32808596
0.77877400 0.60821601 0.29225227
0.82906864 0.54639236 0.22811118
0.85272883 0.44246655 0.24783787
0.00143520 0.38520692 0.20385317
0.05572169 0.29754113 0.17653925
0.14961567 0.29728094 0.19007133
0.04152606 0.47214345 0.24457126
0.13540101 0.47037529 0.25677696
0.19201097 0.38335291 0.23061804
0.29591297 0.38550570 0.24546798
0.33690784 0.45153678 0.16965759
0.34457769 0.56031680 0.18140816
0.38409509 0.62041264 0.11487608
0.36732349 0.40609941 0.08569028
0.40733918 0.46504877 0.01821877
0.41735486 0.57204038 0.03389713
0.54435862 0.66707232 0.00021158
0.55002429 0.77150484 0.02950122
0.63233810 0.80606759 0.06397331
0.62084616 0.59805739 0.00120959
0.70316798 0.63373296 0.03463030
0.70856700 0.73727567 0.06735231
0.31636058 0.43289674 0.34162320
0.34049057 0.27396442 0.24329363
0.11120263 0.77239723 0.90208456
0.99319846 0.69018629 -0.02345447
0.95240367 0.76259774 0.90713313
0.86188106 0.78277969 0.88475510
0.84361913 0.85779654 0.81803552
0.71938862 0.81673327 0.72503805
0.64527738 0.75487676 0.74377912
0.61381863 0.68471152 0.67655973
0.65771363 0.67921311 0.59166654
0.65003550 0.60425584 0.51227782
0.76538922 0.71957092 0.48013092
0.72813916 0.74560194 0.57314019
0.76044084 0.81539043 0.63812375
0.91327055 0.91134097 0.77631142
0.00450321 0.88821018 0.79822713
0.02275980 0.81301452 0.86387287
0.84088388 0.31575786 0.34076393
0.75113363 0.42612390 0.45647505
0.76266002 0.69074170 0.27950227
0.85330743 0.57943039 0.16468440
0.18952494 0.22696666 0.16877956
0.02371502 0.22974726 0.14599396
0.00014094 0.54105608 0.26650300
0.16442140 0.53990879 0.28782165
0.39083163 0.70434451 0.12622996
0.32107422 0.60007976 0.24466267
0.36214518 0.32216738 0.07221898
0.43262203 0.42799880 0.95432456
0.63663739 0.88698323 0.08879077
0.48964879 0.82366474 0.02694925
0.61475748 0.51687282 0.97720629
0.76313679 0.58031030 0.03565371
0.38999939 0.43888792 0.35104026
0.29066260 0.38229293 0.39474827
0.28467112 0.51121935 0.35397912
0.41427287 0.27830988 0.25299187
0.32966345 0.23010159 0.17878479
0.31307136 0.22835274 0.29914969
0.80656968 0.74319684 0.91692119
0.61490865 0.75986653 0.81217553
0.55881551 0.63313684 0.69174709
0.81736836 0.86385152 0.62272332
0.89559685 0.97089806 0.72636238
0.05937762 0.92735977 0.76458059
0.13378290 0.65983265 0.00675352
0.77268695 0.76379100 0.09491600
0.90829874 0.38105496 0.18830849
0.46161944 0.63016961 0.96836726
0.18872101 0.79469068 0.88262486
0.95499916 0.63414354 0.03010782
0.75245930 0.88002242 0.79571419
0.59986191 0.53111461 0.50274503
0.82646315 0.76117950 0.43978647
0.08704489 0.70017184 0.96852158
0.71733591 0.63190536 0.44765926
No title
1
14.710194 0.299699 0.016966
0.296254 12.754561 -0.182158
0.016383 -0.164645 14.571134
C H O N
43 30 7 2
Direct configuration= 187
0.75317726 0.56526143 0.37536200
0.77267860 0.45903391 0.39227775
0.82243231 0.39748095 0.32813137
0.77871454 0.60815300 0.29226356
0.82904025 0.54633050 0.22810693
0.85274664 0.44240257 0.24790679
0.00137184 0.38507549 0.20389146
0.05573960 0.29753208 0.17641214
0.14969931 0.29725197 0.18999642
0.04148268 0.47199978 0.24458389
0.13540782 0.47026860 0.25683965
0.19203553 0.38328381 0.23065005
0.29587469 0.38536778 0.24546851
0.33683120 0.45146631 0.16968818
0.34465232 0.56030799 0.18150190
0.38413615 0.62035803 0.11488991
0.36717643 0.40601809 0.08565825
0.40713971 0.46505687 0.01818674
0.41726774 0.57205547 0.03388070
0.54432425 0.66710719 0.00006775
0.54992381 0.77166219 0.02938337
0.63229041 0.80628798 0.06378334
0.62078560 0.59810057 0.00117451
0.70310246 0.63377007 0.03447284
0.70854813 0.73741141 0.06714368
0.31637000 0.43271784 0.34162235
0.34052996 0.27381653 0.24333499
0.11129345 0.77259324 0.90224810
0.99317429 0.69014352 -0.02346685
0.95247234 0.76264882 0.90715221
0.86196171 0.78276771 0.88469336
0.84370752 0.85786357 0.81805458
0.71935671 0.81677375 0.72503260
0.64522406 0.75503499 0.74370497
0.61372987 0.68485739 0.67653932
0.65769446 0.67930065 0.59168396
0.65005054 0.60431505 0.51228177
0.76540362 0.71950316 0.48020519
0.72822987 0.74557870 0.57312000
0.76046323 0.81539781 0.63816929
0.91331759 0.91152694 0.77636714
0.00451694 0.88838448 0.79831363
0.02279162 0.81320875 0.86391693
0.84100820 0.31553153 0.34080274
0.75123380 0.42594999 0.45658349
0.76254588 0.69067685 0.27950011
0.85327724 0.57942224 0.16474003
0.18964292 0.22696432 0.16862542
0.02380955 0.22964129 0.14572598
0.00010961 0.54093886 0.26660509
0.16436885 0.53977990 0.28794139
0.39099311 0.70437620 0.12635425
0.32125693 0.60003566 0.24478546
0.36191054 0.32211762 0.07215624
0.43244015 0.42798996 0.95427653
0.63658566 0.88726814 0.08855866
0.48951638 0.82391955 0.02683191
0.61469093 0.51691489 0.97720119
0.76308937 0.58043720 0.03550538
0.39004573 0.43869248 0.35099956
0.29069558 0.38202865 0.39473681
0.28469126 0.51109111 0.35408266
0.41432288 0.27821955 0.25304364
0.32975898 0.22995796 0.17884567
0.31311274 0.22810979 0.29913115
0.80665550 0.74302060 0.91688322
0.61482365 0.75996117 0.81211993
0.55869822 0.63329684 0.69170905
0.81742835 0.86385043 0.62277838
0.89564069 0.97120453 0.72652620
0.05935079 0.92761950 0.76467905
0.13390566 0.65979129 0.00678800
0.77264141 0.76396681 0.09469052
0.90829171 0.38089729 0.18829513
0.46152155 0.63026877 0.96837512
0.18877803 0.79502453 0.88289452
0.95499631 0.63410086 0.02999014
0.75251261 0.88001496 0.79578180
0.59973496 0.53107838 0.50280775
0.82663728 0.76110596 0.43991271
0.08715152 0.70022159 0.96857453
0.71730478 0.63195786 0.44772242
No title
1
14.708799 0.300854 0.015996
0.297393 12.746954 -0.180752
0.015371 -0.162895 14.572590
C H O N
43 30 7 2
Direct configuration= 188
0.75313168 0.56521543 0.37536628
0.77276443 0.45896625 0.39233598
0.82251627 0.39733176 0.32817786
0.77865368 0.60808847 0.29227511
0.82901118 0.54626714 0.22810258
0.85276488 0.44233704 0.24797734
0.00130699 0.38494087 0.20393067
0.05575792 0.29752283 0.17628203
0.14978493 0.29722231 0.18991975
0.04143829 0.47185263 0.24459682
0.13541482 0.47015933 0.25690382
0.19206067 0.38321304 0.23068282
0.29583550 0.38522653 0.24546906
0.33675275 0.45139412 0.16971950
0.34472872 0.56029896 0.18159787
0.38417818 0.62030209 0.11490408
0.36702588 0.40593481 0.08562547
0.40693550 0.46506519 0.01815393
0.41717855 0.57207093 0.03386387
0.54428905 0.66714293 -0.00007946
0.54982093 0.77182338 0.02926272
0.63224156 0.80651375 0.06358888
0.62072359 0.59814481 0.00113860
0.70303538 0.63380810 0.03431168
0.70852880 0.73755048 0.06693012
0.31637965 0.43253460 0.34162150
0.34057030 0.27366503 0.24337734
0.11138643 0.77279398 0.90241547
0.99314955 0.69009971 -0.02347951
0.95254263 0.76270112 0.90717174
0.86204427 0.78275544 0.88463017
0.84379801 0.85793223 0.81807409
0.71932403 0.81681522 0.72502701
0.64516945 0.75519707 0.74362906
0.61363899 0.68500680 0.67651842
0.65767484 0.67939031 0.59170178
0.65006594 0.60437570 0.51228582
0.76541838 0.71943374 0.48028122
0.72832273 0.74555489 0.57309934
0.76048616 0.81540536 0.63821590
0.91336573 0.91171740 0.77642415
0.00453100 0.88856299 0.79840215
0.02282417 0.81340769 0.86396202
0.84113549 0.31529970 0.34084249
0.75133637 0.42577185 0.45669451
0.76242903 0.69061043 0.27949790
0.85324635 0.57941389 0.16479696
0.18976369 0.22696194 0.16846766
0.02390632 0.22953279 0.14545170
0.00007755 0.54081880 0.26670958
0.16431508 0.53964787 0.28806395
0.39115842 0.70440862 0.12648147
0.32144400 0.59999044 0.24491115
0.36167033 0.32206669 0.07209200
0.43225395 0.42798093 0.95422736
0.63653267 0.88756000 0.08832106
0.48938081 0.82418056 0.02671177
0.61462279 0.51695799 0.97719596
0.76304080 0.58056721 0.03535354
0.39009318 0.43849230 0.35095793
0.29072937 0.38175796 0.39472510
0.28471190 0.51095973 0.35418864
0.41437409 0.27812703 0.25309664
0.32985680 0.22981084 0.17890801
0.31315513 0.22786095 0.29911218
0.80674338 0.74284009 0.91684439
0.61473662 0.76005813 0.81206300
0.55857813 0.63346073 0.69167009
0.81748976 0.86384931 0.62283475
0.89568556 0.97151840 0.72669385
0.05932331 0.92788551 0.76477981
0.13403135 0.65974890 0.00682331
0.77259475 0.76414693 0.09445972
0.90828452 0.38073581 0.18828147
0.46142132 0.63037035 0.96838316
0.18883638 0.79536644 0.88317051
0.95499338 0.63405716 0.02986970
0.75256720 0.88000730 0.79585101
0.59960499 0.53104128 0.50287194
0.82681557 0.76103061 0.44004194
0.08726068 0.70027253 0.96862873
0.71727290 0.63201162 0.44778706
No title
1
14.707867 0.301415 0.015440
0.297959 12.742385 -0.179995
0.014793 -0.161946 14.573299
C H O N
43 30 7 2
Direct configuration= 189
0.75310594 0.56519184 0.37536188
0.77281225 0.45890153 0.39237864
0.82255675 0.39724914 0.32821675
0.77862990 0.60805343 0.29227341
0.82897992 0.54625564 0.22811937
0.85278446 0.44228821 0.24800040
0.00127100 0.38486160 0.20395117
0.05578705 0.29750601 0.17620146
0.14981147 0.29720483 0.18986168
0.04142318 0.47178389 0.24460906
0.13539102 0.47009282 0.25693138
0.19208142 0.38316175 0.23070576
0.29581708 0.38513754 0.24547538
0.33671072 0.45135458 0.16971750
0.34477279 0.56027873 0.18165773
0.38419883 0.62029807 0.11492162
0.36693170 0.40590830 0.08561460
0.40682306 0.46505490 0.01812574
0.41713586 0.57207094 0.03384900
0.54425694 0.66717113 -0.00016153
0.54975715 0.77190054 0.02919370
0.63222243 0.80663824 0.06347041
0.62069476 0.59815848 0.00111372
0.70298769 0.63384446 0.03422638
0.70851084 0.73761241 0.06679452
0.31638888 0.43242466 0.34161603
0.34059629 0.27357415 0.24340132
0.11141615 0.77292261 0.90250972
0.99318840 0.69011503 -0.02353431
0.95257713 0.76273846 0.90718234
0.86209378 0.78273265 0.88460417
0.84383080 0.85799309 0.81807555
0.71932480 0.81685923 0.72503221
0.64512406 0.75528053 0.74359103
0.61359002 0.68508355 0.67649081
0.65767132 0.67944212 0.59170899
0.65001524 0.60435663 0.51230973
0.76546893 0.71942474 0.48031793
0.72835295 0.74554156 0.57311595
0.76051277 0.81541525 0.63822346
0.91338061 0.91183203 0.77646216
0.00454190 0.88866793 0.79844940
0.02287513 0.81349885 0.86401750
0.84120288 0.31516865 0.34087156
0.75139735 0.42567187 0.45674210
0.76236215 0.69055289 0.27949338
0.85323032 0.57940144 0.16483715
0.18984309 0.22695390 0.16837628
0.02396483 0.22947411 0.14529258
0.00006098 0.54074660 0.26676812
0.16428874 0.53958652 0.28814014
0.39125537 0.70441873 0.12655766
0.32154723 0.59997042 0.24499315
0.36152533 0.32203045 0.07205267
0.43214072 0.42798040 0.95420435
0.63650285 0.88773545 0.08818389
0.48929738 0.82433673 0.02663530
0.61458658 0.51699651 0.97719778
0.76301088 0.58063996 0.03526394
0.39012475 0.43836934 0.35093671
0.29074803 0.38159449 0.39472061
0.28472480 0.51088632 0.35424853
0.41439998 0.27806865 0.25313343
0.32991493 0.22972460 0.17894043
0.31317975 0.22771646 0.29910486
0.80680013 0.74274245 0.91682317
0.61469634 0.76011288 0.81202153
0.55850874 0.63356602 0.69164733
0.81751862 0.86384640 0.62287015
0.89570380 0.97170667 0.72678436
0.05931441 0.92804892 0.76484580
0.13408882 0.65972570 0.00684091
0.77258213 0.76426395 0.09432995
0.90827614 0.38064502 0.18828009
0.46136003 0.63043185 0.96838105
0.18886706 0.79556116 0.88333385
0.95496312 0.63399153 0.02984165
0.75259685 0.88000575 0.79587517
0.59957203 0.53108010 0.50291117
0.82689486 0.76096108 0.44012787
0.08733312 0.70030088 0.96865652
0.71725787 0.63202517 0.44780819
No title
1
14.705831 0.302637 0.014229
0.299195 12.732412 -0.178341
0.013533 -0.159875 14.574847
C H O N
43 30 7 2
Direct configuration= 190
0.75304978 0.56514034 0.37535226
0.77291664 0.45876021 0.39247173
0.82264510 0.39706875 0.32830162
0.77857801 0.60797693 0.29226970
0.82891168 0.54623052 0.22815600
0.85282720 0.44218160 0.24805075
0.00119246 0.38468854 0.20399591
0.05585063 0.29746931 0.17602564
0.14986939 0.29716665 0.18973496
0.04139022 0.47163383 0.24463578
0.13533911 0.46994760 0.25699152
0.19212670 0.38304977 0.23075584
0.29577687 0.38494326 0.24548920
0.33661901 0.45126825 0.16971313
0.34486897 0.56023455 0.18178836
0.38424389 0.62028928 0.11495991
0.36672615 0.40585043 0.08559086
0.40657766 0.46503245 0.01806420
0.41704269 0.57207097 0.03381655
0.54418685 0.66723273 -0.00034063
0.54961791 0.77206900 0.02904304
0.63218066 0.80691005 0.06321185
0.62063182 0.59818833 0.00105943
0.70288360 0.63392386 0.03404022
0.70847164 0.73774766 0.06649857
0.31640902 0.43218464 0.34160411
0.34065304 0.27337574 0.24345365
0.11148103 0.77320343 0.90271540
0.99327320 0.69014846 -0.02365390
0.95265242 0.76281997 0.90720546
0.86220185 0.78268290 0.88454744
0.84390236 0.85812597 0.81807872
0.71932649 0.81695532 0.72504356
0.64502497 0.75546276 0.74350802
0.61348314 0.68525113 0.67643057
0.65766364 0.67955525 0.59172471
0.64990458 0.60431499 0.51236192
0.76557927 0.71940507 0.48039807
0.72841890 0.74551245 0.57315220
0.76057085 0.81543682 0.63823994
0.91341308 0.91208229 0.77654508
0.00456569 0.88889704 0.79855250
0.02298636 0.81369786 0.86413858
0.84134997 0.31488253 0.34093501
0.75153044 0.42545357 0.45684598
0.76221618 0.69042728 0.27948352
0.85319536 0.57937425 0.16492485
0.19001637 0.22693635 0.16817687
0.02409253 0.22934602 0.14494535
0.00002485 0.54058895 0.26689586
0.16423126 0.53945256 0.28830641
0.39146697 0.70444078 0.12672395
0.32177254 0.59992669 0.24517212
0.36120885 0.32195134 0.07196682
0.43189358 0.42797927 0.95415413
0.63643774 0.88811853 0.08788452
0.48911526 0.82467771 0.02646839
0.61450753 0.51708060 0.97720175
0.76294556 0.58079881 0.03506841
0.39019365 0.43810091 0.35089041
0.29078879 0.38123760 0.39471081
0.28475297 0.51072604 0.35437924
0.41445648 0.27794118 0.25321370
0.33004179 0.22953632 0.17901119
0.31323351 0.22740100 0.29908891
0.80692399 0.74252928 0.91677689
0.61460842 0.76023242 0.81193103
0.55835728 0.63379591 0.69159765
0.81758159 0.86384004 0.62294742
0.89574360 0.97211770 0.72698185
0.05929497 0.92840565 0.76498978
0.13421426 0.65967503 0.00687933
0.77255454 0.76451945 0.09404673
0.90825785 0.38044679 0.18827709
0.46122623 0.63056611 0.96837645
0.18893400 0.79598626 0.88369029
0.95489707 0.63384825 0.02978043
0.75266155 0.88000238 0.79592790
0.59950007 0.53116484 0.50299677
0.82706792 0.76080926 0.44031541
0.08749122 0.70036274 0.96871717
0.71722505 0.63205473 0.44785430
No title
1
14.705234 0.302996 0.013874
0.299557 12.729485 -0.177855
0.013164 -0.159268 14.575301
C H O N
43 30 7 2
Direct configuration= 191
0.75303330 0.56512522 0.37534943
0.77294729 0.45871870 0.39249906
0.82267104 0.39701576 0.32832653
0.77856279 0.60795446 0.29226861
0.82889166 0.54622315 0.22816675
0.85283976 0.44215029 0.24806553
0.00116941 0.38463770 0.20400904
0.05586929 0.29745853 0.17597404
0.14988639 0.29715545 0.18969778
0.04138056 0.47158975 0.24464362
0.13532387 0.46990495 0.25700917
0.19214000 0.38301687 0.23077054
0.29576507 0.38488620 0.24549326
0.33659209 0.45124289 0.16971185
0.34489721 0.56022156 0.18182670
0.38425712 0.62028669 0.11497115
0.36666582 0.40583345 0.08558389
0.40650563 0.46502586 0.01804613
0.41701534 0.57207098 0.03380703
0.54416627 0.66725084 -0.00039320
0.54957703 0.77211849 0.02899883
0.63216839 0.80698990 0.06313597
0.62061335 0.59819710 0.00104349
0.70285304 0.63394719 0.03398558
0.70846012 0.73778740 0.06641172
0.31641494 0.43211414 0.34160062
0.34066970 0.27331745 0.24346902
0.11150007 0.77328590 0.90277576
0.99329808 0.69015828 -0.02368899
0.95267451 0.76284390 0.90721225
0.86223357 0.78266829 0.88453079
0.84392336 0.85816499 0.81807965
0.71932698 0.81698354 0.72504689
0.64499588 0.75551629 0.74348365
0.61345177 0.68530035 0.67641288
0.65766138 0.67958847 0.59172933
0.64987210 0.60430276 0.51237724
0.76561166 0.71939929 0.48042159
0.72843827 0.74550390 0.57316284
0.76058789 0.81544316 0.63824477
0.91342260 0.91215579 0.77656940
0.00457266 0.88896433 0.79858275
0.02301901 0.81375631 0.86417411
0.84139316 0.31479848 0.34095364
0.75156952 0.42538945 0.45687647
0.76217334 0.69039039 0.27948063
0.85318509 0.57936626 0.16495059
0.19006723 0.22693120 0.16811835
0.02413000 0.22930841 0.14484346
0.00001425 0.54054264 0.26693335
0.16421439 0.53941321 0.28835520
0.39152909 0.70444724 0.12677275
0.32183868 0.59991383 0.24522465
0.36111596 0.32192812 0.07194163
0.43182104 0.42797895 0.95413939
0.63641860 0.88823107 0.08779666
0.48906179 0.82477788 0.02641940
0.61448432 0.51710530 0.97720291
0.76292637 0.58084548 0.03501102
0.39021388 0.43802207 0.35087684
0.29080077 0.38113278 0.39470795
0.28476124 0.51067895 0.35441760
0.41447307 0.27790374 0.25323727
0.33007904 0.22948101 0.17903196
0.31324929 0.22730834 0.29908424
0.80696036 0.74246667 0.91676332
0.61458260 0.76026754 0.81190446
0.55831281 0.63386344 0.69158306
0.81760008 0.86383817 0.62297009
0.89575527 0.97223841 0.72703979
0.05928926 0.92851042 0.76503202
0.13425108 0.65966015 0.00689060
0.77254643 0.76459451 0.09396361
0.90825248 0.38038856 0.18827621
0.46118696 0.63060555 0.96837509
0.18895365 0.79611110 0.88379488
0.95487769 0.63380618 0.02976247
0.75268055 0.88000139 0.79594337
0.59947894 0.53118973 0.50302188
0.82711873 0.76076466 0.44037045
0.08753762 0.70038091 0.96873497
0.71721542 0.63206342 0.44786783
No title
1
14.704482 0.303604 0.013539
0.300175 12.724477 -0.176795
0.012798 -0.157975 14.575810
C H O N
43 30 7 2
Direct configuration= 192
0.75301049 0.56508046 0.37537395
0.77298630 0.45861726 0.39255578
0.82271456 0.39692475 0.32837634
0.77853546 0.60791823 0.29227806
0.82886088 0.54619729 0.22820743
0.85285412 0.44207064 0.24807208
0.00117175 0.38454639 0.20400717
0.05591107 0.29737232 0.17586548
0.14989258 0.29711375 0.18960613
0.04136268 0.47154156 0.24467614
0.13527855 0.46984734 0.25704061
0.19214244 0.38293571 0.23079061
0.29577130 0.38480081 0.24551448
0.33655859 0.45120480 0.16969728
0.34495165 0.56017853 0.18186921
0.38427346 0.62032693 0.11502789
0.36654965 0.40583301 0.08557071
0.40639356 0.46498717 0.01800392
0.41697606 0.57207907 0.03380035
0.54409382 0.66733812 -0.00044814
0.54951116 0.77221596 0.02892240
0.63213387 0.80710555 0.06298625
0.62056295 0.59821831 0.00099458
0.70281831 0.63401993 0.03391516
0.70842871 0.73788420 0.06626320
0.31643580 0.43199710 0.34161216
0.34070290 0.27320378 0.24349213
0.11152171 0.77344079 0.90287321
0.99337318 0.69010687 -0.02368174
0.95273683 0.76289612 0.90721074
0.86226093 0.78262694 0.88452096
0.84392166 0.85823354 0.81808015
0.71936854 0.81705899 0.72504779
0.64492844 0.75559579 0.74346726
0.61340878 0.68538045 0.67635816
0.65764165 0.67960451 0.59172400
0.64982051 0.60434088 0.51244969
0.76567962 0.71938796 0.48047676
0.72844658 0.74551938 0.57323285
0.76062459 0.81545914 0.63824990
0.91341496 0.91228953 0.77661990
0.00461007 0.88909021 0.79863419
0.02309528 0.81383288 0.86427040
0.84145468 0.31467436 0.34099456
0.75164317 0.42529028 0.45689726
0.76209323 0.69034112 0.27946290
0.85317130 0.57935179 0.16499041
0.19015904 0.22691804 0.16801524
0.02421082 0.22927797 0.14467792
-0.00000421 0.54046539 0.26699711
0.16418601 0.53936465 0.28844502
0.39163878 0.70443926 0.12685573
0.32194864 0.59989969 0.24532777
0.36094440 0.32187078 0.07189532
0.43168387 0.42797804 0.95411635
0.63638865 0.88842005 0.08763962
0.48898855 0.82492649 0.02632419
0.61444772 0.51711660 0.97719948
0.76290440 0.58090152 0.03490909
0.39024254 0.43787287 0.35085744
0.29082666 0.38094884 0.39469622
0.28478099 0.51058965 0.35447670
0.41449579 0.27783126 0.25328955
0.33014555 0.22937328 0.17904961
0.31327721 0.22714561 0.29908622
0.80704759 0.74238250 0.91672719
0.61455089 0.76033061 0.81184621
0.55822945 0.63399025 0.69155490
0.81763852 0.86384254 0.62300864
0.89576022 0.97246296 0.72712226
0.05929444 0.92870890 0.76511621
0.13429742 0.65963478 0.00691062
0.77254398 0.76473015 0.09381430
0.90821619 0.38030807 0.18829756
0.46110661 0.63065502 0.96834968
0.18899603 0.79633153 0.88397303
0.95488659 0.63378326 0.02968286
0.75269164 0.88001926 0.79593831
0.59942891 0.53120846 0.50305199
0.82721807 0.76068245 0.44045005
0.08757061 0.70040603 0.96876214
0.71720539 0.63202482 0.44784181
No title
1
14.702753 0.305003 0.012769
0.301595 12.712951 -0.174356
0.011956 -0.154999 14.576980
C H O N
43 30 7 2
Direct configuration= 193
0.75295802 0.56497742 0.37543036
0.77307608 0.45838373 0.39268631
0.82281472 0.39671525 0.32849096
0.77847260 0.60783483 0.29229981
0.82879007 0.54613776 0.22830105
0.85288719 0.44188730 0.24808716
0.00117714 0.38433621 0.20400287
0.05600721 0.29717389 0.17561569
0.14990682 0.29701779 0.18939526
0.04132156 0.47143062 0.24475097
0.13517427 0.46971472 0.25711296
0.19214807 0.38274890 0.23083680
0.29578564 0.38460425 0.24556333
0.33648151 0.45111713 0.16966377
0.34507693 0.56007945 0.18196703
0.38431106 0.62041953 0.11515843
0.36628234 0.40583202 0.08554035
0.40613567 0.46489811 0.01790679
0.41688567 0.57209769 0.03378500
0.54392709 0.66753905 -0.00057458
0.54935955 0.77244037 0.02874654
0.63205442 0.80737179 0.06264173
0.62044698 0.59826716 0.00088201
0.70273835 0.63418738 0.03375313
0.70835642 0.73810708 0.06592143
0.31648381 0.43172767 0.34163875
0.34077931 0.27294211 0.24354533
0.11157148 0.77379731 0.90309741
0.99354601 0.68998851 -0.02366504
0.95288023 0.76301632 0.90720728
0.86232389 0.78253175 0.88449835
0.84391774 0.85839133 0.81808129
0.71946416 0.81723266 0.72504987
0.64477325 0.75577881 0.74342954
0.61330987 0.68556485 0.67623226
0.65759624 0.67964142 0.59171176
0.64970178 0.60442863 0.51261640
0.76583602 0.71936186 0.48060373
0.72846571 0.74555500 0.57339394
0.76070904 0.81549593 0.63826169
0.91339735 0.91259738 0.77673607
0.00469615 0.88937995 0.79875254
0.02327078 0.81400910 0.86449197
0.84159626 0.31438863 0.34108873
0.75181265 0.42506200 0.45694512
0.76190891 0.69022772 0.27942211
0.85313957 0.57931848 0.16508205
0.19037029 0.22688778 0.16777798
0.02439676 0.22920793 0.14429704
-0.00004667 0.54028755 0.26714382
0.16412069 0.53925285 0.28865170
0.39189121 0.70442085 0.12704668
0.32220168 0.59986711 0.24556505
0.36054962 0.32173883 0.07178878
0.43136822 0.42797596 0.95406334
0.63631969 0.88885509 0.08727826
0.48881997 0.82526863 0.02610511
0.61436350 0.51714261 0.97719158
0.76285382 0.58103055 0.03467455
0.39030851 0.43752943 0.35081284
0.29088626 0.38052543 0.39466925
0.28482643 0.51038406 0.35461267
0.41454807 0.27766440 0.25340985
0.33029862 0.22912529 0.17909024
0.31334146 0.22677101 0.29909083
0.80724834 0.74218875 0.91664408
0.61447789 0.76047580 0.81171219
0.55803759 0.63428218 0.69149010
0.81772698 0.86385259 0.62309733
0.89577160 0.97297982 0.72731197
0.05930636 0.92916575 0.76530991
0.13440405 0.65957639 0.00695667
0.77253831 0.76504242 0.09347071
0.90813268 0.38012277 0.18834670
0.46092173 0.63076891 0.96829122
0.18909355 0.79683891 0.88438292
0.95490707 0.63373053 0.02949967
0.75271716 0.88006040 0.79592666
0.59931378 0.53125156 0.50312127
0.82744668 0.76049320 0.44063321
0.08764652 0.70046385 0.96882467
0.71718231 0.63193599 0.44778193
No title
1
14.702229 0.305906 0.012394
0.302486 12.707245 -0.172866
0.011536 -0.153202 14.577644
C H O N
43 30 7 2
Direct configuration= 194
0.75295096 0.56486666 0.37547994
0.77311484 0.45827730 0.39272007
0.82287178 0.39660460 0.32853960
0.77842314 0.60778505 0.29235225
0.82878356 0.54606475 0.22833964
0.85286476 0.44178242 0.24812202
0.00122105 0.38422491 0.20396612
0.05603137 0.29706710 0.17548779
0.14994570 0.29692685 0.18926728
0.04127666 0.47135125 0.24479238
0.13516134 0.46966475 0.25716823
0.19210710 0.38264584 0.23085135
0.29580925 0.38452119 0.24559063
0.33644875 0.45107147 0.16967331
0.34513439 0.56006539 0.18202652
0.38434258 0.62042573 0.11521756
0.36613352 0.40578826 0.08548796
0.40601188 0.46489779 0.01787769
0.41682590 0.57212142 0.03381269
0.54382083 0.66764420 -0.00060741
0.54927908 0.77260762 0.02865339
0.63199040 0.80753622 0.06245881
0.62036515 0.59835901 0.00081689
0.70269911 0.63426087 0.03366729
0.70833669 0.73829074 0.06576915
0.31651826 0.43159756 0.34167664
0.34082041 0.27278871 0.24356865
0.11164380 0.77397390 0.90321925
0.99365985 0.68994974 -0.02366526
0.95295090 0.76304862 0.90721869
0.86238139 0.78252551 0.88446509
0.84390407 0.85843504 0.81811249
0.71947810 0.81728510 0.72504585
0.64474916 0.75588801 0.74336730
0.61324776 0.68566474 0.67619626
0.65756555 0.67964965 0.59170693
0.64967463 0.60449170 0.51266106
0.76587971 0.71929111 0.48068572
0.72846922 0.74556724 0.57344678
0.76075897 0.81553896 0.63830692
0.91340332 0.91276537 0.77680458
0.00473005 0.88952561 0.79884141
0.02333597 0.81416162 0.86456397
0.84165829 0.31425772 0.34114836
0.75189614 0.42493596 0.45697390
0.76180205 0.69021126 0.27938541
0.85312180 0.57930224 0.16512723
0.19047575 0.22686826 0.16764808
0.02449381 0.22916935 0.14409206
-0.00008455 0.54021955 0.26722632
0.16407823 0.53919837 0.28875740
0.39202688 0.70443861 0.12715215
0.32234121 0.59983307 0.24567155
0.36033202 0.32168281 0.07173815
0.43119683 0.42795484 0.95401303
0.63628483 0.88904436 0.08707191
0.48876136 0.82541346 0.02598220
0.61431973 0.51709891 0.97717382
0.76283879 0.58107224 0.03455231
0.39033795 0.43733867 0.35079747
0.29092574 0.38030410 0.39464687
0.28485770 0.51026550 0.35467496
0.41457522 0.27756612 0.25348484
0.33038184 0.22898031 0.17909049
0.31337633 0.22657200 0.29910391
0.80735124 0.74208952 0.91660233
0.61443158 0.76055781 0.81166489
0.55793002 0.63444166 0.69144771
0.81779626 0.86387363 0.62313243
0.89576220 0.97325743 0.72739756
0.05933670 0.92942880 0.76541660
0.13443808 0.65955712 0.00697407
0.77252351 0.76520176 0.09327276
0.90810304 0.38002533 0.18837821
0.46081231 0.63081127 0.96824113
0.18913074 0.79710940 0.88459989
0.95493096 0.63367422 0.02942187
0.75270239 0.88012855 0.79590076
0.59923087 0.53125306 0.50315978
0.82760504 0.76041174 0.44070488
0.08768248 0.70045988 0.96888069
0.71716007 0.63191355 0.44779564
No title
1
14.700950 0.308113 0.011477
0.304665 12.693297 -0.169226
0.010509 -0.148810 14.579268
C H O N
43 30 7 2
Direct configuration= 195
0.75293371 0.56459577 0.37560116
0.77320962 0.45801697 0.39280265
0.82301130 0.39633397 0.32865851
0.77830224 0.60766330 0.29248046
0.82876767 0.54588618 0.22843399
0.85280994 0.44152589 0.24820726
0.00132840 0.38395273 0.20387631
0.05609045 0.29680595 0.17517518
0.15004073 0.29670447 0.18895445
0.04116692 0.47115714 0.24489364
0.13512973 0.46954251 0.25730333
0.19200698 0.38239379 0.23088693
0.29586700 0.38431803 0.24565737
0.33636868 0.45095981 0.16969664
0.34527489 0.56003096 0.18217195
0.38441964 0.62044088 0.11536208
0.36576971 0.40568128 0.08535990
0.40570924 0.46489703 0.01780654
0.41667979 0.57217945 0.03388037
0.54356103 0.66790139 -0.00068769
0.54908231 0.77301672 0.02842565
0.63183383 0.80793845 0.06201162
0.62016506 0.59858368 0.00065768
0.70260315 0.63444063 0.03345744
0.70828842 0.73873997 0.06539684
0.31660253 0.43127932 0.34176929
0.34092091 0.27241352 0.24362570
0.11182057 0.77440573 0.90351704
0.99393816 0.68985492 -0.02366576
0.95312366 0.76312759 0.90724658
0.86252198 0.78251027 0.88438378
0.84387064 0.85854195 0.81818875
0.71951216 0.81741336 0.72503602
0.64469024 0.75615511 0.74321511
0.61309591 0.68590906 0.67610825
0.65749052 0.67966979 0.59169512
0.64960827 0.60464592 0.51277022
0.76598656 0.71911804 0.48088616
0.72847778 0.74559716 0.57357596
0.76088103 0.81564416 0.63841747
0.91341788 0.91317619 0.77697201
0.00481291 0.88988182 0.79905862
0.02349532 0.81453461 0.86473995
0.84180995 0.31393754 0.34129416
0.75210026 0.42462769 0.45704427
0.76154081 0.69017105 0.27929569
0.85307838 0.57926249 0.16523768
0.19073356 0.22682054 0.16733053
0.02473105 0.22907506 0.14359099
-0.00017714 0.54005323 0.26742802
0.16397443 0.53906511 0.28901579
0.39235855 0.70448199 0.12740999
0.32268233 0.59974975 0.24593189
0.35980006 0.32154586 0.07161438
0.43077785 0.42790322 0.95389005
0.63619955 0.88950733 0.08656746
0.48861805 0.82576772 0.02568172
0.61421272 0.51699204 0.97713040
0.76280202 0.58117427 0.03425348
0.39040996 0.43687215 0.35075994
0.29102229 0.37976279 0.39459222
0.28493417 0.50997551 0.35482724
0.41464161 0.27732573 0.25366818
0.33058532 0.22862573 0.17909115
0.31346162 0.22608529 0.29913593
0.80760282 0.74184683 0.91650028
0.61431834 0.76075841 0.81154927
0.55766700 0.63483174 0.69134405
0.81796562 0.86392507 0.62321822
0.89573920 0.97393633 0.72760670
0.05941084 0.93007211 0.76567734
0.13452128 0.65950998 0.00701661
0.77248728 0.76559152 0.09278882
0.90803059 0.37978702 0.18845526
0.46054480 0.63091491 0.96811867
0.18922162 0.79777084 0.88513021
0.95498936 0.63353653 0.02923173
0.75266627 0.88029523 0.79583745
0.59902818 0.53125673 0.50325391
0.82799219 0.76021245 0.44088009
0.08777037 0.70045015 0.96901762
0.71710571 0.63185866 0.44782916
No title
1
14.699894 0.309093 0.011046
0.305646 12.686022 -0.167427
0.010025 -0.146634 14.580165
C H O N
43 30 7 2
Direct configuration= 196
0.75293335 0.56447193 0.37567415
0.77326186 0.45785272 0.39282051
0.82307220 0.39617946 0.32871856
0.77824323 0.60758209 0.29254351
0.82875129 0.54581029 0.22849535
0.85277489 0.44136790 0.24827121
0.00134393 0.38384168 0.20380439
0.05615034 0.29671164 0.17502776
0.15009844 0.29658637 0.18880181
0.04114699 0.47101698 0.24495016
0.13511114 0.46946250 0.25738499
0.19196574 0.38227905 0.23089571
0.29587262 0.38420450 0.24568423
0.33634085 0.45089785 0.16973286
0.34532976 0.56003128 0.18227619
0.38449051 0.62042868 0.11542125
0.36556565 0.40560361 0.08528229
0.40555247 0.46494042 0.01779362
0.41659109 0.57222013 0.03391997
0.54340358 0.66803257 -0.00071261
0.54898716 0.77323346 0.02828555
0.63175443 0.80820723 0.06178815
0.62006104 0.59870160 0.00056568
0.70254340 0.63456625 0.03333731
0.70824656 0.73896928 0.06519676
0.31664678 0.43110072 0.34181809
0.34096776 0.27220400 0.24364614
0.11189366 0.77458916 0.90369746
0.99403222 0.68986951 -0.02371251
0.95322654 0.76314937 0.90726270
0.86263611 0.78251565 0.88435214
0.84388353 0.85862906 0.81820562
0.71948980 0.81745351 0.72502634
0.64468765 0.75628811 0.74312806
0.61300160 0.68604649 0.67610018
0.65745783 0.67972844 0.59172380
0.64953180 0.60456822 0.51270765
0.76612869 0.71905226 0.48090671
0.72851064 0.74561049 0.57358765
0.76093893 0.81568984 0.63847312
0.91342894 0.91338826 0.77707720
0.00483323 0.89016196 0.79914951
0.02353311 0.81474504 0.86482583
0.84188302 0.31376886 0.34138807
0.75219771 0.42444256 0.45710494
0.76139182 0.69017902 0.27924515
0.85305024 0.57923733 0.16529682
0.19087957 0.22675165 0.16713596
0.02482289 0.22896300 0.14328888
-0.00025812 0.53999136 0.26754222
0.16391535 0.53900285 0.28915492
0.39253850 0.70453632 0.12755224
0.32287894 0.59967847 0.24604078
0.35949937 0.32147815 0.07154868
0.43053948 0.42786604 0.95380586
0.63614847 0.88972476 0.08627397
0.48853867 0.82595993 0.02551305
0.61415251 0.51695100 0.97711008
0.76278001 0.58120751 0.03409601
0.39045937 0.43661586 0.35075963
0.29108271 0.37946950 0.39456452
0.28498082 0.50982236 0.35490384
0.41468345 0.27717577 0.25377875
0.33070159 0.22842219 0.17907802
0.31350955 0.22582182 0.29916050
0.80773006 0.74171384 0.91644800
0.61425794 0.76087893 0.81148818
0.55750917 0.63504336 0.69128299
0.81808737 0.86397154 0.62325037
0.89571635 0.97427786 0.72772609
0.05945345 0.93042782 0.76583917
0.13456999 0.65947009 0.00706186
0.77246685 0.76581382 0.09251432
0.90805916 0.37963245 0.18849044
0.46040175 0.63096135 0.96807173
0.18931577 0.79814248 0.88541346
0.95503376 0.63338368 0.02918731
0.75263132 0.88044100 0.79581161
0.59896921 0.53135450 0.50332613
0.82810357 0.76002733 0.44104385
0.08787033 0.70045265 0.96907961
0.71707304 0.63187347 0.44794401
No title
1
14.698921 0.309996 0.010650
0.306549 12.679325 -0.165772
0.009580 -0.144631 14.580990
C H O N
43 30 7 2
Direct configuration= 197
0.75293303 0.56435784 0.37574135
0.77330997 0.45770143 0.39283697
0.82312828 0.39603713 0.32877386
0.77818892 0.60750728 0.29260156
0.82873622 0.54574037 0.22855184
0.85274263 0.44122236 0.24833008
0.00135824 0.38373941 0.20373819
0.05620547 0.29662478 0.17489207
0.15015157 0.29647761 0.18866133
0.04112866 0.47088788 0.24500221
0.13509402 0.46938880 0.25746016
0.19192779 0.38217336 0.23090380
0.29587780 0.38409993 0.24570896
0.33631523 0.45084076 0.16976621
0.34538027 0.56003156 0.18237215
0.38455576 0.62041744 0.11547573
0.36537779 0.40553208 0.08521084
0.40540815 0.46498039 0.01778172
0.41650943 0.57225761 0.03395642
0.54325861 0.66815341 -0.00073557
0.54889955 0.77343314 0.02815656
0.63168130 0.80845485 0.06158242
0.61996526 0.59881024 0.00048098
0.70248837 0.63468198 0.03322671
0.70820800 0.73918054 0.06501256
0.31668754 0.43093621 0.34186303
0.34101091 0.27201100 0.24366499
0.11196095 0.77475809 0.90386352
0.99411881 0.68988295 -0.02375554
0.95332126 0.76316941 0.90727754
0.86274117 0.78252061 0.88432302
0.84389539 0.85870930 0.81822113
0.71946921 0.81749049 0.72501744
0.64468525 0.75641063 0.74304792
0.61291475 0.68617309 0.67609274
0.65742773 0.67978246 0.59175020
0.64946141 0.60449667 0.51265005
0.76625955 0.71899166 0.48092563
0.72854089 0.74562277 0.57359840
0.76099224 0.81573191 0.63852434
0.91343910 0.91358358 0.77717400
0.00485192 0.89041997 0.79923313
0.02356789 0.81493885 0.86490486
0.84195031 0.31361346 0.34147453
0.75228744 0.42427202 0.45716081
0.76125464 0.69018639 0.27919861
0.85302433 0.57921414 0.16535126
0.19101399 0.22668820 0.16695686
0.02490744 0.22885983 0.14301081
-0.00033266 0.53993436 0.26764735
0.16386097 0.53894548 0.28928300
0.39270417 0.70458632 0.12768319
0.32305995 0.59961279 0.24614103
0.35922254 0.32141581 0.07148821
0.43032003 0.42783182 0.95372836
0.63610142 0.88992508 0.08600379
0.48846556 0.82613702 0.02535777
0.61409709 0.51691320 0.97709139
0.76275973 0.58123815 0.03395107
0.39050489 0.43637980 0.35075937
0.29113835 0.37919935 0.39453906
0.28502379 0.50968129 0.35497436
0.41472198 0.27703763 0.25388055
0.33080866 0.22823470 0.17906595
0.31355370 0.22557912 0.29918314
0.80784721 0.74159135 0.91639989
0.61420232 0.76098995 0.81143193
0.55736384 0.63523830 0.69122676
0.81819945 0.86401434 0.62327997
0.89569530 0.97459243 0.72783595
0.05949265 0.93075544 0.76598809
0.13461485 0.65943335 0.00710353
0.77244802 0.76601863 0.09226162
0.90808548 0.37949007 0.18852283
0.46027005 0.63100415 0.96802852
0.18940243 0.79848475 0.88567415
0.95507466 0.63324289 0.02914644
0.75259913 0.88057528 0.79578782
0.59891492 0.53144456 0.50339259
0.82820612 0.75985678 0.44119461
0.08796236 0.70045494 0.96913668
0.71704297 0.63188710 0.44804972
No title
1
14.697522 0.311451 0.010127
0.307946 12.671447 -0.164088
0.009002 -0.142578 14.581871
C H O N
43 30 7 2
Direct configuration= 198
0.75292025 0.56430614 0.37584860
0.77334802 0.45749925 0.39288895
0.82317487 0.39582721 0.32883703
0.77812764 0.60745016 0.29263828
0.82869454 0.54567844 0.22863953
0.85274578 0.44104003 0.24837713
0.00133374 0.38365565 0.20365212
0.05628586 0.29652985 0.17472329
0.15021953 0.29637446 0.18852653
0.04112589 0.47075900 0.24508204
0.13505920 0.46926449 0.25755293
0.19194543 0.38207200 0.23090474
0.29584402 0.38394658 0.24573016
0.33630264 0.45076888 0.16980291
0.34544225 0.55998931 0.18245882
0.38465363 0.62045373 0.11557293
0.36514950 0.40550438 0.08516929
0.40523308 0.46498931 0.01776075
0.41641796 0.57231798 0.03396309
0.54309136 0.66828298 -0.00076416
0.54881453 0.77363664 0.02797994
0.63162034 0.80872448 0.06134084
0.61986563 0.59888754 0.00037842
0.70241732 0.63484934 0.03307943
0.70812116 0.73938763 0.06477825
0.31672901 0.43071846 0.34189058
0.34104978 0.27178397 0.24367761
0.11206172 0.77494567 0.90404539
0.99410389 0.68984247 -0.02374809
0.95343905 0.76320647 0.90727421
0.86285247 0.78251157 0.88431769
0.84393044 0.85885464 0.81820327
0.71946280 0.81756688 0.72499865
0.64463444 0.75651393 0.74303830
0.61281835 0.68632503 0.67608278
0.65740382 0.67988107 0.59177724
0.64946540 0.60452677 0.51258495
0.76632034 0.71887856 0.48102131
0.72862196 0.74565400 0.57358164
0.76105411 0.81574686 0.63851866
0.91343425 0.91385245 0.77727030
0.00486132 0.89082650 0.79932171
0.02360070 0.81516120 0.86500455
0.84202745 0.31341018 0.34159866
0.75238670 0.42404537 0.45724165
0.76109038 0.69017833 0.27915643
0.85298415 0.57917832 0.16542089
0.19118055 0.22655824 0.16670986
0.02497595 0.22869306 0.14265268
-0.00043259 0.53984587 0.26776532
0.16379414 0.53888286 0.28943770
0.39290271 0.70464643 0.12783447
0.32328196 0.59952800 0.24625927
0.35887088 0.32132436 0.07140617
0.43002692 0.42781464 0.95364947
0.63603755 0.89020334 0.08566965
0.48834713 0.82638375 0.02516312
0.61402541 0.51694744 0.97708494
0.76270417 0.58127854 0.03378191
0.39057924 0.43609486 0.35078608
0.29121114 0.37886851 0.39452203
0.28508012 0.50952417 0.35505805
0.41477212 0.27684425 0.25401205
0.33094791 0.22799924 0.17904837
0.31360912 0.22528806 0.29920871
0.80799414 0.74145327 0.91633420
0.61415260 0.76114349 0.81133445
0.55716079 0.63546934 0.69116153
0.81834665 0.86406984 0.62331152
0.89566282 0.97491747 0.72799612
0.05953433 0.93116327 0.76619291
0.13470279 0.65934870 0.00720470
0.77242990 0.76628863 0.09194476
0.90815764 0.37929357 0.18855771
0.46012254 0.63106149 0.96802598
0.18950056 0.79889416 0.88600194
0.95520496 0.63307691 0.02907358
0.75257887 0.88077928 0.79578332
0.59876432 0.53143273 0.50344150
0.82838561 0.75965552 0.44133517
0.08809383 0.70050647 0.96915864
0.71705286 0.63183813 0.44814899
No title
1
14.695670 0.313377 0.009435
0.309794 12.661026 -0.161860
0.008237 -0.139863 14.583037
C H O N
43 30 7 2
Direct configuration= 199
0.75290336 0.56423767 0.37599048
0.77339839 0.45723161 0.39295773
0.82323654 0.39554932 0.32892063
0.77804657 0.60737456 0.29268687
0.82863942 0.54559646 0.22875553
0.85274998 0.44079868 0.24843939
0.00130133 0.38354480 0.20353828
0.05639222 0.29640422 0.17450007
0.15030945 0.29623796 0.18834825
0.04112226 0.47058840 0.24518765
0.13501316 0.46909994 0.25767564
0.19196878 0.38193784 0.23090600
0.29579936 0.38374360 0.24575823
0.33628600 0.45067373 0.16985146
0.34552425 0.55993337 0.18257346
0.38478311 0.62050173 0.11570150
0.36484749 0.40546775 0.08511432
0.40500148 0.46500115 0.01773301
0.41629695 0.57239792 0.03397189
0.54287007 0.66845450 -0.00080202
0.54870202 0.77390607 0.02774630
0.63153963 0.80908144 0.06102126
0.61973381 0.59898990 0.00024274
0.70232328 0.63507090 0.03288460
0.70800624 0.73966181 0.06446828
0.31678391 0.43043022 0.34192704
0.34110123 0.27148346 0.24369433
0.11219503 0.77519392 0.90428594
0.99408416 0.68978889 -0.02373824
0.95359487 0.76325550 0.90726981
0.86299970 0.78249958 0.88431064
0.84397679 0.85904702 0.81817963
0.71945430 0.81766800 0.72497378
0.64456721 0.75665067 0.74302555
0.61269079 0.68652617 0.67606958
0.65737218 0.68001159 0.59181300
0.64947066 0.60456662 0.51249883
0.76640079 0.71872883 0.48114788
0.72872920 0.74569533 0.57355947
0.76113597 0.81576664 0.63851114
0.91342779 0.91420832 0.77739765
0.00487369 0.89136459 0.79943881
0.02364408 0.81545548 0.86513639
0.84212953 0.31314108 0.34176287
0.75251805 0.42374534 0.45734860
0.76087306 0.69016770 0.27910063
0.85293102 0.57913090 0.16551299
0.19140091 0.22638624 0.16638317
0.02506659 0.22847238 0.14217900
-0.00056478 0.53972872 0.26792137
0.16370574 0.53879996 0.28964233
0.39316537 0.70472593 0.12803459
0.32357567 0.59941571 0.24641570
0.35840566 0.32120338 0.07129764
0.42963917 0.42779196 0.95354511
0.63595299 0.89057173 0.08522763
0.48819041 0.82671040 0.02490562
0.61393057 0.51699277 0.97707640
0.76263065 0.58133206 0.03355816
0.39067765 0.43571769 0.35082145
0.29130748 0.37843060 0.39449956
0.28515467 0.50931617 0.35516877
0.41483850 0.27658825 0.25418603
0.33113215 0.22768756 0.17902516
0.31368249 0.22490279 0.29924258
0.80818853 0.74127050 0.91624735
0.61408680 0.76134676 0.81120548
0.55689214 0.63577520 0.69107520
0.81854139 0.86414328 0.62335326
0.89561981 0.97534768 0.72820793
0.05958942 0.93170303 0.76646378
0.13481915 0.65923662 0.00733854
0.77240587 0.76664608 0.09152561
0.90825314 0.37903346 0.18860388
0.45992739 0.63113741 0.96802260
0.18963035 0.79943598 0.88643545
0.95537736 0.63285721 0.02897723
0.75255204 0.88104932 0.79577733
0.59856509 0.53141709 0.50350618
0.82862310 0.75938907 0.44152112
0.08826775 0.70057463 0.96918769
0.71706595 0.63177328 0.44828030
No title
1
14.693131 0.315483 0.008484
0.311787 12.650572 -0.160228
0.007229 -0.137837 14.583403
C H O N
43 30 7 2
Direct configuration= 200
0.75290923 0.56417230 0.37607910
0.77339837 0.45707128 0.39307938
0.82326461 0.39529339 0.32896923
0.77794463 0.60738590 0.29275081
0.82859458 0.54548566 0.22882945
0.85280786 0.44061754 0.24846132
0.00136201 0.38344784 0.20346162
0.05642006 0.29623402 0.17424666
0.15043817 0.29611607 0.18822327
0.04104096 0.47050820 0.24528963
0.13501289 0.46895100 0.25780379
0.19203792 0.38182045 0.23089681
0.29577621 0.38353423 0.24577586
0.33626642 0.45058246 0.16988763
0.34564404 0.55984803 0.18260336
0.38489427 0.62057400 0.11585149
0.36460810 0.40546127 0.08510388
0.40477157 0.46495657 0.01768847
0.41618762 0.57245515 0.03397125
0.54275908 0.66853745 -0.00086973
0.54859238 0.77413773 0.02753195
0.63145378 0.80930853 0.06071647
0.61962951 0.59909895 0.00016418
0.70222556 0.63518727 0.03266368
0.70794084 0.73990222 0.06421071
0.31683126 0.43015948 0.34193276
0.34114447 0.27122309 0.24371068
0.11233003 0.77544260 0.90444971
0.99415988 0.68975770 -0.02376034
0.95365533 0.76332117 0.90725066
0.86306454 0.78254494 0.88425731
0.84400580 0.85919453 0.81820170
0.71948968 0.81782120 0.72495913
0.64449785 0.75675321 0.74305399
0.61258482 0.68668132 0.67601977
0.65737301 0.68013292 0.59176701
0.64939187 0.60460566 0.51256105
0.76644724 0.71863269 0.48131012
0.72879808 0.74571026 0.57357869
0.76126623 0.81582094 0.63845719
0.91341315 0.91458391 0.77747039
0.00488642 0.89179635 0.79964593
0.02374889 0.81575828 0.86520689
0.84222520 0.31284191 0.34193114
0.75262474 0.42345561 0.45745195
0.76069265 0.69011514 0.27907501
0.85286417 0.57907611 0.16561129
0.19156102 0.22623576 0.16608021
0.02515505 0.22833048 0.14178609
-0.00065522 0.53955409 0.26803970
0.16361746 0.53869747 0.28981257
0.39339493 0.70479008 0.12820342
0.32382778 0.59932659 0.24657943
0.35797807 0.32112040 0.07119518
0.42925836 0.42781498 0.95348592
0.63587310 0.89099768 0.08484244
0.48803339 0.82702927 0.02467154
0.61383801 0.51709291 0.97707535
0.76250190 0.58142475 0.03336977
0.39076747 0.43538545 0.35087531
0.29139475 0.37804311 0.39449944
0.28522817 0.50913727 0.35526659
0.41488086 0.27633517 0.25433824
0.33130714 0.22740663 0.17901704
0.31374802 0.22456940 0.29925085
0.80836100 0.74111933 0.91616300
0.61401811 0.76155407 0.81112584
0.55663656 0.63604621 0.69099843
0.81867698 0.86416891 0.62339976
0.89555948 0.97569901 0.72839873
0.05964596 0.93222607 0.76671071
0.13493018 0.65914026 0.00747291
0.77235255 0.76697017 0.09112946
0.90826379 0.37880951 0.18864510
0.45978027 0.63124377 0.96806194
0.18971402 0.79990056 0.88682611
0.95554205 0.63259431 0.02894189
0.75257569 0.88127619 0.79576161
0.59842990 0.53143449 0.50351803
0.82885913 0.75912716 0.44164712
0.08837402 0.70060368 0.96923867
0.71714043 0.63160038 0.44829640
No title
1
14.690287 0.317842 0.007419
0.314020 12.638860 -0.158400
0.006100 -0.135567 14.583814
C H O N
43 30 7 2
Direct configuration= 201
0.75291582 0.56409897 0.37617839
0.77339839 0.45689147 0.39321568
0.82329610 0.39500640 0.32902371
0.77783041 0.60739862 0.29282243
0.82854436 0.54536143 0.22891227
0.85287274 0.44041441 0.24848592
0.00143001 0.38333913 0.20337574
0.05645126 0.29604322 0.17396278
0.15058240 0.29597940 0.18808329
0.04094989 0.47041827 0.24540389
0.13501262 0.46878398 0.25794738
0.19211541 0.38168881 0.23088652
0.29575031 0.38329948 0.24579564
0.33624450 0.45048011 0.16992817
0.34577829 0.55975232 0.18263688
0.38501883 0.62065499 0.11601953
0.36433985 0.40545404 0.08509216
0.40451395 0.46490663 0.01763856
0.41606511 0.57251935 0.03397051
0.54263468 0.66863048 -0.00094560
0.54846946 0.77439755 0.02729177
0.63135751 0.80956323 0.06037497
0.61951261 0.59922125 0.00007614
0.70211601 0.63531781 0.03241616
0.70786750 0.74017184 0.06392211
0.31688437 0.42985590 0.34193921
0.34119296 0.27093113 0.24372903
0.11248128 0.77572138 0.90463316
0.99424473 0.68972272 -0.02378509
0.95372307 0.76339479 0.90722920
0.86313718 0.78259579 0.88419756
0.84403828 0.85935993 0.81822640
0.71952928 0.81799296 0.72494270
0.64442011 0.75686819 0.74308583
0.61246603 0.68685531 0.67596394
0.65737392 0.68026896 0.59171546
0.64930359 0.60464943 0.51263075
0.76649932 0.71852484 0.48149190
0.72887527 0.74572699 0.57360023
0.76141217 0.81588181 0.63839675
0.91339669 0.91500504 0.77755184
0.00490063 0.89228044 0.79987791
0.02386629 0.81609777 0.86528585
0.84233246 0.31250640 0.34211971
0.75274434 0.42313071 0.45756777
0.76049049 0.69005624 0.27904630
0.85278928 0.57901467 0.16572143
0.19174043 0.22606707 0.16574083
0.02525418 0.22817143 0.14134592
-0.00075653 0.53935827 0.26817228
0.16351856 0.53858254 0.29000329
0.39365217 0.70486194 0.12839257
0.32411030 0.59922659 0.24676288
0.35749894 0.32102745 0.07108037
0.42883164 0.42784087 0.95341959
0.63578348 0.89147538 0.08441085
0.48785737 0.82738687 0.02440925
0.61373426 0.51720521 0.97707417
0.76235760 0.58152874 0.03315869
0.39086819 0.43501288 0.35093569
0.29149261 0.37760860 0.39449936
0.28531058 0.50893664 0.35537621
0.41492837 0.27605136 0.25450879
0.33150328 0.22709160 0.17900798
0.31382151 0.22419556 0.29926017
0.80855428 0.74094982 0.91606852
0.61394110 0.76178655 0.81103659
0.55635013 0.63635016 0.69091238
0.81882892 0.86419761 0.62345186
0.89549182 0.97609293 0.72861244
0.05970926 0.93281249 0.76698729
0.13505463 0.65903217 0.00762347
0.77229271 0.76733366 0.09068561
0.90827576 0.37855839 0.18869131
0.45961540 0.63136305 0.96810599
0.18980772 0.80042139 0.88726372
0.95572663 0.63229950 0.02890235
0.75260215 0.88153058 0.79574398
0.59827842 0.53145404 0.50353129
0.82912367 0.75883342 0.44178833
0.08849309 0.70063621 0.96929578
0.71722392 0.63140649 0.44831447
No title
1
14.686919 0.319802 0.006478
0.315887 12.627630 -0.156988
0.005107 -0.133797 14.583398
C H O N
43 30 7 2
Direct configuration= 202
0.75294862 0.56397889 0.37619603
0.77342378 0.45673890 0.39329419
0.82328262 0.39480060 0.32908582
0.77775765 0.60733839 0.29288005
0.82848209 0.54526956 0.22897940
0.85292580 0.44024080 0.24854298
0.00152332 0.38319655 0.20331099
0.05653287 0.29589625 0.17371386
0.15065957 0.29581655 0.18793862
0.04092957 0.47029772 0.24548312
0.13498439 0.46865724 0.25807399
0.19216974 0.38155520 0.23087458
0.29579656 0.38310675 0.24580700
0.33621066 0.45037009 0.16996108
0.34591084 0.55971690 0.18272224
0.38513646 0.62067958 0.11610873
0.36413309 0.40536990 0.08507132
0.40425563 0.46491577 0.01761822
0.41594872 0.57254141 0.03401786
0.54255335 0.66874048 -0.00103532
0.54831508 0.77461366 0.02707025
0.63125385 0.80984175 0.06009072
0.61942505 0.59932201 0.00003006
0.70202929 0.63543464 0.03219786
0.70783503 0.74035010 0.06365765
0.31693777 0.42959010 0.34195563
0.34124713 0.27065777 0.24374647
0.11254222 0.77598601 0.90478235
0.99440062 0.68964621 -0.02379442
0.95378011 0.76350283 0.90718907
0.86316098 0.78266143 0.88412071
0.84406589 0.85954796 0.81824192
0.71957760 0.81815173 0.72491208
0.64443288 0.75700037 0.74302809
0.61237744 0.68699801 0.67588398
0.65732861 0.68036492 0.59168296
0.64917537 0.60461914 0.51271738
0.76666048 0.71845427 0.48152094
0.72892382 0.74573731 0.57365092
0.76151936 0.81596340 0.63841622
0.91339569 0.91531415 0.77768392
0.00493581 0.89271086 0.80010148
0.02397521 0.81634105 0.86539199
0.84242848 0.31216753 0.34229344
0.75283444 0.42283667 0.45768544
0.76031132 0.69003991 0.27903581
0.85271012 0.57895806 0.16581573
0.19186038 0.22594878 0.16544745
0.02534180 0.22806999 0.14098171
-0.00085901 0.53919369 0.26829745
0.16343683 0.53846480 0.29017096
0.39387574 0.70494721 0.12856239
0.32436340 0.59912178 0.24690454
0.35707243 0.32100259 0.07098378
0.42844029 0.42787098 0.95335246
0.63569675 0.89190254 0.08401803
0.48771275 0.82770154 0.02417600
0.61363370 0.51729633 0.97706467
0.76221361 0.58162621 0.03297940
0.39093958 0.43468731 0.35099609
0.29157923 0.37723998 0.39450651
0.28539134 0.50875105 0.35546893
0.41495417 0.27578754 0.25465053
0.33168242 0.22681192 0.17901512
0.31387917 0.22387164 0.29924561
0.80870434 0.74080893 0.91598113
0.61383698 0.76201236 0.81104777
0.55610588 0.63662256 0.69082495
0.81896052 0.86420872 0.62348903
0.89539540 0.97649188 0.72874026
0.05974585 0.93335451 0.76724723
0.13513078 0.65898136 0.00773183
0.77222837 0.76765714 0.09028679
0.90824467 0.37834991 0.18871898
0.45949289 0.63149326 0.96814880
0.18993919 0.80088165 0.88763290
0.95591760 0.63205081 0.02885335
0.75264930 0.88171823 0.79570057
0.59819414 0.53154122 0.50352840
0.82928169 0.75852033 0.44195379
0.08858064 0.70061232 0.96938946
0.71727852 0.63128159 0.44840683
No title
1
14.680049 0.323799 0.004557
0.319694 12.604726 -0.154109
0.003083 -0.130188 14.582549
C H O N
43 30 7 2
Direct configuration= 203
0.75301556 0.56373374 0.37623202
0.77347562 0.45642742 0.39345434
0.82325521 0.39438048 0.32921255
0.77760926 0.60721546 0.29299758
0.82835510 0.54508203 0.22911633
0.85303409 0.43988636 0.24865938
0.00171371 0.38290550 0.20317895
0.05669936 0.29559628 0.17320621
0.15081702 0.29548414 0.18764359
0.04088815 0.47005164 0.24564475
0.13492685 0.46839848 0.25833224
0.19228063 0.38128244 0.23085026
0.29589097 0.38271332 0.24583022
0.33614167 0.45014550 0.17002823
0.34618125 0.55964454 0.18289636
0.38537645 0.62072971 0.11629068
0.36371131 0.40519820 0.08502880
0.40372864 0.46493450 0.01757672
0.41571130 0.57258647 0.03411442
0.54238741 0.66896508 -0.00121832
0.54800005 0.77505492 0.02661840
0.63104226 0.81041041 0.05951091
0.61924638 0.59952773 -0.00006395
0.70185230 0.63567323 0.03175259
0.70776871 0.74071409 0.06311821
0.31704679 0.42904749 0.34198915
0.34135772 0.27009973 0.24378211
0.11266649 0.77652616 0.90508658
0.99471865 0.68949000 -0.02381341
0.95389644 0.76372335 0.90710721
0.86320950 0.78279545 0.88396396
0.84412215 0.85993177 0.81827354
0.71967610 0.81847583 0.72484960
0.64445890 0.75727019 0.74291030
0.61219667 0.68728938 0.67572084
0.65723614 0.68056083 0.59161664
0.64891382 0.60455733 0.51289405
0.76698926 0.71831013 0.48158019
0.72902287 0.74575836 0.57375433
0.76173799 0.81612991 0.63845591
0.91339359 0.91594510 0.77795326
0.00500747 0.89358942 0.80055740
0.02419734 0.81683760 0.86560844
0.84262447 0.31147569 0.34264785
0.75301834 0.42223637 0.45792552
0.75994581 0.69000663 0.27901439
0.85254868 0.57884248 0.16600806
0.19210509 0.22570736 0.16484912
0.02552052 0.22786298 0.14023890
-0.00106800 0.53885773 0.26855276
0.16327015 0.53822445 0.29051295
0.39433183 0.70512116 0.12890875
0.32487978 0.59890771 0.24719352
0.35620233 0.32095203 0.07078673
0.42764193 0.42793257 0.95321550
0.63551965 0.89277467 0.08321677
0.48741759 0.82834400 0.02370019
0.61342853 0.51748235 0.97704527
0.76191981 0.58182529 0.03261371
0.39108532 0.43402267 0.35111934
0.29175603 0.37648747 0.39452117
0.28555617 0.50837215 0.35565807
0.41500689 0.27524893 0.25493965
0.33204796 0.22624094 0.17902974
0.31399687 0.22321039 0.29921597
0.80901050 0.74052131 0.91580292
0.61362451 0.76247335 0.81107052
0.55560754 0.63717873 0.69064657
0.81922897 0.86423135 0.62356485
0.89519861 0.97730627 0.72900088
0.05982038 0.93446087 0.76777729
0.13528616 0.65887760 0.00795287
0.77209697 0.76831762 0.08947332
0.90818132 0.37792433 0.18877543
0.45924293 0.63175909 0.96823606
0.19020728 0.80182105 0.88838579
0.95630725 0.63154311 0.02875348
0.75274541 0.88210130 0.79561202
0.59802220 0.53171922 0.50352248
0.82960416 0.75788109 0.44229134
0.08875924 0.70056350 0.96958054
0.71738998 0.63102659 0.44859525
No title
1
14.682828 0.322182 0.005334
0.318154 12.613991 -0.155274
0.003902 -0.131648 14.582892
C H O N
43 30 7 2
Direct configuration= 204
0.75298844 0.56383310 0.37621744
0.77345459 0.45655367 0.39338953
0.82326625 0.39455075 0.32916125
0.77766929 0.60726527 0.29295004
0.82840646 0.54515803 0.22906093
0.85299021 0.44003002 0.24861226
0.00163663 0.38302346 0.20323234
0.05663198 0.29571781 0.17341154
0.15075328 0.29561883 0.18776291
0.04090487 0.47015138 0.24557935
0.13495009 0.46850336 0.25822775
0.19223573 0.38139299 0.23086007
0.29585271 0.38287277 0.24582079
0.33616956 0.45023651 0.17000105
0.34607179 0.55967392 0.18282590
0.38527932 0.62070945 0.11621707
0.36388198 0.40526772 0.08504601
0.40394192 0.46492683 0.01759354
0.41580739 0.57256819 0.03407537
0.54245460 0.66887402 -0.00114426
0.54812763 0.77487600 0.02680124
0.63112800 0.81017986 0.05974552
0.61931872 0.59944433 -0.00002590
0.70192398 0.63557647 0.03193274
0.70779562 0.74056651 0.06333646
0.31700260 0.42926740 0.34197554
0.34131290 0.27032589 0.24376764
0.11261624 0.77630732 0.90496354
0.99458992 0.68955334 -0.02380575
0.95384939 0.76363399 0.90714034
0.86318989 0.78274113 0.88402737
0.84409943 0.85977624 0.81826077
0.71963628 0.81834450 0.72487489
0.64444841 0.75716083 0.74295797
0.61226987 0.68717126 0.67578686
0.65727359 0.68048141 0.59164348
0.64901965 0.60458237 0.51282259
0.76685618 0.71836859 0.48155619
0.72898278 0.74574985 0.57371249
0.76164953 0.81606247 0.63843986
0.91339450 0.91568944 0.77784435
0.00497855 0.89323345 0.80037303
0.02410749 0.81663643 0.86552091
0.84254505 0.31175612 0.34250442
0.75294383 0.42247969 0.45782835
0.76009373 0.69002007 0.27902307
0.85261399 0.57888932 0.16593025
0.19200606 0.22580516 0.16509113
0.02544821 0.22794681 0.14053937
-0.00098348 0.53899388 0.26844947
0.16333755 0.53832187 0.29037460
0.39414725 0.70505077 0.12876863
0.32467075 0.59899456 0.24707658
0.35655447 0.32097238 0.07086649
0.42796505 0.42790749 0.95327095
0.63559148 0.89242113 0.08354098
0.48753715 0.82808355 0.02389273
0.61351158 0.51740693 0.97705314
0.76203876 0.58174453 0.03276167
0.39102625 0.43429205 0.35106943
0.29168438 0.37679245 0.39451517
0.28548941 0.50852575 0.35558152
0.41498547 0.27546724 0.25482265
0.33189996 0.22647238 0.17902376
0.31394916 0.22347837 0.29922791
0.80888657 0.74063789 0.91587497
0.61371055 0.76228651 0.81106136
0.55580930 0.63695326 0.69071879
0.81912033 0.86422222 0.62353417
0.89527833 0.97697625 0.72889552
0.05979032 0.93401259 0.76756294
0.13522325 0.65891970 0.00786344
0.77215028 0.76804985 0.08980245
0.90820691 0.37809679 0.18875256
0.45934412 0.63165134 0.96820079
0.19009885 0.80144048 0.88808127
0.95614950 0.63174889 0.02879382
0.75270657 0.88194606 0.79564786
0.59809181 0.53164707 0.50352489
0.82947356 0.75814022 0.44215473
0.08868694 0.70058333 0.96950323
0.71734483 0.63112996 0.44851900
No title
1
14.679768 0.324621 0.003959
0.320459 12.602085 -0.153682
0.002470 -0.129653 14.582412
C H O N
43 30 7 2
Direct configuration= 205
0.75299417 0.56368984 0.37625815
0.77351187 0.45632410 0.39344878
0.82325717 0.39429331 0.32924659
0.77762336 0.60715028 0.29296866
0.82833462 0.54506287 0.22912709
0.85299913 0.43985017 0.24872966
0.00168531 0.38281272 0.20316176
0.05677838 0.29559800 0.17316256
0.15080866 0.29542720 0.18757924
0.04093748 0.46996260 0.24563637
0.13492018 0.46836197 0.25834547
0.19223924 0.38121696 0.23085117
0.29595646 0.38268218 0.24583587
0.33613832 0.45013119 0.17003382
0.34622380 0.55964860 0.18297722
0.38539648 0.62072172 0.11629812
0.36368149 0.40515146 0.08501190
0.40363372 0.46496190 0.01758697
0.41571022 0.57259418 0.03413571
0.54234032 0.66905282 -0.00125589
0.54796294 0.77513962 0.02657366
0.63101181 0.81053299 0.05945474
0.61922125 0.59952486 -0.00006936
0.70185667 0.63574095 0.03172589
0.70772328 0.74076412 0.06302553
0.31707261 0.42898615 0.34202653
0.34138938 0.27001035 0.24378343
0.11272897 0.77659618 0.90514557
0.99476788 0.68942226 -0.02380327
0.95394298 0.76374612 0.90711745
0.86323201 0.78279690 0.88395613
0.84410645 0.86001878 0.81826296
0.71968894 0.81850016 0.72484060
0.64448766 0.75733920 0.74288303
0.61217757 0.68733328 0.67571375
0.65717110 0.68055869 0.59164687
0.64901225 0.60466165 0.51288453
0.76690668 0.71814978 0.48162558
0.72904913 0.74578397 0.57376648
0.76171125 0.81613391 0.63851455
0.91342759 0.91601524 0.77801651
0.00504622 0.89371352 0.80060056
0.02418871 0.81684976 0.86567538
0.84263216 0.31141398 0.34268095
0.75303358 0.42218547 0.45793973
0.75990054 0.69003699 0.27903038
0.85252051 0.57883730 0.16600729
0.19210927 0.22569374 0.16478029
0.02553908 0.22786223 0.14016362
-0.00111260 0.53883844 0.26859964
0.16326814 0.53820047 0.29056954
0.39438635 0.70514417 0.12894870
0.32494630 0.59887851 0.24722247
0.35609211 0.32094506 0.07075736
0.42753159 0.42794200 0.95317831
0.63548921 0.89285789 0.08309875
0.48738528 0.82841669 0.02363621
0.61339344 0.51745044 0.97702605
0.76191759 0.58181054 0.03257152
0.39108865 0.43394498 0.35113680
0.29177498 0.37641242 0.39452387
0.28558208 0.50831574 0.35567683
0.41501875 0.27517134 0.25496584
0.33209510 0.22616060 0.17903638
0.31399313 0.22312220 0.29919881
0.80900821 0.74049169 0.91577684
0.61360089 0.76254372 0.81108433
0.55557235 0.63726015 0.69060839
0.81928510 0.86424050 0.62355752
0.89515144 0.97744081 0.72899133
0.05980060 0.93462143 0.76786429
0.13529228 0.65889532 0.00796922
0.77210166 0.76840138 0.08937831
0.90820103 0.37787753 0.18876773
0.45920988 0.63178137 0.96823567
0.19019049 0.80190896 0.88847812
0.95637798 0.63151364 0.02870962
0.75275602 0.88213030 0.79557608
0.59790927 0.53162646 0.50350263
0.82978617 0.75789821 0.44223639
0.08878800 0.70057853 0.96958108
0.71737603 0.63105836 0.44868392
No title
1
14.677091 0.326755 0.002756
0.322474 12.591671 -0.152290
0.001217 -0.127908 14.581992
C H O N
43 30 7 2
Direct configuration= 206
0.75299920 0.56356440 0.37629377
0.77356202 0.45612308 0.39350064
0.82324927 0.39406789 0.32932126
0.77758319 0.60704961 0.29298495
0.82827178 0.54497955 0.22918496
0.85300696 0.43969268 0.24883237
0.00172793 0.38262821 0.20310006
0.05690646 0.29549312 0.17294479
0.15085714 0.29525943 0.18741860
0.04096605 0.46979730 0.24568626
0.13489405 0.46823817 0.25844846
0.19224235 0.38106285 0.23084340
0.29604727 0.38251529 0.24584908
0.33611102 0.45003897 0.17006249
0.34635681 0.55962638 0.18310959
0.38549898 0.62073243 0.11636902
0.36350609 0.40504972 0.08498206
0.40336406 0.46499266 0.01758119
0.41562522 0.57261695 0.03418848
0.54224029 0.66920941 -0.00135356
0.54781879 0.77537048 0.02637455
0.63091008 0.81084222 0.05920034
0.61913595 0.59959538 -0.00010739
0.70179774 0.63588501 0.03154494
0.70765993 0.74093720 0.06275353
0.31713391 0.42873988 0.34207116
0.34145635 0.26973406 0.24379728
0.11282757 0.77684905 0.90530477
0.99492360 0.68930745 -0.02380106
0.95402484 0.76384428 0.90709743
0.86326885 0.78284573 0.88389381
0.84411255 0.86023113 0.81826484
0.71973498 0.81863645 0.72481059
0.64452196 0.75749537 0.74281747
0.61209678 0.68747515 0.67564978
0.65708142 0.68062636 0.59164981
0.64900577 0.60473106 0.51293871
0.76695090 0.71795818 0.48168629
0.72910717 0.74581382 0.57381370
0.76176525 0.81619644 0.63857989
0.91345650 0.91630047 0.77816707
0.00510537 0.89413380 0.80079956
0.02425974 0.81703651 0.86581049
0.84270845 0.31111438 0.34283540
0.75311215 0.42192785 0.45803719
0.75973152 0.69005183 0.27903675
0.85243873 0.57879176 0.16607467
0.19219956 0.22559622 0.16450840
0.02561855 0.22778821 0.13983496
-0.00122553 0.53870236 0.26873100
0.16320744 0.53809417 0.29074008
0.39459554 0.70522588 0.12910622
0.32518741 0.59877683 0.24735012
0.35568758 0.32092124 0.07066186
0.42715234 0.42797231 0.95309724
0.63539963 0.89324038 0.08271187
0.48725234 0.82870843 0.02341179
0.61329007 0.51748855 0.97700234
0.76181155 0.58186838 0.03240517
0.39114330 0.43364109 0.35119577
0.29185431 0.37607967 0.39453152
0.28566320 0.50813184 0.35576022
0.41504793 0.27491225 0.25509111
0.33226588 0.22588759 0.17904746
0.31403166 0.22281035 0.29917339
0.80911464 0.74036368 0.91569102
0.61350491 0.76276893 0.81110439
0.55536500 0.63752891 0.69051176
0.81942926 0.86425647 0.62357795
0.89504035 0.97784757 0.72907509
0.05980952 0.93515445 0.76812785
0.13535269 0.65887394 0.00806175
0.77205904 0.76870923 0.08900726
0.90819592 0.37768556 0.18878101
0.45909242 0.63189523 0.96826616
0.19027062 0.80231905 0.88882522
0.95657791 0.63130765 0.02863600
0.75279924 0.88229161 0.79551327
0.59774957 0.53160846 0.50348314
0.83005972 0.75768626 0.44230786
0.08887642 0.70057429 0.96964918
0.71740335 0.63099563 0.44882819
No title
1
14.675434 0.328985 0.000938
0.324612 12.580749 -0.150261
-0.000665 -0.125398 14.582057
C H O N
43 30 7 2
Direct configuration= 207
0.75295137 0.56342333 0.37639646
0.77360361 0.45585508 0.39359734
0.82329818 0.39371451 0.32939460
0.77751918 0.60699793 0.29299382
0.82823162 0.54484904 0.22921230
0.85297087 0.43950840 0.24896460
0.00170797 0.38240862 0.20305168
0.05700284 0.29538135 0.17271232
0.15095102 0.29512320 0.18724029
0.04093970 0.46960181 0.24571585
0.13492666 0.46807829 0.25852879
0.19221994 0.38085558 0.23084555
0.29613803 0.38234041 0.24587399
0.33611581 0.44998400 0.17009572
0.34652384 0.55956173 0.18324599
0.38557630 0.62078183 0.11650294
0.36332166 0.40500445 0.08496246
0.40306703 0.46499300 0.01754257
0.41559073 0.57268366 0.03421926
0.54209467 0.66940441 -0.00146428
0.54771849 0.77569622 0.02619911
0.63079825 0.81115982 0.05892344
0.61902197 0.59966645 -0.00015541
0.70175125 0.63602766 0.03138433
0.70754064 0.74124999 0.06246044
0.31721193 0.42848577 0.34214613
0.34154309 0.26943843 0.24380846
0.11295027 0.77707323 0.90554031
0.99507806 0.68921959 -0.02385969
0.95412220 0.76387510 0.90714788
0.86335823 0.78287247 0.88385680
0.84411440 0.86044633 0.81828418
0.71976368 0.81875637 0.72482590
0.64448982 0.75768347 0.74283274
0.61199049 0.68765846 0.67565674
0.65700567 0.68071867 0.59166859
0.64896356 0.60470169 0.51292966
0.76708520 0.71780037 0.48173811
0.72914535 0.74583383 0.57385685
0.76182704 0.81625071 0.63860835
0.91351144 0.91671722 0.77827686
0.00517511 0.89454658 0.80102293
0.02431355 0.81726214 0.86594582
0.84276344 0.31084528 0.34297534
0.75319442 0.42169715 0.45809720
0.75956701 0.69005825 0.27907193
0.85234429 0.57875463 0.16610663
0.19228503 0.22547886 0.16421618
0.02571156 0.22774369 0.13950675
-0.00133054 0.53853144 0.26887302
0.16316901 0.53798857 0.29094169
0.39481554 0.70528155 0.12926030
0.32543657 0.59869832 0.24752546
0.35525492 0.32082640 0.07054121
0.42672720 0.42801865 0.95299991
0.63529716 0.89364085 0.08228688
0.48709783 0.82901979 0.02316442
0.61316927 0.51744093 0.97695660
0.76176935 0.58186789 0.03223157
0.39120414 0.43332570 0.35126417
0.29192942 0.37574000 0.39454400
0.28575089 0.50793274 0.35584572
0.41511479 0.27461888 0.25521459
0.33244560 0.22557441 0.17904825
0.31404280 0.22245849 0.29913995
0.80918032 0.74024002 0.91558744
0.61345539 0.76301869 0.81104127
0.55518217 0.63783194 0.69039467
0.81958555 0.86426283 0.62359144
0.89492663 0.97825912 0.72916984
0.05980244 0.93576450 0.76842604
0.13543119 0.65886637 0.00816640
0.77203267 0.76902741 0.08861561
0.90822702 0.37749537 0.18879856
0.45894009 0.63197910 0.96827126
0.19032909 0.80274080 0.88918466
0.95677396 0.63106531 0.02856997
0.75281503 0.88248031 0.79542633
0.59761684 0.53165138 0.50346546
0.83031701 0.75743992 0.44238529
0.08901458 0.70063158 0.96966161
0.71742587 0.63093377 0.44895868
No title
1
14.671964 0.333654 -0.002869
0.329090 12.557879 -0.146012
-0.004605 -0.120142 14.582193
C H O N
43 30 7 2
Direct configuration= 208
0.75285128 0.56312764 0.37661151
0.77369084 0.45529335 0.39379991
0.82340076 0.39297381 0.32954829
0.77738515 0.60688965 0.29301239
0.82814756 0.54457551 0.22926959
0.85289539 0.43912214 0.24924153
0.00166625 0.38194841 0.20295043
0.05720466 0.29514715 0.17222559
0.15114763 0.29483773 0.18686697
0.04088460 0.46919208 0.24577784
0.13499504 0.46774318 0.25869707
0.19217309 0.38042118 0.23085012
0.29632819 0.38197386 0.24592625
0.33612589 0.44986876 0.17016532
0.34687369 0.55942611 0.18353166
0.38573825 0.62088530 0.11678338
0.36293543 0.40490966 0.08492137
0.40244495 0.46499383 0.01746163
0.41551849 0.57282347 0.03428368
0.54178961 0.66981319 -0.00169623
0.54750829 0.77637901 0.02583162
0.63056386 0.81182561 0.05834349
0.61878322 0.59981545 -0.00025599
0.70165379 0.63632673 0.03104798
0.70729063 0.74190572 0.06184658
0.31737542 0.42795314 0.34230321
0.34172485 0.26881880 0.24383197
0.11320724 0.77754292 0.90603349
0.99540156 0.68903542 -0.02398240
0.95432610 0.76393962 0.90725356
0.86354538 0.78292849 0.88377933
0.84411821 0.86089736 0.81832460
0.71982375 0.81900767 0.72485792
0.64442245 0.75807770 0.74286466
0.61176784 0.68804268 0.67567123
0.65684699 0.68091216 0.59170786
0.64887518 0.60464015 0.51291071
0.76736653 0.71746955 0.48184670
0.72922532 0.74587573 0.57394721
0.76195643 0.81636443 0.63866793
0.91362640 0.91759058 0.77850667
0.00532110 0.89541157 0.80149058
0.02442621 0.81773496 0.86622914
0.84287874 0.31028119 0.34326846
0.75336683 0.42121360 0.45822294
0.75922250 0.69007176 0.27914554
0.85214651 0.57867685 0.16617354
0.19246397 0.22523300 0.16360432
0.02590626 0.22765049 0.13881951
-0.00155036 0.53817320 0.26917042
0.16308862 0.53776720 0.29136389
0.39527631 0.70539807 0.12958300
0.32595844 0.59853359 0.24789272
0.35434882 0.32062785 0.07028849
0.42583682 0.42811598 0.95279600
0.63508232 0.89448039 0.08139682
0.48677408 0.82967249 0.02264631
0.61291628 0.51734119 0.97686080
0.76168094 0.58186697 0.03186802
0.39133170 0.43266463 0.35140751
0.29208684 0.37502807 0.39457024
0.28593463 0.50751537 0.35602484
0.41525495 0.27400396 0.25547324
0.33282208 0.22491797 0.17905004
0.31406625 0.22172106 0.29907003
0.80931789 0.73998088 0.91537061
0.61335157 0.76354219 0.81090901
0.55479916 0.63846715 0.69014934
0.81991288 0.86427610 0.62361973
0.89468834 0.97912168 0.72936811
0.05978748 0.93704292 0.76905028
0.13559561 0.65885042 0.00838556
0.77197721 0.76969446 0.08779538
0.90829221 0.37709674 0.18883537
0.45862105 0.63215493 0.96828187
0.19045151 0.80362454 0.88993723
0.95718461 0.63055736 0.02843181
0.75284801 0.88287582 0.79524424
0.59733885 0.53174140 0.50342838
0.83085596 0.75692350 0.44254756
0.08930390 0.70075158 0.96968764
0.71747309 0.63080406 0.44923194
No title
1
14.670924 0.335826 -0.004621
0.331184 12.547311 -0.143679
-0.006428 -0.117283 14.582336
C H O N
43 30 7 2
Direct configuration= 209
0.75281364 0.56298040 0.37667567
0.77373284 0.45505097 0.39385948
0.82343615 0.39270566 0.32964120
0.77728648 0.60681492 0.29309300
0.82808593 0.54447739 0.22931160
0.85289840 0.43886994 0.24930303
0.00166177 0.38177057 0.20293328
0.05724930 0.29503448 0.17200816
0.15122635 0.29471649 0.18667432
0.04084424 0.46902983 0.24582045
0.13498255 0.46759288 0.25876063
0.19225521 0.38022880 0.23087664
0.29635566 0.38179034 0.24595989
0.33615351 0.44979163 0.17022204
0.34704317 0.55938047 0.18366622
0.38583062 0.62092552 0.11689926
0.36272656 0.40485513 0.08490574
0.40219148 0.46503807 0.01738702
0.41546427 0.57287904 0.03434907
0.54166542 0.67000617 -0.00178636
0.54737646 0.77667929 0.02564256
0.63045129 0.81217613 0.05806897
0.61865799 0.59988657 -0.00032301
0.70158227 0.63644974 0.03090433
0.70723697 0.74222664 0.06157009
0.31744474 0.42770751 0.34235922
0.34181655 0.26853192 0.24384728
0.11325886 0.77776868 0.90626397
0.99550947 0.68893682 -0.02402906
0.95441618 0.76395124 0.90730657
0.86361518 0.78293187 0.88376929
0.84419884 0.86110869 0.81834435
0.71983206 0.81909533 0.72486982
0.64434942 0.75825947 0.74288233
0.61168713 0.68827433 0.67570165
0.65681083 0.68101326 0.59172030
0.64879550 0.60462140 0.51293449
0.76758800 0.71743141 0.48192705
0.72925053 0.74586861 0.57396195
0.76204101 0.81641232 0.63865917
0.91363022 0.91801020 0.77862556
0.00534345 0.89580859 0.80169286
0.02449857 0.81796838 0.86637934
0.84294450 0.30993942 0.34339593
0.75343410 0.42098276 0.45830155
0.75907622 0.69007915 0.27919195
0.85205420 0.57863269 0.16617683
0.19255910 0.22509101 0.16331159
0.02600042 0.22759890 0.13849831
-0.00161839 0.53795468 0.26929892
0.16306637 0.53764054 0.29156176
0.39548756 0.70545179 0.12973276
0.32620123 0.59847214 0.24809044
0.35393247 0.32052651 0.07016913
0.42540379 0.42816553 0.95268831
0.63498000 0.89488980 0.08098291
0.48661627 0.82999022 0.02240427
0.61279318 0.51727667 0.97681941
0.76167232 0.58185797 0.03170500
0.39141737 0.43236493 0.35148469
0.29214833 0.37469396 0.39459668
0.28601564 0.50733295 0.35611080
0.41535580 0.27369932 0.25558871
0.33299383 0.22459896 0.17903976
0.31406076 0.22136246 0.29903096
0.80937836 0.73988784 0.91524409
0.61332179 0.76379814 0.81083180
0.55462046 0.63875194 0.69004384
0.82004203 0.86425655 0.62363822
0.89459808 0.97952485 0.72946184
0.05978660 0.93766508 0.76935529
0.13568975 0.65885664 0.00848850
0.77193194 0.76999856 0.08740646
0.90827253 0.37692473 0.18887992
0.45846741 0.63223974 0.96824998
0.19056023 0.80404592 0.89027317
0.95739550 0.63033961 0.02833629
0.75285542 0.88310316 0.79518882
0.59722692 0.53179046 0.50339668
0.83102161 0.75662448 0.44265787
0.08947330 0.70077448 0.96972347
0.71751423 0.63068047 0.44926073
No title
1
14.668895 0.340063 -0.008038
0.335268 12.526700 -0.139129
-0.009985 -0.111707 14.582615
C H O N
43 30 7 2
Direct configuration= 210
0.75274027 0.56269299 0.37680085
0.77381485 0.45457777 0.39397575
0.82350530 0.39218216 0.32982250
0.77709407 0.60666904 0.29325021
0.82796577 0.54428586 0.22939356
0.85290436 0.43837760 0.24942305
0.00165310 0.38142343 0.20289989
0.05733635 0.29481461 0.17158413
0.15137989 0.29447988 0.18629861
0.04076558 0.46871309 0.24590360
0.13495826 0.46729945 0.25888465
0.19241544 0.37985323 0.23092846
0.29640932 0.38143208 0.24602556
0.33620742 0.44964103 0.17033268
0.34737380 0.55929126 0.18392872
0.38601083 0.62100396 0.11712529
0.36231916 0.40474877 0.08487524
0.40169705 0.46512455 0.01724145
0.41535851 0.57298752 0.03447658
0.54142309 0.67038297 -0.00196222
0.54711916 0.77726559 0.02527370
0.63023153 0.81286051 0.05753343
0.61841368 0.60002547 -0.00045376
0.70144269 0.63668994 0.03062409
0.70713212 0.74285323 0.06103071
0.31758003 0.42722798 0.34246856
0.34199552 0.26797187 0.24387726
0.11335954 0.77820926 0.90671344
0.99571997 0.68874432 -0.02412003
0.95459190 0.76397386 0.90740999
0.86375133 0.78293846 0.88374974
0.84435606 0.86152119 0.81838285
0.71984825 0.81926643 0.72489299
0.64420693 0.75861432 0.74291671
0.61152963 0.68872653 0.67576089
0.65674027 0.68121061 0.59174454
0.64864008 0.60458483 0.51298086
0.76802002 0.71735685 0.48208381
0.72929970 0.74585471 0.57399070
0.76220598 0.81650577 0.63864209
0.91363758 0.91882926 0.77885733
0.00538698 0.89658347 0.80208728
0.02463969 0.81842393 0.86667223
0.84307291 0.30927219 0.34364465
0.75356541 0.42053211 0.45845495
0.75879090 0.69009360 0.27928243
0.85187416 0.57854651 0.16618324
0.19274462 0.22481394 0.16274072
0.02618403 0.22749831 0.13787189
-0.00175100 0.53752808 0.26954959
0.16302305 0.53739320 0.29194770
0.39589964 0.70555650 0.13002488
0.32667485 0.59835203 0.24847614
0.35312037 0.32032889 0.06993628
0.42455910 0.42826243 0.95247816
0.63478019 0.89568921 0.08017547
0.48630829 0.83061059 0.02193206
0.61255308 0.51715079 0.97673867
0.76165547 0.58184048 0.03138704
0.39158460 0.43177983 0.35163534
0.29226837 0.37404173 0.39464837
0.28617375 0.50697679 0.35627854
0.41555264 0.27310456 0.25581405
0.33332895 0.22397617 0.17901985
0.31405016 0.22066249 0.29895486
0.80949632 0.73970627 0.91499736
0.61326362 0.76429779 0.81068112
0.55427180 0.63930797 0.68983794
0.82029395 0.86421834 0.62367433
0.89442193 0.98031186 0.72964450
0.05978477 0.93887942 0.76994999
0.13587341 0.65886870 0.00868931
0.77184344 0.77059236 0.08664781
0.90823419 0.37658893 0.18896684
0.45816771 0.63240537 0.96818772
0.19077227 0.80486828 0.89092829
0.95780689 0.62991452 0.02815010
0.75286978 0.88354694 0.79508066
0.59700858 0.53188629 0.50333482
0.83134483 0.75604067 0.44287314
0.08980372 0.70081910 0.96979339
0.71759452 0.63043920 0.44931692
No title
1
14.667560 0.343062 -0.010264
0.338123 12.513693 -0.136126
-0.012305 -0.108036 14.582615
C H O N
43 30 7 2
Direct configuration= 211
0.75271647 0.56249332 0.37683857
0.77385091 0.45432608 0.39402528
0.82355151 0.39190862 0.32993856
0.77696607 0.60654003 0.29336270
0.82786032 0.54417207 0.22948660
0.85291473 0.43809635 0.24942743
0.00166825 0.38125171 0.20289871
0.05737753 0.29470609 0.17135776
0.15145432 0.29434019 0.18605225
0.04074658 0.46852643 0.24597704
0.13491185 0.46712854 0.25895920
0.19255413 0.37965193 0.23096391
0.29641780 0.38119094 0.24608484
0.33625718 0.44950209 0.17042592
0.34756994 0.55927690 0.18410975
0.38615307 0.62103405 0.11725039
0.36204499 0.40466904 0.08481645
0.40140922 0.46520051 0.01718299
0.41526472 0.57303639 0.03455367
0.54127947 0.67058373 -0.00205567
0.54692050 0.77759303 0.02501649
0.63010817 0.81329113 0.05718592
0.61827456 0.60010355 -0.00055630
0.70134814 0.63682489 0.03046428
0.70708667 0.74316698 0.06067869
0.31765814 0.42692415 0.34252027
0.34211190 0.26760891 0.24390158
0.11351499 0.77855176 0.90694587
0.99588200 0.68864178 -0.02417308
0.95467387 0.76400881 0.90743332
0.86383680 0.78295827 0.88373123
0.84447876 0.86176053 0.81841458
0.71988216 0.81937476 0.72486106
0.64413569 0.75886071 0.74288325
0.61144861 0.68900686 0.67574271
0.65671143 0.68131919 0.59176347
0.64859382 0.60466710 0.51302448
0.76810483 0.71721077 0.48230088
0.72937650 0.74587312 0.57399269
0.76227517 0.81651738 0.63864680
0.91360592 0.91929784 0.77903814
0.00537596 0.89708856 0.80230774
0.02471478 0.81872144 0.86687480
0.84316598 0.30877521 0.34378824
0.75363393 0.42023623 0.45857720
0.75863031 0.69009170 0.27935646
0.85175320 0.57847358 0.16618101
0.19286926 0.22462145 0.16237824
0.02628858 0.22739270 0.13746447
-0.00181124 0.53723783 0.26970385
0.16299645 0.53718483 0.29217212
0.39615193 0.70563501 0.13020819
0.32697959 0.59828148 0.24872332
0.35262772 0.32023498 0.06980067
0.42402079 0.42832504 0.95231562
0.63465392 0.89624210 0.07968631
0.48610615 0.83101837 0.02164066
0.61239913 0.51710717 0.97670936
0.76163130 0.58187178 0.03119940
0.39170943 0.43142475 0.35173692
0.29233174 0.37363630 0.39469465
0.28626465 0.50677477 0.35638673
0.41569799 0.27271577 0.25594868
0.33353355 0.22359041 0.17900725
0.31403652 0.22021378 0.29889531
0.80956298 0.73961861 0.91481888
0.61321090 0.76462661 0.81064194
0.55406104 0.63964747 0.68972829
0.82043451 0.86417638 0.62370176
0.89433947 0.98082579 0.72975167
0.05977756 0.93964081 0.77034593
0.13604560 0.65886947 0.00883421
0.77179351 0.77097354 0.08618237
0.90817158 0.37635321 0.18903276
0.45799580 0.63253461 0.96813285
0.19083109 0.80535436 0.89134164
0.95804669 0.62961630 0.02803988
0.75290885 0.88384687 0.79505961
0.59683718 0.53188680 0.50328296
0.83166840 0.75576172 0.44293931
0.08995534 0.70080616 0.96986316
0.71764650 0.63029161 0.44933004
No title
1
14.665947 0.346687 -0.012955
0.341574 12.497972 -0.132496
-0.015110 -0.103598 14.582616
C H O N
43 30 7 2
Direct configuration= 212
0.75268776 0.56225174 0.37688421
0.77389458 0.45402153 0.39408521
0.82360746 0.39157760 0.33007891
0.77681140 0.60638394 0.29349867
0.82773290 0.54403440 0.22959905
0.85292734 0.43775605 0.24943279
0.00168662 0.38104393 0.20289733
0.05742728 0.29457485 0.17108418
0.15154428 0.29417124 0.18575452
0.04072367 0.46830056 0.24606584
0.13485581 0.46692175 0.25904934
0.19272184 0.37940831 0.23100683
0.29642813 0.38089915 0.24615653
0.33631738 0.44933394 0.17053865
0.34780706 0.55925939 0.18432859
0.38632503 0.62107038 0.11740161
0.36171358 0.40457268 0.08474537
0.40106127 0.46529251 0.01711226
0.41515136 0.57309552 0.03464681
0.54110580 0.67082671 -0.00216870
0.54668022 0.77798936 0.02470550
0.62995887 0.81381230 0.05676579
0.61810635 0.60019809 -0.00068028
0.70123379 0.63698825 0.03027107
0.70703158 0.74354674 0.06025313
0.31775265 0.42655649 0.34258285
0.34225267 0.26716971 0.24393107
0.11370285 0.77896602 0.90722675
0.99607788 0.68851769 -0.02423714
0.95477296 0.76405106 0.90746153
0.86394011 0.78298222 0.88370886
0.84462702 0.86205007 0.81845291
0.71992311 0.81950583 0.72482244
0.64404950 0.75915887 0.74284272
0.61135059 0.68934606 0.67572067
0.65667656 0.68145056 0.59178632
0.64853788 0.60476664 0.51307717
0.76820742 0.71703393 0.48256329
0.72946933 0.74589537 0.57399510
0.76235880 0.81653140 0.63865250
0.91356756 0.91986472 0.77925655
0.00536256 0.89769959 0.80257408
0.02480552 0.81908130 0.86711958
0.84327864 0.30817383 0.34396192
0.75371687 0.41987817 0.45872503
0.75843621 0.69008942 0.27944592
0.85160700 0.57838537 0.16617832
0.19301990 0.22438864 0.16194020
0.02641490 0.22726504 0.13697207
-0.00188395 0.53688661 0.26989036
0.16296439 0.53693265 0.29244341
0.39645691 0.70572985 0.13042977
0.32734801 0.59819595 0.24902214
0.35203222 0.32012155 0.06963669
0.42337004 0.42840101 0.95211905
0.63450104 0.89691127 0.07909493
0.48586165 0.83151191 0.02128833
0.61221304 0.51705444 0.97667391
0.76160204 0.58190973 0.03097259
0.39186044 0.43099506 0.35185980
0.29240844 0.37314572 0.39475069
0.28637460 0.50653028 0.35651755
0.41587382 0.27224528 0.25611153
0.33378097 0.22312362 0.17899215
0.31402014 0.21967090 0.29882344
0.80964354 0.73951260 0.91460319
0.61314709 0.76502450 0.81059449
0.55380618 0.64005833 0.68959563
0.82060443 0.86412557 0.62373495
0.89423969 0.98144759 0.72988107
0.05976873 0.94056190 0.77082431
0.13625377 0.65887030 0.00900937
0.77173297 0.77143493 0.08561970
0.90809597 0.37606800 0.18911248
0.45778795 0.63269106 0.96806647
0.19090216 0.80594231 0.89184114
0.95833662 0.62925544 0.02790678
0.75295599 0.88420976 0.79503412
0.59662997 0.53188748 0.50322025
0.83205962 0.75542411 0.44301941
0.09013862 0.70079044 0.96994753
0.71770937 0.63011301 0.44934593
No title
1
14.662951 0.349915 -0.015475
0.344653 12.482213 -0.128906
-0.017739 -0.099221 14.581561
C H O N
43 30 7 2
Direct configuration= 213
0.75266476 0.56203596 0.37692315
0.77390535 0.45373724 0.39418356
0.82371461 0.39120927 0.33016178
0.77668418 0.60625744 0.29355566
0.82761221 0.54390000 0.22968523
0.85287655 0.43754753 0.24944528
0.00168980 0.38088199 0.20289304
0.05748049 0.29446108 0.17087213
0.15164702 0.29403681 0.18549579
0.04074271 0.46807440 0.24616852
0.13486205 0.46671159 0.25914144
0.19276037 0.37921118 0.23100162
0.29649340 0.38060423 0.24624024
0.33638576 0.44916783 0.17064137
0.34801135 0.55922301 0.18453524
0.38651002 0.62110328 0.11756288
0.36139719 0.40451662 0.08465338
0.40073949 0.46531636 0.01709932
0.41504046 0.57317111 0.03466390
0.54092645 0.67097097 -0.00227554
0.54647542 0.77834687 0.02441486
0.62983517 0.81424113 0.05633453
0.61799926 0.60028654 -0.00079992
0.70113662 0.63710297 0.03008891
0.70692867 0.74381730 0.05983756
0.31784749 0.42621176 0.34265063
0.34239127 0.26673116 0.24396072
0.11383291 0.77935389 0.90747280
0.99630838 0.68840289 -0.02426514
0.95487554 0.76412870 0.90743660
0.86404419 0.78304727 0.88365292
0.84468100 0.86227271 0.81851081
0.72000699 0.81968957 0.72478405
0.64401977 0.75949391 0.74275875
0.61123821 0.68959241 0.67560210
0.65667089 0.68155854 0.59179726
0.64844792 0.60477672 0.51306203
0.76835506 0.71682680 0.48264371
0.72957438 0.74592848 0.57402673
0.76242817 0.81652098 0.63869427
0.91353482 0.92036531 0.77945457
0.00534561 0.89827485 0.80282689
0.02485082 0.81947483 0.86732107
0.84337710 0.30761461 0.34409563
0.75378900 0.41954482 0.45885818
0.75828194 0.69004703 0.27955989
0.85143765 0.57826749 0.16622026
0.19314917 0.22418022 0.16153356
0.02652185 0.22711012 0.13650550
-0.00195072 0.53658884 0.27007997
0.16292168 0.53663178 0.29266935
0.39673478 0.70582875 0.13063049
0.32770717 0.59812242 0.24929751
0.35150015 0.32005626 0.06949544
0.42275245 0.42849335 0.95191356
0.63435846 0.89759331 0.07856572
0.48561754 0.83199172 0.02096619
0.61203725 0.51707017 0.97667379
0.76152409 0.58202724 0.03077899
0.39199484 0.43060563 0.35197395
0.29247215 0.37270573 0.39480969
0.28646902 0.50631979 0.35663939
0.41603368 0.27178965 0.25625458
0.33400460 0.22271241 0.17899050
0.31400908 0.21915029 0.29874178
0.80970590 0.73943707 0.91438002
0.61306190 0.76541333 0.81061667
0.55360290 0.64044829 0.68949564
0.82073526 0.86405173 0.62377578
0.89418283 0.98204150 0.73001105
0.05973297 0.94140041 0.77130172
0.13651242 0.65885808 0.00919725
0.77170301 0.77187794 0.08511632
0.90805417 0.37573906 0.18916920
0.45760746 0.63285861 0.96802762
0.19100315 0.80650272 0.89228029
0.95857187 0.62887694 0.02779129
0.75304738 0.88450924 0.79502388
0.59650320 0.53198664 0.50318652
0.83231975 0.75508544 0.44320028
0.09025895 0.70075485 0.97003994
0.71772748 0.63004510 0.44947500
No title
1
14.655840 0.357576 -0.021457
0.351962 12.444805 -0.120383
-0.023982 -0.088832 14.579057
C H O N
43 30 7 2
Direct configuration= 214
0.75261030 0.56152307 0.37701568
0.77393113 0.45306145 0.39441721
0.82396925 0.39033367 0.33035877
0.77638220 0.60595680 0.29369097
0.82732577 0.54358054 0.22988985
0.85275608 0.43705195 0.24947501
0.00169745 0.38049706 0.20288295
0.05760680 0.29419082 0.17036880
0.15189093 0.29371745 0.18488169
0.04078810 0.46753677 0.24641242
0.13487704 0.46621200 0.25936020
0.19285197 0.37874260 0.23098939
0.29664859 0.37990317 0.24643916
0.33654826 0.44877289 0.17088535
0.34849649 0.55913622 0.18502594
0.38694932 0.62118121 0.11794578
0.36064596 0.40438366 0.08443489
0.39997547 0.46537326 0.01706845
0.41477712 0.57335083 0.03470439
0.54050048 0.67131407 -0.00252935
0.54598883 0.77919700 0.02372459
0.62954103 0.81526082 0.05531043
0.61774490 0.60049695 -0.00108402
0.70090575 0.63737586 0.02965634
0.70668398 0.74446080 0.05885079
0.31807290 0.42539227 0.34281176
0.34272059 0.26568867 0.24403139
0.11414161 0.78027553 0.90805677
0.99685571 0.68812989 -0.02433143
0.95511905 0.76431320 0.90737742
0.86429126 0.78320186 0.88352013
0.84480905 0.86280181 0.81864817
0.72020604 0.82012628 0.72469284
0.64394896 0.76029033 0.74255922
0.61097118 0.69017812 0.67532046
0.65665738 0.68181517 0.59182316
0.64823432 0.60480074 0.51302605
0.76870575 0.71633434 0.48283480
0.72982379 0.74600708 0.57410183
0.76259291 0.81649614 0.63879347
0.91345688 0.92155498 0.77992438
0.00530516 0.89964196 0.80342673
0.02495824 0.82040999 0.86779920
0.84361126 0.30628527 0.34441342
0.75396051 0.41875234 0.45917450
0.75791575 0.68994626 0.27983043
0.85103563 0.57798736 0.16631983
0.19345604 0.22368510 0.16056838
0.02677566 0.22674222 0.13539798
-0.00210901 0.53588096 0.27053024
0.16282052 0.53591648 0.29320587
0.39739457 0.70606346 0.13110703
0.32856009 0.59794720 0.24995142
0.35023683 0.31990154 0.06915993
0.42128595 0.42871340 0.95142541
0.63401930 0.89921493 0.07730895
0.48503752 0.83313256 0.02020105
0.61161985 0.51710767 0.97667344
0.76133886 0.58230676 0.03031929
0.39231421 0.42967984 0.35224522
0.29262369 0.37165986 0.39495002
0.28669337 0.50581935 0.35692880
0.41641356 0.27070646 0.25659452
0.33453581 0.22173490 0.17898690
0.31398308 0.21791296 0.29854823
0.80985390 0.73925771 0.91385028
0.61285943 0.76633754 0.81066908
0.55311997 0.64137539 0.68925795
0.82104594 0.86387612 0.62387280
0.89404756 0.98345305 0.73031926
0.05964781 0.94339304 0.77243460
0.13712662 0.65882870 0.00964337
0.77163140 0.77293136 0.08392103
0.90795514 0.37495720 0.18930404
0.45717880 0.63325699 0.96793523
0.19124282 0.80783429 0.89332255
0.95913061 0.62797726 0.02751743
0.75326419 0.88522099 0.79499946
0.59620212 0.53222243 0.50310633
0.83293765 0.75428017 0.44362994
0.09054471 0.70067012 0.97025941
0.71777058 0.62988356 0.44978145
No title
1
14.652574 0.361170 -0.024160
0.355351 12.428891 -0.117164
-0.026787 -0.084892 14.577183
C H O N
43 30 7 2
Direct configuration= 215
0.75254907 0.56138487 0.37712629
0.77397733 0.45266937 0.39451195
0.82406858 0.38993782 0.33044178
0.77626641 0.60585605 0.29370761
0.82721391 0.54348309 0.22989690
0.85268271 0.43678630 0.24956687
0.00166977 0.38029884 0.20284609
0.05767570 0.29400682 0.17014237
0.15199134 0.29355872 0.18463324
0.04078495 0.46731952 0.24653148
0.13492415 0.46596606 0.25946031
0.19285303 0.37851776 0.23093968
0.29676705 0.37960114 0.24650122
0.33660634 0.44864555 0.17096262
0.34870810 0.55902620 0.18520437
0.38714412 0.62121166 0.11811003
0.36031356 0.40435038 0.08441805
0.39967375 0.46536002 0.01698484
0.41466232 0.57345974 0.03470949
0.54033547 0.67147426 -0.00264267
0.54581480 0.77955002 0.02344127
0.62940146 0.81571375 0.05486014
0.61763412 0.60059500 -0.00119202
0.70080220 0.63748785 0.02945273
0.70659277 0.74476335 0.05846706
0.31817425 0.42505859 0.34291655
0.34286034 0.26523857 0.24406475
0.11417288 0.78062448 0.90831365
0.99701573 0.68795935 -0.02430444
0.95527312 0.76438635 0.90737304
0.86437487 0.78323762 0.88346868
0.84479954 0.86306231 0.81867583
0.72027441 0.82036498 0.72473352
0.64388511 0.76061648 0.74251067
0.61086825 0.69044887 0.67522373
0.65666584 0.68189595 0.59177355
0.64819771 0.60489270 0.51303255
0.76887023 0.71614080 0.48287199
0.72989998 0.74597475 0.57413094
0.76273951 0.81653752 0.63882608
0.91344358 0.92207776 0.78007731
0.00529469 0.90024158 0.80369342
0.02500984 0.82083424 0.86797951
0.84370203 0.30577987 0.34451369
0.75403252 0.41841552 0.45930146
0.75777127 0.68991509 0.27995286
0.85083960 0.57785662 0.16639475
0.19356299 0.22351937 0.16017209
0.02689513 0.22662136 0.13495855
-0.00218305 0.53563742 0.27074712
0.16278784 0.53562202 0.29343842
0.39767382 0.70616952 0.13130301
0.32893660 0.59787538 0.25022282
0.34971471 0.31984631 0.06901948
0.42064874 0.42884169 0.95124581
0.63387820 0.89984467 0.07676517
0.48479829 0.83360728 0.01988161
0.61144804 0.51713055 0.97668597
0.76125728 0.58244653 0.03013926
0.39242602 0.42929093 0.35235637
0.29268966 0.37123267 0.39501062
0.28679058 0.50559796 0.35704398
0.41655294 0.27023224 0.25673580
0.33475476 0.22133990 0.17898714
0.31398470 0.21736136 0.29846991
0.80992125 0.73919187 0.91361672
0.61279336 0.76673604 0.81064072
0.55292639 0.64175898 0.68917181
0.82116937 0.86379066 0.62392207
0.89401082 0.98404748 0.73047628
0.05959567 0.94422831 0.77292224
0.13737066 0.65884249 0.00981139
0.77157167 0.77335391 0.08340966
0.90795634 0.37462287 0.18934864
0.45697799 0.63340888 0.96791597
0.19138789 0.80841349 0.89374322
0.95936201 0.62761193 0.02737156
0.75333901 0.88547118 0.79495195
0.59603288 0.53227376 0.50306794
0.83317049 0.75393735 0.44384952
0.09078155 0.70063992 0.97036827
0.71778342 0.62979163 0.44988021
No title
1
14.645936 0.368475 -0.029655
0.362238 12.396545 -0.110621
-0.032487 -0.076885 14.573374
C H O N
43 30 7 2
Direct configuration= 216
0.75242473 0.56110359 0.37735118
0.77407151 0.45187135 0.39470471
0.82427076 0.38913211 0.33061072
0.77603106 0.60565106 0.29374143
0.82698656 0.54328481 0.22991122
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0.00161357 0.37989548 0.20277125
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0.04077872 0.46687731 0.24677361
0.13502010 0.46546546 0.25966393
0.19285529 0.37806022 0.23083871
0.29700805 0.37898636 0.24662756
0.33672453 0.44838631 0.17111977
0.34913843 0.55880204 0.18556720
0.38754019 0.62127340 0.11844399
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0.39906034 0.46533331 0.01681476
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0.53999988 0.67180044 -0.00287315
0.54546068 0.78026874 0.02286512
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0.61740881 0.60079470 -0.00141164
0.70059154 0.63771596 0.02903875
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0.31838050 0.42437938 0.34312976
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0.99734114 0.68761215 -0.02424943
0.95558629 0.76453512 0.90736417
0.86454482 0.78331040 0.88336410
0.84478007 0.86359247 0.81873193
0.72041328 0.82085071 0.72481614
0.64375511 0.76128032 0.74241180
0.61065879 0.69100001 0.67502693
0.65668297 0.68206036 0.59167268
0.64812324 0.60507987 0.51304572
0.76920474 0.71574680 0.48294775
0.73005490 0.74590890 0.57419015
0.76303752 0.81662161 0.63889240
0.91341632 0.92314160 0.78038797
0.00527320 0.90146174 0.80423527
0.02511458 0.82169750 0.86834586
0.84388687 0.30475120 0.34471777
0.75417914 0.41772993 0.45955971
0.75747762 0.68985165 0.28020169
0.85044119 0.57759062 0.16654704
0.19378036 0.22318227 0.15936665
0.02713791 0.22637560 0.13406537
-0.00233336 0.53514170 0.27118807
0.16272166 0.53502263 0.29391125
0.39824155 0.70638507 0.13170143
0.32970221 0.59772882 0.25077469
0.34865322 0.31973433 0.06873380
0.41935316 0.42910327 0.95088044
0.63359079 0.90112670 0.07565949
0.48431153 0.83457375 0.01923197
0.61109875 0.51717721 0.97671138
0.76109127 0.58273115 0.02977320
0.39265359 0.42849930 0.35258252
0.29282403 0.37036320 0.39513401
0.28698837 0.50514727 0.35727823
0.41683660 0.26926697 0.25702325
0.33520010 0.22053588 0.17898787
0.31398824 0.21623883 0.29831094
0.81005809 0.73905798 0.91314201
0.61265880 0.76754710 0.81058285
0.55253260 0.64253982 0.68899648
0.82142036 0.86361662 0.62402231
0.89393589 0.98525714 0.73079519
0.05948943 0.94592791 0.77391313
0.13786684 0.65887030 0.01015302
0.77144982 0.77421424 0.08236995
0.90795897 0.37394243 0.18943946
0.45656966 0.63371813 0.96787669
0.19168267 0.80959186 0.89459814
0.95983257 0.62686839 0.02707526
0.75349098 0.88598033 0.79485527
0.59568878 0.53237834 0.50298982
0.83364411 0.75323940 0.44429611
0.09126309 0.70057826 0.97058965
0.71780961 0.62960447 0.45008102
No title
1
14.641829 0.373750 -0.033670
0.367146 12.376368 -0.107217
-0.036612 -0.072675 14.570602
C H O N
43 30 7 2
Direct configuration= 217
0.75234806 0.56087615 0.37750585
0.77414923 0.45138183 0.39480642
0.82434090 0.38859927 0.33075969
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0.99757612 0.68743893 -0.02426024
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0.31401338 0.21548291 0.29822448
0.81014006 0.73895497 0.91285030
0.61259267 0.76806697 0.81046591
0.55229142 0.64302077 0.68889714
0.82164776 0.86355142 0.62407715
0.89389936 0.98605310 0.73101091
0.05942281 0.94701616 0.77453389
0.13820304 0.65889455 0.01036692
0.77133383 0.77472343 0.08170283
0.90795388 0.37354389 0.18950288
0.45629918 0.63390717 0.96785696
0.19169514 0.81029163 0.89514875
0.96006157 0.62632419 0.02693401
0.75350721 0.88629307 0.79477378
0.59549829 0.53250065 0.50295036
0.83405323 0.75286191 0.44451839
0.09159226 0.70061268 0.97069753
0.71783257 0.62943490 0.45011300
No title
1
14.633169 0.384874 -0.042137
0.377497 12.333821 -0.100039
-0.045312 -0.063798 14.564755
C H O N
43 30 7 2
Direct configuration= 218
0.75218663 0.56039571 0.37783212
0.77431362 0.45034773 0.39502122
0.82448938 0.38747364 0.33107416
0.77557463 0.60524405 0.29389818
0.82648165 0.54269071 0.22997534
0.85233273 0.43499411 0.25016457
0.00157991 0.37888372 0.20252534
0.05815056 0.29271705 0.16872233
0.15244058 0.29239554 0.18312165
0.04065238 0.46598128 0.24726997
0.13507074 0.46442153 0.26009728
0.19315113 0.37697415 0.23053673
0.29750865 0.37784928 0.24675190
0.33682341 0.44790982 0.17143798
0.35007724 0.55838836 0.18623539
0.38830462 0.62134359 0.11908520
0.35841267 0.40419407 0.08435599
0.39778595 0.46545187 0.01646890
0.41392379 0.57399197 0.03479182
0.53938201 0.67268300 -0.00336268
0.54476033 0.78171819 0.02173991
0.62858653 0.81856745 0.05212552
0.61684210 0.60119269 -0.00179228
0.70014839 0.63841643 0.02818794
0.70604317 0.74680237 0.05625765
0.31876984 0.42305145 0.34362094
0.34368752 0.26251258 0.24428990
0.11485469 0.78273290 0.90987433
0.99807192 0.68707284 -0.02428280
0.95615680 0.76476082 0.90749507
0.86495651 0.78339997 0.88311909
0.84485586 0.86482950 0.81871984
0.72054820 0.82179249 0.72495768
0.64338257 0.76250436 0.74230133
0.61035350 0.69228492 0.67482675
0.65661481 0.68234677 0.59145678
0.64783874 0.60524360 0.51308872
0.76951623 0.71500177 0.48344529
0.73044983 0.74573845 0.57432732
0.76358840 0.81672703 0.63906836
0.91335673 0.92516606 0.78091169
0.00520769 0.90404285 0.80532267
0.02542267 0.82324067 0.86915619
0.84425991 0.30288353 0.34498388
0.75446498 0.41628061 0.46009382
0.75689227 0.68997921 0.28064961
0.84965783 0.57717740 0.16669436
0.19416714 0.22265707 0.15781341
0.02764957 0.22598602 0.13241108
-0.00265434 0.53441531 0.27218752
0.16269797 0.53398648 0.29492722
0.39936972 0.70681316 0.13247894
0.33130790 0.59736315 0.25175404
0.34658236 0.31954386 0.06820578
0.41678084 0.42964875 0.95013980
0.63302847 0.90333161 0.07338897
0.48345949 0.83635720 0.01796747
0.61043968 0.51716665 0.97677694
0.76087288 0.58321888 0.02910131
0.39304216 0.42694236 0.35303695
0.29310172 0.36867718 0.39540942
0.28738736 0.50421947 0.35771004
0.41732383 0.26727810 0.25760158
0.33605278 0.21899468 0.17894473
0.31406694 0.21388630 0.29804248
0.81031288 0.73873753 0.91223515
0.61245268 0.76916519 0.81021898
0.55178226 0.64403691 0.68868725
0.82212749 0.86341346 0.62419297
0.89382179 0.98773420 0.73146549
0.05928179 0.94931435 0.77584258
0.13891230 0.65894532 0.01081823
0.77108833 0.77579954 0.08029549
0.90794349 0.37270206 0.18963683
0.45572848 0.63430671 0.96781509
0.19172122 0.81176925 0.89630973
0.96054494 0.62517465 0.02663649
0.75354116 0.88695367 0.79460178
0.59509635 0.53275919 0.50286697
0.83491662 0.75206405 0.44498762
0.09228663 0.70068501 0.97092523
0.71788116 0.62907671 0.45018056
No title
1
14.629759 0.390197 -0.046097
0.382425 12.315062 -0.096782
-0.049380 -0.059772 14.561872
C H O N
43 30 7 2
Direct configuration= 219
0.75216810 0.56007466 0.37789120
0.77435613 0.44995701 0.39515895
0.82452159 0.38697955 0.33120967
0.77542312 0.60510381 0.29400453
0.82630190 0.54242101 0.23005814
0.85230794 0.43460193 0.25025593
0.00161458 0.37855701 0.20245997
0.05823497 0.29245890 0.16842774
0.15251727 0.29212063 0.18282680
0.04058563 0.46568126 0.24741542
0.13505220 0.46409673 0.26023893
0.19329734 0.37662762 0.23044699
0.29763006 0.37751210 0.24678964
0.33682959 0.44774650 0.17154404
0.35039076 0.55832339 0.18645095
0.38852832 0.62136286 0.11927196
0.35808391 0.40415636 0.08428830
0.39734293 0.46553588 0.01641749
0.41376965 0.57405699 0.03483083
0.53916909 0.67298424 -0.00352759
0.54453973 0.78221297 0.02139605
0.62843124 0.81913163 0.05156534
0.61665099 0.60132797 -0.00189589
0.70002180 0.63869286 0.02792669
0.70588603 0.74726935 0.05581134
0.31887311 0.42263555 0.34374588
0.34384156 0.26195344 0.24433973
0.11497392 0.78312129 0.91021796
0.99832434 0.68687090 -0.02427603
0.95630558 0.76483460 0.90755603
0.86509932 0.78346026 0.88300756
0.84494040 0.86519951 0.81872135
0.72054784 0.82202380 0.72491614
0.64330672 0.76289492 0.74223557
0.61024742 0.69266459 0.67477365
0.65655955 0.68247270 0.59145970
0.64773160 0.60524393 0.51308521
0.76971913 0.71485757 0.48355557
0.73058782 0.74569743 0.57439694
0.76371254 0.81672517 0.63914622
0.91332231 0.92578316 0.78106576
0.00519757 0.90481922 0.80570096
0.02552376 0.82368237 0.86942131
0.84439043 0.30228610 0.34505051
0.75455965 0.41580509 0.46025438
0.75670912 0.69007621 0.28077170
0.84942887 0.57708431 0.16667871
0.19430145 0.22248019 0.15732600
0.02779673 0.22583596 0.13190226
-0.00274707 0.53422153 0.27251797
0.16270937 0.53368616 0.29525360
0.39972092 0.70692693 0.13271779
0.33182890 0.59722337 0.25202397
0.34594732 0.31949901 0.06805786
0.41599285 0.42980531 0.94988608
0.63285617 0.90398976 0.07267717
0.48321875 0.83688010 0.01758093
0.61024415 0.51712509 0.97679731
0.76082533 0.58335036 0.02890293
0.39316539 0.42646114 0.35318656
0.29318948 0.36815238 0.39550891
0.28750730 0.50393760 0.35784041
0.41747234 0.26664120 0.25778866
0.33631014 0.21852184 0.17891267
0.31411340 0.21313598 0.29796846
0.81039420 0.73861642 0.91196704
0.61237073 0.76966943 0.81009805
0.55157648 0.64450815 0.68859350
0.82240551 0.86338901 0.62423897
0.89378146 0.98854214 0.73166296
0.05923299 0.95038561 0.77641741
0.13925966 0.65896494 0.01102645
0.77098471 0.77628011 0.07966633
0.90790748 0.37233043 0.18970231
0.45547370 0.63450046 0.96779343
0.19180345 0.81248041 0.89680834
0.96077867 0.62468397 0.02646641
0.75350394 0.88729710 0.79455157
0.59490589 0.53287930 0.50283303
0.83523113 0.75166040 0.44524579
0.09253831 0.70073715 0.97103059
0.71788765 0.62893782 0.45021711
No title
1
14.619526 0.406163 -0.057975
0.397208 12.258784 -0.087013
-0.061583 -0.047695 14.553224
C H O N
43 30 7 2
Direct configuration= 220
0.75211293 0.55910997 0.37806867
0.77448425 0.44878288 0.39557250
0.82461894 0.38549481 0.33161661
0.77496873 0.60468254 0.29432363
0.82576290 0.54161084 0.23030661
0.85223406 0.43342352 0.25053029
0.00171894 0.37757539 0.20226404
0.05848831 0.29168344 0.16754403
0.15274745 0.29129483 0.18194232
0.04038581 0.46477975 0.24785200
0.13499708 0.46312070 0.26066417
0.19373637 0.37558633 0.23017808
0.29799479 0.37649883 0.24690317
0.33684841 0.44725567 0.17186239
0.35133182 0.55812756 0.18709803
0.38919974 0.62142029 0.11983253
0.35709737 0.40404355 0.08408494
0.39601340 0.46578890 0.01626284
0.41330709 0.57425252 0.03494770
0.53852970 0.67388978 -0.00402277
0.54387692 0.78370022 0.02036375
0.62796412 0.82082754 0.04988398
0.61607729 0.60173477 -0.00220702
0.69964141 0.63952388 0.02714253
0.70541360 0.74867311 0.05447173
0.31918356 0.42138567 0.34412111
0.34430447 0.26027321 0.24448973
0.11533155 0.78428776 0.91124890
0.99908202 0.68626381 -0.02425539
0.95675200 0.76505601 0.90773903
0.86552768 0.78364135 0.88267297
0.84519368 0.86631115 0.81872571
0.72054648 0.82271884 0.72479134
0.64307862 0.76406855 0.74203791
0.60992863 0.69380556 0.67461397
0.65639357 0.68285113 0.59146832
0.64741012 0.60524506 0.51307461
0.77032824 0.71442393 0.48388672
0.73100199 0.74557394 0.57460600
0.76408511 0.81671934 0.63937994
0.91321844 0.92763716 0.78152762
0.00516665 0.90715151 0.80683554
0.02582684 0.82500909 0.87021663
0.84478284 0.30049081 0.34525094
0.75484442 0.41437604 0.46073653
0.75615955 0.69036779 0.28113786
0.84874190 0.57680495 0.16663163
0.19470425 0.22194905 0.15586370
0.02823805 0.22538540 0.13037572
-0.00302482 0.53363910 0.27350958
0.16274419 0.53278349 0.29623313
0.40077486 0.70726805 0.13343470
0.33339268 0.59680242 0.25283445
0.34404164 0.31936525 0.06761355
0.41362792 0.43027702 0.94912404
0.63233781 0.90596815 0.07054076
0.48249543 0.83845191 0.01642056
0.60965748 0.51700045 0.97685831
0.76068230 0.58374565 0.02830755
0.39353586 0.42501497 0.35363588
0.29345350 0.36657537 0.39580785
0.28786762 0.50309038 0.35823188
0.41791887 0.26472718 0.25835054
0.33708291 0.21710085 0.17881697
0.31425363 0.21088158 0.29774689
0.81063814 0.73825269 0.91116271
0.61212414 0.77118471 0.80973479
0.55095837 0.64592440 0.68831174
0.82323985 0.86331514 0.62437725
0.89365968 0.99096954 0.73225495
0.05908584 0.95360379 0.77814149
0.14030216 0.65902325 0.01165150
0.77067267 0.77772481 0.07777810
0.90779992 0.37121384 0.18989902
0.45470892 0.63508297 0.96772811
0.19204981 0.81461656 0.89830406
0.96148043 0.62320952 0.02595659
0.75339183 0.88832904 0.79440067
0.59433420 0.53324049 0.50273096
0.83617555 0.75044693 0.44602097
0.09329356 0.70089339 0.97134690
0.71790730 0.62852045 0.45032688
No title
1
14.599061 0.438097 -0.081730
0.426775 12.146227 -0.067474
-0.085988 -0.023542 14.535927
C H O N
43 30 7 2
Direct configuration= 221
0.75200499 0.55717146 0.37842497
0.77474406 0.44642258 0.39640183
0.82481786 0.38251051 0.33243305
0.77406078 0.60383667 0.29496200
0.82468638 0.53998392 0.23080403
0.85208937 0.43105544 0.25108075
0.00192969 0.37560318 0.20187341
0.05899561 0.29012647 0.16577699
0.15320851 0.28963676 0.18017375
0.03998868 0.46296805 0.24872650
0.13488971 0.46115890 0.26151632
0.19461700 0.37349350 0.22964199
0.29872730 0.37446170 0.24713228
0.33688776 0.44626879 0.17250012
0.35321690 0.55773029 0.18839474
0.39054440 0.62153276 0.12095535
0.35512274 0.40381993 0.08367654
0.39335153 0.46630114 0.01595086
0.41238104 0.57464639 0.03518058
0.53724705 0.67571195 -0.00501594
0.54254515 0.78669234 0.01829494
0.62702242 0.82423968 0.04651630
0.61492757 0.60255429 -0.00283110
0.69887682 0.64119620 0.02557158
0.70446252 0.75149759 0.05178834
0.31980841 0.41887277 0.34487414
0.34523506 0.25689568 0.24479283
0.11604645 0.78662845 0.91331105
0.00059993 0.68504198 -0.02421206
0.95764530 0.76549933 0.90810568
0.86638404 0.78400473 0.88200385
0.84569807 0.86854403 0.81873341
0.72054194 0.82411561 0.72454071
0.64261907 0.76642768 0.74164047
0.60928771 0.69609921 0.67429243
0.65606054 0.68361191 0.59148482
0.64676665 0.60524820 0.51305288
0.77154892 0.71355035 0.48455096
0.73183160 0.74532430 0.57502520
0.76483123 0.81670615 0.63984826
0.91300713 0.93136166 0.78244931
0.00510142 0.91183545 0.80910297
0.02643180 0.82767241 0.87180698
0.84557266 0.29688219 0.34565501
0.75541848 0.41150299 0.46170373
0.75505956 0.69095436 0.28186934
0.84736751 0.57624556 0.16653665
0.19550913 0.22088375 0.15293872
0.02911972 0.22448205 0.12732212
-0.00357768 0.53246757 0.27549427
0.16281763 0.53096771 0.29819457
0.40288475 0.70794920 0.13487062
0.33652490 0.59595084 0.25445944
0.34022699 0.31910243 0.06672149
0.40889216 0.43123260 0.94759460
0.63129211 0.90994895 0.06626201
0.48104213 0.84161433 0.01409525
0.60848366 0.51675143 0.97697959
0.76039410 0.58454146 0.02711534
0.39428140 0.42210735 0.35453753
0.29398606 0.36340546 0.39640856
0.28859141 0.50138635 0.35901695
0.41881792 0.26087912 0.25947817
0.33863266 0.21424386 0.17862855
0.31453905 0.20635200 0.29730664
0.81112581 0.73752286 0.90955395
0.61162652 0.77423067 0.80900547
0.54971752 0.64877221 0.68774503
0.82491016 0.86316423 0.62465542
0.89341144 0.99584593 0.73343627
0.05878697 0.96006684 0.78158729
0.14238966 0.65913637 0.01290395
0.77004158 0.78063221 0.07399701
0.90758752 0.36897019 0.19029393
0.45317680 0.63625554 0.96759541
0.19254061 0.81890494 0.90129491
0.96288747 0.62024615 0.02493939
0.75316483 0.89040309 0.79409718
0.59318897 0.53396794 0.50252530
0.83806989 0.74800470 0.44757534
0.09480536 0.70120466 0.97198091
0.71794779 0.62768158 0.45054712
No title
1
14.614445 0.414091 -0.063872
0.404549 12.230840 -0.082162
-0.067642 -0.041699 14.548930
C H O N
43 30 7 2
Direct configuration= 222
0.75208242 0.55864266 0.37815502
0.77454328 0.44821529 0.39577500
0.82466186 0.38477654 0.33181538
0.77474203 0.60447764 0.29448182
0.82549337 0.54121696 0.23042937
0.85219348 0.43285281 0.25066430
0.00176811 0.37709944 0.20216521
0.05861330 0.29130614 0.16710476
0.15286084 0.29089304 0.18150263
0.04028338 0.46434325 0.24806702
0.13496603 0.46264854 0.26087316
0.19395109 0.37508241 0.23004232
0.29817200 0.37600922 0.24695694
0.33685559 0.44701866 0.17201912
0.35179532 0.55803752 0.18741609
0.38953079 0.62145186 0.12010874
0.35660950 0.40398500 0.08398612
0.39535683 0.46590663 0.01618943
0.41307860 0.57434603 0.03500683
0.53821716 0.67432524 -0.00426508
0.54355567 0.78441617 0.01985658
0.62774170 0.82164359 0.04905544
0.61579538 0.60192919 -0.00235918
0.69945740 0.63992335 0.02675651
0.70518695 0.74934844 0.05381190
0.31933264 0.42078188 0.34430414
0.34452821 0.25946077 0.24456023
0.11550959 0.78485704 0.91176045
-0.00054501 0.68597219 -0.02424774
0.95697306 0.76516532 0.90782907
0.86574083 0.78372970 0.88250676
0.84532220 0.86685083 0.81872920
0.72054810 0.82305540 0.72473073
0.64296966 0.76463612 0.74194249
0.60977463 0.69435709 0.67453748
0.65631256 0.68303401 0.59147356
0.64725112 0.60524448 0.51307003
0.77062754 0.71421667 0.48404867
0.73120604 0.74551604 0.57470843
0.76426888 0.81671838 0.63949486
0.91317147 0.92853664 0.78175955
0.00515569 0.90828481 0.80740114
0.02597889 0.82565525 0.87061192
0.84497125 0.29962249 0.34534636
0.75498005 0.41368560 0.46097225
0.75588775 0.69050821 0.28132073
0.84840138 0.57666709 0.16660926
0.19490515 0.22168917 0.15513811
0.02845837 0.22516455 0.12961838
-0.00316608 0.53335843 0.27400005
0.16275663 0.53234862 0.29671645
0.40129561 0.70743883 0.13378799
0.33416319 0.59660580 0.25323174
0.34309958 0.31929279 0.06739730
0.41246115 0.43049564 0.94875245
0.63209186 0.90691978 0.06948754
0.48214477 0.83920830 0.01585025
0.60936679 0.51693820 0.97688950
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0.39371390 0.42431643 0.35385513
0.29357884 0.36581267 0.39595266
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0.41813292 0.26380243 0.25862458
0.33746122 0.21641446 0.17876564
0.31431689 0.20978877 0.29763316
0.81075950 0.73807513 0.91076343
0.61200739 0.77191738 0.80955799
0.55065737 0.64660803 0.68817588
0.82365203 0.86328253 0.62444386
0.89360524 0.99214723 0.73255229
0.05901868 0.95516763 0.77900063
0.14081663 0.65905667 0.01195887
0.77052669 0.77841909 0.07684641
0.90774302 0.37067276 0.18999475
0.45433247 0.63536255 0.96769832
0.19217463 0.81565668 0.89904754
0.96182436 0.62249591 0.02570031
0.75333972 0.88882846 0.79432793
0.59405269 0.53341336 0.50268221
0.83663746 0.74986398 0.44640074
0.09366690 0.70097250 0.97150219
0.71791557 0.62831850 0.45038049
No title
1
14.609753 0.422146 -0.070123
0.411979 12.203917 -0.077276
-0.074056 -0.035652 14.544659
C H O N
43 30 7 2
Direct configuration= 223
0.75205152 0.55820867 0.37822426
0.77459238 0.44756393 0.39603292
0.82469116 0.38407785 0.33197120
0.77452154 0.60428993 0.29461608
0.82522321 0.54086660 0.23051024
0.85217084 0.43223939 0.25079727
0.00178583 0.37665993 0.20212646
0.05871115 0.29096985 0.16666251
0.15307006 0.29052134 0.18110723
0.04018355 0.46390681 0.24830022
0.13498191 0.46214823 0.26109807
0.19406961 0.37462021 0.22995763
0.29830751 0.37546496 0.24705693
0.33690463 0.44681324 0.17211523
0.35227550 0.55789542 0.18773579
0.38986151 0.62152834 0.12036029
0.35612022 0.40388731 0.08391272
0.39465306 0.46601973 0.01603385
0.41288614 0.57452307 0.03509782
0.53783575 0.67478543 -0.00452262
0.54324641 0.78518054 0.01931621
0.62744498 0.82246972 0.04822020
0.61554590 0.60215787 -0.00249667
0.69927915 0.64030006 0.02634709
0.70494804 0.75004339 0.05310166
0.31946349 0.42013133 0.34443621
0.34473457 0.25860131 0.24462744
0.11567220 0.78549270 0.91225860
-0.00018216 0.68563436 -0.02423499
0.95719391 0.76531037 0.90791485
0.86593021 0.78381599 0.88234452
0.84539122 0.86736470 0.81871914
0.72053246 0.82338164 0.72463447
0.64290129 0.76524183 0.74178461
0.60955584 0.69484721 0.67443845
0.65625078 0.68328845 0.59152075
0.64719005 0.60536526 0.51306266
0.77088869 0.71392839 0.48424643
0.73137231 0.74543445 0.57483849
0.76454121 0.81677096 0.63955939
0.91316431 0.92951605 0.78199683
0.00517231 0.90939431 0.80802556
0.02608322 0.82629598 0.87102880
0.84519530 0.29863097 0.34545474
0.75513467 0.41293577 0.46120717
0.75562169 0.69062827 0.28149839
0.84803404 0.57649875 0.16661726
0.19515453 0.22133479 0.15436513
0.02864608 0.22485047 0.12882856
-0.00326770 0.53301439 0.27449780
0.16275923 0.53184951 0.29719309
0.40183666 0.70755867 0.13414280
0.33497964 0.59638721 0.25364687
0.34214776 0.31924472 0.06718524
0.41125984 0.43075853 0.94840760
0.63183356 0.90798356 0.06840973
0.48175579 0.84002865 0.01526746
0.60908586 0.51685679 0.97693052
0.76051821 0.58415741 0.02772099
0.39390811 0.42357696 0.35409668
0.29371761 0.36500443 0.39611730
0.28821155 0.50227618 0.35862114
0.41836778 0.26280168 0.25892627
0.33784490 0.21569628 0.17869369
0.31442513 0.20863563 0.29752431
0.81094137 0.73789595 0.91034685
0.61183377 0.77270021 0.80940804
0.55038115 0.64734559 0.68803480
0.82404622 0.86321232 0.62454434
0.89351947 0.99344443 0.73282745
0.05894682 0.95681827 0.77985120
0.14132294 0.65912487 0.01222991
0.77039474 0.77916288 0.07592015
0.90770331 0.37006864 0.19006873
0.45393973 0.63567221 0.96766611
0.19233491 0.81674820 0.89979236
0.96225851 0.62182009 0.02538216
0.75329519 0.88940660 0.79430269
0.59364972 0.53345030 0.50261106
0.83715909 0.74928365 0.44675671
0.09401561 0.70092968 0.97178960
0.71791607 0.62817144 0.45048738
No title
1
14.597702 0.442832 -0.086176
0.431061 12.134777 -0.064728
-0.090527 -0.020125 14.533691
C H O N
43 30 7 2
Direct configuration= 224
0.75197286 0.55709166 0.37840243
0.77471975 0.44588708 0.39669607
0.82476762 0.38227936 0.33237208
0.77395555 0.60380701 0.29496089
0.82452980 0.53996524 0.23071798
0.85211376 0.43066047 0.25113934
0.00183194 0.37552875 0.20202732
0.05896251 0.29010473 0.16552686
0.15360762 0.28956483 0.18009210
0.03992803 0.46278339 0.24889953
0.13502371 0.46086026 0.26167626
0.19437464 0.37343056 0.22974061
0.29865656 0.37406383 0.24731440
0.33703103 0.44628431 0.17236233
0.35350960 0.55752846 0.18855768
0.39071127 0.62172429 0.12100674
0.35486338 0.40363680 0.08372374
0.39284480 0.46631221 0.01563333
0.41239159 0.57497893 0.03533118
0.53685498 0.67597083 -0.00518497
0.54245020 0.78714908 0.01792713
0.62668054 0.82459757 0.04607365
0.61490453 0.60274702 -0.00285032
0.69882021 0.64127046 0.02529488
0.70433244 0.75183336 0.05127637
0.31980075 0.41845658 0.34477616
0.34526605 0.25638886 0.24480103
0.11608956 0.78712778 0.91353787
0.00075047 0.68476426 -0.02420156
0.95776112 0.76568319 0.90813530
0.86641640 0.78403796 0.88192792
0.84556777 0.86868716 0.81869295
0.72049168 0.82422146 0.72438692
0.64272459 0.76680109 0.74137846
0.60899297 0.69610917 0.67418342
0.65609176 0.68394333 0.59164170
0.64703299 0.60567621 0.51304356
0.77156021 0.71318573 0.48475497
0.73179972 0.74522402 0.57517283
0.76524080 0.81690573 0.63972542
0.91314477 0.93203649 0.78260550
0.00521412 0.91224901 0.80962862
0.02635078 0.82794431 0.87209924
0.84577243 0.29607855 0.34573420
0.75553324 0.41100533 0.46181145
0.75493824 0.69093752 0.28195437
0.84709062 0.57606612 0.16663755
0.19579478 0.22042328 0.15238009
0.02912783 0.22404283 0.12680016
-0.00352765 0.53212847 0.27577656
0.16276721 0.53056429 0.29841791
0.40322682 0.70786571 0.13505471
0.33707782 0.59582267 0.25471431
0.33970246 0.31912293 0.06663951
0.40817298 0.43143765 0.94752023
0.63116718 0.91072330 0.06563990
0.48075464 0.84214144 0.01376929
0.60836434 0.51664770 0.97703564
0.76027144 0.58472986 0.02696861
0.39440840 0.42167312 0.35471798
0.29407546 0.36292379 0.39654103
0.28864659 0.50123122 0.35912931
0.41897293 0.26022521 0.25970236
0.33883154 0.21384731 0.17850988
0.31470474 0.20566772 0.29724578
0.81140834 0.73743502 0.90927708
0.61138642 0.77471551 0.80902200
0.54967030 0.64924453 0.68767148
0.82505907 0.86303079 0.62480294
0.89329756 0.99678285 0.73353308
0.05876080 0.96106560 0.78203465
0.14262378 0.65929917 0.01292666
0.77005360 0.78107863 0.07354001
0.90760227 0.36851376 0.19025922
0.45293030 0.63646991 0.96758265
0.19274592 0.81955625 0.90170488
0.96337440 0.62008039 0.02456596
0.75317989 0.89089468 0.79423732
0.59261439 0.53354616 0.50242781
0.83850036 0.74778867 0.44767219
0.09491178 0.70081851 0.97252830
0.71791769 0.62779281 0.45076210
No title
1
14.590511 0.451860 -0.094113
0.439428 12.101629 -0.059083
-0.098642 -0.013112 14.528344
C H O N
43 30 7 2
Direct configuration= 225
0.75187240 0.55667311 0.37859662
0.77479420 0.44503209 0.39696228
0.82482168 0.38134641 0.33255442
0.77372089 0.60361788 0.29501279
0.82422326 0.53962769 0.23074590
0.85205366 0.42997304 0.25127787
0.00178870 0.37503290 0.20203434
0.05911748 0.28970938 0.16498412
0.15388562 0.28911500 0.17961062
0.03988224 0.46228218 0.24921846
0.13503196 0.46028508 0.26196500
0.19442691 0.37292388 0.22971819
0.29878447 0.37337566 0.24745193
0.33714096 0.44604884 0.17245453
0.35410023 0.55727967 0.18889843
0.39110249 0.62182438 0.12131044
0.35426289 0.40352091 0.08364996
0.39197061 0.46648805 0.01539720
0.41218239 0.57521184 0.03542437
0.53640587 0.67649571 -0.00548723
0.54201764 0.78803194 0.01720216
0.62629252 0.82566003 0.04509254
0.61459205 0.60302362 -0.00302955
0.69861145 0.64166559 0.02478798
0.70410481 0.75262349 0.05037030
0.31995290 0.41764775 0.34492789
0.34551685 0.25531363 0.24486379
0.11639963 0.78795384 0.91415867
0.00123622 0.68448961 -0.02429665
0.95801650 0.76587414 0.90822819
0.86663069 0.78412920 0.88175146
0.84558449 0.86931929 0.81863729
0.72058181 0.82472561 0.72429291
0.64256846 0.76749877 0.74119536
0.60874332 0.69670345 0.67404772
0.65603352 0.68423606 0.59166438
0.64679106 0.60564378 0.51301106
0.77187412 0.71277633 0.48502133
0.73201127 0.74517026 0.57534714
0.76562968 0.81700122 0.63974774
0.91316885 0.93327874 0.78293372
0.00526056 0.91362545 0.81036188
0.02644794 0.82870086 0.87264327
0.84605274 0.29483792 0.34587500
0.75572267 0.41003882 0.46212958
0.75463018 0.69100027 0.28217108
0.84660716 0.57580608 0.16671449
0.19613944 0.21992702 0.15141112
0.02933551 0.22361292 0.12583683
-0.00360682 0.53161706 0.27637277
0.16274057 0.52987564 0.29897070
0.40391118 0.70798649 0.13548736
0.33810684 0.59555334 0.25525715
0.33854318 0.31906573 0.06639079
0.40669048 0.43179556 0.94714037
0.63084538 0.91210473 0.06431285
0.48023334 0.84321309 0.01305488
0.60804409 0.51659623 0.97711588
0.76011822 0.58503620 0.02661204
0.39462732 0.42074581 0.35502177
0.29425932 0.36193261 0.39673625
0.28884313 0.50073542 0.35936544
0.41925205 0.25896159 0.26008972
0.33929571 0.21296668 0.17840794
0.31487708 0.20424275 0.29711031
0.81170406 0.73721889 0.90875369
0.61114756 0.77570328 0.80882703
0.54930289 0.65012578 0.68750934
0.82550739 0.86290106 0.62496509
0.89317131 0.99843266 0.73386583
0.05863709 0.96306921 0.78309340
0.14326194 0.65936381 0.01326309
0.76989290 0.78201527 0.07242509
0.90758488 0.36771742 0.19032709
0.45242939 0.63688035 0.96754151
0.19281444 0.82083240 0.90264344
0.96391215 0.61916849 0.02422713
0.75315242 0.89161370 0.79420394
0.59226627 0.53378352 0.50236502
0.83911474 0.74706807 0.44810596
0.09530994 0.70078538 0.97289843
0.71793292 0.62763446 0.45091687
No title
1
14.577338 0.468398 -0.108653
0.454755 12.040902 -0.048741
-0.113507 -0.000263 14.518548
C H O N
43 30 7 2
Direct configuration= 226
0.75168898 0.55590414 0.37895270
0.77493197 0.44346102 0.39745082
0.82492208 0.37963225 0.33288929
0.77329104 0.60327070 0.29510778
0.82366183 0.53900799 0.23079699
0.85194449 0.42871014 0.25153219
0.00171006 0.37412205 0.20204750
0.05940144 0.28898348 0.16398989
0.15439520 0.28828879 0.17872882
0.03979924 0.46136113 0.24980327
0.13504808 0.45922812 0.26249456
0.19452330 0.37199303 0.22967750
0.29901990 0.37211114 0.24770459
0.33734284 0.44561600 0.17262379
0.35518350 0.55682143 0.18952366
0.39181978 0.62200736 0.12186733
0.35316230 0.40330893 0.08351421
0.39036781 0.46681256 0.01496347
0.41179875 0.57563990 0.03559477
0.53558171 0.67746091 -0.00604197
0.54122296 0.78965518 0.01587248
0.62557898 0.82761345 0.04329336
0.61401876 0.60353239 -0.00335853
0.69822778 0.64239231 0.02385854
0.70368566 0.75407633 0.04870899
0.32023292 0.41616152 0.34520667
0.34597791 0.25333796 0.24497980
0.11696763 0.78947024 0.91529611
0.00212682 0.68398450 -0.02447024
0.95848446 0.76622448 0.90839856
0.86702319 0.78429670 0.88142821
0.84561431 0.87048059 0.81853487
0.72074631 0.82565173 0.72412037
0.64228125 0.76878086 0.74085916
0.60828484 0.69779567 0.67379837
0.65592644 0.68477387 0.59170569
0.64634764 0.60558457 0.51295128
0.77245027 0.71202352 0.48551008
0.73239928 0.74507101 0.57566685
0.76634239 0.81717607 0.63978897
0.91321184 0.93556043 0.78353440
0.00534480 0.91615318 0.81170478
0.02662571 0.83008993 0.87363986
0.84656818 0.29255827 0.34613420
0.75607139 0.40826267 0.46271348
0.75406570 0.69111574 0.28256787
0.84572139 0.57532897 0.16685518
0.19677077 0.21901595 0.14963602
0.02971568 0.22282391 0.12407189
-0.00375067 0.53067705 0.27746569
0.16269317 0.52861000 0.29998423
0.40516589 0.70820693 0.13628087
0.33999387 0.59505653 0.25625322
0.33641809 0.31896256 0.06593385
0.40397232 0.43245556 0.94644248
0.63025248 0.91464439 0.06187954
0.47927579 0.84518327 0.01174435
0.60745724 0.51650204 0.97726265
0.75983661 0.58559958 0.02595820
0.39503003 0.41904165 0.35557938
0.29459772 0.36011130 0.39709491
0.28920422 0.49982407 0.35979874
0.41976561 0.25663945 0.26080079
0.34014746 0.21134837 0.17822219
0.31519456 0.20162491 0.29686321
0.81224581 0.73682201 0.90779495
0.61070834 0.77751841 0.80846877
0.54862820 0.65174537 0.68721120
0.82632947 0.86266194 0.62526279
0.89293828 0.00146326 0.73447437
0.05840904 0.96674895 0.78503220
0.14443191 0.65948131 0.01388024
0.76959604 0.78373738 0.07038102
0.90755404 0.36625445 0.19045201
0.45151073 0.63763508 0.96746532
0.19293949 0.82317563 0.90436267
0.96489855 0.61749290 0.02360734
0.75310115 0.89293467 0.79414223
0.59162783 0.53422013 0.50224944
0.84024218 0.74574294 0.44890202
0.09604016 0.70072356 0.97357716
0.71796117 0.62734336 0.45120063
No title
1
14.574038 0.472542 -0.112296
0.458595 12.025688 -0.046150
-0.117232 0.002956 14.516094
C H O N
43 30 7 2
Direct configuration= 227
0.75164331 0.55571047 0.37904206
0.77496713 0.44306521 0.39757362
0.82494787 0.37920047 0.33297357
0.77318337 0.60318340 0.29513155
0.82352123 0.53885212 0.23080977
0.85191756 0.42839208 0.25159614
0.00169061 0.37389270 0.20205094
0.05947261 0.28880087 0.16374083
0.15452301 0.28808080 0.17850801
0.03977886 0.46112906 0.24995003
0.13505259 0.45896181 0.26262752
0.19454774 0.37175861 0.22966748
0.29907940 0.37179256 0.24776822
0.33739365 0.44550689 0.17266635
0.35545546 0.55670548 0.18968077
0.39199976 0.62205303 0.12200710
0.35288632 0.40325597 0.08347994
0.38996565 0.46689497 0.01485426
0.41170245 0.57574779 0.03563732
0.53537459 0.67770441 -0.00618143
0.54102282 0.79006459 0.01553863
0.62539897 0.82810610 0.04284176
0.61387475 0.60366081 -0.00344124
0.69813110 0.64257571 0.02362529
0.70357966 0.75444279 0.04829212
0.32030367 0.41578709 0.34527690
0.34609417 0.25284026 0.24500935
0.11710991 0.78985158 0.91558116
0.00235027 0.68385704 -0.02451345
0.95860175 0.76631249 0.90844133
0.86712149 0.78433884 0.88134724
0.84562141 0.87077304 0.81850900
0.72078723 0.82588493 0.72407699
0.64220874 0.76910391 0.74077457
0.60816947 0.69807094 0.67373555
0.65589943 0.68490932 0.59171592
0.64623644 0.60556983 0.51293619
0.77259511 0.71183361 0.48563290
0.73249670 0.74504579 0.57574712
0.76652108 0.81721984 0.63979945
0.91322209 0.93613482 0.78368461
0.00536551 0.91678931 0.81204104
0.02667013 0.83043939 0.87388952
0.84669821 0.29198396 0.34619971
0.75615954 0.40781512 0.46286028
0.75392421 0.69114490 0.28266719
0.84549944 0.57520910 0.16689032
0.19692890 0.21878679 0.14919129
0.02981079 0.22262558 0.12362963
-0.00378617 0.53044008 0.27773982
0.16268194 0.52829102 0.30023854
0.40548069 0.70826178 0.13648009
0.34046752 0.59493048 0.25650350
0.33588506 0.31893745 0.06581877
0.40329027 0.43262292 0.94626670
0.63010237 0.91528480 0.06126888
0.47903470 0.84568010 0.01141519
0.60731014 0.51647849 0.97729932
0.75976564 0.58574172 0.02579410
0.39513169 0.41861222 0.35571959
0.29468323 0.35965244 0.39718523
0.28929517 0.49959433 0.35990763
0.41989530 0.25605431 0.26097960
0.34036151 0.21094060 0.17817612
0.31527491 0.20096564 0.29680180
0.81238153 0.73672214 0.90755478
0.61059754 0.77797575 0.80837852
0.54845842 0.65215353 0.68713600
0.82653579 0.86260135 0.62533768
0.89287908 0.00222634 0.73462634
0.05835124 0.96767511 0.78551757
0.14472544 0.65951031 0.01403525
0.76952053 0.78417171 0.06986816
0.90754678 0.36588602 0.19048358
0.45128009 0.63782548 0.96744586
0.19297059 0.82376518 0.90479333
0.96514627 0.61707078 0.02345250
0.75308787 0.89326735 0.79412651
0.59146756 0.53433033 0.50222022
0.84052554 0.74540863 0.44910212
0.09622348 0.70070754 0.97374752
0.71796842 0.62726997 0.45127183
No title
1
14.563407 0.482391 -0.121360
0.467799 11.984660 -0.039230
-0.126508 0.011534 14.508548
C H O N
43 30 7 2
Direct configuration= 228
0.75150897 0.55530054 0.37932607
0.77504046 0.44215046 0.39775996
0.82508803 0.37794108 0.33315804
0.77292718 0.60289005 0.29518592
0.82319868 0.53845686 0.23085649
0.85174637 0.42771239 0.25170690
0.00168295 0.37325476 0.20206779
0.05968341 0.28833385 0.16310936
0.15476741 0.28746901 0.17786442
0.03978674 0.46052825 0.25034641
0.13498299 0.45835664 0.26299451
0.19462200 0.37112685 0.22973320
0.29921696 0.37101232 0.24787530
0.33753941 0.44508268 0.17284401
0.35614910 0.55643943 0.19004438
0.39244648 0.62206233 0.12235546
0.35218768 0.40321976 0.08330911
0.38892771 0.46723684 0.01469094
0.41142790 0.57592005 0.03565323
0.53493871 0.67822477 -0.00651835
0.54039652 0.79107831 0.01461666
0.62501045 0.82938750 0.04173668
0.61346426 0.60393277 -0.00369478
0.69784616 0.64302728 0.02303723
0.70334793 0.75536537 0.04717772
0.32049746 0.41485640 0.34552059
0.34640253 0.25155502 0.24504146
0.11724341 0.79067261 0.91642912
0.00286896 0.68349299 -0.02457525
0.95887398 0.76653521 0.90851829
0.86738996 0.78452779 0.88110459
0.84571023 0.87157381 0.81843775
0.72100646 0.82661293 0.72399792
0.64198127 0.76993562 0.74062086
0.60798116 0.69882830 0.67354818
0.65581942 0.68511440 0.59162629
0.64599480 0.60573094 0.51301048
0.77302929 0.71134074 0.48596168
0.73278874 0.74502704 0.57588060
0.76688813 0.81733538 0.63991176
0.91318304 0.93764834 0.78413012
0.00538902 0.91843038 0.81282908
0.02684948 0.83142566 0.87451628
0.84701581 0.29054287 0.34637488
0.75638731 0.40659721 0.46327980
0.75357501 0.69114907 0.28289239
0.84492199 0.57487943 0.16696784
0.19734496 0.21823585 0.14807978
0.03006712 0.22218066 0.12257312
-0.00383330 0.52972507 0.27843510
0.16262596 0.52741801 0.30087345
0.40633583 0.70842661 0.13699989
0.34173780 0.59455743 0.25714392
0.33452757 0.31886034 0.06555079
0.40153792 0.43308530 0.94582894
0.62970205 0.91701556 0.05969098
0.47835291 0.84703857 0.01056288
0.60696982 0.51652428 0.97744956
0.75958256 0.58608823 0.02536769
0.39533640 0.41747941 0.35607462
0.29492169 0.35849784 0.39738215
0.28951708 0.49897126 0.36016408
0.42018779 0.25452437 0.26145244
0.34089772 0.20990030 0.17804566
0.31552632 0.19926948 0.29663185
0.81278670 0.73640874 0.90695269
0.61029594 0.77918502 0.80809144
0.54791529 0.65310262 0.68696167
0.82711626 0.86244873 0.62555267
0.89272597 0.00419092 0.73507606
0.05815695 0.96996833 0.78681588
0.14550785 0.65947548 0.01449798
0.76932251 0.78531011 0.06857664
0.90751423 0.36492274 0.19058327
0.45065803 0.63836750 0.96737992
0.19313974 0.82527555 0.90591728
0.96586506 0.61603339 0.02299767
0.75308134 0.89410654 0.79400974
0.59104941 0.53457713 0.50211583
0.84108817 0.74447489 0.44966778
0.09675170 0.70093545 0.97404645
0.71800105 0.62701812 0.45144583
No title
1
14.544502 0.499905 -0.137479
0.484168 11.911700 -0.026924
-0.143005 0.026788 14.495130
C H O N
43 30 7 2
Direct configuration= 229
0.75127077 0.55456886 0.37983158
0.77517239 0.44051775 0.39809237
0.82533935 0.37569326 0.33348748
0.77247169 0.60236689 0.29528261
0.82262521 0.53775195 0.23093959
0.85144273 0.42649961 0.25190434
0.00167018 0.37211635 0.20209831
0.06005844 0.28750097 0.16198645
0.15520240 0.28637776 0.17672008
0.03980201 0.45945557 0.25105221
0.13486036 0.45727635 0.26364791
0.19475507 0.36999931 0.22985073
0.29946295 0.36961966 0.24806663
0.33779960 0.44432524 0.17316064
0.35738435 0.55596316 0.19069233
0.39324192 0.62207778 0.12297577
0.35094417 0.40315643 0.08300440
0.38707984 0.46784869 0.01439890
0.41093908 0.57622784 0.03568109
0.53416189 0.67915445 -0.00711873
0.53927947 0.79288943 0.01297467
0.62431600 0.83167618 0.03976891
0.61273305 0.60441904 -0.00414657
0.69733777 0.64383433 0.02199021
0.70293297 0.75701353 0.04519388
0.32084386 0.41319498 0.34595518
0.34695307 0.24926102 0.24510000
0.11748091 0.79213640 0.91793734
0.00379249 0.68284265 -0.02468433
0.95935825 0.76693213 0.90865534
0.86786724 0.78486489 0.88067300
0.84586717 0.87300274 0.81831040
0.72139555 0.82791180 0.72385688
0.64157515 0.77142035 0.74034640
0.60764481 0.70018032 0.67321395
0.65567664 0.68548059 0.59146656
0.64556464 0.60601871 0.51314225
0.77380305 0.71046011 0.48654759
0.73330867 0.74499296 0.57611845
0.76754135 0.81754085 0.64011189
0.91311207 0.94034865 0.78492150
0.00542962 0.92135776 0.81422985
0.02716809 0.83318455 0.87563083
0.84758315 0.28797054 0.34668813
0.75679479 0.40442296 0.46402752
0.75295380 0.69115673 0.28329269
0.84389484 0.57429190 0.16710541
0.19808483 0.21725354 0.14610303
0.03052263 0.22138772 0.12069397
-0.00391541 0.52844831 0.27967272
0.16252825 0.52585939 0.30200381
0.40785811 0.70871876 0.13792556
0.34399976 0.59388896 0.25828514
0.33211143 0.31872515 0.06507253
0.39841813 0.43391364 0.94504769
0.62898543 0.92010675 0.05688158
0.47713673 0.84946490 0.00904448
0.60636428 0.51660630 0.97771647
0.75925577 0.58670739 0.02460850
0.39570265 0.41545714 0.35670751
0.29534784 0.35643685 0.39773377
0.28991315 0.49785873 0.36062114
0.42071093 0.25179315 0.26229537
0.34185323 0.20804327 0.17781500
0.31597582 0.19624255 0.29633116
0.81350747 0.73584966 0.90588212
0.60975724 0.78134377 0.80757927
0.54694720 0.65479730 0.68665009
0.82814979 0.86217521 0.62593597
0.89245139 0.00769632 0.73587440
0.05780965 0.97405912 0.78912376
0.14690091 0.65941154 0.01532223
0.76896707 0.78734357 0.06627748
0.90745770 0.36320371 0.19076142
0.44955016 0.63933574 0.96726144
0.19344011 0.82796904 0.90791602
0.96714512 0.61418170 0.02219010
0.75306847 0.89560422 0.79380126
0.59030478 0.53501830 0.50192941
0.84209138 0.74280703 0.45067565
0.09769182 0.70134094 0.97457871
0.71805966 0.62656841 0.45175567
No title
1
14.532132 0.509680 -0.147154
0.493375 11.867251 -0.019703
-0.152896 0.035747 14.486601
C H O N
43 30 7 2
Direct configuration= 230
0.75119611 0.55406792 0.37999982
0.77523237 0.43952162 0.39830187
0.82546838 0.37451687 0.33362797
0.77216194 0.60199689 0.29549274
0.82228464 0.53730876 0.23106094
0.85124981 0.42563650 0.25201146
0.00177009 0.37136361 0.20208478
0.06020456 0.28697887 0.16131857
0.15546294 0.28576380 0.17604891
0.03970157 0.45869821 0.25142120
0.13484452 0.45655177 0.26402122
0.19485328 0.36917289 0.22989599
0.29964682 0.36880084 0.24817708
0.33795865 0.44378160 0.17335707
0.35807892 0.55565048 0.19114733
0.39375012 0.62205510 0.12326117
0.35014583 0.40311595 0.08287437
0.38601247 0.46821801 0.01418884
0.41060705 0.57647885 0.03568674
0.53364127 0.67971343 -0.00749457
0.53869752 0.79406260 0.01203732
0.62386442 0.83299206 0.03856652
0.61235736 0.60471008 -0.00441203
0.69698491 0.64433402 0.02137312
0.70266277 0.75805731 0.04400278
0.32105113 0.41222624 0.34623429
0.34727106 0.24790832 0.24512551
0.11775073 0.79310928 0.91883325
0.00431073 0.68249924 -0.02475781
0.95967380 0.76719195 0.90869643
0.86816257 0.78513215 0.88037298
0.84605044 0.87392620 0.81827427
0.72145624 0.82861715 0.72383851
0.64150556 0.77244425 0.74014429
0.60738696 0.70093268 0.67302663
0.65566458 0.68573555 0.59136043
0.64540267 0.60631186 0.51322736
0.77410085 0.70986168 0.48699569
0.73356106 0.74492791 0.57621561
0.76788622 0.81768899 0.64029298
0.91300553 0.94203498 0.78539937
0.00537419 0.92306564 0.81503861
0.02733871 0.83432626 0.87624651
0.84793080 0.28637317 0.34689273
0.75707146 0.40313260 0.46439113
0.75258448 0.69116146 0.28347581
0.84331492 0.57398278 0.16707626
0.19850393 0.21675669 0.14498275
0.03081295 0.22102464 0.11967204
-0.00397275 0.52765721 0.28042960
0.16248347 0.52499318 0.30272264
0.40880092 0.70886044 0.13847012
0.34540181 0.59341155 0.25891730
0.33069924 0.31868927 0.06480677
0.39655273 0.43447533 0.94463482
0.62853977 0.92199561 0.05519861
0.47635599 0.85095658 0.00811889
0.60602134 0.51662396 0.97789671
0.75908856 0.58701063 0.02414540
0.39591551 0.41422497 0.35708127
0.29560006 0.35519632 0.39793232
0.29013175 0.49718237 0.36087902
0.42100501 0.25015449 0.26279856
0.34241262 0.20692345 0.17765858
0.31626588 0.19442631 0.29613760
0.81395243 0.73544399 0.90526456
0.60939404 0.78266905 0.80726818
0.54637458 0.65579436 0.68644553
0.82882350 0.86201802 0.62617597
0.89229097 0.00976708 0.73642908
0.05761045 0.97646146 0.79051783
0.14764290 0.65937650 0.01576879
0.76875872 0.78856939 0.06492279
0.90739512 0.36222845 0.19090501
0.44888514 0.63993289 0.96716354
0.19347911 0.82946111 0.90916269
0.96795339 0.61303686 0.02171437
0.75311362 0.89653682 0.79362991
0.58981247 0.53522278 0.50179673
0.84278306 0.74184023 0.45119996
0.09838682 0.70157692 0.97496733
0.71807820 0.62628478 0.45198978
No title
1
14.518353 0.520567 -0.157930
0.503631 11.817740 -0.011660
-0.163914 0.045727 14.477101
C H O N
43 30 7 2
Direct configuration= 231
0.75111344 0.55350775 0.38018756
0.77530026 0.43840761 0.39853597
0.82561336 0.37320132 0.33378532
0.77181709 0.60158331 0.29572691
0.82190541 0.53681346 0.23119618
0.85103556 0.42467155 0.25213117
0.00188211 0.37052188 0.20207019
0.06036739 0.28639556 0.16057459
0.15575340 0.28507766 0.17530141
0.03959054 0.45785117 0.25183281
0.13482778 0.45574130 0.26443767
0.19496352 0.36824875 0.22994697
0.29985260 0.36788505 0.24830077
0.33813659 0.44317343 0.17357643
0.35885391 0.55529981 0.19165515
0.39431694 0.62202900 0.12357966
0.34925572 0.40307157 0.08272887
0.38482201 0.46863217 0.01395370
0.41023666 0.57675982 0.03569265
0.53306007 0.68033926 -0.00791417
0.53804698 0.79537569 0.01099151
0.62335887 0.83446483 0.03722531
0.61193804 0.60503608 -0.00470835
0.69659059 0.64489362 0.02068479
0.70235969 0.75922567 0.04267446
0.32128327 0.41114264 0.34654607
0.34762676 0.24639554 0.24515493
0.11805143 0.79419601 0.91983145
0.00488874 0.68211483 -0.02483913
0.96002542 0.76748210 0.90874232
0.86849136 0.78543095 0.88003867
0.84625396 0.87495858 0.81823362
0.72152329 0.82940576 0.72381770
0.64142694 0.77358931 0.73991840
0.60709870 0.70177430 0.67281723
0.65565084 0.68602073 0.59124199
0.64522190 0.60663972 0.51332194
0.77443372 0.70919190 0.48749568
0.73384257 0.74485484 0.57632414
0.76827072 0.81785414 0.64049500
0.91288569 0.94392015 0.78593097
0.00531158 0.92497457 0.81593901
0.02752843 0.83560210 0.87693221
0.84831991 0.28458663 0.34712192
0.75738130 0.40168926 0.46479732
0.75217287 0.69116695 0.28367961
0.84266862 0.57363774 0.16704351
0.19897070 0.21620174 0.14373473
0.03113612 0.22061929 0.11853346
-0.00403540 0.52677209 0.28127357
0.16243487 0.52402408 0.30352425
0.40985235 0.70901746 0.13907768
0.34696584 0.59287586 0.25962319
0.32912464 0.31865074 0.06450953
0.39447223 0.43510550 0.94417293
0.62803996 0.92410944 0.05332147
0.47548356 0.85262599 0.00708587
0.60563914 0.51664388 0.97809732
0.75890152 0.58735023 0.02362896
0.39615418 0.41284676 0.35749870
0.29588246 0.35380886 0.39815450
0.29037626 0.49642569 0.36116698
0.42133468 0.24832157 0.26336052
0.34303710 0.20567098 0.17748529
0.31659067 0.19239546 0.29592309
0.81444835 0.73499052 0.90457682
0.60898774 0.78415147 0.80692044
0.54573517 0.65690990 0.68621654
0.82957492 0.86184139 0.62644405
0.89211080 0.01208207 0.73704603
0.05738741 0.97914648 0.79207009
0.14847051 0.65933621 0.01626708
0.76852431 0.78994137 0.06341208
0.90732630 0.36113794 0.19106555
0.44814313 0.64060129 0.96705358
0.19352231 0.83112825 0.91055135
0.96885511 0.61175647 0.02118539
0.75316302 0.89757967 0.79343844
0.58926333 0.53545199 0.50164837
0.84355545 0.74075812 0.45178539
0.09916177 0.70183977 0.97540085
0.71809930 0.62596742 0.45225088
No title
1
14.513148 0.524464 -0.162291
0.507344 11.798447 -0.009188
-0.168336 0.048814 14.473981
C H O N
43 30 7 2
Direct configuration= 232
0.75113136 0.55310910 0.38020881
0.77531551 0.43790505 0.39866852
0.82559613 0.37286934 0.33386608
0.77165778 0.60148945 0.29589813
0.82175471 0.53661000 0.23129308
0.85101235 0.42410780 0.25213395
0.00192832 0.37012224 0.20200618
0.06039775 0.28616988 0.16033368
0.15585523 0.28489490 0.17506725
0.03947718 0.45739010 0.25193474
0.13490006 0.45525331 0.26455195
0.19504468 0.36774602 0.22988999
0.29998842 0.36749888 0.24838539
0.33819543 0.44298456 0.17365145
0.35911515 0.55504989 0.19183409
0.39455872 0.62203950 0.12367108
0.34885154 0.40302877 0.08275952
0.38440864 0.46869253 0.01382250
0.41004555 0.57699860 0.03568722
0.53275626 0.68070927 -0.00809897
0.53788906 0.79595893 0.01067158
0.62313010 0.83505379 0.03667481
0.61180950 0.60520845 -0.00480079
0.69649597 0.64514186 0.02045230
0.70218660 0.75972638 0.04219906
0.32135795 0.41073846 0.34662460
0.34774223 0.24585612 0.24516643
0.11818634 0.79471502 0.92016282
0.00518159 0.68206752 -0.02489362
0.96023164 0.76765421 0.90871024
0.86863084 0.78552380 0.87991826
0.84633745 0.87544301 0.81826393
0.72141517 0.82963079 0.72383506
0.64144663 0.77405916 0.73979092
0.60694789 0.70202932 0.67275696
0.65564300 0.68625220 0.59136356
0.64508048 0.60653445 0.51321847
0.77459821 0.70897675 0.48760479
0.73390683 0.74487660 0.57644881
0.76838171 0.81791083 0.64054910
0.91283443 0.94469261 0.78613806
0.00519947 0.92568315 0.81624778
0.02754434 0.83609294 0.87716348
0.84845890 0.28391513 0.34721573
0.75754450 0.40120523 0.46479221
0.75201627 0.69117675 0.28368876
0.84246439 0.57356625 0.16691611
0.19910417 0.21612675 0.14335561
0.03124104 0.22056010 0.11819891
-0.00411731 0.52644196 0.28161951
0.16244436 0.52378411 0.30389697
0.41028028 0.70897759 0.13926988
0.34760071 0.59259349 0.25984964
0.32858310 0.31870582 0.06442047
0.39370238 0.43542355 0.94405941
0.62783156 0.92484527 0.05260807
0.47515009 0.85323367 0.00667601
0.60551403 0.51650373 0.97817762
0.75884475 0.58739536 0.02342064
0.39628528 0.41231973 0.35765409
0.29596175 0.35325732 0.39824425
0.29043151 0.49617446 0.36126642
0.42145535 0.24765568 0.26355609
0.34325609 0.20519431 0.17739840
0.31671285 0.19163298 0.29582314
0.81465591 0.73476075 0.90432587
0.60880946 0.78474673 0.80676414
0.54556195 0.65733856 0.68609360
0.82988106 0.86175942 0.62657223
0.89202857 0.01295002 0.73735074
0.05733166 0.98009872 0.79265292
0.14869707 0.65931413 0.01641034
0.76844395 0.79045123 0.06286396
0.90730190 0.36079032 0.19114425
0.44787267 0.64085591 0.96696573
0.19359389 0.83172321 0.91110764
0.96921671 0.61119777 0.02101925
0.75325400 0.89807243 0.79335523
0.58915007 0.53568723 0.50161935
0.84379472 0.74031612 0.45200482
0.09941617 0.70184452 0.97567540
0.71810230 0.62583023 0.45239246
No title
1
14.508288 0.528102 -0.166363
0.510811 11.780434 -0.006881
-0.172465 0.051696 14.471068
C H O N
43 30 7 2
Direct configuration= 233
0.75114822 0.55273627 0.38022871
0.77532995 0.43743502 0.39879240
0.82558016 0.37255886 0.33394154
0.77150905 0.60140168 0.29605799
0.82161404 0.53641974 0.23138355
0.85099084 0.42358058 0.25213662
0.00197158 0.36974850 0.20194648
0.06042610 0.28595888 0.16010874
0.15595033 0.28472402 0.17484863
0.03937146 0.45695892 0.25202998
0.13496774 0.45479689 0.26465877
0.19512061 0.36727585 0.22983688
0.30011542 0.36713767 0.24846451
0.33825047 0.44280790 0.17372156
0.35935929 0.55481604 0.19200130
0.39478456 0.62204922 0.12375652
0.34847405 0.40298887 0.08278802
0.38402250 0.46874915 0.01369985
0.40986699 0.57722197 0.03568205
0.53247235 0.68105546 -0.00827170
0.53774130 0.79650450 0.01037267
0.62291609 0.83560479 0.03616056
0.61168936 0.60536972 -0.00488718
0.69640745 0.64537411 0.02023512
0.70202464 0.76019481 0.04175498
0.32142785 0.41036042 0.34669803
0.34785025 0.24535162 0.24517729
0.11831229 0.79520026 0.92047223
0.00545512 0.68202320 -0.02494442
0.96042420 0.76781510 0.90868030
0.86876105 0.78561062 0.87980583
0.84641529 0.87589602 0.81829217
0.72131413 0.82984127 0.72385120
0.64146485 0.77449859 0.73967181
0.60680694 0.70226788 0.67270059
0.65563565 0.68646864 0.59147705
0.64494840 0.60643608 0.51312183
0.77475195 0.70877547 0.48770675
0.73396689 0.74489689 0.57656526
0.76848537 0.81796379 0.64059964
0.91278640 0.94541498 0.78633132
0.00509464 0.92634577 0.81653598
0.02755912 0.83655191 0.87737938
0.84858895 0.28328708 0.34730348
0.75769706 0.40075251 0.46478756
0.75187001 0.69118596 0.28369726
0.84227362 0.57349949 0.16679710
0.19922874 0.21605667 0.14300162
0.03133895 0.22050480 0.11788652
-0.00419363 0.52613316 0.28194261
0.16245341 0.52355959 0.30424508
0.41068004 0.70894012 0.13944949
0.34819384 0.59232916 0.26006135
0.32807726 0.31875753 0.06433713
0.39298321 0.43572127 0.94395312
0.62763648 0.92553366 0.05194168
0.47483832 0.85380218 0.00629306
0.60539724 0.51637267 0.97825260
0.75879165 0.58743763 0.02322609
0.39640794 0.41182678 0.35779932
0.29603600 0.35274146 0.39832817
0.29048323 0.49593945 0.36135934
0.42156831 0.24703285 0.26373886
0.34346073 0.20474847 0.17731739
0.31682716 0.19091990 0.29572996
0.81484977 0.73454587 0.90409161
0.60864272 0.78530352 0.80661802
0.54540000 0.65773953 0.68597867
0.83016705 0.86168263 0.62669202
0.89195161 0.01376168 0.73763513
0.05727948 0.98098912 0.79319702
0.14890872 0.65929337 0.01654420
0.76836858 0.79092822 0.06235199
0.90727924 0.36046521 0.19121780
0.44761996 0.64109415 0.96688357
0.19366074 0.83227945 0.91162706
0.96955456 0.61067520 0.02086430
0.75333880 0.89853324 0.79327747
0.58904422 0.53590726 0.50159219
0.84401840 0.73990263 0.45220988
0.09965386 0.70184881 0.97593187
0.71810519 0.62570189 0.45252470
No title
1
14.505181 0.533176 -0.170978
0.515553 11.761261 -0.004221
-0.177154 0.055013 14.469290
C H O N
43 30 7 2
Direct configuration= 234
0.75112062 0.55229080 0.38037094
0.77535571 0.43693484 0.39886522
0.82558055 0.37204498 0.33405626
0.77139491 0.60129630 0.29616751
0.82149337 0.53620378 0.23142271
0.85096019 0.42308381 0.25211574
0.00191600 0.36930397 0.20184864
0.06052299 0.28573529 0.15992381
0.15597757 0.28451046 0.17460517
0.03934986 0.45646001 0.25215847
0.13501800 0.45427480 0.26480429
0.19530354 0.36676036 0.22977844
0.30027784 0.36668919 0.24855296
0.33826170 0.44261674 0.17383490
0.35966420 0.55456640 0.19207961
0.39500385 0.62199731 0.12390081
0.34807944 0.40302468 0.08276662
0.38359680 0.46881370 0.01374152
0.40960191 0.57745009 0.03561415
0.53221087 0.68152583 -0.00847349
0.53747228 0.79713877 0.01007043
0.62273730 0.83630475 0.03559139
0.61148641 0.60556695 -0.00498299
0.69637927 0.64565440 0.02002578
0.70185700 0.76074552 0.04131995
0.32150441 0.40994767 0.34677186
0.34798204 0.24479664 0.24517491
0.11836889 0.79571294 0.92080908
0.00578138 0.68184494 -0.02487476
0.96063715 0.76798024 0.90864330
0.86894039 0.78567883 0.87969579
0.84643818 0.87641375 0.81838046
0.72130994 0.83013466 0.72383627
0.64130296 0.77489452 0.73961196
0.60671070 0.70256558 0.67267897
0.65554579 0.68665060 0.59163337
0.64502954 0.60658921 0.51308152
0.77484784 0.70857580 0.48782930
0.73404469 0.74497883 0.57671875
0.76857809 0.81806235 0.64068980
0.91273605 0.94621607 0.78657275
0.00499705 0.92711143 0.81680964
0.02760980 0.83706343 0.87758912
0.84868220 0.28274365 0.34739402
0.75788282 0.40026182 0.46472029
0.75169614 0.69122868 0.28365018
0.84207265 0.57343396 0.16666440
0.19933078 0.21609154 0.14270327
0.03138984 0.22046219 0.11760154
-0.00431932 0.52573526 0.28229189
0.16244694 0.52331216 0.30462051
0.41115852 0.70883826 0.13961432
0.34887978 0.59195598 0.26027030
0.32756667 0.31881541 0.06427043
0.39223610 0.43607683 0.94381418
0.62740378 0.92622569 0.05121874
0.47454289 0.85437579 0.00586367
0.60529716 0.51615127 0.97835479
0.75873343 0.58741758 0.02300370
0.39657144 0.41129349 0.35795216
0.29608776 0.35216881 0.39841039
0.29050123 0.49571878 0.36144587
0.42169105 0.24639106 0.26391047
0.34366250 0.20427688 0.17722419
0.31693800 0.19015161 0.29560933
0.81509891 0.73426763 0.90383363
0.60846472 0.78594710 0.80639292
0.54525001 0.65814145 0.68582740
0.83045672 0.86156045 0.62686791
0.89182707 0.01470457 0.73797853
0.05722945 0.98186139 0.79378218
0.14914030 0.65916341 0.01673221
0.76826751 0.79143784 0.06181477
0.90728124 0.36006883 0.19124521
0.44733792 0.64137917 0.96673852
0.19389942 0.83291581 0.91220412
0.97000257 0.61021776 0.02060814
0.75344776 0.89914343 0.79316855
0.58873474 0.53591562 0.50151120
0.84427905 0.73945306 0.45238688
0.09973719 0.70198129 0.97615295
0.71815233 0.62542535 0.45259244
No title
1
14.502875 0.536943 -0.174404
0.519073 11.747027 -0.002246
-0.180635 0.057474 14.467971
C H O N
43 30 7 2
Direct configuration= 235
0.75110029 0.55195951 0.38047660
0.77537499 0.43656288 0.39891937
0.82558101 0.37166283 0.33414151
0.77131022 0.60121795 0.29624882
0.82140383 0.53604321 0.23145178
0.85093757 0.42271442 0.25210029
0.00187482 0.36897345 0.20177605
0.06059495 0.28556903 0.15978655
0.15599781 0.28435171 0.17442443
0.03933399 0.45608899 0.25225393
0.13505550 0.45388651 0.26491241
0.19543951 0.36637698 0.22973516
0.30039859 0.36635562 0.24861873
0.33827012 0.44247456 0.17391909
0.35989071 0.55438064 0.19213785
0.39516674 0.62195861 0.12400800
0.34778640 0.40305144 0.08275062
0.38328068 0.46886183 0.01377235
0.40940498 0.57761983 0.03556365
0.53201652 0.68187573 -0.00862345
0.53727226 0.79761058 0.00984586
0.62260420 0.83682544 0.03516865
0.61133563 0.60571371 -0.00505421
0.69635821 0.64586289 0.01987030
0.70173224 0.76115519 0.04099682
0.32156139 0.40964069 0.34682675
0.34808007 0.24438390 0.24517325
0.11841086 0.79609409 0.92105913
0.00602372 0.68171227 -0.02482294
0.96079523 0.76810298 0.90861586
0.86907352 0.78572951 0.87961412
0.84645505 0.87679872 0.81844594
0.72130675 0.83035284 0.72382514
0.64118261 0.77518902 0.73956743
0.60663914 0.70278699 0.67266285
0.65547906 0.68678590 0.59174939
0.64508973 0.60670306 0.51305159
0.77491913 0.70842727 0.48792035
0.73410247 0.74503970 0.57683273
0.76864693 0.81813559 0.64075675
0.91269849 0.94681174 0.78675189
0.00492443 0.92768077 0.81701270
0.02764734 0.83744375 0.87774480
0.84875162 0.28233949 0.34746135
0.75802089 0.39989688 0.46467045
0.75156700 0.69126052 0.28361517
0.84192340 0.57338533 0.16656583
0.19940648 0.21611749 0.14248176
0.03142757 0.22043055 0.11738996
-0.00441246 0.52543934 0.28255126
0.16244230 0.52312808 0.30489930
0.41151390 0.70876233 0.13973683
0.34938930 0.59167821 0.26042566
0.32718749 0.31885863 0.06422077
0.39168117 0.43634150 0.94371080
0.62723061 0.92674053 0.05068180
0.47432324 0.85480253 0.00554470
0.60522294 0.51598665 0.97843068
0.75869016 0.58740275 0.02283857
0.39669305 0.41089684 0.35806576
0.29612638 0.35174294 0.39847153
0.29051469 0.49555466 0.36151016
0.42178242 0.24591373 0.26403801
0.34381245 0.20392614 0.17715511
0.31702050 0.18958029 0.29551990
0.81528393 0.73406070 0.90364218
0.60833231 0.78642578 0.80622565
0.54513848 0.65844040 0.68571499
0.83067190 0.86146946 0.62699859
0.89173440 0.01540569 0.73823333
0.05719219 0.98250992 0.79421653
0.14931235 0.65906666 0.01687189
0.76819218 0.79181696 0.06141579
0.90728285 0.35977406 0.19126561
0.44712836 0.64159125 0.96663072
0.19407661 0.83338883 0.91263256
0.97033533 0.60987750 0.02041811
0.75352847 0.89959716 0.79308761
0.58850491 0.53592195 0.50145100
0.84447278 0.73911863 0.45251844
0.09979910 0.70207973 0.97631711
0.71818742 0.62521968 0.45264278
No title
1
14.501107 0.541126 -0.178677
0.523019 11.731125 0.000481
-0.184986 0.060887 14.467894
C H O N
43 30 7 2
Direct configuration= 236
0.75101811 0.55174284 0.38060536
0.77543207 0.43615476 0.39884648
0.82566229 0.37105162 0.33412970
0.77129111 0.60101180 0.29625688
0.82134291 0.53589179 0.23135601
0.85084851 0.42246815 0.25215570
0.00178028 0.36867428 0.20175080
0.06066830 0.28535795 0.15965961
0.15601655 0.28414891 0.17424397
0.03940412 0.45571102 0.25243427
0.13509365 0.45355022 0.26513957
0.19561603 0.36609530 0.22975955
0.30051922 0.36595444 0.24865639
0.33822463 0.44225154 0.17400620
0.36019887 0.55424016 0.19218740
0.39533069 0.62183739 0.12407896
0.34747551 0.40313160 0.08272776
0.38292425 0.46903968 0.01387493
0.40913109 0.57776233 0.03548778
0.53188369 0.68223903 -0.00880166
0.53697070 0.79815266 0.00958241
0.62245971 0.83742791 0.03466550
0.61115585 0.60586106 -0.00513624
0.69626096 0.64608431 0.01967912
0.70166233 0.76161485 0.04066975
0.32165848 0.40927535 0.34693883
0.34824956 0.24383671 0.24515018
0.11862785 0.79659069 0.92134601
0.00629212 0.68164190 -0.02482088
0.96094033 0.76815503 0.90864378
0.86923795 0.78577625 0.87952514
0.84643931 0.87722171 0.81857688
0.72140682 0.83070333 0.72383813
0.64097127 0.77552415 0.73955663
0.60655970 0.70308185 0.67273166
0.65547299 0.68684398 0.59168841
0.64497050 0.60665930 0.51309529
0.77500812 0.70831444 0.48804257
0.73412317 0.74506269 0.57689674
0.76876906 0.81831142 0.64089679
0.91263044 0.94747790 0.78701374
0.00493337 0.92837985 0.81725045
0.02776449 0.83790232 0.87789495
0.84879692 0.28193537 0.34755483
0.75816546 0.39939476 0.46467902
0.75139796 0.69131916 0.28353969
0.84172754 0.57328370 0.16655439
0.19950243 0.21614645 0.14225958
0.03140347 0.22033791 0.11716273
-0.00450609 0.52493576 0.28280992
0.16236417 0.52275056 0.30513320
0.41197785 0.70865316 0.13987061
0.35002691 0.59126049 0.26057367
0.32677702 0.31886382 0.06417928
0.39107290 0.43666727 0.94359923
0.62701993 0.92741393 0.05008470
0.47406907 0.85531751 0.00516693
0.60516079 0.51587394 0.97856533
0.75862954 0.58735028 0.02264453
0.39681829 0.41044834 0.35818961
0.29615277 0.35126875 0.39850765
0.29050755 0.49536310 0.36155761
0.42189476 0.24539228 0.26414925
0.34396587 0.20354759 0.17708775
0.31709820 0.18892830 0.29539401
0.81556820 0.73379910 0.90340310
0.60814152 0.78703026 0.80603715
0.54501299 0.65872885 0.68556700
0.83086434 0.86131369 0.62721139
0.89156143 0.01633898 0.73853088
0.05716111 0.98318497 0.79468725
0.14945565 0.65889695 0.01702922
0.76807707 0.79226751 0.06097638
0.90727726 0.35930411 0.19118103
0.44686729 0.64186426 0.96648256
0.19416917 0.83383445 0.91316997
0.97070907 0.60941320 0.02023056
0.75354604 0.90020525 0.79293790
0.58838761 0.53611371 0.50138967
0.84462742 0.73870791 0.45266439
0.09990501 0.70233318 0.97649445
0.71826488 0.62491881 0.45271918
No title
1
14.499573 0.544756 -0.182386
0.526445 11.717323 0.002849
-0.188763 0.063849 14.467828
C H O N
43 30 7 2
Direct configuration= 237
0.75094686 0.55155453 0.38071713
0.77548170 0.43580007 0.39878331
0.82573301 0.37052040 0.33411958
0.77127459 0.60083264 0.29626392
0.82129005 0.53576023 0.23127290
0.85077129 0.42225414 0.25220380
0.00169830 0.36841431 0.20172891
0.06073199 0.28517452 0.15954950
0.15603283 0.28397269 0.17408739
0.03946515 0.45538245 0.25259086
0.13512691 0.45325788 0.26533679
0.19576934 0.36585042 0.22978080
0.30062405 0.36560573 0.24868917
0.33818524 0.44205771 0.17408182
0.36046640 0.55411797 0.19223050
0.39547305 0.62173196 0.12414061
0.34720562 0.40320136 0.08270782
0.38261483 0.46919433 0.01396384
0.40889328 0.57788629 0.03542184
0.53176824 0.68255486 -0.00895642
0.53670871 0.79862395 0.00935359
0.62233399 0.83795170 0.03422868
0.61099973 0.60598921 -0.00520752
0.69617644 0.64627683 0.01951313
0.70160143 0.76201445 0.04038579
0.32174290 0.40895776 0.34703618
0.34839683 0.24336109 0.24513029
0.11881613 0.79702214 0.92159497
0.00652511 0.68158066 -0.02481901
0.96106626 0.76820021 0.90866805
0.86938064 0.78581684 0.87944795
0.84642558 0.87758930 0.81869045
0.72149359 0.83100792 0.72384937
0.64078772 0.77581548 0.73954715
0.60649067 0.70333812 0.67279132
0.65546769 0.68689447 0.59163547
0.64486704 0.60662129 0.51313319
0.77508543 0.70821631 0.48814869
0.73414115 0.74508266 0.57695230
0.76887506 0.81846416 0.64101833
0.91257126 0.94805681 0.78724087
0.00494099 0.92898736 0.81745667
0.02786608 0.83830078 0.87802522
0.84883638 0.28158410 0.34763603
0.75829109 0.39895831 0.46468659
0.75125119 0.69137019 0.28347412
0.84155756 0.57319544 0.16654442
0.19958566 0.21617164 0.14206677
0.03138252 0.22025747 0.11696552
-0.00458715 0.52449806 0.28303447
0.16229651 0.52242242 0.30533626
0.41238063 0.70855811 0.13998686
0.35058054 0.59089721 0.26070235
0.32642071 0.31886846 0.06414317
0.39054477 0.43695061 0.94350218
0.62683670 0.92799940 0.04956630
0.47384821 0.85576526 0.00483891
0.60510691 0.51577597 0.97868220
0.75857688 0.58730475 0.02247612
0.39692717 0.41005848 0.35829722
0.29617583 0.35085661 0.39853909
0.29050142 0.49519661 0.36159883
0.42199245 0.24493903 0.26424592
0.34409914 0.20321856 0.17702940
0.31716579 0.18836168 0.29528488
0.81581497 0.73357172 0.90319572
0.60797569 0.78755572 0.80587339
0.54490395 0.65897962 0.68543847
0.83103149 0.86117819 0.62739616
0.89141110 0.01715009 0.73878891
0.05713407 0.98377154 0.79509567
0.14958013 0.65874936 0.01716584
0.76797691 0.79265923 0.06059490
0.90727252 0.35889570 0.19110770
0.44664056 0.64210165 0.96635386
0.19424953 0.83422157 0.91363636
0.97103357 0.60900960 0.02006795
0.75356108 0.90073376 0.79280787
0.58828572 0.53628041 0.50133638
0.84476180 0.73835087 0.45279118
0.09999693 0.70255337 0.97664836
0.71833223 0.62465729 0.45278555
No title
1
14.498603 0.549071 -0.187136
0.530534 11.701491 0.006320
-0.193628 0.068202 14.468365
C H O N
43 30 7 2
Direct configuration= 238
0.75090739 0.55141949 0.38066999
0.77556092 0.43531961 0.39867641
0.82578482 0.37009808 0.33397472
0.77124885 0.60067316 0.29622035
0.82120273 0.53560466 0.23120389
0.85073063 0.42195732 0.25222228
0.00169153 0.36818781 0.20178999
0.06069465 0.28496169 0.15943665
0.15613330 0.28387811 0.17402737
0.03948975 0.45499211 0.25281080
0.13519874 0.45289536 0.26560282
0.19581704 0.36568066 0.22985105
0.30073359 0.36521323 0.24872574
0.33814521 0.44187219 0.17410961
0.36078433 0.55388223 0.19233497
0.39565997 0.62168401 0.12411835
0.34686137 0.40320223 0.08277004
0.38224593 0.46940546 0.01386674
0.40865835 0.57812227 0.03535464
0.53158012 0.68283643 -0.00915200
0.53652401 0.79911990 0.00906453
0.62213596 0.83849287 0.03369920
0.61089214 0.60610863 -0.00528228
0.69601098 0.64646419 0.01929692
0.70148677 0.76241980 0.04002787
0.32185596 0.40857828 0.34715984
0.34859326 0.24273567 0.24510892
0.11889823 0.79744875 0.92191886
0.00673828 0.68155887 -0.02488152
0.96126782 0.76829675 0.90869865
0.86952280 0.78584939 0.87936975
0.84642305 0.87805524 0.81882500
0.72150331 0.83136220 0.72390522
0.64075828 0.77630194 0.73947989
0.60643810 0.70360161 0.67276342
0.65547773 0.68696063 0.59157204
0.64478984 0.60660603 0.51322046
0.77513838 0.70804304 0.48827296
0.73415699 0.74512029 0.57698795
0.76894210 0.81856306 0.64114480
0.91247469 0.94879207 0.78753798
0.00494982 0.92964890 0.81777352
0.02800854 0.83872670 0.87820175
0.84892191 0.28096977 0.34776697
0.75844138 0.39836583 0.46471823
0.75108403 0.69133506 0.28338525
0.84135592 0.57308288 0.16655684
0.19973736 0.21609511 0.14181150
0.03130914 0.22008494 0.11673096
-0.00465675 0.52383938 0.28328158
0.16217720 0.52194461 0.30555159
0.41290953 0.70839540 0.14012068
0.35129944 0.59040674 0.26085320
0.32601920 0.31885759 0.06410442
0.38992480 0.43733461 0.94349112
0.62661414 0.92884379 0.04896556
0.47350776 0.85640093 0.00443348
0.60504955 0.51579572 0.97886992
0.75845365 0.58727914 0.02227325
0.39703376 0.40960044 0.35842940
0.29619408 0.35037498 0.39854865
0.29049951 0.49494519 0.36161655
0.42214832 0.24440296 0.26433070
0.34425093 0.20282823 0.17695520
0.31723939 0.18767484 0.29513072
0.81617328 0.73327517 0.90292662
0.60768804 0.78825326 0.80577353
0.54476742 0.65923234 0.68528228
0.83124380 0.86102432 0.62766139
0.89117565 0.01819978 0.73913877
0.05717132 0.98451225 0.79551365
0.14961935 0.65859045 0.01727072
0.76788540 0.79317815 0.06016937
0.90718345 0.35838461 0.19100418
0.44636915 0.64239258 0.96623815
0.19448264 0.83472796 0.91420803
0.97143915 0.60848844 0.01988294
0.75351926 0.90143207 0.79265723
0.58810395 0.53642654 0.50125723
0.84489748 0.73794305 0.45293658
0.10029524 0.70283230 0.97692718
0.71840124 0.62442979 0.45300333
No title
1
14.497452 0.554189 -0.192770
0.535384 11.682713 0.010437
-0.199398 0.073364 14.469003
C H O N
43 30 7 2
Direct configuration= 239
0.75086061 0.55125915 0.38061410
0.77565502 0.43474899 0.39854979
0.82584638 0.36959656 0.33380306
0.77121836 0.60048377 0.29616871
0.82109919 0.53541997 0.23112205
0.85068252 0.42160480 0.25224426
0.00168361 0.36791878 0.20186248
0.06065040 0.28470899 0.15930286
0.15625248 0.28376575 0.17395625
0.03951918 0.45452842 0.25307178
0.13528420 0.45246465 0.26591848
0.19587371 0.36547898 0.22993442
0.30086369 0.36474700 0.24876926
0.33809781 0.44165185 0.17414261
0.36116157 0.55360207 0.19245906
0.39588170 0.62162699 0.12409203
0.34645306 0.40320338 0.08284371
0.38180823 0.46965641 0.01375137
0.40837957 0.57840267 0.03527478
0.53135679 0.68317101 -0.00938413
0.53630460 0.79970914 0.00872149
0.62190063 0.83913592 0.03307100
0.61076443 0.60625054 -0.00537103
0.69581456 0.64668688 0.01904038
0.70135045 0.76290144 0.03960322
0.32199028 0.40812747 0.34730666
0.34882649 0.24199280 0.24508384
0.11899558 0.79795523 0.92230290
0.00699110 0.68153292 -0.02495557
0.96150687 0.76841130 0.90873501
0.86969136 0.78588801 0.87927705
0.84641993 0.87860855 0.81898445
0.72151473 0.83178294 0.72397135
0.64072314 0.77687974 0.73939997
0.60637563 0.70391458 0.67273025
0.65548958 0.68703922 0.59149680
0.64469832 0.60658791 0.51332394
0.77520130 0.70783717 0.48842043
0.73417579 0.74516496 0.57703022
0.76902164 0.81868042 0.64129478
0.91235999 0.94966522 0.78789010
0.00496015 0.93043444 0.81814911
0.02817742 0.83923240 0.87841105
0.84902366 0.28024005 0.34792247
0.75861989 0.39766207 0.46475599
0.75088575 0.69129345 0.28327979
0.84111680 0.57294928 0.16657153
0.19991723 0.21600428 0.14150883
0.03122208 0.21988017 0.11645279
-0.00473895 0.52305701 0.28357480
0.16203595 0.52137708 0.30580707
0.41353701 0.70820187 0.14027963
0.35215242 0.58982383 0.26103254
0.32554295 0.31884487 0.06405830
0.38918927 0.43779095 0.94347765
0.62634957 0.92984701 0.04825276
0.47310352 0.85715623 0.00395233
0.60498158 0.51581913 0.97909253
0.75830741 0.58724888 0.02203262
0.39716043 0.40905632 0.35858635
0.29621593 0.34980295 0.39856012
0.29049735 0.49464659 0.36163763
0.42233345 0.24376619 0.26443148
0.34443109 0.20236462 0.17686738
0.31732689 0.18685915 0.29494812
0.81659830 0.73292292 0.90260768
0.60734653 0.78908187 0.80565479
0.54460531 0.65953263 0.68509690
0.83149579 0.86084137 0.62797608
0.89089610 0.01944640 0.73955331
0.05721539 0.98539176 0.79600917
0.14966599 0.65840164 0.01739518
0.76777648 0.79379468 0.05966451
0.90707795 0.35777769 0.19088153
0.44604705 0.64273829 0.96610072
0.19475918 0.83532901 0.91488598
0.97192037 0.60786938 0.01966384
0.75346931 0.90226150 0.79247835
0.58788825 0.53660020 0.50116325
0.84505863 0.73745857 0.45310919
0.10064909 0.70316331 0.97725790
0.71848328 0.62415947 0.45326172
No title
1
14.494423 0.558578 -0.198060
0.539528 11.665620 0.015627
-0.204852 0.079863 14.469774
C H O N
43 30 7 2
Direct configuration= 240
0.75089098 0.55100371 0.38051355
0.77567442 0.43433542 0.39851291
0.82585743 0.36915873 0.33369718
0.77112047 0.60050822 0.29608482
0.82096874 0.53518306 0.23117537
0.85076013 0.42119622 0.25200863
0.00170156 0.36759865 0.20193070
0.06066902 0.28450098 0.15922836
0.15629444 0.28365980 0.17392492
0.03953845 0.45403452 0.25331339
0.13520877 0.45201481 0.26614967
0.19588595 0.36528139 0.23002983
0.30095892 0.36439164 0.24884427
0.33808470 0.44151416 0.17418627
0.36153376 0.55329346 0.19249192
0.39605869 0.62163531 0.12414762
0.34614601 0.40320665 0.08275852
0.38130915 0.46984434 0.01369215
0.40820999 0.57867456 0.03514753
0.53110914 0.68337736 -0.00958584
0.53607567 0.80017201 0.00832506
0.62173384 0.83977839 0.03257416
0.61060716 0.60643524 -0.00545066
0.69570966 0.64687465 0.01883269
0.70115862 0.76326761 0.03917447
0.32209157 0.40770629 0.34736902
0.34899282 0.24137206 0.24506806
0.11930902 0.79840417 0.92271055
0.00723066 0.68135969 -0.02494106
0.96171077 0.76863272 0.90870061
0.86989754 0.78598708 0.87919239
0.84638739 0.87914856 0.81908162
0.72146063 0.83216225 0.72400177
0.64072829 0.77745738 0.73934701
0.60640340 0.70417117 0.67254447
0.65542355 0.68718360 0.59162273
0.64472194 0.60661869 0.51338106
0.77526134 0.70758210 0.48855201
0.73425593 0.74529482 0.57710103
0.76900439 0.81862359 0.64135474
0.91228372 0.95056065 0.78822056
0.00491552 0.93114426 0.81851191
0.02829115 0.83957640 0.87866413
0.84914212 0.27947568 0.34804396
0.75881024 0.39699681 0.46470541
0.75072502 0.69115814 0.28317178
0.84092518 0.57286760 0.16652540
0.20010431 0.21586500 0.14123618
0.03112133 0.21964159 0.11621635
-0.00483949 0.52235263 0.28388717
0.16194486 0.52095036 0.30612648
0.41415282 0.70800895 0.14042219
0.35297978 0.58929089 0.26125149
0.32512389 0.31880577 0.06401962
0.38854218 0.43818020 0.94344936
0.62610067 0.93074894 0.04759259
0.47275808 0.85786132 0.00351309
0.60491690 0.51590379 0.97932024
0.75807609 0.58730058 0.02181771
0.39726472 0.40857402 0.35874843
0.29623326 0.34928091 0.39856208
0.29052051 0.49430674 0.36162808
0.42255562 0.24317007 0.26449612
0.34460006 0.20191983 0.17676342
0.31740877 0.18607929 0.29477422
0.81698965 0.73253699 0.90231711
0.60700873 0.78988863 0.80554026
0.54449045 0.65979951 0.68493719
0.83173965 0.86069781 0.62829457
0.89061272 0.02058332 0.74002234
0.05729924 0.98623876 0.79638989
0.14977742 0.65815927 0.01755935
0.76767663 0.79438372 0.05922303
0.90696747 0.35735237 0.19086606
0.44579063 0.64307843 0.96603227
0.19488965 0.83585992 0.91550322
0.97243809 0.60744795 0.01936168
0.75344230 0.90303092 0.79238684
0.58758879 0.53665931 0.50107454
0.84517613 0.73705749 0.45327043
0.10079135 0.70353650 0.97752061
0.71856522 0.62394569 0.45349621
No title
1
14.492553 0.561289 -0.201327
0.542088 11.655062 0.018833
-0.208221 0.083878 14.470251
C H O N
43 30 7 2
Direct configuration= 241
0.75090977 0.55084573 0.38045152
0.77568649 0.43407961 0.39849024
0.82586433 0.36888794 0.33363189
0.77105997 0.60052340 0.29603298
0.82088821 0.53503653 0.23120833
0.85080811 0.42094355 0.25186322
0.00171273 0.36740060 0.20197291
0.06068055 0.28437234 0.15918240
0.15632037 0.28359426 0.17390560
0.03955053 0.45372892 0.25346272
0.13516233 0.45173648 0.26629254
0.19589357 0.36515913 0.23008880
0.30101785 0.36417177 0.24889071
0.33807664 0.44142898 0.17421326
0.36176377 0.55310247 0.19251237
0.39616804 0.62164040 0.12418200
0.34595629 0.40320877 0.08270584
0.38100077 0.46996073 0.01365543
0.40810514 0.57884283 0.03506884
0.53095605 0.68350514 -0.00971053
0.53593404 0.80045853 0.00808005
0.62163054 0.84017602 0.03226712
0.61050993 0.60654955 -0.00549992
0.69564477 0.64699091 0.01870435
0.70103992 0.76349431 0.03890954
0.32215426 0.40744573 0.34740765
0.34909570 0.24098806 0.24505850
0.11950266 0.79868165 0.92296230
0.00737870 0.68125248 -0.02493200
0.96183669 0.76876964 0.90867936
0.87002487 0.78604834 0.87914013
0.84636719 0.87948257 0.81914150
0.72142713 0.83239687 0.72402045
0.64073134 0.77781470 0.73931418
0.60642045 0.70432995 0.67242967
0.65538276 0.68727288 0.59170046
0.64473653 0.60663770 0.51341633
0.77529852 0.70742426 0.48863336
0.73430543 0.74537511 0.57714476
0.76899375 0.81858842 0.64139178
0.91223650 0.95111444 0.78842444
0.00488789 0.93158322 0.81873581
0.02836140 0.83978907 0.87882038
0.84921550 0.27900280 0.34811920
0.75892797 0.39658528 0.46467437
0.75062573 0.69107453 0.28310506
0.84080681 0.57281714 0.16649689
0.20021985 0.21577890 0.14106786
0.03105908 0.21949412 0.11607036
-0.00490138 0.52191684 0.28408023
0.16188876 0.52068632 0.30632383
0.41453334 0.70788943 0.14051042
0.35349107 0.58896096 0.26138702
0.32486500 0.31878169 0.06399564
0.38814232 0.43842113 0.94343165
0.62594654 0.93130713 0.04718459
0.47254441 0.85829769 0.00324157
0.60487698 0.51595609 0.97946085
0.75793312 0.58733269 0.02168492
0.39732929 0.40827560 0.35884867
0.29624408 0.34895799 0.39856341
0.29053489 0.49409652 0.36162227
0.42269302 0.24280126 0.26453623
0.34470451 0.20164469 0.17669935
0.31745948 0.18559694 0.29466701
0.81723143 0.73229827 0.90213783
0.60679984 0.79038778 0.80546926
0.54441939 0.65996467 0.68483846
0.83189041 0.86060884 0.62849137
0.89043752 0.02128648 0.74031170
0.05735095 0.98676253 0.79662486
0.14984635 0.65800926 0.01766082
0.76761471 0.79474826 0.05895020
0.90689931 0.35708931 0.19085658
0.44563212 0.64328890 0.96598986
0.19497029 0.83618807 0.91588436
0.97275796 0.60718726 0.01917527
0.75342543 0.90350689 0.79233015
0.58740376 0.53669597 0.50101967
0.84524885 0.73680931 0.45337013
0.10087922 0.70376721 0.97768281
0.71861594 0.62381336 0.45364110
No title
1
14.487993 0.564937 -0.206971
0.545498 11.640114 0.024263
-0.214035 0.090721 14.470187
C H O N
43 30 7 2
Direct configuration= 242
0.75094421 0.55063775 0.38045211
0.77568617 0.43377379 0.39846869
0.82587151 0.36838149 0.33361714
0.77093163 0.60046772 0.29601318
0.82077895 0.53488382 0.23121218
0.85084384 0.42047593 0.25163771
0.00169825 0.36696378 0.20199081
0.06073932 0.28410876 0.15910750
0.15634504 0.28333081 0.17382455
0.03944481 0.45321886 0.25366569
0.13501699 0.45138983 0.26650427
0.19592837 0.36485909 0.23016053
0.30106990 0.36393543 0.24896616
0.33810813 0.44125530 0.17419243
0.36211619 0.55289757 0.19254086
0.39633419 0.62162674 0.12422631
0.34572611 0.40321945 0.08254493
0.38049153 0.47019231 0.01365690
0.40798341 0.57901164 0.03503009
0.53073976 0.68372947 -0.00985076
0.53566736 0.80086922 0.00763704
0.62145452 0.84078177 0.03188720
0.61032300 0.60678782 -0.00556010
0.69552976 0.64722029 0.01853532
0.70092813 0.76385589 0.03853290
0.32221357 0.40703533 0.34737720
0.34919836 0.24054968 0.24503299
0.11966356 0.79898068 0.92337112
0.00772765 0.68132957 -0.02506150
0.96198051 0.76895432 0.90865541
0.87018843 0.78625918 0.87901251
0.84634128 0.88000628 0.81917574
0.72136351 0.83278237 0.72402629
0.64058335 0.77824558 0.73929848
0.60639955 0.70462273 0.67238258
0.65540130 0.68743463 0.59178041
0.64460637 0.60646086 0.51340920
0.77539876 0.70720151 0.48880399
0.73435260 0.74542474 0.57718421
0.76906804 0.81856770 0.64143563
0.91218260 0.95196865 0.78875365
0.00488083 0.93227354 0.81905166
0.02848732 0.84013294 0.87904317
0.84930815 0.27837057 0.34816509
0.75912160 0.39598562 0.46453275
0.75046618 0.69106219 0.28296207
0.84064283 0.57276670 0.16644801
0.20034243 0.21569923 0.14088486
0.03100210 0.21930772 0.11593382
-0.00504032 0.52136425 0.28444043
0.16183782 0.52039580 0.30670431
0.41513324 0.70776626 0.14065741
0.35428900 0.58847131 0.26159703
0.32450453 0.31871340 0.06395390
0.38758880 0.43869631 0.94332538
0.62572347 0.93201977 0.04657478
0.47233402 0.85886630 0.00285153
0.60480605 0.51602000 0.97966969
0.75769597 0.58741425 0.02151052
0.39741539 0.40786133 0.35901814
0.29626443 0.34848780 0.39856012
0.29058372 0.49374447 0.36158609
0.42291272 0.24223927 0.26455829
0.34486648 0.20123374 0.17659860
0.31754166 0.18484582 0.29451876
0.81758672 0.73189942 0.90187717
0.60652735 0.79113896 0.80526148
0.54442220 0.66024499 0.68469648
0.83204333 0.86045620 0.62881116
0.89016627 0.02231331 0.74082326
0.05739439 0.98750459 0.79691895
0.14999562 0.65777719 0.01782634
0.76744397 0.79524509 0.05854669
0.90694153 0.35683159 0.19088136
0.44541657 0.64359237 0.96594860
0.19520926 0.83677288 0.91640316
0.97316301 0.60666351 0.01897411
0.75342170 0.90412788 0.79228147
0.58725836 0.53690778 0.50098793
0.84533759 0.73650932 0.45350950
0.10093257 0.70396061 0.97801480
0.71870698 0.62353943 0.45371666
No title
1
14.484877 0.567430 -0.210828
0.547828 11.629898 0.027973
-0.218008 0.095398 14.470144
C H O N
43 30 7 2
Direct configuration= 243
0.75096780 0.55049542 0.38045258
0.77568600 0.43356451 0.39845404
0.82587652 0.36803491 0.33360720
0.77084390 0.60042966 0.29599962
0.82070428 0.53477934 0.23121483
0.85086829 0.42015601 0.25148371
0.00168845 0.36666484 0.20200316
0.06077953 0.28392840 0.15905640
0.15636194 0.28315055 0.17376923
0.03937269 0.45286975 0.25380452
0.13491776 0.45115255 0.26664902
0.19595224 0.36465373 0.23020965
0.30110555 0.36377365 0.24901780
0.33812969 0.44113644 0.17417824
0.36235718 0.55275726 0.19256048
0.39644779 0.62161734 0.12425664
0.34556869 0.40322688 0.08243490
0.38014333 0.47035091 0.01365770
0.40790015 0.57912721 0.03500352
0.53059180 0.68388310 -0.00994673
0.53548482 0.80115051 0.00733409
0.62133395 0.84119651 0.03162734
0.61019513 0.60695095 -0.00560135
0.69545104 0.64737735 0.01841971
0.70085151 0.76410352 0.03827535
0.32225419 0.40675448 0.34735651
0.34926862 0.24024967 0.24501570
0.11977362 0.79918511 0.92365050
0.00796617 0.68138230 -0.02514994
0.96207879 0.76908069 0.90863903
0.87030017 0.78640347 0.87892528
0.84632347 0.88036466 0.81919900
0.72131995 0.83304619 0.72403016
0.64048209 0.77854049 0.73928760
0.60638520 0.70482312 0.67235031
0.65541396 0.68754529 0.59183502
0.64451741 0.60633987 0.51340433
0.77546739 0.70704899 0.48892070
0.73438485 0.74545868 0.57721118
0.76911884 0.81855349 0.64146563
0.91214568 0.95255309 0.78897842
0.00487596 0.93274582 0.81926734
0.02857341 0.84036814 0.87919537
0.84937163 0.27793788 0.34819664
0.75925406 0.39557527 0.46443617
0.75035706 0.69105385 0.28286431
0.84053071 0.57273224 0.16641457
0.20042619 0.21564475 0.14075984
0.03096315 0.21918024 0.11584053
-0.00513509 0.52098598 0.28468672
0.16180316 0.52019684 0.30696441
0.41554345 0.70768178 0.14075805
0.35483467 0.58813596 0.26174090
0.32425809 0.31866676 0.06392529
0.38721028 0.43888479 0.94325252
0.62557064 0.93250775 0.04615775
0.47218996 0.85925563 0.00258476
0.60475761 0.51606367 0.97981239
0.75753377 0.58747020 0.02139125
0.39747438 0.40757774 0.35913410
0.29627843 0.34816602 0.39855801
0.29061716 0.49350356 0.36156147
0.42306305 0.24185462 0.26457358
0.34497727 0.20095252 0.17652990
0.31759795 0.18433185 0.29441765
0.81782963 0.73162649 0.90169922
0.60634084 0.79165318 0.80511920
0.54442403 0.66043688 0.68459937
0.83214799 0.86035157 0.62902980
0.88998076 0.02301586 0.74117254
0.05742402 0.98801227 0.79711977
0.15009777 0.65761827 0.01793956
0.76732702 0.79558530 0.05827074
0.90697045 0.35665521 0.19089838
0.44526913 0.64380011 0.96592026
0.19537268 0.83717281 0.91675766
0.97343998 0.60630508 0.01883687
0.75341901 0.90455286 0.79224804
0.58715890 0.53705276 0.50096615
0.84539837 0.73630395 0.45360486
0.10096910 0.70409280 0.97824167
0.71876931 0.62335192 0.45376839
No title
1
14.480572 0.570676 -0.216184
0.550837 11.617054 0.032989
-0.223543 0.101741 14.468658
C H O N
43 30 7 2
Direct configuration= 244
0.75097625 0.55038559 0.38053465
0.77574452 0.43322596 0.39836117
0.82588990 0.36758048 0.33358236
0.77074126 0.60024731 0.29600105
0.82062667 0.53466142 0.23115057
0.85075788 0.41977531 0.25147843
0.00168616 0.36622371 0.20201315
0.06080374 0.28360281 0.15895911
0.15643303 0.28284289 0.17368892
0.03916920 0.45241500 0.25399423
0.13485627 0.45089220 0.26686719
0.19594374 0.36433471 0.23026125
0.30113860 0.36356798 0.24902417
0.33819320 0.44096079 0.17409735
0.36265970 0.55259754 0.19264558
0.39664376 0.62162077 0.12426190
0.34532910 0.40318124 0.08238226
0.37972855 0.47061643 0.01352869
0.40778082 0.57924063 0.03505354
0.53039719 0.68418498 -0.01004739
0.53530878 0.80157049 0.00693328
0.62110943 0.84161518 0.03128811
0.61004348 0.60715348 -0.00563496
0.69527429 0.64764771 0.01826993
0.70075224 0.76452488 0.03795707
0.32230927 0.40637062 0.34732414
0.34935686 0.23990410 0.24498786
0.11995477 0.79951663 0.92398527
0.00814566 0.68130090 -0.02518791
0.96221766 0.76923066 0.90863017
0.87036024 0.78659370 0.87879741
0.84632686 0.88085628 0.81920585
0.72126619 0.83339765 0.72399888
0.64028742 0.77888597 0.73924262
0.60633569 0.70514446 0.67241528
0.65546233 0.68762448 0.59179907
0.64452454 0.60635455 0.51343556
0.77556805 0.70683475 0.48907452
0.73441701 0.74541909 0.57722213
0.76922207 0.81861045 0.64158950
0.91210434 0.95328471 0.78930966
0.00493202 0.93340298 0.81953757
0.02871196 0.84077235 0.87935505
0.84943701 0.27741862 0.34819931
0.75942413 0.39503740 0.46429370
0.75019652 0.69116012 0.28270637
0.84038284 0.57270680 0.16638397
0.20050945 0.21558217 0.14063110
0.03095039 0.21903510 0.11577087
-0.00529219 0.52053570 0.28505174
0.16174177 0.51993771 0.30732699
0.41610011 0.70760173 0.14090043
0.35557908 0.58768917 0.26190707
0.32395283 0.31859931 0.06387060
0.38672633 0.43910313 0.94314869
0.62537629 0.93309513 0.04561380
0.47204108 0.85972472 0.00223183
0.60467808 0.51610550 0.97999455
0.75735668 0.58753031 0.02125617
0.39753709 0.40721798 0.35929259
0.29630388 0.34774906 0.39854223
0.29067133 0.49318812 0.36151224
0.42322948 0.24133977 0.26456306
0.34512540 0.20060797 0.17646104
0.31768993 0.18365397 0.29428193
0.81817241 0.73129243 0.90144663
0.60610386 0.79233203 0.80489181
0.54447296 0.66069880 0.68448256
0.83226570 0.86021555 0.62931793
0.88973164 0.02397512 0.74165955
0.05742017 0.98864924 0.79735967
0.15023630 0.65741980 0.01808927
0.76714650 0.79600070 0.05791092
0.90709624 0.35641747 0.19085890
0.44505134 0.64402778 0.96588361
0.19550804 0.83765883 0.91722336
0.97384588 0.60596192 0.01857152
0.75339573 0.90502236 0.79218243
0.58692358 0.53710983 0.50093079
0.84549685 0.73609905 0.45372597
0.10113972 0.70416762 0.97861549
0.71883114 0.62308028 0.45379215
No title
1
14.474918 0.574938 -0.223218
0.554789 11.600186 0.039577
-0.230812 0.110072 14.466707
C H O N
43 30 7 2
Direct configuration= 245
0.75098743 0.55024113 0.38064250
0.77582146 0.43278086 0.39823938
0.82590763 0.36698300 0.33354995
0.77060648 0.60000761 0.29600296
0.82052473 0.53450644 0.23106617
0.85061295 0.41927481 0.25147162
0.00168331 0.36564369 0.20202647
0.06083561 0.28317479 0.15883148
0.15652649 0.28243841 0.17358361
0.03890213 0.45181703 0.25424351
0.13477570 0.45054975 0.26715383
0.19593271 0.36391524 0.23032918
0.30118209 0.36329754 0.24903264
0.33827665 0.44072988 0.17399122
0.36305723 0.55238737 0.19275757
0.39690123 0.62162521 0.12426890
0.34501434 0.40312136 0.08231302
0.37918348 0.47096579 0.01335890
0.40762405 0.57938976 0.03511913
0.53014138 0.68458204 -0.01017983
0.53507715 0.80212304 0.00640655
0.62081414 0.84216600 0.03084224
0.60984416 0.60741986 -0.00567928
0.69504190 0.64800336 0.01807298
0.70062152 0.76507916 0.03753876
0.32238175 0.40586591 0.34728183
0.34947288 0.23944972 0.24495151
0.12019283 0.79995219 0.92442492
0.00838147 0.68119383 -0.02523767
0.96240004 0.76942780 0.90861855
0.87043903 0.78684388 0.87862939
0.84633116 0.88150265 0.81921462
0.72119544 0.83385979 0.72395761
0.64003154 0.77934032 0.73918328
0.60627058 0.70556693 0.67250044
0.65552583 0.68772861 0.59175184
0.64453391 0.60637382 0.51347657
0.77570043 0.70655292 0.48927670
0.73445927 0.74536702 0.57723656
0.76935773 0.81868521 0.64175224
0.91204996 0.95424641 0.78974439
0.00500559 0.93426679 0.81989222
0.02889394 0.84130364 0.87956467
0.84952308 0.27673587 0.34820310
0.75964767 0.39433025 0.46410692
0.74998549 0.69130002 0.28249879
0.84018857 0.57267342 0.16634372
0.20061879 0.21549994 0.14046208
0.03093363 0.21884432 0.11567944
-0.00549823 0.51994345 0.28553131
0.16166140 0.51959677 0.30780333
0.41683152 0.70749615 0.14108775
0.35655729 0.58710131 0.26212590
0.32355180 0.31851078 0.06379866
0.38609042 0.43939046 0.94301196
0.62512049 0.93386791 0.04489897
0.47184515 0.86034180 0.00176797
0.60457370 0.51616040 0.98023376
0.75712394 0.58760952 0.02107863
0.39761967 0.40674482 0.35950097
0.29633745 0.34720085 0.39852171
0.29074258 0.49277339 0.36144775
0.42344831 0.24066278 0.26454958
0.34532009 0.20015496 0.17637083
0.31781092 0.18276276 0.29410403
0.81862271 0.73085326 0.90111518
0.60579219 0.79322486 0.80459271
0.54453708 0.66104325 0.68432903
0.83242054 0.86003646 0.62969650
0.88940430 0.02523610 0.74229865
0.05741504 0.98948656 0.79767446
0.15041843 0.65715867 0.01828607
0.76690901 0.79654721 0.05743803
0.90726155 0.35610487 0.19080723
0.44476513 0.64432722 0.96583524
0.19568596 0.83829745 0.91783489
0.97437911 0.60551077 0.01822333
0.75336495 0.90563971 0.79209604
0.58661438 0.53718498 0.50088420
0.84562636 0.73582951 0.45388520
0.10136406 0.70426565 0.97910655
0.71891247 0.62272308 0.45382352
No title
1
14.472042 0.578562 -0.228324
0.558070 11.589137 0.043627
-0.236088 0.115215 14.463925
C H O N
43 30 7 2
Direct configuration= 246
0.75100672 0.55002813 0.38071994
0.77592959 0.43241073 0.39811821
0.82591357 0.36658727 0.33350010
0.77051379 0.59995520 0.29592414
0.82043673 0.53428526 0.23104791
0.85045154 0.41909508 0.25156000
0.00172666 0.36528788 0.20208905
0.06090388 0.28284474 0.15877123
0.15654717 0.28221867 0.17356482
0.03882225 0.45147317 0.25448025
0.13473446 0.45027021 0.26734140
0.19584665 0.36368996 0.23038539
0.30122121 0.36303503 0.24891291
0.33834511 0.44063330 0.17397981
0.36333650 0.55221162 0.19279504
0.39713467 0.62166886 0.12441115
0.34478485 0.40309890 0.08226322
0.37884664 0.47112693 0.01317486
0.40750762 0.57947342 0.03510865
0.52993875 0.68490638 -0.01028567
0.53497533 0.80254925 0.00607893
0.62062976 0.84249121 0.03052017
0.60968644 0.60755539 -0.00568678
0.69489816 0.64831884 0.01795066
0.70040035 0.76550730 0.03725155
0.32245590 0.40552719 0.34730084
0.34956856 0.23908436 0.24492197
0.12035740 0.80024936 0.92473354
0.00852685 0.68111108 -0.02525606
0.96252075 0.76962529 0.90858052
0.87051399 0.78693850 0.87854498
0.84634412 0.88191076 0.81924476
0.72114736 0.83414221 0.72389197
0.63994300 0.77974314 0.73906416
0.60628568 0.70583358 0.67244015
0.65548682 0.68773447 0.59174305
0.64449252 0.60632978 0.51346433
0.77584583 0.70634633 0.48932361
0.73458600 0.74534894 0.57732884
0.76934472 0.81869731 0.64191837
0.91203935 0.95490794 0.79005552
0.00505358 0.93487941 0.82012308
0.02903861 0.84170024 0.87972078
0.84956540 0.27628022 0.34817297
0.75978447 0.39383156 0.46400056
0.74985542 0.69136350 0.28235623
0.84006353 0.57269634 0.16629894
0.20073607 0.21533351 0.14033350
0.03093212 0.21862492 0.11560046
-0.00569271 0.51954889 0.28589075
0.16156161 0.51931091 0.30812600
0.41734760 0.70742809 0.14121010
0.35725418 0.58670747 0.26228024
0.32328850 0.31843827 0.06372040
0.38565962 0.43958132 0.94289374
0.62493772 0.93430592 0.04440891
0.47169713 0.86076917 0.00142725
0.60447304 0.51619483 0.98039080
0.75699619 0.58768178 0.02098563
0.39766007 0.40641887 0.35963926
0.29636772 0.34681440 0.39848687
0.29079168 0.49252269 0.36138640
0.42353064 0.24019550 0.26450690
0.34545090 0.19990318 0.17635228
0.31793759 0.18219485 0.29395645
0.81893033 0.73060966 0.90084888
0.60553768 0.79384820 0.80441719
0.54454049 0.66124336 0.68426705
0.83259829 0.85997633 0.62993311
0.88918479 0.02618299 0.74275855
0.05740106 0.99010158 0.79785246
0.15065476 0.65689124 0.01851787
0.76680394 0.79693270 0.05713567
0.90723354 0.35583119 0.19070652
0.44454178 0.64449224 0.96581776
0.19573873 0.83869121 0.91826043
0.97463670 0.60510346 0.01800869
0.75327369 0.90596016 0.79197069
0.58645888 0.53730127 0.50089714
0.84572235 0.73570598 0.45402245
0.10158637 0.70446524 0.97933879
0.71891501 0.62260644 0.45395786
No title
1
14.468653 0.582833 -0.234342
0.561938 11.576113 0.048402
-0.242307 0.121278 14.460646
C H O N
43 30 7 2
Direct configuration= 247
0.75102957 0.54977678 0.38081130
0.77605713 0.43197407 0.39797553
0.82592067 0.36612040 0.33344146
0.77040450 0.59989346 0.29583120
0.82033304 0.53402434 0.23102642
0.85026134 0.41888304 0.25166418
0.00177792 0.36486803 0.20216295
0.06098445 0.28245536 0.15870034
0.15657161 0.28195941 0.17354275
0.03872828 0.45106737 0.25475943
0.13468602 0.44994031 0.26756262
0.19574530 0.36342418 0.23045170
0.30126735 0.36272536 0.24877186
0.33842583 0.44051934 0.17396643
0.36366581 0.55200413 0.19283939
0.39740993 0.62172019 0.12457892
0.34451429 0.40307251 0.08220442
0.37844940 0.47131728 0.01295769
0.40737032 0.57957218 0.03509622
0.52969972 0.68528917 -0.01041064
0.53485501 0.80305233 0.00569251
0.62041213 0.84287515 0.03014029
0.60950045 0.60771536 -0.00569574
0.69472855 0.64869117 0.01780628
0.70013933 0.76601267 0.03691272
0.32254342 0.40512752 0.34732339
0.34968145 0.23865328 0.24488731
0.12055146 0.80059972 0.92509735
0.00869827 0.68101341 -0.02527766
0.96266299 0.76985827 0.90853568
0.87060230 0.78705014 0.87844548
0.84635930 0.88239224 0.81928017
0.72109057 0.83447548 0.72381448
0.63983843 0.78021851 0.73892356
0.60630338 0.70614822 0.67236899
0.65544083 0.68774140 0.59173267
0.64444373 0.60627784 0.51344991
0.77601732 0.70610251 0.48937905
0.73473545 0.74532752 0.57743769
0.76932945 0.81871150 0.64211421
0.91202676 0.95568827 0.79042209
0.00511007 0.93560204 0.82039505
0.02920912 0.84216802 0.87990475
0.84961543 0.27574265 0.34813762
0.75994584 0.39324321 0.46387539
0.74970199 0.69143851 0.28218808
0.83991609 0.57272346 0.16624608
0.20087433 0.21513719 0.14018203
0.03093036 0.21836611 0.11550743
-0.00592170 0.51908325 0.28631455
0.16144421 0.51897352 0.30850645
0.41795609 0.70734752 0.14135458
0.35807597 0.58624246 0.26246263
0.32297808 0.31835287 0.06362806
0.38515162 0.43980672 0.94275412
0.62472189 0.93482303 0.04383096
0.47152233 0.86127363 0.00102536
0.60435445 0.51623540 0.98057588
0.75684551 0.58776714 0.02087590
0.39770786 0.40603422 0.35980241
0.29640352 0.34635846 0.39844593
0.29084962 0.49222693 0.36131418
0.42362784 0.23964419 0.26445679
0.34560518 0.19960610 0.17633056
0.31808704 0.18152485 0.29378272
0.81929295 0.73032228 0.90053514
0.60523736 0.79458382 0.80420995
0.54454443 0.66147948 0.68419390
0.83280796 0.85990519 0.63021216
0.88892591 0.02729999 0.74330032
0.05738447 0.99082710 0.79806208
0.15093357 0.65657549 0.01879133
0.76667980 0.79738772 0.05677903
0.90720056 0.35550836 0.19058787
0.44427841 0.64468703 0.96579700
0.19580100 0.83915552 0.91876199
0.97494042 0.60462292 0.01775589
0.75316593 0.90633833 0.79182277
0.58627553 0.53743854 0.50091229
0.84583560 0.73556014 0.45418435
0.10184851 0.70470052 0.97961262
0.71891809 0.62246875 0.45411628
No title
1
14.467030 0.587815 -0.240442
0.566371 11.564472 0.052249
-0.248605 0.126193 14.456211
C H O N
43 30 7 2
Direct configuration= 248
0.75106506 0.54955481 0.38075733
0.77613988 0.43155340 0.39798596
0.82592516 0.36565409 0.33338170
0.77028008 0.59987607 0.29578931
0.82014839 0.53393843 0.23099406
0.85025622 0.41859655 0.25160348
0.00178384 0.36455178 0.20229738
0.06103399 0.28213009 0.15871078
0.15660137 0.28169995 0.17353423
0.03872484 0.45074607 0.25508177
0.13460854 0.44962505 0.26779955
0.19570418 0.36323095 0.23050698
0.30131781 0.36239793 0.24865723
0.33846525 0.44038770 0.17396963
0.36401058 0.55184558 0.19291758
0.39773011 0.62166651 0.12472945
0.34428335 0.40314360 0.08204805
0.37807880 0.47139682 0.01289125
0.40722271 0.57969277 0.03507998
0.52947601 0.68556668 -0.01055742
0.53463171 0.80349684 0.00534266
0.62022668 0.84344095 0.02976771
0.60929324 0.60793535 -0.00567228
0.69459325 0.64895442 0.01766317
0.69998797 0.76642041 0.03663643
0.32262174 0.40475874 0.34732854
0.34977622 0.23819741 0.24483396
0.12058778 0.80088751 0.92544132
0.00893376 0.68097788 -0.02530789
0.96283667 0.77010811 0.90850578
0.87079287 0.78716178 0.87833708
0.84632545 0.88277208 0.81934378
0.72098212 0.83475276 0.72381553
0.63977377 0.78076768 0.73876854
0.60628149 0.70634251 0.67218505
0.65546817 0.68778770 0.59172212
0.64436268 0.60627303 0.51348639
0.77611249 0.70594569 0.48952188
0.73486467 0.74519035 0.57757981
0.76942729 0.81873699 0.64217061
0.91196378 0.95647622 0.79072532
0.00514463 0.93627046 0.82066511
0.02933145 0.84258004 0.88011283
0.84965446 0.27520993 0.34807005
0.76008808 0.39267369 0.46376983
0.74957625 0.69145508 0.28203313
0.83977624 0.57272749 0.16623039
0.20102901 0.21488103 0.14005025
0.03093327 0.21798936 0.11537271
-0.00615627 0.51859856 0.28672072
0.16129240 0.51857472 0.30884703
0.41855058 0.70730649 0.14150126
0.35886646 0.58580132 0.26263602
0.32269057 0.31827935 0.06352069
0.38467647 0.44000014 0.94252449
0.62450457 0.93522649 0.04328869
0.47132778 0.86179053 0.00061625
0.60420793 0.51625597 0.98074224
0.75670075 0.58793825 0.02080411
0.39777321 0.40565504 0.35995015
0.29643784 0.34589235 0.39840194
0.29089905 0.49199175 0.36123348
0.42369260 0.23913100 0.26439781
0.34574346 0.19934968 0.17629932
0.31826292 0.18093472 0.29361181
0.81957898 0.73007255 0.90021361
0.60494181 0.79527567 0.80399335
0.54452067 0.66169398 0.68417036
0.83298489 0.85984532 0.63047402
0.88870770 0.02841584 0.74384635
0.05738295 0.99160350 0.79822011
0.15123147 0.65630316 0.01906697
0.76655459 0.79782152 0.05644323
0.90697451 0.35522418 0.19051797
0.44403548 0.64490828 0.96577092
0.19598287 0.83965130 0.91922405
0.97513022 0.60409653 0.01752516
0.75308082 0.90666242 0.79167802
0.58612494 0.53755645 0.50093325
0.84603503 0.73547234 0.45429071
0.10212385 0.70483447 0.97988067
0.71895189 0.62233191 0.45423423
No title
1
14.465284 0.593178 -0.247009
0.571144 11.551940 0.056391
-0.255385 0.131485 14.451437
C H O N
43 30 7 2
Direct configuration= 249
0.75110334 0.54931561 0.38069929
0.77622915 0.43110002 0.39799736
0.82593015 0.36515158 0.33331748
0.77014610 0.59985741 0.29574416
0.81994958 0.53384595 0.23095915
0.85025078 0.41828783 0.25153819
0.00179040 0.36421090 0.20244223
0.06108745 0.28177953 0.15872214
0.15663349 0.28142033 0.17352515
0.03872141 0.45039967 0.25542900
0.13452535 0.44928521 0.26805476
0.19566000 0.36302270 0.23056656
0.30137220 0.36204511 0.24853391
0.33850776 0.44024582 0.17397312
0.36438189 0.55167451 0.19300200
0.39807495 0.62160843 0.12489172
0.34403459 0.40322040 0.08187953
0.37767971 0.47148275 0.01281951
0.40706372 0.57982281 0.03506238
0.52923497 0.68586593 -0.01071568
0.53439094 0.80397615 0.00496568
0.62002660 0.84405097 0.02936622
0.60907006 0.60817251 -0.00564718
0.69444740 0.64923824 0.01750892
0.69982471 0.76686003 0.03633869
0.32270621 0.40436128 0.34733424
0.34987841 0.23770610 0.24477667
0.12062694 0.80119746 0.92581168
0.00918732 0.68093950 -0.02534033
0.96302356 0.77037728 0.90847358
0.87099796 0.78728204 0.87822041
0.84628889 0.88318140 0.81941215
0.72086525 0.83505163 0.72381654
0.63970388 0.78135962 0.73860141
0.60625777 0.70655200 0.67198690
0.65549758 0.68783758 0.59171077
0.64427543 0.60626786 0.51352565
0.77621509 0.70577656 0.48967578
0.73500393 0.74504241 0.57773297
0.76953265 0.81876438 0.64223138
0.91189581 0.95732524 0.79105161
0.00518171 0.93699066 0.82095576
0.02946311 0.84302390 0.88033685
0.84969665 0.27463586 0.34799748
0.76024139 0.39205993 0.46365639
0.74944078 0.69147306 0.28186619
0.83962565 0.57273191 0.16621344
0.20119558 0.21460497 0.13990848
0.03093648 0.21758341 0.11522774
-0.00640845 0.51807615 0.28715816
0.16112926 0.51814486 0.30921385
0.41919075 0.70726191 0.14165950
0.35971784 0.58532545 0.26282323
0.32238098 0.31820030 0.06340495
0.38416468 0.44020891 0.94227692
0.62427016 0.93566165 0.04270449
0.47111792 0.86234786 0.00017543
0.60405025 0.51627813 0.98092131
0.75654478 0.58812275 0.02072667
0.39784378 0.40524629 0.36010939
0.29647495 0.34539003 0.39835471
0.29095232 0.49173833 0.36114667
0.42376249 0.23857795 0.26433447
0.34589243 0.19907329 0.17626581
0.31845243 0.18029876 0.29342801
0.81988689 0.72980344 0.89986756
0.60462321 0.79602151 0.80375974
0.54449499 0.66192515 0.68414493
0.83317555 0.85978059 0.63075611
0.88847259 0.02961820 0.74443395
0.05738110 0.99244012 0.79839006
0.15155246 0.65600941 0.01936402
0.76641945 0.79828923 0.05608143
0.90673119 0.35491807 0.19044268
0.44377383 0.64514684 0.96574266
0.19617873 0.84018528 0.91972157
0.97533465 0.60352928 0.01727694
0.75298898 0.90701178 0.79152201
0.58596277 0.53768358 0.50095572
0.84624984 0.73537758 0.45440536
0.10242039 0.70497856 0.98016942
0.71898840 0.62218437 0.45436130
No title
1
14.463430 0.596716 -0.251853
0.574308 11.542498 0.058877
-0.260362 0.134684 14.447237
C H O N
43 30 7 2
Direct configuration= 250
0.75111215 0.54917127 0.38065988
0.77628144 0.43081883 0.39801486
0.82592991 0.36482483 0.33326909
0.77005268 0.59982359 0.29573462
0.81979669 0.53381958 0.23092083
0.85026607 0.41806881 0.25144415
0.00173715 0.36399019 0.20255044
0.06104852 0.28154148 0.15875205
0.15669326 0.28119494 0.17351379
0.03866163 0.45014737 0.25566953
0.13449222 0.44904498 0.26825562
0.19567985 0.36286571 0.23058345
0.30141215 0.36181040 0.24851187
0.33852215 0.44015052 0.17394295
0.36465115 0.55151580 0.19309929
0.39835623 0.62154055 0.12494825
0.34383539 0.40323245 0.08179344
0.37743958 0.47157522 0.01274292
0.40694614 0.57991640 0.03507014
0.52905571 0.68606733 -0.01083012
0.53420661 0.80429972 0.00472005
0.61986779 0.84442811 0.02904581
0.60893030 0.60832381 -0.00562425
0.69432849 0.64941145 0.01740118
0.69975165 0.76713865 0.03614380
0.32275427 0.40408642 0.34731662
0.34994010 0.23737389 0.24472457
0.12079733 0.80149341 0.92606271
0.00935523 0.68079868 -0.02529549
0.96319766 0.77052928 0.90849708
0.87114444 0.78735582 0.87812517
0.84626192 0.88348525 0.81944343
0.72083358 0.83525578 0.72378966
0.63957114 0.78173088 0.73847265
0.60621755 0.70671671 0.67187523
0.65554529 0.68787216 0.59169990
0.64423964 0.60630907 0.51357229
0.77635086 0.70571853 0.48977328
0.73512244 0.74491574 0.57783453
0.76963614 0.81877284 0.64224103
0.91180489 0.95790037 0.79128220
0.00518417 0.93751999 0.82114862
0.02953300 0.84333874 0.88050287
0.84972733 0.27419311 0.34793243
0.76033436 0.39160560 0.46362379
0.74934479 0.69148804 0.28175547
0.83951376 0.57272512 0.16621668
0.20130059 0.21441244 0.13983249
0.03095961 0.21727578 0.11513126
-0.00657410 0.51767684 0.28746754
0.16100869 0.51782171 0.30947622
0.41964569 0.70721320 0.14177508
0.36032049 0.58499559 0.26297150
0.32216965 0.31818617 0.06331675
0.38379755 0.44036747 0.94209775
0.62410108 0.93605158 0.04231041
0.47093238 0.86277990 -0.00015362
0.60392261 0.51631784 0.98104993
0.75644388 0.58828684 0.02068720
0.39790908 0.40494397 0.36021661
0.29650260 0.34502089 0.39832019
0.29098876 0.49157137 0.36108035
0.42382216 0.23819438 0.26429506
0.34599007 0.19886068 0.17619472
0.31858855 0.17985052 0.29331593
0.82009460 0.72963768 0.89960836
0.60441136 0.79654248 0.80355601
0.54447131 0.66209308 0.68413781
0.83329746 0.85973401 0.63094827
0.88831854 0.03050244 0.74485598
0.05736887 0.99305918 0.79850805
0.15176891 0.65586172 0.01955084
0.76631802 0.79862017 0.05582478
0.90659459 0.35470795 0.19040317
0.44358894 0.64533452 0.96570923
0.19620930 0.84051232 0.92007767
0.97551516 0.60326012 0.01701486
0.75296631 0.90728411 0.79145982
0.58584270 0.53774641 0.50096648
0.84633006 0.73528012 0.45452017
0.10260078 0.70496721 0.98040894
0.71905522 0.62204400 0.45439290
No title
1
14.458929 0.605311 -0.263617
0.581991 11.519565 0.064916
-0.272450 0.142455 14.437037
C H O N
43 30 7 2
Direct configuration= 251
0.75113361 0.54882044 0.38056420
0.77640864 0.43013527 0.39805755
0.82592947 0.36403062 0.33315167
0.76982576 0.59974145 0.29571139
0.81942529 0.53375564 0.23082760
0.85030327 0.41753649 0.25121581
0.00160802 0.36345365 0.20281337
0.06095413 0.28096286 0.15882481
0.15683856 0.28064704 0.17348633
0.03851680 0.44953397 0.25625394
0.13441208 0.44846090 0.26874369
0.19572815 0.36248408 0.23062457
0.30150929 0.36123987 0.24845847
0.33855715 0.43991890 0.17386970
0.36530539 0.55112973 0.19333593
0.39903958 0.62137527 0.12508583
0.34335142 0.40326197 0.08158413
0.37685617 0.47180023 0.01255663
0.40666048 0.58014400 0.03508885
0.52862007 0.68655711 -0.01110837
0.53375844 0.80508656 0.00412300
0.61948152 0.84534519 0.02826711
0.60859076 0.60869167 -0.00556871
0.69403943 0.64983265 0.01713924
0.69957384 0.76781611 0.03567015
0.32287118 0.40341828 0.34727396
0.35009010 0.23656634 0.24459818
0.12121124 0.80221245 0.92667259
0.00976322 0.68045623 -0.02518634
0.96362046 0.77089861 0.90855425
0.87150013 0.78753510 0.87789389
0.84619626 0.88422381 0.81951927
0.72075649 0.83575207 0.72372426
0.63924837 0.78263352 0.73815953
0.60611968 0.70711718 0.67160382
0.65566117 0.68795618 0.59167351
0.64415274 0.60640923 0.51368555
0.77668079 0.70557728 0.49001028
0.73541047 0.74460766 0.57808141
0.76988754 0.81879331 0.64226458
0.91158388 0.95929826 0.79184208
0.00518999 0.93880654 0.82161694
0.02970274 0.84410385 0.88090614
0.84980210 0.27311691 0.34777464
0.76056044 0.39050118 0.46354488
0.74911153 0.69152461 0.28148639
0.83924197 0.57270868 0.16622447
0.20155571 0.21394444 0.13964805
0.03101588 0.21652808 0.11489702
-0.00697596 0.51670613 0.28821918
0.16071624 0.51703611 0.31011367
0.42075091 0.70709436 0.14205629
0.36178469 0.58419322 0.26333236
0.32165625 0.31815204 0.06310230
0.38290548 0.44075330 0.94166209
0.62368978 0.93699983 0.04135268
0.47048114 0.86383048 -0.00095338
0.60361267 0.51641439 0.98136227
0.75619867 0.58868581 0.02059115
0.39806799 0.40420896 0.36047730
0.29656999 0.34412359 0.39823652
0.29107730 0.49116555 0.36091932
0.42396731 0.23726202 0.26419954
0.34622733 0.19834387 0.17602218
0.31891937 0.17876092 0.29304393
0.82059904 0.72923477 0.89897889
0.60389624 0.79780913 0.80306065
0.54441366 0.66250128 0.68412042
0.83359377 0.85962055 0.63141523
0.88794417 0.03265161 0.74588077
0.05733890 0.99456388 0.79879442
0.15229493 0.65550241 0.02000494
0.76607123 0.79942488 0.05520104
0.90626288 0.35419734 0.19030718
0.44313970 0.64579088 0.96562778
0.19628366 0.84130698 0.92094266
0.97595358 0.60260592 0.01637843
0.75291102 0.90794613 0.79130858
0.58555101 0.53789922 0.50099248
0.84652510 0.73504307 0.45479921
0.10303917 0.70493928 0.98099100
0.71921766 0.62170271 0.45446978
No title
1
14.455290 0.609966 -0.271001
0.586169 11.505301 0.067764
-0.279981 0.146166 14.430662
C H O N
43 30 7 2
Direct configuration= 252
0.75108887 0.54862944 0.38063256
0.77648547 0.42980059 0.39800758
0.82593910 0.36367220 0.33306311
0.76971175 0.59966128 0.29568144
0.81927490 0.53361224 0.23076701
0.85017312 0.41735901 0.25114921
0.00145222 0.36311248 0.20291745
0.06085367 0.28061291 0.15887840
0.15687235 0.28033417 0.17346246
0.03833805 0.44910040 0.25653736
0.13437631 0.44805248 0.26899145
0.19580893 0.36222965 0.23061204
0.30156986 0.36097976 0.24851376
0.33855020 0.43980887 0.17381967
0.36571243 0.55084659 0.19344326
0.39944249 0.62127463 0.12517360
0.34305670 0.40322320 0.08152040
0.37659226 0.47198069 0.01235450
0.40653217 0.58025565 0.03505999
0.52836551 0.68685710 -0.01124834
0.53349962 0.80552433 0.00380701
0.61927407 0.84566109 0.02777709
0.60841438 0.60882339 -0.00555783
0.69386392 0.65008994 0.01701959
0.69942231 0.76817679 0.03538287
0.32293793 0.40305825 0.34725896
0.35017277 0.23617220 0.24451483
0.12135136 0.80251236 0.92705908
0.01011543 0.68038830 -0.02519272
0.96386324 0.77099985 0.90867517
0.87169088 0.78760324 0.87774884
0.84621547 0.88468197 0.81953430
0.72081108 0.83601198 0.72359308
0.63896670 0.78304036 0.73794249
0.60602346 0.70742039 0.67155952
0.65572851 0.68797721 0.59168157
0.64415721 0.60640974 0.51367596
0.77681797 0.70543526 0.49013496
0.73564422 0.74446779 0.57816101
0.76999938 0.81877693 0.64234726
0.91143164 0.96005495 0.79216233
0.00513047 0.93956883 0.82186230
0.02983066 0.84458266 0.88113320
0.84983935 0.27246605 0.34766418
0.76065718 0.38985469 0.46359757
0.74896431 0.69158107 0.28136076
0.83907649 0.57272124 0.16621266
0.20166720 0.21369144 0.13958347
0.03108874 0.21613731 0.11481646
-0.00717968 0.51614282 0.28866124
0.16058423 0.51663592 0.31052636
0.42137001 0.70693305 0.14220813
0.36260598 0.58375971 0.26359419
0.32136307 0.31818264 0.06296529
0.38238707 0.44101908 0.94146495
0.62345026 0.93774048 0.04084374
0.47016500 0.86447916 -0.00143210
0.60341661 0.51652147 0.98154655
0.75609816 0.58891792 0.02055717
0.39816837 0.40376571 0.36060947
0.29661615 0.34361641 0.39818138
0.29112858 0.49093537 0.36082369
0.42409125 0.23674979 0.26416576
0.34634149 0.19799768 0.17581195
0.31908904 0.17811754 0.29294075
0.82089207 0.72905816 0.89859900
0.60361956 0.79851796 0.80273145
0.54437119 0.66274060 0.68410158
0.83377674 0.85956714 0.63164588
0.88774335 0.03390304 0.74646423
0.05726442 0.99542142 0.79898490
0.15259742 0.65537037 0.02024501
0.76595683 0.79988911 0.05485480
0.90628102 0.35389098 0.19022857
0.44286568 0.64606416 0.96555316
0.19641765 0.84180738 0.92142397
0.97616088 0.60219613 0.01602721
0.75291880 0.90838199 0.79130577
0.58543666 0.53802847 0.50101558
0.84663355 0.73491486 0.45496172
0.10321735 0.70484864 0.98131058
0.71934529 0.62151395 0.45448229
No title
1
14.447563 0.619849 -0.286678
0.595039 11.475018 0.073811
-0.295967 0.154044 14.417129
C H O N
43 30 7 2
Direct configuration= 253
0.75099408 0.54822342 0.38077778
0.77664880 0.42908914 0.39790167
0.82595972 0.36291036 0.33287516
0.76946964 0.59949099 0.29561773
0.81895558 0.53330759 0.23063821
0.84989679 0.41698193 0.25100769
0.00112172 0.36238732 0.20313848
0.06064063 0.27986909 0.15899226
0.15694431 0.27966910 0.17341194
0.03795909 0.44817871 0.25713934
0.13430094 0.44718417 0.26951782
0.19598064 0.36168875 0.23058561
0.30169874 0.36042677 0.24863139
0.33853545 0.43957505 0.17371344
0.36657713 0.55024426 0.19367180
0.40029827 0.62106028 0.12536049
0.34243077 0.40314111 0.08138475
0.37603146 0.47236469 0.01192483
0.40625956 0.58049311 0.03499851
0.52782455 0.68749514 -0.01154606
0.53294931 0.80645536 0.00313537
0.61883274 0.84633316 0.02673594
0.60803974 0.60910355 -0.00553497
0.69349089 0.65063711 0.01676514
0.69909993 0.76894383 0.03477236
0.32307990 0.40229288 0.34722732
0.35034850 0.23533439 0.24433806
0.12164915 0.80314946 0.92788001
0.01086341 0.68024359 -0.02520586
0.96437885 0.77121476 0.90893221
0.87209572 0.78774802 0.87744095
0.84625595 0.88565585 0.81956602
0.72092665 0.83656452 0.72331439
0.63836798 0.78390559 0.73748100
0.60581887 0.70806503 0.67146519
0.65587152 0.68802183 0.59169877
0.64416668 0.60641081 0.51365560
0.77710952 0.70513315 0.49039997
0.73614080 0.74417021 0.57833039
0.77023701 0.81874197 0.64252300
0.91110817 0.96166333 0.79284203
0.00500382 0.94118907 0.82238304
0.03010223 0.84560017 0.88161542
0.84991880 0.27108258 0.34742989
0.76086316 0.38848032 0.46370986
0.74865147 0.69170131 0.28109376
0.83872506 0.57274809 0.16618740
0.20190407 0.21315359 0.13944655
0.03124366 0.21530666 0.11464561
-0.00761139 0.51494525 0.28960019
0.16030466 0.51578506 0.31140295
0.42268500 0.70658948 0.14253139
0.36435069 0.58283726 0.26415142
0.32074029 0.31824805 0.06267394
0.38128576 0.44158465 0.94104556
0.62294047 0.93931547 0.03976217
0.46949260 0.86585869 -0.00244952
0.60300041 0.51674913 0.98193771
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0.39838200 0.40282331 0.36089052
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0.42435477 0.23566086 0.26409437
0.34658391 0.19726185 0.17536571
0.31944971 0.17674985 0.29272208
0.82151404 0.72868276 0.89779253
0.60303110 0.80002519 0.80203160
0.54428079 0.66324936 0.68406141
0.83416560 0.85945327 0.63213601
0.88731665 0.03656292 0.74770268
0.05710584 0.99724420 0.79938902
0.15324015 0.65508922 0.02075531
0.76571317 0.80087629 0.05411908
0.90631970 0.35323982 0.19006175
0.44228349 0.64664537 0.96539427
0.19670237 0.84287056 0.92244617
0.97660101 0.60132511 0.01528165
0.75293499 0.90930849 0.79129963
0.58519377 0.53830329 0.50106445
0.84686413 0.73464213 0.45530706
0.10359619 0.70465557 0.98198960
0.71961648 0.62111256 0.45450909
No title
1
14.449703 0.617112 -0.282336
0.592583 11.483405 0.072136
-0.291540 0.151862 14.420877
C H O N
43 30 7 2
Direct configuration= 254
0.75102022 0.54833618 0.38073750
0.77660343 0.42928673 0.39793089
0.82595391 0.36312189 0.33292716
0.76953672 0.59953821 0.29563544
0.81904405 0.53339208 0.23067397
0.84997334 0.41708655 0.25104696
0.00121309 0.36258866 0.20307722
0.06069948 0.28007562 0.15896067
0.15692425 0.27985380 0.17342584
0.03806373 0.44843470 0.25697246
0.13432148 0.44742539 0.26937181
0.19593295 0.36183900 0.23059282
0.30166288 0.36058039 0.24859867
0.33853952 0.43963995 0.17374286
0.36633730 0.55041179 0.19360811
0.40006101 0.62112006 0.12530839
0.34260426 0.40316372 0.08142254
0.37618709 0.47225782 0.01204416
0.40633518 0.58042708 0.03501567
0.52797468 0.68731775 -0.01146328
0.53310222 0.80619653 0.00332185
0.61895552 0.84614620 0.02702479
0.60814361 0.60902566 -0.00554116
0.69359446 0.65048501 0.01683586
0.69918962 0.76873062 0.03494180
0.32304041 0.40250545 0.34723595
0.35029969 0.23556706 0.24438691
0.12156650 0.80297278 0.92765242
0.01065610 0.68028397 -0.02520247
0.96423593 0.77115526 0.90886082
0.87198366 0.78770785 0.87752620
0.84624492 0.88538542 0.81955734
0.72089482 0.83641105 0.72339168
0.63853422 0.78366507 0.73760922
0.60587573 0.70788595 0.67149148
0.65583189 0.68800948 0.59169397
0.64416406 0.60641051 0.51366124
0.77702858 0.70521717 0.49032637
0.73600307 0.74425301 0.57828324
0.77017109 0.81875178 0.64247420
0.91119792 0.96121674 0.79265390
0.00503908 0.94073921 0.82223892
0.03002703 0.84531778 0.88148178
0.84989658 0.27146674 0.34749465
0.76080576 0.38886206 0.46367850
0.74873828 0.69166779 0.28116789
0.83882246 0.57274054 0.16619451
0.20183836 0.21330298 0.13948437
0.03120062 0.21553734 0.11469282
-0.00749230 0.51527791 0.28933987
0.16038168 0.51602146 0.31115992
0.42232041 0.70668529 0.14244133
0.36386683 0.58309398 0.26399629
0.32091298 0.31822966 0.06275491
0.38159121 0.44142722 0.94116223
0.62308241 0.93887774 0.04006236
0.46967954 0.86547521 -0.00216709
0.60311567 0.51668588 0.98182943
0.75594384 0.58927431 0.02050496
0.39832251 0.40308513 0.36081242
0.29668705 0.34283771 0.39809677
0.29120729 0.49058196 0.36067691
0.42428154 0.23596331 0.26411394
0.34651672 0.19746616 0.17548926
0.31934955 0.17712971 0.29278242
0.82134186 0.72878700 0.89801587
0.60319470 0.79960634 0.80222598
0.54430596 0.66310805 0.68407264
0.83405766 0.85948509 0.63200000
0.88743504 0.03582443 0.74735981
0.05715003 0.99673806 0.79927726
0.15306181 0.65516756 0.02061361
0.76578113 0.80060193 0.05432324
0.90630890 0.35342062 0.19010790
0.44244500 0.64648379 0.96543857
0.19662335 0.84257560 0.92216283
0.97647911 0.60156694 0.01548810
0.75293069 0.90905121 0.79130144
0.58526112 0.53822692 0.50105101
0.84680007 0.73471800 0.45521122
0.10349095 0.70470942 0.98180122
0.71954124 0.62122410 0.45450153
No title
1
14.444353 0.620939 -0.289307
0.596070 11.468541 0.075439
-0.298661 0.156134 14.414203
C H O N
43 30 7 2
Direct configuration= 255
0.75097074 0.54819144 0.38080278
0.77662543 0.42888623 0.39797837
0.82599973 0.36273189 0.33285417
0.76942291 0.59941474 0.29561713
0.81894233 0.53326543 0.23060168
0.84976863 0.41685753 0.25100441
0.00108760 0.36215685 0.20310276
0.06072593 0.27970478 0.15902311
0.15678398 0.27959967 0.17339364
0.03795151 0.44789922 0.25719028
0.13419696 0.44695158 0.26954253
0.19596932 0.36158308 0.23058636
0.30173597 0.36040612 0.24862542
0.33849262 0.43949470 0.17376420
0.36681370 0.55020863 0.19368565
0.40040076 0.62093379 0.12547801
0.34241250 0.40330431 0.08125352
0.37591114 0.47234399 0.01197889
0.40630660 0.58053454 0.03488462
0.52774235 0.68756759 -0.01156878
0.53276172 0.80663061 0.00300673
0.61877677 0.84669811 0.02659791
0.60794681 0.60920875 -0.00555914
0.69345657 0.65065053 0.01676119
0.69903584 0.76905188 0.03463702
0.32313947 0.40219493 0.34732459
0.35039749 0.23517590 0.24427399
0.12166847 0.80318705 0.92804308
0.01095991 0.68016813 -0.02522188
0.96440308 0.77130039 0.90894873
0.87223664 0.78775125 0.87738899
0.84634256 0.88576376 0.81960936
0.72083638 0.83662633 0.72334534
0.63846142 0.78416002 0.73739980
0.60572415 0.70813170 0.67141742
0.65595300 0.68804780 0.59174676
0.64428947 0.60636254 0.51357032
0.77708297 0.70493364 0.49039054
0.73612030 0.74409069 0.57830381
0.77037161 0.81877372 0.64262772
0.91109349 0.96203326 0.79289632
0.00496477 0.94142419 0.82250111
0.03015080 0.84578180 0.88172470
0.84989382 0.27093639 0.34733985
0.76089418 0.38831434 0.46371942
0.74857933 0.69175462 0.28109874
0.83865302 0.57279121 0.16613627
0.20188890 0.21305463 0.13945746
0.03128954 0.21520055 0.11467975
-0.00766104 0.51475854 0.28979626
0.16030402 0.51568651 0.31161438
0.42290838 0.70641870 0.14258025
0.36463193 0.58267410 0.26426361
0.32058768 0.31821719 0.06258625
0.38109174 0.44172297 0.94097282
0.62283410 0.93953838 0.03956810
0.46935924 0.86610801 -0.00264364
0.60290581 0.51673928 0.98199880
0.75590175 0.58947621 0.02049640
0.39841774 0.40262862 0.36091388
0.29674582 0.34238581 0.39803364
0.29125559 0.49036807 0.36059484
0.42445401 0.23550369 0.26410890
0.34659115 0.19710805 0.17520532
0.31949532 0.17651362 0.29272200
0.82160618 0.72866068 0.89763348
0.60291568 0.80028196 0.80190784
0.54422295 0.66333871 0.68402389
0.83424156 0.85943568 0.63217058
0.88725008 0.03699868 0.74792886
0.05696518 0.99754478 0.79951960
0.15338167 0.65507522 0.02086143
0.76567445 0.80103889 0.05399292
0.90636241 0.35316998 0.19004419
0.44215554 0.64677716 0.96531867
0.19675865 0.84300771 0.92265207
0.97668296 0.60119355 0.01514738
0.75290120 0.90946879 0.79129440
0.58519726 0.53836222 0.50104808
0.84696739 0.73462799 0.45533738
0.10370650 0.70473927 0.98199792
0.71960027 0.62111826 0.45460192
No title
1
14.439695 0.624272 -0.295375
0.599106 11.455600 0.078315
-0.304861 0.159853 14.408393
C H O N
43 30 7 2
Direct configuration= 256
0.75092770 0.54806526 0.38085964
0.77664472 0.42853708 0.39801981
0.82603970 0.36239193 0.33279071
0.76932382 0.59930715 0.29560115
0.81885373 0.53315507 0.23053869
0.84959040 0.41665798 0.25096732
0.00097843 0.36178047 0.20312504
0.06074910 0.27938149 0.15907759
0.15666186 0.27937820 0.17336560
0.03785401 0.44743241 0.25738006
0.13408870 0.44653853 0.26969127
0.19600106 0.36135998 0.23058081
0.30179968 0.36025417 0.24864879
0.33845182 0.43936809 0.17378279
0.36722869 0.55003135 0.19375343
0.40069677 0.62077125 0.12562593
0.34224538 0.40342698 0.08110619
0.37567076 0.47241922 0.01192191
0.40628162 0.58062827 0.03477045
0.52753990 0.68778548 -0.01166083
0.53246492 0.80700922 0.00273204
0.61862076 0.84717942 0.02622592
0.60777536 0.60936842 -0.00557492
0.69333641 0.65079488 0.01669606
0.69890170 0.76933208 0.03437143
0.32322587 0.40192419 0.34740190
0.35048272 0.23483493 0.24417576
0.12175740 0.80337366 0.92838334
0.01122453 0.68006707 -0.02523864
0.96454865 0.77142682 0.90902535
0.87245690 0.78778905 0.87726958
0.84642751 0.88609350 0.81965463
0.72078541 0.83681403 0.72330492
0.63839780 0.78459157 0.73721726
0.60559204 0.70834601 0.67135280
0.65605848 0.68808114 0.59179279
0.64439866 0.60632071 0.51349119
0.77713045 0.70468643 0.49044651
0.73622244 0.74394914 0.57832181
0.77054631 0.81879272 0.64276150
0.91100244 0.96274497 0.79310725
0.00489999 0.94202123 0.82272929
0.03025858 0.84618616 0.88193623
0.84989149 0.27047413 0.34720513
0.76097135 0.38783684 0.46375521
0.74844084 0.69183038 0.28103842
0.83850541 0.57283546 0.16608546
0.20193296 0.21283813 0.13943409
0.03136706 0.21490694 0.11466848
-0.00780767 0.51430570 0.29019380
0.16023667 0.51539440 0.31201025
0.42342057 0.70618608 0.14270156
0.36529849 0.58230774 0.26449686
0.32030430 0.31820648 0.06243922
0.38065659 0.44198099 0.94080756
0.62261746 0.94011453 0.03913736
0.46907992 0.86665989 -0.00305897
0.60272311 0.51678583 0.98214622
0.75586504 0.58965223 0.02048888
0.39850083 0.40223061 0.36100238
0.29679710 0.34199189 0.39797877
0.29129767 0.49018163 0.36052342
0.42460433 0.23510298 0.26410469
0.34665594 0.19679597 0.17495813
0.31962240 0.17597654 0.29266956
0.82183624 0.72855062 0.89730057
0.60267235 0.80087111 0.80163049
0.54415058 0.66353982 0.68398135
0.83440182 0.85939248 0.63231924
0.88708894 0.03802215 0.74842415
0.05680409 0.99824798 0.79973042
0.15366038 0.65499453 0.02107744
0.76558128 0.80141994 0.05370507
0.90640904 0.35295150 0.18998877
0.44190331 0.64703302 0.96521405
0.19687660 0.84338417 0.92307814
0.97686044 0.60086811 0.01485080
0.75287540 0.90983282 0.79128817
0.58514160 0.53848018 0.50104547
0.84711320 0.73454944 0.45544734
0.10389431 0.70476515 0.98216932
0.71965174 0.62102594 0.45468941
No title
1
14.434200 0.628537 -0.302346
0.602965 11.439851 0.081293
-0.311982 0.163703 14.400472
C H O N
43 30 7 2
Direct configuration= 257
0.75091393 0.54783381 0.38087008
0.77662696 0.42808678 0.39811117
0.82602162 0.36195132 0.33285232
0.76918343 0.59923015 0.29558389
0.81872040 0.53314323 0.23047114
0.84947535 0.41624519 0.25082511
0.00099159 0.36130319 0.20314174
0.06073787 0.27894531 0.15909825
0.15663881 0.27911764 0.17334723
0.03772223 0.44685966 0.25759149
0.13401448 0.44615337 0.26992429
0.19590802 0.36109463 0.23059796
0.30186533 0.36005162 0.24860279
0.33844943 0.43929568 0.17379355
0.36770467 0.54973909 0.19398536
0.40106467 0.62053813 0.12562364
0.34202976 0.40350253 0.08102112
0.37544026 0.47258810 0.01181660
0.40630013 0.58072021 0.03471035
0.52727021 0.68808518 -0.01176211
0.53215481 0.80755350 0.00241548
0.61835123 0.84792048 0.02582090
0.60757826 0.60955853 -0.00561373
0.69322225 0.65089077 0.01665311
0.69874912 0.76975937 0.03404198
0.32335884 0.40163527 0.34753881
0.35061967 0.23432274 0.24402131
0.12198094 0.80371735 0.92872410
0.01139369 0.67989207 -0.02530130
0.96476572 0.77169226 0.90905551
0.87270544 0.78782759 0.87712307
0.84652276 0.88648401 0.81969357
0.72078772 0.83714217 0.72336430
0.63836349 0.78510452 0.73706742
0.60553007 0.70859853 0.67117651
0.65611828 0.68803065 0.59186971
0.64455824 0.60629769 0.51348640
0.77735208 0.70445484 0.49043101
0.73634199 0.74396613 0.57845599
0.77073283 0.81868672 0.64286053
0.91094253 0.96359738 0.79334353
0.00485395 0.94266910 0.82305927
0.03031657 0.84659789 0.88222919
0.84986260 0.27000048 0.34699746
0.76105832 0.38734294 0.46379884
0.74827226 0.69189557 0.28103945
0.83832348 0.57292858 0.16596569
0.20187326 0.21260126 0.13944983
0.03145863 0.21455428 0.11469926
-0.00789646 0.51370740 0.29065814
0.16014134 0.51493952 0.31244368
0.42403323 0.70582650 0.14285822
0.36606966 0.58185031 0.26472290
0.31993262 0.31824202 0.06222999
0.38013204 0.44232054 0.94062885
0.62235038 0.94075957 0.03861491
0.46871783 0.86731333 -0.00356804
0.60248095 0.51676528 0.98230719
0.75588896 0.58979939 0.02050674
0.39863918 0.40173249 0.36109705
0.29685965 0.34154014 0.39794517
0.29134386 0.49000346 0.36047720
0.42481151 0.23466165 0.26411202
0.34669636 0.19644950 0.17466601
0.31977551 0.17539042 0.29259936
0.82208507 0.72844887 0.89689119
0.60239306 0.80157585 0.80129032
0.54396405 0.66375706 0.68389476
0.83465023 0.85937379 0.63244204
0.88687854 0.03925061 0.74897498
0.05651552 0.99909468 0.80005259
0.15399748 0.65496819 0.02132992
0.76544901 0.80183692 0.05335357
0.90625511 0.35272773 0.18994189
0.44159463 0.64735879 0.96502055
0.19691720 0.84368859 0.92364409
0.97710634 0.60046388 0.01452822
0.75281654 0.91021329 0.79126354
0.58512143 0.53857188 0.50096416
0.84717611 0.73437794 0.45560957
0.10425537 0.70481732 0.98233231
0.71966585 0.62088768 0.45475079
No title
1
14.429695 0.632033 -0.308061
0.606129 11.426941 0.083734
-0.317819 0.166859 14.393978
C H O N
43 30 7 2
Direct configuration= 258
0.75090270 0.54764381 0.38087868
0.77661256 0.42771708 0.39818618
0.82600693 0.36158960 0.33290293
0.76906831 0.59916698 0.29556969
0.81861102 0.53313358 0.23041567
0.84938105 0.41590641 0.25070850
0.00100252 0.36091137 0.20315553
0.06072879 0.27858723 0.15911528
0.15661997 0.27890374 0.17333220
0.03761439 0.44638946 0.25776496
0.13395381 0.44583713 0.27011546
0.19583179 0.36087682 0.23061204
0.30191920 0.35988534 0.24856513
0.33844749 0.43923623 0.17380239
0.36809522 0.54949893 0.19417584
0.40136646 0.62034664 0.12562196
0.34185287 0.40356465 0.08095125
0.37525113 0.47272684 0.01173011
0.40631526 0.58079570 0.03466104
0.52704890 0.68833133 -0.01184534
0.53190021 0.80800051 0.00215559
0.61812982 0.84852905 0.02548844
0.60741655 0.60971467 -0.00564567
0.69312858 0.65096954 0.01661782
0.69862374 0.77011030 0.03377162
0.32346803 0.40139800 0.34765121
0.35073206 0.23390228 0.24389477
0.12216432 0.80399931 0.92900364
0.01153245 0.67974837 -0.02535260
0.96494369 0.77191008 0.90908029
0.87290921 0.78785920 0.87700299
0.84660078 0.88680455 0.81972547
0.72078956 0.83741152 0.72341295
0.63833515 0.78552567 0.73694441
0.60547911 0.70880591 0.67103185
0.65616736 0.68798915 0.59193283
0.64468912 0.60627874 0.51348253
0.77753390 0.70426466 0.49041843
0.73644008 0.74398000 0.57856610
0.77088588 0.81859962 0.64294185
0.91089327 0.96429710 0.79353715
0.00481616 0.94320086 0.82332979
0.03036414 0.84693579 0.88246943
0.84983896 0.26961172 0.34682719
0.76112980 0.38693744 0.46383475
0.74813399 0.69194913 0.28104021
0.83817421 0.57300512 0.16586735
0.20182436 0.21240683 0.13946276
0.03153383 0.21426473 0.11472461
-0.00796892 0.51321613 0.29103908
0.16006346 0.51456600 0.31279925
0.42453585 0.70553106 0.14298703
0.36670233 0.58147447 0.26490871
0.31962771 0.31827139 0.06205822
0.37970167 0.44259950 0.94048199
0.62213094 0.94128935 0.03818615
0.46842048 0.86785003 -0.00398586
0.60228242 0.51674844 0.98243913
0.75590855 0.58992018 0.02052137
0.39875281 0.40132349 0.36117485
0.29691105 0.34116927 0.39791772
0.29138177 0.48985719 0.36043933
0.42498154 0.23429928 0.26411819
0.34672948 0.19616515 0.17442648
0.31990121 0.17490923 0.29254194
0.82228900 0.72836538 0.89655552
0.60216367 0.80215459 0.80101106
0.54381098 0.66393548 0.68382363
0.83485402 0.85935833 0.63254287
0.88670589 0.04025900 0.74942648
0.05627877 0.99978976 0.80031657
0.15427406 0.65494638 0.02153716
0.76534027 0.80217938 0.05306513
0.90612892 0.35254410 0.18990342
0.44134129 0.64762638 0.96486165
0.19695067 0.84393831 0.92410827
0.97730798 0.60013206 0.01426380
0.75276814 0.91052566 0.79124324
0.58510483 0.53864719 0.50089745
0.84722782 0.73423709 0.45574269
0.10455153 0.70485998 0.98246614
0.71967747 0.62077415 0.45480117
No title
1
14.426651 0.637092 -0.314504
0.610594 11.413987 0.086386
-0.324415 0.170286 14.387229
C H O N
43 30 7 2
Direct configuration= 259
0.75088967 0.54735865 0.38087509
0.77659210 0.42736088 0.39822929
0.82593597 0.36127190 0.33294648
0.76893680 0.59914149 0.29555396
0.81849658 0.53307581 0.23035610
0.84927663 0.41559257 0.25061458
0.00098640 0.36051185 0.20319175
0.06071743 0.27819262 0.15910878
0.15666823 0.27865657 0.17332884
0.03753413 0.44595251 0.25799839
0.13388734 0.44557630 0.27036943
0.19576031 0.36066493 0.23066723
0.30194713 0.35962847 0.24850713
0.33849028 0.43920430 0.17381698
0.36851007 0.54920078 0.19434117
0.40170057 0.62013338 0.12561872
0.34163710 0.40355550 0.08091279
0.37506631 0.47290107 0.01161007
0.40633792 0.58084786 0.03462084
0.52680789 0.68869066 -0.01195586
0.53167098 0.80855446 0.00188230
0.61787070 0.84903480 0.02512903
0.60725164 0.60981187 -0.00567751
0.69303078 0.65113414 0.01659429
0.69841886 0.77054969 0.03346600
0.32357548 0.40112742 0.34771196
0.35088055 0.23341506 0.24376025
0.12219237 0.80424586 0.92928864
0.01174439 0.67968372 -0.02546495
0.96513600 0.77209350 0.90911424
0.87306717 0.78795710 0.87683814
0.84663895 0.88720424 0.81971831
0.72087611 0.83773606 0.72346020
0.63825620 0.78591650 0.73682637
0.60542918 0.70903024 0.67091558
0.65623785 0.68790829 0.59194002
0.64474746 0.60623850 0.51356676
0.77759346 0.70411990 0.49057661
0.73655472 0.74399845 0.57865987
0.77106736 0.81853658 0.64305423
0.91084180 0.96498223 0.79377723
0.00476263 0.94374923 0.82365898
0.03044534 0.84733022 0.88272390
0.84982121 0.26913083 0.34664740
0.76118907 0.38651577 0.46392946
0.74797655 0.69200246 0.28109268
0.83800346 0.57311179 0.16573552
0.20173761 0.21215903 0.13947640
0.03157810 0.21386515 0.11472592
-0.00799443 0.51261807 0.29142995
0.15996420 0.51408621 0.31315562
0.42509390 0.70518585 0.14313291
0.36737929 0.58107854 0.26512337
0.31927529 0.31836905 0.06186001
0.37923097 0.44291218 0.94031882
0.62189190 0.94197751 0.03772756
0.46807685 0.86842469 -0.00444634
0.60205210 0.51671125 0.98257307
0.75596535 0.58999493 0.02055521
0.39893049 0.40087322 0.36126927
0.29696301 0.34076537 0.39793635
0.29142642 0.48974411 0.36044250
0.42515333 0.23391649 0.26411181
0.34675070 0.19587528 0.17419672
0.32004938 0.17442898 0.29245121
0.82249315 0.72826984 0.89619225
0.60192002 0.80279478 0.80072080
0.54363640 0.66416335 0.68370376
0.83508350 0.85933463 0.63262359
0.88650147 0.04137709 0.74987028
0.05601656 0.00058973 0.80064852
0.15460843 0.65494753 0.02177485
0.76522263 0.80253763 0.05274714
0.90592846 0.35227129 0.18981236
0.44107902 0.64792181 0.96467694
0.19719331 0.84428890 0.92461610
0.97752265 0.59968043 0.01403489
0.75275397 0.91086786 0.79125700
0.58513750 0.53869651 0.50076979
0.84742417 0.73409113 0.45578192
0.10481025 0.70485342 0.98258701
0.71973123 0.62061320 0.45476231
No title
1
14.423468 0.642381 -0.321242
0.615263 11.400442 0.089160
-0.331313 0.173870 14.380172
C H O N
43 30 7 2
Direct configuration= 260
0.75087614 0.54706012 0.38087139
0.77657086 0.42698795 0.39827445
0.82586190 0.36093931 0.33299208
0.76879926 0.59911486 0.29553745
0.81837687 0.53301541 0.23029373
0.84916748 0.41526409 0.25051633
0.00096971 0.36009357 0.20322972
0.06070570 0.27777951 0.15910207
0.15671880 0.27839777 0.17332540
0.03745047 0.44549503 0.25824265
0.13381804 0.44530317 0.27063515
0.19568566 0.36044312 0.23072498
0.30197641 0.35935956 0.24844652
0.33853505 0.43917084 0.17383227
0.36894417 0.54888838 0.19451439
0.40205012 0.61990996 0.12561552
0.34141139 0.40354605 0.08087245
0.37487287 0.47308360 0.01148435
0.40636159 0.58090248 0.03457878
0.52655562 0.68906701 -0.01207168
0.53143087 0.80913461 0.00159615
0.61759931 0.84956453 0.02475278
0.60707911 0.60991372 -0.00571092
0.69292841 0.65130651 0.01656958
0.69820425 0.77100990 0.03314607
0.32368800 0.40084408 0.34777563
0.35103599 0.23290495 0.24361968
0.12222176 0.80450387 0.92958678
0.01196604 0.67961597 -0.02558238
0.96533709 0.77228542 0.90914982
0.87323227 0.78805958 0.87666573
0.84667872 0.88762266 0.81971076
0.72096654 0.83807576 0.72350961
0.63817341 0.78632575 0.73670276
0.60537681 0.70926515 0.67079388
0.65631162 0.68782360 0.59194759
0.64480855 0.60619631 0.51365492
0.77765588 0.70396828 0.49074217
0.73667467 0.74401768 0.57875802
0.77125727 0.81847046 0.64317189
0.91078783 0.96569946 0.79402823
0.00470660 0.94432323 0.82400324
0.03053026 0.84774304 0.88299009
0.84980274 0.26862744 0.34645939
0.76125128 0.38607425 0.46402866
0.74781188 0.69205835 0.28114749
0.83782475 0.57322359 0.16559749
0.20164698 0.21189965 0.13949067
0.03162455 0.21344679 0.11472740
-0.00802069 0.51199183 0.29183900
0.15986075 0.51358383 0.31352850
0.42567780 0.70482413 0.14328588
0.36808761 0.58066363 0.26534835
0.31890654 0.31847153 0.06165244
0.37873843 0.44323981 0.94014781
0.62164139 0.94269822 0.03724752
0.46771698 0.86902664 -0.00492837
0.60181128 0.51667238 0.98271309
0.75602474 0.59007316 0.02059062
0.39911655 0.40040171 0.36136823
0.29701753 0.34034249 0.39795595
0.29147316 0.48962571 0.36044587
0.42533316 0.23351567 0.26410529
0.34677289 0.19557187 0.17395642
0.32020449 0.17392616 0.29235645
0.82270654 0.72816985 0.89581231
0.60166479 0.80346522 0.80041687
0.54345366 0.66440204 0.68357822
0.83532358 0.85930968 0.63270816
0.88628746 0.04254758 0.75033426
0.05574216 0.00142725 0.80099553
0.15495828 0.65494848 0.02202368
0.76509929 0.80291285 0.05241432
0.90571885 0.35198582 0.18971706
0.44080449 0.64823128 0.96448351
0.19744722 0.84465564 0.92514743
0.97774725 0.59920758 0.01379560
0.75273902 0.91122613 0.79127133
0.58517158 0.53874818 0.50063623
0.84762963 0.73393821 0.45582307
0.10508092 0.70484640 0.98271358
0.71978749 0.62044470 0.45472172
No title
1
14.419503 0.648673 -0.328421
0.620749 11.386187 0.093297
-0.338713 0.179171 14.372390
C H O N
43 30 7 2
Direct configuration= 261
0.75083757 0.54677072 0.38083459
0.77654171 0.42657263 0.39831706
0.82577395 0.36058801 0.33291109
0.76867434 0.59902427 0.29551578
0.81824588 0.53288879 0.23019504
0.84897885 0.41506926 0.25051894
0.00081850 0.35966910 0.20330257
0.06073472 0.27736361 0.15909988
0.15671574 0.27813122 0.17335627
0.03743651 0.44502965 0.25855007
0.13369863 0.44495909 0.27091255
0.19570413 0.36022552 0.23083666
0.30198673 0.35898305 0.24840637
0.33859722 0.43901109 0.17385995
0.36944898 0.54861176 0.19457039
0.40244739 0.61964760 0.12575266
0.34119247 0.40361180 0.08077108
0.37461234 0.47318114 0.01140065
0.40638609 0.58095811 0.03446630
0.52632333 0.68955015 -0.01225424
0.53111054 0.80978456 0.00124651
0.61733285 0.85010229 0.02434990
0.60689484 0.61003745 -0.00571524
0.69279605 0.65158058 0.01652934
0.69794456 0.77149503 0.03279616
0.32379860 0.40047543 0.34776083
0.35122233 0.23238364 0.24349093
0.12247176 0.80488320 0.92992246
0.01225302 0.67937383 -0.02561872
0.96547221 0.77239943 0.90917986
0.87337214 0.78825490 0.87644890
0.84667799 0.88815582 0.81966994
0.72106797 0.83837888 0.72350405
0.63808450 0.78673817 0.73653726
0.60527889 0.70949989 0.67074364
0.65644602 0.68779052 0.59193663
0.64482089 0.60609523 0.51373912
0.77783130 0.70392060 0.49089802
0.73676764 0.74392140 0.57880993
0.77152829 0.81853319 0.64336974
0.91066696 0.96647317 0.79432016
0.00462621 0.94503092 0.82439120
0.03067713 0.84823028 0.88327741
0.84978714 0.26797908 0.34627764
0.76130039 0.38559945 0.46419875
0.74760539 0.69216492 0.28126412
0.83760175 0.57334399 0.16545985
0.20158428 0.21148620 0.13946437
0.03161511 0.21282861 0.11466407
-0.00804355 0.51126544 0.29229690
0.15975514 0.51302685 0.31397058
0.42635992 0.70441969 0.14346238
0.36888044 0.58021429 0.26562441
0.31844889 0.31863055 0.06141110
0.37818077 0.44360713 0.93991938
0.62135347 0.94359346 0.03670284
0.46731029 0.86969268 -0.00547184
0.60152770 0.51662273 0.98286029
0.75607159 0.59015029 0.02065001
0.39935945 0.39987056 0.36149313
0.29708688 0.33988623 0.39802782
0.29155163 0.48951231 0.36050112
0.42550196 0.23305801 0.26406313
0.34679535 0.19523567 0.17372939
0.32039865 0.17338691 0.29221001
0.82293494 0.72804729 0.89538680
0.60137136 0.80424460 0.80011949
0.54330374 0.66476377 0.68337155
0.83556642 0.85923864 0.63277849
0.88605215 0.04382887 0.75083278
0.05546377 0.00243821 0.80144711
0.15538243 0.65498383 0.02230808
0.76493216 0.80333278 0.05202387
0.90554440 0.35152673 0.18953937
0.44053531 0.64858832 0.96431019
0.19763875 0.84502262 0.92575644
0.97809810 0.59880485 0.01347374
0.75277243 0.91168871 0.79134273
0.58521232 0.53871936 0.50044490
0.84777236 0.73367605 0.45589626
0.10524040 0.70474942 0.98282676
0.71989491 0.62030801 0.45470741
No title
1
14.415837 0.654491 -0.335059
0.625823 11.373005 0.097122
-0.345555 0.184073 14.365195
C H O N
43 30 7 2
Direct configuration= 262
0.75080201 0.54650282 0.38080061
0.77651495 0.42618809 0.39835658
0.82569270 0.36026284 0.33283622
0.76855882 0.59894048 0.29549569
0.81812472 0.53277168 0.23010370
0.84880446 0.41488897 0.25052133
0.00067885 0.35927614 0.20337001
0.06076174 0.27697854 0.15909798
0.15671303 0.27788442 0.17338490
0.03742396 0.44459865 0.25883461
0.13358847 0.44464046 0.27116924
0.19572137 0.36002400 0.23094005
0.30199641 0.35863448 0.24836934
0.33865480 0.43886315 0.17388563
0.36991604 0.54835535 0.19462252
0.40281502 0.61940442 0.12587979
0.34098990 0.40367283 0.08067718
0.37437129 0.47327162 0.01132307
0.40640868 0.58100966 0.03436224
0.52610817 0.68999767 -0.01242340
0.53081380 0.81038666 0.00092271
0.61708596 0.85060050 0.02397688
0.60672434 0.61015210 -0.00571935
0.69267348 0.65183441 0.01649196
0.69770398 0.77194449 0.03247217
0.32390103 0.40013406 0.34774729
0.35139483 0.23190095 0.24337206
0.12270301 0.80523411 0.93023304
0.01251854 0.67914951 -0.02565213
0.96559716 0.77250491 0.90920768
0.87350132 0.78843576 0.87624830
0.84667708 0.88864946 0.81963203
0.72116166 0.83865948 0.72349887
0.63800202 0.78712014 0.73638398
0.60518820 0.70971730 0.67069705
0.65657034 0.68775981 0.59192657
0.64483239 0.60600159 0.51381706
0.77799365 0.70387630 0.49104230
0.73685369 0.74383218 0.57885802
0.77177905 0.81859103 0.64355289
0.91055499 0.96718945 0.79458998
0.00455175 0.94568599 0.82474990
0.03081292 0.84868118 0.88354316
0.84977288 0.26737888 0.34610967
0.76134609 0.38515976 0.46435626
0.74741441 0.69226364 0.28137190
0.83739537 0.57345566 0.16533237
0.20152644 0.21110346 0.13944013
0.03160660 0.21225630 0.11460566
-0.00806416 0.51059271 0.29272075
0.15965791 0.51251102 0.31437969
0.42699110 0.70404480 0.14362611
0.36961409 0.57979771 0.26588031
0.31802540 0.31877813 0.06118756
0.37766470 0.44394763 0.93970767
0.62108651 0.94442273 0.03619852
0.46693357 0.87030980 -0.00597503
0.60126549 0.51657685 0.98299636
0.75611491 0.59022165 0.02070495
0.39958440 0.39937859 0.36160896
0.29715125 0.33946373 0.39809447
0.29162429 0.48940724 0.36055231
0.42565825 0.23263422 0.26402433
0.34681615 0.19492449 0.17351945
0.32057838 0.17288761 0.29207476
0.82314604 0.72793389 0.89499328
0.60109949 0.80496648 0.79984400
0.54316481 0.66509886 0.68318017
0.83579110 0.85917269 0.63284368
0.88583424 0.04501504 0.75129352
0.05520609 0.00337415 0.80186449
0.15577487 0.65501619 0.02257138
0.76477720 0.80372185 0.05166243
0.90538313 0.35110186 0.18937502
0.44028609 0.64891911 0.96414962
0.19781606 0.84536199 0.92631986
0.97842262 0.59843195 0.01317624
0.75280318 0.91211694 0.79140868
0.58524992 0.53869275 0.50026791
0.84790453 0.73343321 0.45596410
0.10538800 0.70465949 0.98293158
0.71999431 0.62018140 0.45469425
No title
1
14.412240 0.660163 -0.340976
0.630701 11.361406 0.100258
-0.351643 0.188095 14.357952
C H O N
43 30 7 2
Direct configuration= 263
0.75073453 0.54641897 0.38080273
0.77648917 0.42577565 0.39840313
0.82562745 0.35977737 0.33272651
0.76849958 0.59880797 0.29541928
0.81797069 0.53277637 0.22997180
0.84868305 0.41477561 0.25047725
0.00049748 0.35895730 0.20345384
0.06066071 0.27667979 0.15908473
0.15669850 0.27766389 0.17345039
0.03732558 0.44410967 0.25902058
0.13359427 0.44420589 0.27135862
0.19579760 0.35979949 0.23102434
0.30204826 0.35832679 0.24839974
0.33871556 0.43857450 0.17386189
0.37029237 0.54811628 0.19473525
0.40322011 0.61923997 0.12594530
0.34081386 0.40376338 0.08059171
0.37414203 0.47333871 0.01120977
0.40639418 0.58106716 0.03429169
0.52599130 0.69033498 -0.01264753
0.53048091 0.81085265 0.00057250
0.61685976 0.85130674 0.02367168
0.60658086 0.61037599 -0.00567088
0.69255169 0.65199152 0.01640898
0.69758535 0.77223912 0.03222737
0.32401129 0.39978098 0.34773731
0.35150559 0.23158278 0.24328977
0.12294801 0.80551541 0.93054443
0.01281279 0.67899109 -0.02570165
0.96569129 0.77257796 0.90917481
0.87360638 0.78859734 0.87610597
0.84666168 0.88913718 0.81961949
0.72118986 0.83882532 0.72347287
0.63795302 0.78745550 0.73625767
0.60518773 0.70990884 0.67065769
0.65661187 0.68781704 0.59202531
0.64493816 0.60590043 0.51370987
0.77816905 0.70377643 0.49102020
0.73702140 0.74381121 0.57900186
0.77192178 0.81861484 0.64362547
0.91036411 0.96792972 0.79478311
0.00446475 0.94640912 0.82505774
0.03091273 0.84903220 0.88378578
0.84973813 0.26684484 0.34598039
0.76137807 0.38480322 0.46451204
0.74722670 0.69237972 0.28152514
0.83717946 0.57350945 0.16527336
0.20153221 0.21064289 0.13938160
0.03158003 0.21166388 0.11453835
-0.00813298 0.51004900 0.29314770
0.15959159 0.51211903 0.31481440
0.42760524 0.70374789 0.14379281
0.37028168 0.57939896 0.26603516
0.31758439 0.31896507 0.06098543
0.37718418 0.44424529 0.93949221
0.62083446 0.94509021 0.03571040
0.46659004 0.87087866 -0.00642694
0.60102493 0.51658839 0.98311809
0.75603197 0.59037894 0.02077281
0.39974145 0.39893396 0.36171062
0.29724426 0.33914699 0.39817686
0.29176402 0.48922960 0.36063095
0.42578436 0.23222928 0.26394161
0.34685043 0.19464156 0.17339309
0.32076241 0.17241409 0.29192530
0.82333918 0.72784960 0.89462652
0.60086743 0.80565111 0.79962949
0.54307752 0.66549997 0.68294299
0.83600707 0.85909026 0.63288284
0.88566759 0.04596477 0.75172388
0.05503150 0.00432364 0.80232101
0.15607182 0.65512444 0.02276438
0.76457086 0.80408431 0.05130426
0.90529480 0.35067519 0.18927384
0.44012417 0.64922780 0.96408866
0.19799025 0.84568257 0.92684509
0.97874780 0.59799560 0.01296928
0.75275575 0.91257455 0.79143609
0.58520759 0.53850983 0.50009829
0.84799819 0.73318176 0.45606557
0.10561006 0.70447550 0.98306098
0.72008140 0.62017110 0.45483415
No title
1
14.408375 0.666259 -0.347334
0.635944 11.348941 0.103628
-0.358186 0.192417 14.350168
C H O N
43 30 7 2
Direct configuration= 264
0.75066204 0.54632881 0.38080500
0.77646166 0.42533195 0.39845327
0.82555746 0.35925518 0.33260863
0.76843592 0.59866549 0.29533713
0.81780504 0.53278157 0.22982992
0.84855257 0.41465374 0.25042982
0.00030269 0.35861435 0.20354396
0.06055223 0.27635846 0.15907050
0.15668300 0.27742662 0.17352086
0.03722012 0.44358359 0.25922062
0.13360077 0.44373830 0.27156236
0.19587968 0.35955789 0.23111507
0.30210414 0.35799575 0.24843253
0.33878098 0.43826394 0.17383647
0.37069707 0.54785883 0.19485670
0.40365567 0.61906280 0.12601597
0.34062453 0.40386092 0.08049972
0.37389550 0.47341107 0.01108784
0.40637853 0.58112906 0.03421582
0.52586540 0.69069801 -0.01288867
0.53012269 0.81135430 0.00019568
0.61661615 0.85206677 0.02334324
0.60642655 0.61061691 -0.00561889
0.69242067 0.65216065 0.01631966
0.69745757 0.77255625 0.03196402
0.32412996 0.39940108 0.34772672
0.35162475 0.23124048 0.24320142
0.12321142 0.80581776 0.93087929
0.01312914 0.67882051 -0.02575472
0.96579244 0.77265652 0.90913950
0.87371917 0.78877117 0.87595295
0.84664492 0.88966188 0.81960587
0.72122010 0.83900373 0.72344490
0.63790014 0.78781637 0.73612175
0.60518712 0.71011491 0.67061531
0.65665653 0.68787854 0.59213148
0.64505185 0.60579159 0.51359470
0.77835764 0.70366891 0.49099655
0.73720175 0.74378849 0.57915660
0.77207525 0.81864034 0.64370356
0.91015870 0.96872612 0.79499049
0.00437109 0.94718699 0.82538850
0.03101999 0.84940966 0.88404660
0.84970092 0.26627040 0.34584151
0.76141266 0.38441958 0.46467965
0.74702494 0.69250464 0.28168979
0.83694731 0.57356746 0.16520980
0.20153857 0.21014744 0.13931879
0.03155168 0.21102660 0.11446611
-0.00820651 0.50946394 0.29360687
0.15952068 0.51169719 0.31528189
0.42826563 0.70342807 0.14397240
0.37099955 0.57896954 0.26620206
0.31711013 0.31916651 0.06076785
0.37666740 0.44456587 0.93926025
0.62056299 0.94580864 0.03518527
0.46622030 0.87149103 -0.00691315
0.60076638 0.51660089 0.98324886
0.75594278 0.59054817 0.02084570
0.39991051 0.39845550 0.36182011
0.29734442 0.33880616 0.39826558
0.29191434 0.48903839 0.36071563
0.42592005 0.23179360 0.26385283
0.34688733 0.19433721 0.17325732
0.32096036 0.17190463 0.29176479
0.82354667 0.72775898 0.89423228
0.60061759 0.80638786 0.79939856
0.54298341 0.66593164 0.68268783
0.83623928 0.85900144 0.63292507
0.88548827 0.04698639 0.75218629
0.05484365 0.00534501 0.80281157
0.15639108 0.65524065 0.02297201
0.76434872 0.80447451 0.05091895
0.90519997 0.35021626 0.18916511
0.43994994 0.64956000 0.96402297
0.19817762 0.84602712 0.92740983
0.97909745 0.59752607 0.01274700
0.75270459 0.91306686 0.79146543
0.58516208 0.53831315 0.49991595
0.84809902 0.73291115 0.45617477
0.10584890 0.70427739 0.98320026
0.72017508 0.62015992 0.45498461
No title
1
14.405014 0.670673 -0.352206
0.639745 11.339038 0.105697
-0.363166 0.195080 14.344066
C H O N
43 30 7 2
Direct configuration= 265
0.75062977 0.54621509 0.38084361
0.77644001 0.42503684 0.39845932
0.82546701 0.35888223 0.33253878
0.76834654 0.59866604 0.29530066
0.81767675 0.53277181 0.22972403
0.84849570 0.41447977 0.25033076
0.00017717 0.35832006 0.20357839
0.06044229 0.27609427 0.15903998
0.15666272 0.27715207 0.17353014
0.03712014 0.44318495 0.25936984
0.13362012 0.44339959 0.27173885
0.19594798 0.35930913 0.23115097
0.30218142 0.35777680 0.24846077
0.33886067 0.43809849 0.17384306
0.37096740 0.54758625 0.19492925
0.40399265 0.61890990 0.12605721
0.34046113 0.40386470 0.08041578
0.37372901 0.47354600 0.01095399
0.40636115 0.58117461 0.03418198
0.52575565 0.69094994 -0.01308197
0.52994132 0.81176753 -0.00008934
0.61641936 0.85251764 0.02307909
0.60631876 0.61075082 -0.00558406
0.69231970 0.65229674 0.01624021
0.69729160 0.77283084 0.03177766
0.32423965 0.39912857 0.34777384
0.35169113 0.23100764 0.24314322
0.12330164 0.80595022 0.93115217
0.01334601 0.67865718 -0.02579001
0.96594039 0.77272622 0.90909769
0.87379704 0.78888817 0.87585801
0.84660875 0.89005021 0.81962749
0.72121710 0.83914786 0.72346090
0.63786568 0.78811384 0.73608129
0.60522016 0.71027797 0.67057885
0.65671015 0.68791412 0.59216239
0.64505547 0.60566285 0.51348940
0.77836220 0.70355156 0.49107497
0.73734642 0.74373996 0.57926038
0.77217339 0.81866915 0.64372763
0.91004720 0.96932899 0.79516612
0.00428090 0.94778032 0.82565584
0.03106075 0.84971768 0.88420233
0.84967186 0.26580977 0.34574850
0.76143704 0.38414881 0.46479808
0.74688337 0.69256747 0.28183007
0.83677118 0.57361258 0.16514891
0.20153463 0.20978918 0.13928835
0.03154445 0.21058069 0.11444449
-0.00827957 0.50905070 0.29396410
0.15945983 0.51137570 0.31563295
0.42878832 0.70323138 0.14411624
0.37153450 0.57864079 0.26630215
0.31672730 0.31935099 0.06060825
0.37627144 0.44479199 0.93907499
0.62035942 0.94637757 0.03478849
0.46592798 0.87195308 -0.00727639
0.60058050 0.51670561 0.98335752
0.75582494 0.59069996 0.02090655
0.40000052 0.39809538 0.36189507
0.29744185 0.33858451 0.39833734
0.29207542 0.48882513 0.36078234
0.42602574 0.23145765 0.26376365
0.34692464 0.19411692 0.17318858
0.32111587 0.17149705 0.29164515
0.82369901 0.72770543 0.89393281
0.60045694 0.80694683 0.79922387
0.54291268 0.66629113 0.68247495
0.83640590 0.85892187 0.63295571
0.88534358 0.04773671 0.75250222
0.05473563 0.00616611 0.80322110
0.15664289 0.65528960 0.02315328
0.76419789 0.80478296 0.05062799
0.90509684 0.34993207 0.18915674
0.43984179 0.64978988 0.96400165
0.19837964 0.84631946 0.92784010
0.97939010 0.59715637 0.01260028
0.75258914 0.91343896 0.79141339
0.58522096 0.53821796 0.49979185
0.84830520 0.73274963 0.45619031
0.10607457 0.70421484 0.98325300
0.72024227 0.62010472 0.45506103
No title
1
14.399088 0.678458 -0.360796
0.646449 11.321577 0.109346
-0.371947 0.199777 14.333306
C H O N
43 30 7 2
Direct configuration= 266
0.75057294 0.54601438 0.38091174
0.77640200 0.42451598 0.39847006
0.82530761 0.35822407 0.33241560
0.76818888 0.59866711 0.29523627
0.81745038 0.53275473 0.22953714
0.84839543 0.41417279 0.25015601
-0.00004405 0.35780073 0.20363913
0.06024850 0.27562806 0.15898613
0.15662710 0.27666751 0.17354658
0.03694411 0.44248135 0.25963314
0.13365456 0.44280169 0.27205031
0.19606860 0.35887002 0.23121441
0.30231787 0.35739028 0.24851071
0.33900134 0.43780640 0.17385480
0.37144442 0.54710492 0.19505749
0.40458713 0.61863978 0.12613021
0.34017286 0.40387154 0.08026760
0.37343519 0.47378434 0.01071771
0.40633043 0.58125504 0.03412224
0.52556179 0.69139476 -0.01342312
0.52962100 0.81249715 -0.00059239
0.61607183 0.85331369 0.02261284
0.60612857 0.61098722 -0.00552272
0.69214149 0.65253705 0.01609996
0.69699857 0.77331570 0.03144871
0.32443330 0.39864750 0.34785712
0.35180830 0.23059668 0.24304066
0.12346088 0.80618382 0.93163361
0.01372861 0.67836876 -0.02585208
0.96620130 0.77284917 0.90902402
0.87393427 0.78909466 0.87569054
0.84654476 0.89073561 0.81966549
0.72121175 0.83940226 0.72348910
0.63780472 0.78863892 0.73600980
0.60527833 0.71056576 0.67051450
0.65680474 0.68797687 0.59221695
0.64506184 0.60543566 0.51330369
0.77837037 0.70334440 0.49121334
0.73760168 0.74365414 0.57944356
0.77234650 0.81871992 0.64377013
0.90985031 0.97039306 0.79547572
0.00412167 0.94882747 0.82612725
0.03113259 0.85026123 0.88447700
0.84962079 0.26499684 0.34558452
0.76148026 0.38367082 0.46500711
0.74663373 0.69267839 0.28207745
0.83646046 0.57369236 0.16504137
0.20152785 0.20915687 0.13923473
0.03153192 0.20979369 0.11440645
-0.00840798 0.50832123 0.29459437
0.15935291 0.51080817 0.31625233
0.42971046 0.70288379 0.14437038
0.37247833 0.57806013 0.26647914
0.31605182 0.31967695 0.06032639
0.37557279 0.44519146 0.93874786
0.61999978 0.94738206 0.03408820
0.46541187 0.87276897 -0.00791750
0.60025265 0.51689053 0.98354907
0.75561704 0.59096793 0.02101379
0.40015954 0.39745968 0.36202745
0.29761387 0.33819321 0.39846405
0.29235971 0.48844860 0.36090018
0.42621230 0.23086467 0.26360648
0.34699053 0.19372811 0.17306740
0.32139031 0.17077761 0.29143429
0.82396756 0.72761094 0.89340461
0.60017316 0.80793361 0.79891542
0.54278761 0.66692577 0.68209926
0.83669986 0.85878130 0.63300989
0.88508818 0.04906097 0.75305927
0.05454492 0.00761521 0.80394329
0.15708712 0.65537571 0.02347320
0.76393148 0.80532760 0.05011450
0.90491510 0.34943055 0.18914199
0.43965087 0.65019572 0.96396390
0.19873610 0.84683507 0.92859921
0.97990642 0.59650372 0.01234173
0.75238526 0.91409582 0.79132141
0.58532478 0.53804997 0.49957297
0.84866897 0.73246440 0.45621789
0.10647270 0.70410425 0.98334619
0.72036086 0.62000721 0.45519590
No title
1
14.393240 0.682998 -0.366223
0.650376 11.308824 0.111740
-0.377478 0.202846 14.325374
C H O N
43 30 7 2
Direct configuration= 267
0.75061260 0.54578496 0.38093363
0.77636099 0.42422574 0.39846324
0.82514829 0.35790532 0.33232974
0.76802268 0.59872741 0.29529524
0.81728725 0.53265646 0.22948378
0.84829262 0.41384113 0.25003948
-0.00013468 0.35738243 0.20362608
0.06018730 0.27521856 0.15892531
0.15656055 0.27619286 0.17347622
0.03688651 0.44207536 0.25987439
0.13359812 0.44243898 0.27229631
0.19610663 0.35848273 0.23120541
0.30243919 0.35718158 0.24852425
0.33911120 0.43769449 0.17388701
0.37179193 0.54676663 0.19506420
0.40496369 0.61839787 0.12624496
0.33998444 0.40389585 0.08011401
0.37320955 0.47397118 0.01055832
0.40635191 0.58135414 0.03409524
0.52539284 0.69172596 -0.01362112
0.52947138 0.81304507 -0.00095488
0.61583502 0.85368562 0.02225780
0.60599224 0.61109840 -0.00551995
0.69197806 0.65281303 0.01601034
0.69670619 0.77372196 0.03122568
0.32458905 0.39833967 0.34798834
0.35190007 0.23027324 0.24299119
0.12366111 0.80641625 0.93193607
0.01395709 0.67812606 -0.02590852
0.96642148 0.77292882 0.90896457
0.87406101 0.78925554 0.87558206
0.84644779 0.89118209 0.81973729
0.72121411 0.83964187 0.72352627
0.63776361 0.78901235 0.73602045
0.60534069 0.71079430 0.67045405
0.65690353 0.68793791 0.59213096
0.64505623 0.60544184 0.51331289
0.77857083 0.70330380 0.49130208
0.73772039 0.74347720 0.57947702
0.77246069 0.81881047 0.64383895
0.90978154 0.97107168 0.79575509
0.00404793 0.94956476 0.82647973
0.03116753 0.85066748 0.88462345
0.84958240 0.26438670 0.34548662
0.76151932 0.38336717 0.46510008
0.74646915 0.69277431 0.28224096
0.83625909 0.57378450 0.16489711
0.20149251 0.20876455 0.13923038
0.03154045 0.20932790 0.11443426
-0.00850237 0.50781540 0.29502119
0.15925727 0.51036844 0.31664991
0.43037242 0.70266712 0.14454750
0.37311590 0.57764602 0.26658705
0.31553533 0.31987494 0.06012282
0.37508195 0.44545118 0.93849756
0.61975427 0.94809663 0.03360493
0.46507251 0.87330191 -0.00835366
0.60004633 0.51710343 0.98369730
0.75546900 0.59112150 0.02109473
0.40026404 0.39701399 0.36211850
0.29775510 0.33793342 0.39857408
0.29260260 0.48814412 0.36098190
0.42635536 0.23044396 0.26347460
0.34704353 0.19347463 0.17300264
0.32158092 0.17023797 0.29131137
0.82413270 0.72754637 0.89304743
0.60000762 0.80862141 0.79872247
0.54268062 0.66739034 0.68182820
0.83687571 0.85867108 0.63305561
0.88487273 0.05001181 0.75336448
0.05442348 0.00864725 0.80451211
0.15744069 0.65534424 0.02375001
0.76378305 0.80572694 0.04976690
0.90474341 0.34915634 0.18919030
0.43950881 0.65043096 0.96393411
0.19880096 0.84710380 0.92914228
0.98031539 0.59606170 0.01217899
0.75219311 0.91455399 0.79116951
0.58542532 0.53789566 0.49940519
0.84876588 0.73219592 0.45630644
0.10676573 0.70413706 0.98334819
0.72042284 0.61979836 0.45516643
No title
1
14.387111 0.687756 -0.371910
0.654491 11.295461 0.114249
-0.383275 0.206063 14.317061
C H O N
43 30 7 2
Direct configuration= 268
0.75065427 0.54554423 0.38095665
0.77631809 0.42392125 0.39845613
0.82498132 0.35757100 0.33223972
0.76784844 0.59879074 0.29535699
0.81711622 0.53255344 0.22942777
0.84818490 0.41349324 0.24991732
-0.00022956 0.35694360 0.20361245
0.06012325 0.27478897 0.15886159
0.15649091 0.27569492 0.17340252
0.03682636 0.44164935 0.26012742
0.13353918 0.44205839 0.27255431
0.19614664 0.35807638 0.23119606
0.30256645 0.35696255 0.24853854
0.33922644 0.43757702 0.17392086
0.37215638 0.54641154 0.19507143
0.40535861 0.61814385 0.12636549
0.33978683 0.40392149 0.07995288
0.37297285 0.47416737 0.01039106
0.40637438 0.58145811 0.03406693
0.52521551 0.69207359 -0.01382887
0.52931416 0.81362011 -0.00133515
0.61558646 0.85407606 0.02188534
0.60584928 0.61121511 -0.00551714
0.69180658 0.65310268 0.01591624
0.69639942 0.77414840 0.03099163
0.32475250 0.39801659 0.34812606
0.35199638 0.22993387 0.24293942
0.12387110 0.80665993 0.93225325
0.01419670 0.67787134 -0.02596756
0.96665227 0.77301231 0.90890231
0.87419378 0.78942431 0.87546834
0.84634600 0.89165056 0.81981245
0.72121652 0.83989324 0.72356519
0.63772039 0.78940416 0.73603152
0.60540597 0.71103407 0.67039064
0.65700708 0.68789702 0.59204085
0.64505036 0.60544832 0.51332253
0.77878105 0.70326108 0.49139522
0.73784492 0.74329148 0.57951218
0.77258041 0.81890540 0.64391114
0.90970932 0.97178362 0.79604787
0.00397052 0.95033822 0.82684915
0.03120408 0.85109365 0.88477694
0.84954233 0.26374661 0.34538408
0.76156041 0.38304855 0.46519763
0.74629664 0.69287497 0.28241233
0.83604787 0.57388131 0.16474575
0.20145559 0.20835296 0.13922587
0.03154957 0.20883920 0.11446352
-0.00860097 0.50728461 0.29546879
0.15915732 0.50990702 0.31706684
0.43106659 0.70243943 0.14473353
0.37378454 0.57721122 0.26670055
0.31499366 0.32008295 0.05990911
0.37456714 0.44572398 0.93823486
0.61949641 0.94884660 0.03309795
0.46471635 0.87386135 -0.00881125
0.59983000 0.51732685 0.98385261
0.75531377 0.59128267 0.02117950
0.40037379 0.39654631 0.36221409
0.29790331 0.33766075 0.39868955
0.29285739 0.48782453 0.36106775
0.42650544 0.23000255 0.26333646
0.34709915 0.19320868 0.17293479
0.32178089 0.16967174 0.29118267
0.82430571 0.72747866 0.89267299
0.59983374 0.80934317 0.79851995
0.54256817 0.66787790 0.68154384
0.83706012 0.85855534 0.63310364
0.88464665 0.05100942 0.75368423
0.05429606 0.00972990 0.80510831
0.15781152 0.65531097 0.02404042
0.76362716 0.80614609 0.04940229
0.90456353 0.34886870 0.18924093
0.43935977 0.65067785 0.96390277
0.19886910 0.84738554 0.92971170
0.98074425 0.59559781 0.01200861
0.75199144 0.91503482 0.79101006
0.58553072 0.53773377 0.49922933
0.84886761 0.73191416 0.45639938
0.10707294 0.70417135 0.98335040
0.72048789 0.61957922 0.45513560
No title
1
14.383203 0.691634 -0.376747
0.657865 11.284905 0.115829
-0.388203 0.208113 14.310243
C H O N
43 30 7 2
Direct configuration= 269
0.75071649 0.54535972 0.38095332
0.77628010 0.42364408 0.39846903
0.82485522 0.35724443 0.33219191
0.76774981 0.59869566 0.29542258
0.81694899 0.53247915 0.22945387
0.84794574 0.41324722 0.24991384
-0.00021817 0.35663120 0.20362176
0.06011734 0.27436950 0.15880722
0.15645970 0.27529738 0.17335091
0.03678834 0.44132005 0.26035568
0.13347225 0.44168148 0.27273503
0.19603888 0.35772666 0.23114923
0.30264296 0.35682217 0.24854019
0.33928264 0.43743441 0.17385072
0.37251348 0.54622411 0.19513330
0.40569338 0.61801898 0.12647883
0.33964198 0.40405025 0.07982576
0.37272737 0.47429675 0.01026224
0.40643978 0.58156610 0.03407073
0.52507454 0.69239665 -0.01392261
0.52904435 0.81401166 -0.00172101
0.61540826 0.85461175 0.02158105
0.60568848 0.61147714 -0.00556436
0.69162457 0.65340096 0.01585961
0.69626324 0.77449774 0.03082248
0.32489136 0.39771782 0.34823998
0.35212793 0.22959200 0.24292358
0.12388437 0.80691039 0.93242919
0.01446879 0.67778344 -0.02610870
0.96678729 0.77306013 0.90884123
0.87430904 0.78956083 0.87538106
0.84624197 0.89204657 0.81990508
0.72124039 0.84015447 0.72352247
0.63769143 0.78965016 0.73597930
0.60546843 0.71127648 0.67030267
0.65704891 0.68781685 0.59196961
0.64511574 0.60553706 0.51335592
0.77892323 0.70309078 0.49146808
0.73798154 0.74319450 0.57952329
0.77258722 0.81890573 0.64396941
0.90959253 0.97239517 0.79631298
0.00399093 0.95101028 0.82717817
0.03131364 0.85142496 0.88490631
0.84946271 0.26329689 0.34530545
0.76160958 0.38281919 0.46519240
0.74614306 0.69307218 0.28252592
0.83587385 0.57396061 0.16460368
0.20143476 0.20797755 0.13921126
0.03153967 0.20846767 0.11449963
-0.00868970 0.50683426 0.29581617
0.15906411 0.50948070 0.31737976
0.43163758 0.70218563 0.14487969
0.37431229 0.57681785 0.26675407
0.31448531 0.32018622 0.05971318
0.37413450 0.44595186 0.93800400
0.61928569 0.94931623 0.03266500
0.46449831 0.87426334 -0.00917523
0.59967928 0.51743709 0.98398496
0.75520042 0.59138100 0.02125533
0.40054419 0.39614899 0.36231556
0.29803411 0.33739127 0.39884506
0.29307971 0.48763363 0.36115360
0.42666641 0.22962129 0.26320848
0.34714631 0.19299869 0.17285923
0.32193738 0.16915176 0.29112675
0.82443486 0.72741987 0.89238381
0.59969410 0.80995051 0.79843523
0.54245129 0.66830062 0.68130673
0.83719684 0.85847450 0.63315891
0.88443547 0.05181010 0.75389001
0.05418523 0.01063501 0.80568946
0.15809657 0.65525906 0.02427075
0.76348120 0.80650703 0.04910446
0.90446209 0.34859430 0.18923231
0.43919069 0.65086134 0.96382901
0.19896913 0.84768099 0.93018004
0.98112162 0.59514946 0.01192048
0.75188329 0.91549762 0.79088671
0.58559816 0.53756424 0.49910601
0.84900539 0.73172624 0.45646491
0.10736962 0.70407655 0.98343559
0.72052677 0.61938793 0.45509777
No title
1
14.379394 0.695413 -0.381460
0.661152 11.274619 0.117369
-0.393005 0.210111 14.303600
C H O N
43 30 7 2
Direct configuration= 270
0.75077717 0.54517975 0.38095012
0.77624315 0.42337378 0.39848164
0.82473239 0.35692597 0.33214529
0.76765373 0.59860295 0.29548650
0.81678603 0.53240675 0.22947926
0.84771271 0.41300736 0.24991039
-0.00020697 0.35632652 0.20363087
0.06011168 0.27396040 0.15875427
0.15642938 0.27490969 0.17330064
0.03675145 0.44099885 0.26057822
0.13340717 0.44131386 0.27291122
0.19593393 0.35738564 0.23110359
0.30271757 0.35668523 0.24854183
0.33933744 0.43729532 0.17378238
0.37286160 0.54604118 0.19519376
0.40601973 0.61789706 0.12658945
0.33950073 0.40417591 0.07970177
0.37248803 0.47442304 0.01013656
0.40650348 0.58167140 0.03407445
0.52493701 0.69271180 -0.01401407
0.52878114 0.81439370 -0.00209731
0.61523432 0.85513434 0.02128428
0.60553166 0.61173276 -0.00561049
0.69144707 0.65369195 0.01580431
0.69613036 0.77483853 0.03065749
0.32502683 0.39742637 0.34835111
0.35225624 0.22925853 0.24290823
0.12389729 0.80715463 0.93260068
0.01473397 0.67769765 -0.02624618
0.96691886 0.77310674 0.90878172
0.87442131 0.78969395 0.87529599
0.84614051 0.89243282 0.81999530
0.72126356 0.84040924 0.72348080
0.63766313 0.78989011 0.73592836
0.60552922 0.71151291 0.67021690
0.65708968 0.68773866 0.59190019
0.64517945 0.60562357 0.51338849
0.77906189 0.70292462 0.49153918
0.73811472 0.74309987 0.57953418
0.77259388 0.81890603 0.64402622
0.90947863 0.97299160 0.79657130
0.00401075 0.95166566 0.82749885
0.03142039 0.85174802 0.88503242
0.84938520 0.26285831 0.34522883
0.76165756 0.38259548 0.46518735
0.74599336 0.69326454 0.28263658
0.83570416 0.57403803 0.16446512
0.20141456 0.20761141 0.13919705
0.03153014 0.20810531 0.11453489
-0.00877594 0.50639500 0.29615483
0.15897349 0.50906488 0.31768483
0.43219421 0.70193786 0.14502240
0.37482679 0.57643400 0.26680647
0.31398974 0.32028715 0.05952200
0.37371268 0.44617431 0.93777877
0.61908003 0.94977443 0.03224282
0.46428555 0.87465556 -0.00953019
0.59953240 0.51754463 0.98411391
0.75508994 0.59147694 0.02132920
0.40071041 0.39576140 0.36241457
0.29816172 0.33712837 0.39899673
0.29329647 0.48744734 0.36123739
0.42682336 0.22924942 0.26308383
0.34719230 0.19279389 0.17278562
0.32209003 0.16864458 0.29107235
0.82456065 0.72736255 0.89210194
0.59955781 0.81054291 0.79835252
0.54233718 0.66871299 0.68107549
0.83733013 0.85839559 0.63321285
0.88422949 0.05259103 0.75409044
0.05407717 0.01151769 0.80625585
0.15837450 0.65520827 0.02449540
0.76333873 0.80685917 0.04881403
0.90436328 0.34832673 0.18922392
0.43902583 0.65104038 0.96375703
0.19906671 0.84796901 0.93063659
0.98148952 0.59471207 0.01183476
0.75177770 0.91594906 0.79076637
0.58566389 0.53739889 0.49898584
0.84913974 0.73154290 0.45652885
0.10765884 0.70398397 0.98351875
0.72056470 0.61920135 0.45506094
No title
1
14.375764 0.698857 -0.386876
0.664191 11.264078 0.118875
-0.398500 0.212105 14.297540
C H O N
43 30 7 2
Direct configuration= 271
0.75080141 0.54497916 0.38100114
0.77622712 0.42305757 0.39847133
0.82460324 0.35648310 0.33217103
0.76757564 0.59858283 0.29547419
0.81662680 0.53239162 0.22943406
0.84742972 0.41279568 0.24990379
-0.00018046 0.35606711 0.20368275
0.06010489 0.27358776 0.15876107
0.15643442 0.27453242 0.17326526
0.03666736 0.44061329 0.26077944
0.13336137 0.44087166 0.27306449
0.19581551 0.35708680 0.23108619
0.30271748 0.35648033 0.24852492
0.33938004 0.43721153 0.17370160
0.37323881 0.54582329 0.19527037
0.40639053 0.61785430 0.12667234
0.33928386 0.40419728 0.07956271
0.37224915 0.47464481 0.00997747
0.40655619 0.58169854 0.03406472
0.52471209 0.69304002 -0.01408841
0.52853764 0.81480700 -0.00248666
0.61501262 0.85567106 0.02092797
0.60535762 0.61207181 -0.00568892
0.69131141 0.65393474 0.01577040
0.69602939 0.77528203 0.03048466
0.32517246 0.39710721 0.34842512
0.35240356 0.22886876 0.24290934
0.12398367 0.80742919 0.93277592
0.01504229 0.67741924 -0.02630809
0.96706188 0.77318757 0.90869913
0.87447572 0.78979468 0.87521522
0.84608355 0.89290692 0.82008930
0.72122441 0.84068130 0.72340183
0.63765844 0.79015232 0.73585526
0.60550357 0.71172403 0.67008395
0.65716247 0.68775295 0.59189988
0.64516872 0.60546228 0.51328798
0.77917288 0.70259919 0.49155645
0.73822175 0.74301912 0.57955953
0.77264252 0.81887603 0.64402866
0.90932619 0.97368842 0.79684643
0.00398474 0.95233675 0.82786012
0.03153513 0.85205382 0.88516574
0.84925777 0.26247512 0.34515346
0.76170707 0.38235064 0.46516221
0.74585486 0.69344000 0.28274400
0.83549911 0.57404817 0.16441122
0.20143508 0.20714821 0.13914775
0.03147006 0.20767691 0.11452852
-0.00887963 0.50592976 0.29649434
0.15888577 0.50858096 0.31797720
0.43278353 0.70164505 0.14517779
0.37534973 0.57602456 0.26689487
0.31345132 0.32044019 0.05932498
0.37325777 0.44642856 0.93755343
0.61886774 0.95025001 0.03179854
0.46406264 0.87507017 -0.00990632
0.59940483 0.51761808 0.98425380
0.75494277 0.59159453 0.02140473
0.40096315 0.39533731 0.36254310
0.29830004 0.33679555 0.39920850
0.29352346 0.48734788 0.36134708
0.42704229 0.22883914 0.26295641
0.34723965 0.19257616 0.17267536
0.32225446 0.16808354 0.29105556
0.82470143 0.72730920 0.89182602
0.59943841 0.81114808 0.79829422
0.54222575 0.66917900 0.68083166
0.83740823 0.85830494 0.63329527
0.88400753 0.05333676 0.75428962
0.05398705 0.01249120 0.80691439
0.15866543 0.65512050 0.02472910
0.76320887 0.80725588 0.04852808
0.90431779 0.34801702 0.18917603
0.43883788 0.65123765 0.96364356
0.19911877 0.84832643 0.93109644
0.98196805 0.59443534 0.01166800
0.75175667 0.91648756 0.79068133
0.58582206 0.53736613 0.49893870
0.84934227 0.73138976 0.45658625
0.10787581 0.70386084 0.98360190
0.72062304 0.61912982 0.45511028
No title
1
14.372046 0.702383 -0.392421
0.667303 11.253285 0.120417
-0.404125 0.214146 14.291336
C H O N
43 30 7 2
Direct configuration= 272
0.75082630 0.54477356 0.38105342
0.77621079 0.42273351 0.39846081
0.82447110 0.35602928 0.33219740
0.76749566 0.59856224 0.29546155
0.81646371 0.53237618 0.22938771
0.84713996 0.41257884 0.24989693
-0.00015321 0.35580124 0.20373592
0.06009804 0.27320588 0.15876808
0.15643966 0.27414580 0.17322907
0.03658142 0.44021814 0.26098556
0.13331464 0.44041847 0.27322151
0.19569430 0.35678058 0.23106837
0.30271743 0.35627034 0.24850762
0.33942365 0.43712566 0.17361888
0.37362521 0.54559985 0.19534901
0.40677033 0.61781033 0.12675739
0.33906169 0.40421928 0.07942018
0.37200439 0.47487220 0.00981440
0.40661017 0.58172633 0.03405478
0.52448162 0.69337648 -0.01416469
0.52828801 0.81523072 -0.00288561
0.61478528 0.85622126 0.02056286
0.60517926 0.61241935 -0.00576938
0.69117239 0.65418362 0.01573559
0.69592580 0.77573661 0.03030753
0.32532172 0.39678007 0.34850101
0.35255454 0.22846927 0.24291059
0.12407213 0.80771050 0.93295542
0.01535810 0.67713382 -0.02637136
0.96720830 0.77327037 0.90861457
0.87453139 0.78989790 0.87513251
0.84602513 0.89339279 0.82018550
0.72118422 0.84096014 0.72332088
0.63765354 0.79042106 0.73578036
0.60547720 0.71194043 0.66994775
0.65723701 0.68776757 0.59189959
0.64515773 0.60529701 0.51318505
0.77928663 0.70226563 0.49157423
0.73833140 0.74293633 0.57958555
0.77269235 0.81884526 0.64403118
0.90917000 0.97440253 0.79712809
0.00395807 0.95302443 0.82823007
0.03165262 0.85236714 0.88530231
0.84912733 0.26208248 0.34507626
0.76175783 0.38209971 0.46513650
0.74571303 0.69361983 0.28285396
0.83528909 0.57405864 0.16435593
0.20145619 0.20667350 0.13909732
0.03140864 0.20723790 0.11452203
-0.00898555 0.50545294 0.29684212
0.15879617 0.50808499 0.31827669
0.43338722 0.70134473 0.14533723
0.37588544 0.57560477 0.26698568
0.31289978 0.32059725 0.05912295
0.37279173 0.44668933 0.93732240
0.61865002 0.95073756 0.03134333
0.46383409 0.87549523 -0.01029173
0.59927421 0.51769337 0.98439702
0.75479204 0.59171509 0.02148202
0.40122216 0.39490259 0.36267491
0.29844188 0.33645439 0.39942550
0.29375600 0.48724584 0.36145954
0.42726655 0.22841862 0.26282602
0.34728816 0.19235304 0.17256247
0.32242300 0.16750853 0.29103850
0.82484551 0.72725454 0.89154346
0.59931595 0.81176833 0.79823438
0.54211141 0.66965666 0.68058181
0.83748827 0.85821199 0.63337974
0.88378010 0.05410102 0.75449346
0.05389477 0.01348877 0.80758878
0.15896350 0.65503041 0.02496861
0.76307566 0.80766253 0.04823509
0.90427126 0.34769964 0.18912699
0.43864529 0.65143991 0.96352724
0.19917217 0.84869260 0.93156744
0.98245814 0.59415161 0.01149742
0.75173496 0.91703945 0.79059414
0.58598403 0.53733250 0.49889049
0.84954976 0.73123274 0.45664514
0.10809808 0.70373456 0.98368718
0.72068283 0.61905649 0.45516085
No title
1
14.369229 0.707235 -0.398981
0.671509 11.242321 0.122512
-0.410804 0.216910 14.285040
C H O N
43 30 7 2
Direct configuration= 273
0.75080210 0.54461356 0.38109243
0.77619610 0.42237615 0.39844032
0.82430639 0.35557241 0.33219120
0.76738838 0.59868853 0.29542199
0.81629462 0.53234639 0.22926390
0.84691579 0.41227548 0.24980276
-0.00023045 0.35548657 0.20381020
0.06006643 0.27282960 0.15882819
0.15647088 0.27370129 0.17317377
0.03646363 0.43975264 0.26120427
0.13323695 0.43992542 0.27340170
0.19571871 0.35649186 0.23110752
0.30265862 0.35592689 0.24847911
0.33943825 0.43706527 0.17357083
0.37407322 0.54531868 0.19535768
0.40718569 0.61765798 0.12680121
0.33873719 0.40419461 0.07921685
0.37171808 0.47510780 0.00963988
0.40663861 0.58173675 0.03401042
0.52412537 0.69374008 -0.01428959
0.52812189 0.81577627 -0.00326958
0.61452429 0.85662283 0.02008482
0.60501084 0.61268226 -0.00586550
0.69107305 0.65449984 0.01572431
0.69571893 0.77628563 0.03006393
0.32549824 0.39643307 0.34858022
0.35270010 0.22798559 0.24289785
0.12426071 0.80792014 0.93322644
0.01580567 0.67696433 -0.02651174
0.96737647 0.77334389 0.90852053
0.87459137 0.79005348 0.87503082
0.84603358 0.89397035 0.82029349
0.72111782 0.84129691 0.72323741
0.63760154 0.79079025 0.73574129
0.60536886 0.71218478 0.66978508
0.65731755 0.68784034 0.59192106
0.64534165 0.60525068 0.51311706
0.77953815 0.70193999 0.49153913
0.73841908 0.74279218 0.57958489
0.77282455 0.81885061 0.64401869
0.90905827 0.97525668 0.79747182
0.00380268 0.95379612 0.82866011
0.03171302 0.85270342 0.88544404
0.84896467 0.26157803 0.34502006
0.76180057 0.38175425 0.46515628
0.74559309 0.69372962 0.28296970
0.83503254 0.57399363 0.16438266
0.20152248 0.20607027 0.13901047
0.03128458 0.20670845 0.11447638
-0.00911559 0.50490526 0.29721197
0.15872139 0.50746554 0.31858181
0.43410529 0.70108046 0.14554262
0.37647607 0.57514400 0.26718547
0.31226622 0.32083762 0.05889759
0.37225341 0.44703565 0.93708769
0.61840178 0.95142355 0.03083617
0.46351556 0.87603858 -0.01074514
0.59915730 0.51784618 0.98456647
0.75459675 0.59186024 0.02156435
0.40154204 0.39438601 0.36283240
0.29862475 0.33604507 0.39967981
0.29403361 0.48718144 0.36160358
0.42756792 0.22792614 0.26269539
0.34734323 0.19208851 0.17241417
0.32264046 0.16685616 0.29104633
0.82499530 0.72716974 0.89125817
0.59925077 0.81240653 0.79811504
0.54195405 0.67019546 0.68030644
0.83752403 0.85810988 0.63349993
0.88351638 0.05488954 0.75472468
0.05380705 0.01465574 0.80841513
0.15927075 0.65491754 0.02520671
0.76301072 0.80819392 0.04795135
0.90421980 0.34738701 0.18909414
0.43841568 0.65167771 0.96338123
0.19921987 0.84921362 0.93206699
0.98296479 0.59370703 0.01135210
0.75175983 0.91768858 0.79049125
0.58596604 0.53710407 0.49883083
0.84969204 0.73099076 0.45676723
0.10832701 0.70363917 0.98375141
0.72080120 0.61897351 0.45520746
No title
1
14.367539 0.710145 -0.402916
0.674032 11.235746 0.123768
-0.414810 0.218568 14.281264
C H O N
43 30 7 2
Direct configuration= 274
0.75078763 0.54451750 0.38111585
0.77618735 0.42216161 0.39842806
0.82420767 0.35529817 0.33218748
0.76732400 0.59876439 0.29539821
0.81619316 0.53232857 0.22918957
0.84678135 0.41209344 0.24974621
-0.00027670 0.35529766 0.20385478
0.06004756 0.27260370 0.15886429
0.15648968 0.27343444 0.17314064
0.03639313 0.43947318 0.26133551
0.13319049 0.43962941 0.27350984
0.19573342 0.35631852 0.23113105
0.30262341 0.35572072 0.24846202
0.33944701 0.43702901 0.17354201
0.37434204 0.54514975 0.19536303
0.40743491 0.61756639 0.12682764
0.33854247 0.40417991 0.07909477
0.37154624 0.47524935 0.00953506
0.40665566 0.58174300 0.03398381
0.52391155 0.69395849 -0.01436467
0.52802202 0.81610391 -0.00350007
0.61436751 0.85686406 0.01979787
0.60490972 0.61284016 -0.00592324
0.69101338 0.65468971 0.01571748
0.69559465 0.77661533 0.02991765
0.32560422 0.39622468 0.34862782
0.35278751 0.22769518 0.24289030
0.12437387 0.80804589 0.93338909
0.01607415 0.67686248 -0.02659583
0.96747732 0.77338800 0.90846414
0.87462730 0.79014688 0.87496981
0.84603855 0.89431707 0.82035823
0.72107789 0.84149913 0.72318728
0.63757027 0.79101191 0.73571779
0.60530376 0.71233153 0.66968742
0.65736585 0.68788401 0.59193395
0.64545198 0.60522283 0.51307632
0.77968909 0.70174443 0.49151818
0.73847170 0.74270562 0.57958453
0.77290386 0.81885379 0.64401123
0.90899116 0.97576944 0.79767794
0.00370943 0.95425938 0.82891803
0.03174923 0.85290526 0.88552906
0.84886719 0.26127524 0.34498635
0.76182629 0.38154685 0.46516819
0.74552115 0.69379555 0.28303910
0.83487867 0.57395468 0.16439864
0.20156234 0.20570812 0.13895844
0.03121026 0.20639064 0.11444901
-0.00919338 0.50457643 0.29743390
0.15867675 0.50709362 0.31876493
0.43453617 0.70092157 0.14566609
0.37683053 0.57486719 0.26730555
0.31188604 0.32098214 0.05876216
0.37193034 0.44724375 0.93694667
0.61825257 0.95183554 0.03053172
0.46332423 0.87636494 -0.01101735
0.59908718 0.51793792 0.98466809
0.75447959 0.59194742 0.02161367
0.40173408 0.39407577 0.36292704
0.29873461 0.33579924 0.39983249
0.29420020 0.48714268 0.36169009
0.42774877 0.22763041 0.26261713
0.34737628 0.19192970 0.17232523
0.32277105 0.16646445 0.29105116
0.82508509 0.72711884 0.89108703
0.59921151 0.81278972 0.79804335
0.54185946 0.67051901 0.68014111
0.83754554 0.85804855 0.63357207
0.88335808 0.05536295 0.75486326
0.05375443 0.01535621 0.80891081
0.15945516 0.65484966 0.02534967
0.76297158 0.80851300 0.04778103
0.90418899 0.34719934 0.18907445
0.43827784 0.65182056 0.96329353
0.19924852 0.84952631 0.93236670
0.98326877 0.59344001 0.01126508
0.75177458 0.91807830 0.79042945
0.58595528 0.53696695 0.49879504
0.84977749 0.73084542 0.45684056
0.10846439 0.70358183 0.98379003
0.72087224 0.61892365 0.45523547
No title
1
14.366102 0.715142 -0.409250
0.678387 11.225483 0.125974
-0.421320 0.221475 14.274561
C H O N
43 30 7 2
Direct configuration= 275
0.75074049 0.54446809 0.38100457
0.77613075 0.42193107 0.39843890
0.82407004 0.35502865 0.33202369
0.76724930 0.59878367 0.29540079
0.81600294 0.53216926 0.22919024
0.84670986 0.41180553 0.24958378
-0.00046183 0.35494805 0.20391811
0.05997970 0.27221218 0.15889359
0.15654996 0.27305206 0.17309951
0.03628810 0.43907445 0.26153967
0.13309515 0.43922350 0.27367729
0.19587038 0.35602013 0.23117271
0.30264023 0.35538167 0.24848203
0.33939358 0.43687928 0.17348329
0.37473219 0.54488784 0.19539380
0.40780750 0.61732584 0.12682128
0.33822346 0.40433000 0.07893421
0.37123311 0.47530377 0.00942725
0.40663857 0.58179503 0.03388767
0.52367504 0.69424345 -0.01454244
0.52777152 0.81654983 -0.00381027
0.61420216 0.85733252 0.01935759
0.60478810 0.61303975 -0.00596760
0.69085506 0.65506033 0.01569705
0.69546111 0.77698382 0.02966293
0.32578276 0.39594018 0.34875536
0.35291885 0.22723805 0.24284120
0.12453664 0.80817847 0.93366636
0.01637556 0.67671291 -0.02674054
0.96762857 0.77339638 0.90838944
0.87472675 0.79035853 0.87486984
0.84610524 0.89478451 0.82045310
0.72109907 0.84185067 0.72313203
0.63745223 0.79137082 0.73563666
0.60522041 0.71268777 0.66961911
0.65738284 0.68791087 0.59188882
0.64551274 0.60508275 0.51309774
0.77984495 0.70160241 0.49165310
0.73863641 0.74261224 0.57958287
0.77293351 0.81884650 0.64403954
0.90893406 0.97653595 0.79801924
0.00358990 0.95502703 0.82931338
0.03173430 0.85318214 0.88566689
0.84872034 0.26069153 0.34498133
0.76184571 0.38115452 0.46525336
0.74543829 0.69390626 0.28310718
0.83467002 0.57388923 0.16439107
0.20163186 0.20515174 0.13887261
0.03107946 0.20598049 0.11443311
-0.00931378 0.50407113 0.29773738
0.15864975 0.50650179 0.31902231
0.43520563 0.70072488 0.14585927
0.37735404 0.57444159 0.26751371
0.31128596 0.32119503 0.05853921
0.37143580 0.44762728 0.93675635
0.61801284 0.95246355 0.03005733
0.46301391 0.87692206 -0.01144049
0.59901699 0.51812582 0.98481837
0.75432879 0.59206303 0.02168855
0.40197091 0.39357929 0.36304964
0.29894920 0.33547138 0.40000922
0.29448871 0.48705114 0.36182105
0.42799694 0.22717772 0.26251296
0.34742699 0.19166549 0.17219334
0.32301604 0.16589580 0.29106635
0.82520961 0.72703553 0.89086239
0.59922025 0.81328812 0.79788902
0.54163163 0.67095002 0.67990642
0.83761770 0.85801876 0.63368732
0.88311054 0.05604179 0.75507001
0.05361784 0.01636009 0.80973928
0.15965296 0.65476383 0.02549209
0.76292833 0.80906121 0.04756381
0.90407762 0.34697125 0.18907249
0.43802464 0.65204044 0.96317333
0.19931952 0.85009856 0.93279095
0.98372814 0.59304442 0.01111161
0.75179402 0.91863362 0.79026955
0.58601211 0.53686174 0.49877836
0.84997719 0.73059106 0.45690995
0.10882443 0.70355038 0.98385204
0.72101415 0.61871254 0.45519150
No title
1
14.364625 0.720280 -0.415762
0.682865 11.214930 0.128241
-0.428014 0.224464 14.267670
C H O N
43 30 7 2
Direct configuration= 276
0.75069197 0.54441730 0.38089009
0.77607263 0.42169384 0.39845008
0.82392853 0.35475139 0.33185518
0.76717249 0.59880354 0.29540340
0.81580738 0.53200540 0.22919088
0.84663637 0.41150930 0.24941670
-0.00065204 0.35458832 0.20398324
0.05991008 0.27180927 0.15892377
0.15661207 0.27265852 0.17305730
0.03618034 0.43866409 0.26174970
0.13299733 0.43880575 0.27384956
0.19601134 0.35571296 0.23121568
0.30265765 0.35503272 0.24850268
0.33933866 0.43672522 0.17342289
0.37513349 0.54461810 0.19542569
0.40819072 0.61707810 0.12681494
0.33789528 0.40448467 0.07876888
0.37091104 0.47535995 0.00931619
0.40662093 0.58184862 0.03378876
0.52343164 0.69453688 -0.01472547
0.52751362 0.81700897 -0.00412957
0.61403174 0.85781485 0.01890453
0.60466295 0.61324523 -0.00601331
0.69069212 0.65544183 0.01567590
0.69532353 0.77736318 0.02940076
0.32596653 0.39564727 0.34888669
0.35305404 0.22676754 0.24279082
0.12470411 0.80831475 0.93395164
0.01668548 0.67655888 -0.02688924
0.96778407 0.77340495 0.90831267
0.87482888 0.79057633 0.87476700
0.84617369 0.89526552 0.82055063
0.72112069 0.84221246 0.72307515
0.63733068 0.79174027 0.73555308
0.60513454 0.71305446 0.66954874
0.65740027 0.68793853 0.59184240
0.64557528 0.60493854 0.51311983
0.78000534 0.70145613 0.49179199
0.73880583 0.74251606 0.57958126
0.77296402 0.81883897 0.64406867
0.90887522 0.97732472 0.79837016
0.00346692 0.95581700 0.82971988
0.03171891 0.85346705 0.88580861
0.84856954 0.26009088 0.34497620
0.76186587 0.38075072 0.46534105
0.74535308 0.69402022 0.28317714
0.83445548 0.57382198 0.16438320
0.20170350 0.20457914 0.13878445
0.03094509 0.20555845 0.11441676
-0.00943726 0.50355106 0.29804959
0.15862232 0.50589265 0.31928716
0.43589423 0.70052208 0.14605834
0.37789263 0.57400326 0.26772816
0.31066870 0.32141449 0.05830955
0.37092703 0.44802228 0.93656027
0.61776585 0.95311012 0.02956912
0.46269439 0.87749570 -0.01187602
0.59894481 0.51831920 0.98497290
0.75417372 0.59218206 0.02176549
0.40221468 0.39306819 0.36317595
0.29917007 0.33513381 0.40019119
0.29478548 0.48695675 0.36195592
0.42825224 0.22671175 0.26240600
0.34747918 0.19139359 0.17205775
0.32326818 0.16531045 0.29108220
0.82533757 0.72694981 0.89063138
0.59922898 0.81380109 0.79773018
0.54139707 0.67139377 0.67966481
0.83769198 0.85798804 0.63380591
0.88285584 0.05674048 0.75528245
0.05347743 0.01739303 0.81059125
0.15985646 0.65467537 0.02563871
0.76288355 0.80962549 0.04734024
0.90396318 0.34673657 0.18907046
0.43776413 0.65226689 0.96304954
0.19939253 0.85068733 0.93322729
0.98420059 0.59263713 0.01095402
0.75181374 0.91920516 0.79010496
0.58607058 0.53675344 0.49876124
0.85018268 0.73032917 0.45698148
0.10919471 0.70351782 0.98391601
0.72116014 0.61849523 0.45514638
No title
1
14.360313 0.725253 -0.423386
0.687222 11.201459 0.130745
-0.435795 0.227786 14.259090
C H O N
43 30 7 2
Direct configuration= 277
0.75063480 0.54425467 0.38078238
0.77600359 0.42146212 0.39837689
0.82379175 0.35436139 0.33169535
0.76712353 0.59870496 0.29533582
0.81559409 0.53177621 0.22920258
0.84655803 0.41128513 0.24930264
-0.00077255 0.35408852 0.20404685
0.05984122 0.27135256 0.15894980
0.15666027 0.27225911 0.17304379
0.03606285 0.43816264 0.26193600
0.13297008 0.43826191 0.27397783
0.19602044 0.35528707 0.23122306
0.30285952 0.35471765 0.24860758
0.33926849 0.43657275 0.17340691
0.37548352 0.54419885 0.19557665
0.40867284 0.61691496 0.12686384
0.33744319 0.40461946 0.07868362
0.37058645 0.47551878 0.00918540
0.40651015 0.58183025 0.03362369
0.52330739 0.69480949 -0.01498817
0.52713712 0.81745789 -0.00446203
0.61383793 0.85853368 0.01841541
0.60449768 0.61363165 -0.00599857
0.69049627 0.65567218 0.01560328
0.69535675 0.77786336 0.02912714
0.32619772 0.39533820 0.34905951
0.35326924 0.22625834 0.24273951
0.12494969 0.80865421 0.93421867
0.01693003 0.67626852 -0.02699143
0.96796396 0.77338821 0.90823286
0.87492103 0.79071997 0.87469955
0.84622539 0.89576942 0.82059559
0.72110721 0.84256516 0.72304932
0.63733681 0.79229447 0.73534696
0.60502239 0.71346444 0.66943609
0.65742057 0.68800114 0.59177431
0.64560699 0.60473264 0.51316295
0.78019804 0.70135801 0.49191587
0.73891380 0.74239564 0.57966428
0.77299181 0.81890943 0.64416398
0.90877233 0.97813762 0.79875180
0.00346182 0.95665279 0.83026381
0.03174854 0.85378304 0.88601625
0.84835716 0.25949949 0.34497450
0.76187733 0.38027161 0.46544188
0.74528958 0.69419016 0.28319227
0.83424175 0.57374995 0.16433953
0.20173775 0.20401826 0.13871198
0.03080120 0.20518530 0.11444021
-0.00958323 0.50300032 0.29837786
0.15864109 0.50526664 0.31960650
0.43660762 0.70014227 0.14622336
0.37848907 0.57348156 0.26788788
0.30997726 0.32171202 0.05804687
0.37034460 0.44849230 0.93633509
0.61747896 0.95376818 0.02899638
0.46235058 0.87817658 -0.01236142
0.59890810 0.51846964 0.98512742
0.75399525 0.59235715 0.02185220
0.40240329 0.39247530 0.36328400
0.29946402 0.33482404 0.40032525
0.29515396 0.48677603 0.36209404
0.42842603 0.22619325 0.26228882
0.34753264 0.19104468 0.17190781
0.32360951 0.16469390 0.29108580
0.82553571 0.72696293 0.89037880
0.59923534 0.81431309 0.79759323
0.54111870 0.67186857 0.67941364
0.83780145 0.85800949 0.63394127
0.88256322 0.05754222 0.75551411
0.05325987 0.01847539 0.81159958
0.16013069 0.65448501 0.02581515
0.76272108 0.81024008 0.04709751
0.90377555 0.34643027 0.18897574
0.43746528 0.65253078 0.96291125
0.19935993 0.85133587 0.93368502
0.98476221 0.59231489 0.01069423
0.75185721 0.91977630 0.78986502
0.58618307 0.53670264 0.49877569
0.85039117 0.72998368 0.45709440
0.10953890 0.70357762 0.98389633
0.72126066 0.61829615 0.45521023
No title
1
14.358666 0.727152 -0.426298
0.688886 11.196314 0.131702
-0.438767 0.229054 14.255813
C H O N
43 30 7 2
Direct configuration= 278
0.75061296 0.54419250 0.38074121
0.77597722 0.42137352 0.39834892
0.82373951 0.35421228 0.33163426
0.76710483 0.59866728 0.29530999
0.81551263 0.53168860 0.22920703
0.84652811 0.41119943 0.24925904
-0.00081852 0.35389739 0.20407118
0.05981498 0.27117791 0.15895977
0.15667874 0.27210636 0.17303867
0.03601808 0.43797087 0.26200722
0.13295977 0.43805391 0.27402690
0.19602398 0.35512419 0.23122592
0.30293672 0.35459711 0.24864774
0.33924170 0.43651446 0.17340080
0.37561735 0.54403843 0.19563445
0.40885710 0.61685247 0.12688263
0.33727041 0.40467111 0.07865093
0.37046237 0.47557960 0.00913534
0.40646779 0.58182328 0.03356058
0.52325982 0.69491380 -0.01508862
0.52699313 0.81762968 -0.00458921
0.61376367 0.85880868 0.01822837
0.60443448 0.61377946 -0.00599300
0.69042139 0.65576032 0.01557546
0.69536931 0.77805467 0.02902252
0.32628614 0.39521993 0.34912564
0.35335153 0.22606357 0.24271998
0.12504354 0.80878396 0.93432076
0.01702349 0.67615745 -0.02703042
0.96803268 0.77338178 0.90820240
0.87495620 0.79077490 0.87467378
0.84624509 0.89596211 0.82061275
0.72110201 0.84270005 0.72303942
0.63733902 0.79250645 0.73526814
0.60497946 0.71362127 0.66939298
0.65742830 0.68802509 0.59174829
0.64561915 0.60465388 0.51317946
0.78027171 0.70132044 0.49196327
0.73895509 0.74234955 0.57969605
0.77300244 0.81893636 0.64420041
0.90873298 0.97844847 0.79889759
0.00345987 0.95697236 0.83047165
0.03175986 0.85390386 0.88609559
0.84827609 0.25927335 0.34497385
0.76188179 0.38008837 0.46548046
0.74526530 0.69425516 0.28319802
0.83416009 0.57372245 0.16432280
0.20175089 0.20380376 0.13868433
0.03074628 0.20504261 0.11444918
-0.00963885 0.50278967 0.29850334
0.15864842 0.50502718 0.31972860
0.43688030 0.69999687 0.14628661
0.37871708 0.57328191 0.26794910
0.30971296 0.32182597 0.05794630
0.37012193 0.44867219 0.93624886
0.61736912 0.95401998 0.02877737
0.46221901 0.87843710 -0.01254707
0.59889408 0.51852716 0.98518646
0.75392705 0.59242414 0.02188529
0.40247546 0.39224850 0.36332538
0.29957641 0.33470550 0.40037658
0.29529480 0.48670683 0.36214692
0.42849249 0.22599494 0.26224411
0.34755308 0.19091125 0.17185054
0.32374002 0.16445804 0.29108729
0.82561137 0.72696794 0.89028231
0.59923767 0.81450892 0.79754085
0.54101221 0.67205023 0.67931754
0.83784331 0.85801765 0.63399303
0.88245134 0.05784886 0.75560253
0.05317681 0.01888923 0.81198485
0.16023555 0.65441214 0.02588265
0.76265886 0.81047518 0.04700465
0.90370388 0.34631317 0.18893953
0.43735102 0.65263178 0.96285831
0.19934748 0.85158384 0.93385991
0.98497679 0.59219158 0.01059508
0.75187368 0.91999475 0.78977328
0.58622607 0.53668318 0.49878124
0.85047090 0.72985150 0.45713763
0.10967040 0.70360043 0.98388888
0.72129911 0.61821999 0.45523467
No title
1
14.353351 0.732190 -0.434061
0.693202 11.183662 0.134157
-0.446650 0.232338 14.247330
C H O N
43 30 7 2
Direct configuration= 279
0.75054445 0.54399873 0.38075132
0.77592718 0.42099654 0.39825720
0.82361764 0.35375507 0.33158032
0.76701936 0.59861783 0.29520591
0.81536529 0.53156389 0.22907022
0.84642754 0.41092982 0.24927142
-0.00085794 0.35336730 0.20412433
0.05980584 0.27075674 0.15899588
0.15665067 0.27166054 0.17299991
0.03594079 0.43745372 0.26215072
0.13296804 0.43752218 0.27413029
0.19599070 0.35466029 0.23123570
0.30318186 0.35433875 0.24877604
0.33917788 0.43637307 0.17347260
0.37594036 0.54370063 0.19572707
0.40926416 0.61656126 0.12700604
0.33679293 0.40477620 0.07858660
0.37012313 0.47576066 0.00901484
0.40635404 0.58188286 0.03349736
0.52307070 0.69525723 -0.01537488
0.52672359 0.81810315 -0.00487998
0.61355405 0.85935707 0.01776208
0.60428155 0.61404925 -0.00595409
0.69033208 0.65600574 0.01550332
0.69529660 0.77858052 0.02872100
0.32651403 0.39491430 0.34924328
0.35356703 0.22561994 0.24267120
0.12507797 0.80918133 0.93452297
0.01737872 0.67615413 -0.02722921
0.96816645 0.77336262 0.90812551
0.87506790 0.79088085 0.87462087
0.84624634 0.89637580 0.82060611
0.72111941 0.84301668 0.72300589
0.63734715 0.79310959 0.73506342
0.60485926 0.71396091 0.66919062
0.65740735 0.68811408 0.59174380
0.64579532 0.60463746 0.51324139
0.78039668 0.70116605 0.49203987
0.73901138 0.74228533 0.57986234
0.77307445 0.81906208 0.64429669
0.90864534 0.97917622 0.79924009
0.00343618 0.95763305 0.83109322
0.03187778 0.85424163 0.88633354
0.84803337 0.25880344 0.34495823
0.76189938 0.37966819 0.46548648
0.74524994 0.69438751 0.28315445
0.83396629 0.57363708 0.16428139
0.20172756 0.20336488 0.13864970
0.03061017 0.20472114 0.11447798
-0.00977130 0.50227615 0.29879549
0.15870035 0.50445919 0.32004322
0.43753645 0.69954913 0.14640204
0.37929285 0.57275540 0.26807049
0.30903879 0.32214256 0.05769400
0.36954191 0.44912455 0.93601204
0.61708510 0.95472461 0.02821069
0.46188703 0.87910975 -0.01301075
0.59889064 0.51866363 0.98532565
0.75376728 0.59258985 0.02196965
0.40265200 0.39166605 0.36342119
0.29987506 0.33442387 0.40048438
0.29566393 0.48650421 0.36227214
0.42862586 0.22549030 0.26214585
0.34760046 0.19053870 0.17171545
0.32411633 0.16388729 0.29107796
0.82581722 0.72704126 0.89004990
0.59924996 0.81496012 0.79741846
0.54078311 0.67253007 0.67909546
0.83794847 0.85807284 0.63412966
0.88216922 0.05865915 0.75583205
0.05298825 0.01994733 0.81297239
0.16053085 0.65418699 0.02603802
0.76250265 0.81107352 0.04679326
0.90351806 0.34595852 0.18874093
0.43711498 0.65288818 0.96270016
0.19942855 0.85231214 0.93427395
0.98541453 0.59166063 0.01042342
0.75192629 0.92052654 0.78954574
0.58619988 0.53648947 0.49878596
0.85069238 0.72951784 0.45726734
0.10994066 0.70359770 0.98386843
0.72135059 0.61809122 0.45538142
No title
1
14.349232 0.736093 -0.440076
0.696546 11.173859 0.136060
-0.452758 0.234882 14.240758
C H O N
43 30 7 2
Direct configuration= 280
0.75049141 0.54384844 0.38075916
0.77588844 0.42070416 0.39818613
0.82352328 0.35340046 0.33153852
0.76695308 0.59857953 0.29512518
0.81525105 0.53146724 0.22896410
0.84634966 0.41072072 0.24928101
-0.00088833 0.35295611 0.20416560
0.05979889 0.27043002 0.15902394
0.15662903 0.27131473 0.17296993
0.03588110 0.43705254 0.26226201
0.13297465 0.43710967 0.27421054
0.19596503 0.35430044 0.23124333
0.30337201 0.35413821 0.24887566
0.33912848 0.43626340 0.17352826
0.37619088 0.54343844 0.19579908
0.40957983 0.61633517 0.12710194
0.33642276 0.40485792 0.07853651
0.36986007 0.47590128 0.00892125
0.40626582 0.58192914 0.03344829
0.52292388 0.69552379 -0.01559695
0.52651439 0.81847060 -0.00510560
0.61339119 0.85978267 0.01740039
0.60416295 0.61425857 -0.00592403
0.69026275 0.65619617 0.01544730
0.69523995 0.77898854 0.02848712
0.32669081 0.39467710 0.34933463
0.35373418 0.22527574 0.24263355
0.12510464 0.80948951 0.93467970
0.01765399 0.67615148 -0.02738317
0.96827010 0.77334772 0.90806596
0.87515443 0.79096301 0.87457988
0.84624720 0.89669671 0.82060090
0.72113279 0.84326231 0.72297986
0.63735319 0.79357751 0.73490462
0.60476590 0.71422447 0.66903364
0.65739108 0.68818313 0.59174031
0.64593191 0.60462463 0.51328949
0.78049363 0.70104623 0.49209933
0.73905511 0.74223544 0.57999129
0.77313027 0.81915955 0.64437134
0.90857735 0.97974070 0.79950548
0.00341792 0.95814541 0.83157503
0.03196919 0.85450354 0.88651802
0.84784535 0.25843901 0.34494608
0.76191313 0.37934224 0.46549121
0.74523798 0.69449019 0.28312065
0.83381608 0.57357094 0.16424922
0.20170958 0.20302445 0.13862290
0.03050476 0.20447180 0.11450030
-0.00987370 0.50187778 0.29902201
0.15874090 0.50401848 0.32028725
0.43804524 0.69920153 0.14649188
0.37973937 0.57234671 0.26816493
0.30851601 0.32238847 0.05749804
0.36909207 0.44947575 0.93582811
0.61686449 0.95527147 0.02777112
0.46162930 0.87963179 -0.01337050
0.59888800 0.51876945 0.98543355
0.75364343 0.59271844 0.02203496
0.40278905 0.39121414 0.36349564
0.30010669 0.33420526 0.40056814
0.29595018 0.48634687 0.36236941
0.42872934 0.22509881 0.26206981
0.34763722 0.19024973 0.17161078
0.32440818 0.16344441 0.29107097
0.82597666 0.72709812 0.88986979
0.59925930 0.81531015 0.79732351
0.54060528 0.67290245 0.67892310
0.83803004 0.85811557 0.63423562
0.88195041 0.05928776 0.75600975
0.05284225 0.02076792 0.81373780
0.16075989 0.65401218 0.02615863
0.76238130 0.81153778 0.04662922
0.90337403 0.34568353 0.18858692
0.43693187 0.65308720 0.96257740
0.19949138 0.85287696 0.93459489
0.98575391 0.59124864 0.01029060
0.75196681 0.92093911 0.78936927
0.58617964 0.53633921 0.49878964
0.85086422 0.72925890 0.45736805
0.11015015 0.70359548 0.98385269
0.72139061 0.61799128 0.45549523
No title
1
14.343210 0.739962 -0.447691
0.699889 11.161981 0.138853
-0.460499 0.238637 14.232749
C H O N
43 30 7 2
Direct configuration= 281
0.75043105 0.54367530 0.38080307
0.77581268 0.42025423 0.39817281
0.82341073 0.35296497 0.33153478
0.76681627 0.59856921 0.29506679
0.81513579 0.53138228 0.22881235
0.84625262 0.41037185 0.24929042
-0.00094971 0.35247457 0.20422239
0.05979735 0.26999694 0.15903442
0.15657945 0.27082676 0.17292061
0.03583569 0.43656144 0.26240701
0.13296732 0.43667014 0.27435496
0.19602808 0.35383658 0.23129088
0.30349051 0.35386889 0.24895475
0.33908087 0.43612137 0.17361137
0.37650827 0.54318062 0.19583094
0.40989524 0.61592964 0.12722153
0.33598633 0.40502745 0.07845535
0.36946446 0.47605374 0.00884101
0.40619787 0.58208727 0.03348198
0.52263826 0.69592551 -0.01585285
0.52631186 0.81900491 -0.00540406
0.61317325 0.86022425 0.01697159
0.60406783 0.61440287 -0.00589230
0.69021164 0.65659968 0.01538744
0.69501961 0.77943496 0.02814881
0.32690065 0.39436428 0.34938613
0.35388920 0.22488970 0.24256743
0.12522796 0.80998247 0.93487478
0.01795134 0.67592658 -0.02746801
0.96842824 0.77341220 0.90798762
0.87528400 0.79111565 0.87448822
0.84624925 0.89705371 0.82057386
0.72120419 0.84358908 0.72292153
0.63722942 0.79408142 0.73472538
0.60464173 0.71458502 0.66885551
0.65735874 0.68827449 0.59176595
0.64593173 0.60449459 0.51331222
0.78059119 0.70088314 0.49220442
0.73914879 0.74225728 0.58014957
0.77324790 0.81927669 0.64441005
0.90850268 0.98037336 0.79981413
0.00331640 0.95879268 0.83217193
0.03207070 0.85481630 0.88678062
0.84761154 0.25796894 0.34492533
0.76193613 0.37897352 0.46540343
0.74525725 0.69458501 0.28303011
0.83366037 0.57351078 0.16414151
0.20165986 0.20264980 0.13859761
0.03037531 0.20415268 0.11450758
-0.00996448 0.50135951 0.29926206
0.15880328 0.50346153 0.32056528
0.43866565 0.69873879 0.14658729
0.38030342 0.57183355 0.26829453
0.30784143 0.32267087 0.05725638
0.36851153 0.44990002 0.93558927
0.61658273 0.95599426 0.02720939
0.46133403 0.88026006 -0.01380585
0.59889853 0.51888473 0.98556304
0.75355670 0.59282127 0.02212183
0.40303021 0.39065039 0.36360225
0.30038213 0.33390402 0.40069057
0.29629880 0.48617157 0.36248495
0.42892443 0.22460127 0.26200307
0.34768042 0.18987680 0.17150333
0.32479658 0.16290136 0.29105973
0.82614014 0.72714989 0.88967069
0.59928435 0.81572717 0.79718819
0.54043410 0.67339544 0.67872458
0.83813779 0.85819816 0.63436875
0.88170065 0.06008744 0.75626190
0.05269200 0.02180181 0.81469914
0.16102805 0.65381532 0.02625218
0.76227146 0.81213185 0.04644431
0.90322771 0.34531646 0.18837306
0.43673844 0.65331507 0.96242645
0.19948525 0.85355964 0.93497609
0.98621797 0.59089376 0.01004053
0.75200577 0.92147354 0.78919749
0.58626559 0.53627186 0.49883664
0.85105295 0.72893047 0.45752377
0.11043585 0.70351021 0.98387876
0.72144501 0.61785921 0.45561450
No title
1
14.336960 0.743977 -0.455592
0.703358 11.149656 0.141751
-0.468533 0.242532 14.224437
C H O N
43 30 7 2
Direct configuration= 282
0.75036847 0.54349544 0.38084867
0.77573415 0.41978688 0.39815903
0.82329401 0.35251262 0.33153092
0.76667420 0.59855857 0.29500608
0.81501606 0.53129414 0.22865473
0.84615199 0.41000947 0.24930020
-0.00101324 0.35197435 0.20428143
0.05979589 0.26954704 0.15904539
0.15652810 0.27031988 0.17286949
0.03578877 0.43605123 0.26255764
0.13295994 0.43621348 0.27450500
0.19609371 0.35335466 0.23134040
0.30361367 0.35358904 0.24903700
0.33903152 0.43597381 0.17369767
0.37683788 0.54291264 0.19586426
0.41022288 0.61550819 0.12734598
0.33553315 0.40520377 0.07837081
0.36905365 0.47621231 0.00875743
0.40612729 0.58225155 0.03351689
0.52234147 0.69634304 -0.01611880
0.52610126 0.81956016 -0.00571418
0.61294660 0.86068323 0.01652613
0.60396904 0.61455279 -0.00585944
0.69015842 0.65701890 0.01532517
0.69479052 0.77989895 0.02779732
0.32711862 0.39403920 0.34943979
0.35405021 0.22448863 0.24249895
0.12535594 0.81049445 0.93507729
0.01826006 0.67569287 -0.02755587
0.96859234 0.77347915 0.90790634
0.87541841 0.79127421 0.87439310
0.84625125 0.89742459 0.82054572
0.72127819 0.84392854 0.72286094
0.63710066 0.79460502 0.73453909
0.60451260 0.71495969 0.66867042
0.65732515 0.68836940 0.59179254
0.64593159 0.60435949 0.51333584
0.78069260 0.70071363 0.49231363
0.73924613 0.74227987 0.58031396
0.77337001 0.81939833 0.64445028
0.90842516 0.98103048 0.80013442
0.00321116 0.95946488 0.83279149
0.03217615 0.85514105 0.88705326
0.84736894 0.25748071 0.34490377
0.76196007 0.37859052 0.46531237
0.74527716 0.69468355 0.28293609
0.83349866 0.57344838 0.16402959
0.20160835 0.20226063 0.13857141
0.03024102 0.20382122 0.11451514
-0.01005844 0.50082105 0.29951136
0.15886838 0.50288283 0.32085412
0.43930994 0.69825780 0.14668680
0.38088923 0.57130019 0.26842953
0.30714087 0.32296461 0.05700502
0.36790856 0.45034109 0.93534084
0.61628967 0.95674545 0.02662583
0.46102703 0.88091300 -0.01425819
0.59890949 0.51900442 0.98569746
0.75346668 0.59292809 0.02221195
0.40328081 0.39006462 0.36371320
0.30066824 0.33359091 0.40081793
0.29666086 0.48598928 0.36260515
0.42912707 0.22408435 0.26193400
0.34772531 0.18948942 0.17139186
0.32519995 0.16233707 0.29104841
0.82630972 0.72720369 0.88946405
0.59931014 0.81616043 0.79704761
0.54025612 0.67390771 0.67851825
0.83824971 0.85828385 0.63450702
0.88144126 0.06091817 0.75652338
0.05253629 0.02287551 0.81569697
0.16130657 0.65361068 0.02634951
0.76215713 0.81274911 0.04625213
0.90307578 0.34493528 0.18815101
0.43653747 0.65355191 0.96226955
0.19947891 0.85426868 0.93537173
0.98669970 0.59052502 0.00978123
0.75204595 0.92202878 0.78901904
0.58635488 0.53620184 0.49888550
0.85124909 0.72858916 0.45768563
0.11073250 0.70342150 0.98390602
0.72150161 0.61772194 0.45573840
No title
1
14.331107 0.748213 -0.464671
0.707044 11.137031 0.145296
-0.477775 0.247308 14.216593
C H O N
43 30 7 2
Direct configuration= 283
0.75033421 0.54327162 0.38087410
0.77559461 0.41940134 0.39814633
0.82316714 0.35205312 0.33153253
0.76651317 0.59845500 0.29498387
0.81486932 0.53110839 0.22864221
0.84602483 0.40961397 0.24917185
-0.00113044 0.35147007 0.20433697
0.05970194 0.26901568 0.15902862
0.15653938 0.26980708 0.17289486
0.03573102 0.43551295 0.26275775
0.13298882 0.43570031 0.27470733
0.19619948 0.35285664 0.23145233
0.30357137 0.35320137 0.24902968
0.33900105 0.43584620 0.17371725
0.37714696 0.54250346 0.19599164
0.41059763 0.61520271 0.12741153
0.33504456 0.40541732 0.07827377
0.36854726 0.47652623 0.00866376
0.40604902 0.58234492 0.03351035
0.52209586 0.69673949 -0.01632896
0.52576877 0.82021302 -0.00614952
0.61266277 0.86139663 0.01607210
0.60385177 0.61488794 -0.00585450
0.69005834 0.65741883 0.01523286
0.69460269 0.78046631 0.02742661
0.32736861 0.39364766 0.34947747
0.35420517 0.22406720 0.24240979
0.12553223 0.81093442 0.93541080
0.01865796 0.67542254 -0.02765259
0.96885376 0.77359958 0.90786017
0.87556423 0.79149286 0.87422223
0.84629783 0.89785760 0.82051299
0.72129592 0.84430976 0.72276523
0.63691682 0.79509839 0.73432202
0.60434599 0.71546139 0.66855583
0.65734569 0.68848173 0.59178770
0.64590917 0.60433339 0.51341352
0.78080474 0.70053169 0.49252224
0.73936906 0.74228935 0.58036948
0.77354859 0.81954862 0.64447454
0.90829936 0.98174786 0.80043482
0.00306158 0.96037988 0.83341221
0.03221062 0.85552904 0.88737501
0.84712891 0.25679372 0.34488564
0.76196650 0.37810749 0.46522429
0.74531583 0.69480495 0.28278039
0.83336858 0.57343490 0.16377043
0.20156827 0.20178288 0.13850175
0.03008332 0.20338019 0.11446354
-0.01010750 0.50016830 0.29973659
0.15895187 0.50223174 0.32115508
0.44001442 0.69764398 0.14679513
0.38157368 0.57070522 0.26859780
0.30632054 0.32328433 0.05673919
0.36719126 0.45082923 0.93509266
0.61595494 0.95752035 0.02593756
0.46073421 0.88161845 -0.01474991
0.59892929 0.51903983 0.98584379
0.75344112 0.59303645 0.02232160
0.40367042 0.38940461 0.36385389
0.30096153 0.33318155 0.40099575
0.29705381 0.48581722 0.36272612
0.42945643 0.22349597 0.26188114
0.34777037 0.18904894 0.17129114
0.32565885 0.16168437 0.29104919
0.82645604 0.72722109 0.88926106
0.59931571 0.81666338 0.79689786
0.54008714 0.67450519 0.67830220
0.83842670 0.85843087 0.63464967
0.88120199 0.06184187 0.75689280
0.05236258 0.02406395 0.81684648
0.16164517 0.65337875 0.02641812
0.76196932 0.81342114 0.04601461
0.90294186 0.34451021 0.18797294
0.43627469 0.65377463 0.96214842
0.19949202 0.85512226 0.93580619
0.98720048 0.59004279 0.00949353
0.75204286 0.92268161 0.78887952
0.58639642 0.53603997 0.49893561
0.85142476 0.72819465 0.45791131
0.11110494 0.70334731 0.98393709
0.72157813 0.61750414 0.45579808
No title
1
14.322184 0.754672 -0.478513
0.712662 11.117783 0.150701
-0.491865 0.254590 14.204634
C H O N
43 30 7 2
Direct configuration= 284
0.75028209 0.54292999 0.38091295
0.77538194 0.41881295 0.39812698
0.82297385 0.35135182 0.33153506
0.76626759 0.59829703 0.29494988
0.81464559 0.53082498 0.22862305
0.84583092 0.40901045 0.24897608
-0.00130890 0.35070038 0.20442179
0.05955889 0.26820469 0.15900316
0.15655685 0.26902431 0.17293378
0.03564339 0.43469119 0.26306320
0.13303335 0.43491683 0.27501624
0.19636118 0.35209630 0.23162339
0.30350704 0.35260965 0.24901862
0.33895464 0.43565141 0.17374715
0.37761875 0.54187858 0.19618644
0.41116947 0.61473613 0.12751203
0.33429910 0.40574367 0.07812516
0.36777459 0.47700581 0.00852023
0.40592958 0.58248751 0.03350026
0.52172081 0.69734495 -0.01664997
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0.61222902 0.86248609 0.01537888
0.60367274 0.61539958 -0.00584722
0.68990539 0.65802942 0.01509178
0.69431552 0.78133274 0.02686065
0.32775016 0.39304982 0.34953536
0.35444165 0.22342389 0.24227410
0.12580127 0.81160562 0.93591956
0.01926491 0.67500973 -0.02779963
0.96925240 0.77378326 0.90778993
0.87578635 0.79182665 0.87396162
0.84636862 0.89851854 0.82046294
0.72132268 0.84489172 0.72261909
0.63663595 0.79585176 0.73399049
0.60409148 0.71622738 0.66838067
0.65737695 0.68865319 0.59178029
0.64587506 0.60429350 0.51353200
0.78097609 0.70025374 0.49284068
0.73955661 0.74230369 0.58045429
0.77382094 0.81977789 0.64451167
0.90810745 0.98284274 0.80089267
0.00283363 0.96177617 0.83435859
0.03226335 0.85612101 0.88786571
0.84676309 0.25574525 0.34485804
0.76197646 0.37737026 0.46509011
0.74537458 0.69499036 0.28254286
0.83316990 0.57341459 0.16337494
0.20150730 0.20105372 0.13839566
0.02984294 0.20270713 0.11438485
-0.01018178 0.49917180 0.30008040
0.15907986 0.50123764 0.32161457
0.44108938 0.69670651 0.14696136
0.38261817 0.56979651 0.26885544
0.30506884 0.32377310 0.05633270
0.36609663 0.45157498 0.93471314
0.61544327 0.95870390 0.02488693
0.46028670 0.88269581 -0.01550061
0.59895961 0.51909375 0.98606703
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0.30140927 0.33255638 0.40126748
0.29765339 0.48555426 0.36291113
0.42995905 0.22259768 0.26180106
0.34783921 0.18837664 0.17113772
0.32635912 0.16068780 0.29105110
0.82667901 0.72724771 0.88895153
0.59932381 0.81743120 0.79666921
0.53982889 0.67541744 0.67797220
0.83869676 0.85865506 0.63486739
0.88083696 0.06325169 0.75745574
0.05209824 0.02587725 0.81859942
0.16216184 0.65302447 0.02652323
0.76168228 0.81444723 0.04565181
0.90273761 0.34386160 0.18770135
0.43587364 0.65411484 0.96196328
0.19951205 0.85642485 0.93646863
0.98796426 0.58930660 0.00905534
0.75203767 0.92367820 0.78866641
0.58645991 0.53579283 0.49901218
0.85169314 0.72759219 0.45825594
0.11167311 0.70323380 0.98398489
0.72169503 0.61717161 0.45588928
No title
1
14.316459 0.759830 -0.488931
0.717153 11.104223 0.155667
-0.502527 0.261218 14.196601
C H O N
43 30 7 2
Direct configuration= 285
0.75024259 0.54270938 0.38090996
0.77525312 0.41849542 0.39796320
0.82284798 0.35083052 0.33142171
0.76613371 0.59811836 0.29491797
0.81452514 0.53064828 0.22849914
0.84560013 0.40850036 0.24877017
-0.00141616 0.35013970 0.20444383
0.05943592 0.26765572 0.15904757
0.15655335 0.26853438 0.17308624
0.03567130 0.43396341 0.26327576
0.13307327 0.43417106 0.27524592
0.19627964 0.35156576 0.23177345
0.30347830 0.35211583 0.24894778
0.33883786 0.43541809 0.17365644
0.37801651 0.54139634 0.19635988
0.41156116 0.61443794 0.12758669
0.33371507 0.40591640 0.07793214
0.36710959 0.47750035 0.00828907
0.40581672 0.58246165 0.03335630
0.52154248 0.69779253 -0.01677226
0.52486609 0.82182996 -0.00743055
0.61184526 0.86341127 0.01483118
0.60345652 0.61582325 -0.00593838
0.68984109 0.65830245 0.01496300
0.69421177 0.78218617 0.02650074
0.32811201 0.39252268 0.34966300
0.35476674 0.22286190 0.24222429
0.12597236 0.81189993 0.93645615
0.01982917 0.67492697 -0.02804238
0.96945314 0.77383024 0.90781356
0.87597533 0.79190540 0.87378546
0.84638047 0.89909890 0.82042675
0.72119076 0.84537677 0.72245921
0.63662293 0.79653777 0.73382446
0.60395690 0.71677627 0.66814718
0.65743319 0.68889640 0.59180221
0.64592921 0.60435948 0.51359190
0.78114253 0.69991450 0.49302766
0.73965663 0.74228831 0.58042850
0.77396273 0.81996451 0.64459582
0.90798514 0.98385411 0.80115619
0.00266636 0.96293485 0.83506106
0.03228966 0.85689624 0.88820392
0.84650720 0.25478878 0.34484581
0.76191407 0.37663397 0.46515389
0.74543385 0.69506874 0.28233059
0.83299541 0.57331060 0.16318059
0.20151745 0.20037750 0.13824326
0.02963014 0.20201087 0.11419509
-0.01022186 0.49841367 0.30033947
0.15920520 0.50051500 0.32198812
0.44196993 0.69602188 0.14714151
0.38348350 0.56908475 0.26912386
0.30406354 0.32425174 0.05607452
0.36515872 0.45219472 0.93454538
0.61504083 0.95967402 0.02403171
0.45987740 0.88360789 -0.01609784
0.59898195 0.51921593 0.98626090
0.75336576 0.59346883 0.02261412
0.40476890 0.38760001 0.36421041
0.30173515 0.33202232 0.40149005
0.29812640 0.48531313 0.36301191
0.43035283 0.22193132 0.26171415
0.34788393 0.18784004 0.17102722
0.32688631 0.15985918 0.29107579
0.82687265 0.72730254 0.88870765
0.59924471 0.81810199 0.79652259
0.53958230 0.67612268 0.67773859
0.83902192 0.85890932 0.63500727
0.88060123 0.06438533 0.75799992
0.05188372 0.02732696 0.82000517
0.16270809 0.65267488 0.02661528
0.76135746 0.81522028 0.04530827
0.90256369 0.34340648 0.18765703
0.43554072 0.65434208 0.96191549
0.19959240 0.85749373 0.93701950
0.98847892 0.58847225 0.00877859
0.75191908 0.92437909 0.78851411
0.58638299 0.53548974 0.49908433
0.85188688 0.72714394 0.45860570
0.11218332 0.70324003 0.98400654
0.72172601 0.61693609 0.45600869
No title
1
14.314944 0.761196 -0.491690
0.718341 11.100633 0.156981
-0.505350 0.262972 14.194474
C H O N
43 30 7 2
Direct configuration= 286
0.75023215 0.54265091 0.38090918
0.77521900 0.41841130 0.39791982
0.82281468 0.35069237 0.33139171
0.76609827 0.59807102 0.29490951
0.81449323 0.53060149 0.22846631
0.84553901 0.40836521 0.24871563
-0.00144451 0.34999109 0.20444970
0.05940342 0.26751022 0.15905937
0.15655250 0.26840449 0.17312668
0.03567882 0.43377046 0.26333215
0.13308397 0.43397333 0.27530685
0.19625813 0.35142511 0.23181323
0.30347073 0.35198495 0.24892906
0.33880694 0.43535628 0.17363241
0.37812194 0.54126843 0.19640594
0.41166495 0.61435883 0.12760658
0.33356033 0.40596230 0.07788088
0.36693337 0.47763156 0.00822765
0.40578680 0.58245483 0.03331815
0.52149518 0.69791121 -0.01680473
0.52476134 0.82199443 -0.00759394
0.61174341 0.86365665 0.01468593
0.60339919 0.61593560 -0.00596262
0.68982400 0.65837486 0.01492885
0.69418412 0.78241247 0.02640529
0.32820793 0.39238288 0.34969694
0.35485289 0.22271290 0.24221121
0.12601776 0.81197783 0.93659830
0.01997857 0.67490500 -0.02810656
0.96950630 0.77384266 0.90781986
0.87602534 0.79192628 0.87373882
0.84638355 0.89925274 0.82041710
0.72115573 0.84550539 0.72241679
0.63661937 0.79671964 0.73378041
0.60392115 0.71692182 0.66808525
0.65744807 0.68896086 0.59180800
0.64594356 0.60437695 0.51360777
0.78118669 0.69982453 0.49307726
0.73968312 0.74228422 0.58042168
0.77400028 0.82001395 0.64461812
0.90795269 0.98412217 0.80122587
0.00262209 0.96324188 0.83524699
0.03229662 0.85710167 0.88829344
0.84643952 0.25453529 0.34484262
0.76189763 0.37643880 0.46517085
0.74544949 0.69508955 0.28227437
0.83294916 0.57328309 0.16312909
0.20152017 0.20019828 0.13820296
0.02957381 0.20182638 0.11414484
-0.01023235 0.49821267 0.30040817
0.15923855 0.50032337 0.32208717
0.44220325 0.69584025 0.14718947
0.38371282 0.56889592 0.26919521
0.30379717 0.32437879 0.05600588
0.36491021 0.45235916 0.93450069
0.61493396 0.95993138 0.02380499
0.45976877 0.88384982 -0.01625621
0.59898790 0.51924828 0.98631224
0.75335611 0.59353960 0.02264728
0.40490243 0.38738871 0.36424800
0.30182156 0.33188067 0.40154913
0.29825172 0.48524913 0.36303872
0.43045717 0.22175465 0.26169127
0.34789581 0.18769782 0.17099801
0.32702602 0.15963946 0.29108252
0.82692388 0.72731709 0.88864309
0.59922366 0.81827983 0.79648366
0.53951686 0.67630969 0.67767658
0.83910805 0.85897665 0.63504436
0.88053880 0.06468576 0.75814391
0.05182705 0.02771101 0.82037736
0.16285282 0.65258212 0.02663981
0.76127128 0.81542530 0.04521713
0.90251766 0.34328587 0.18764530
0.43545251 0.65440237 0.96190274
0.19961369 0.85777695 0.93716534
0.98861525 0.58825107 0.00870546
0.75188757 0.92456492 0.78847367
0.58636266 0.53540940 0.49910346
0.85193831 0.72702504 0.45869843
0.11231846 0.70324160 0.98401238
0.72173426 0.61687364 0.45604035
No title
1
14.308497 0.764565 -0.501393
0.721480 11.086296 0.162620
-0.515359 0.270463 14.186360
C H O N
43 30 7 2
Direct configuration= 287
0.75015541 0.54253117 0.38089536
0.77514881 0.41798205 0.39780944
0.82270807 0.35008480 0.33119867
0.76606395 0.59794952 0.29476506
0.81439282 0.53044041 0.22827634
0.84524675 0.40792753 0.24851055
-0.00152458 0.34950703 0.20446137
0.05928789 0.26691575 0.15906830
0.15649952 0.26783600 0.17324037
0.03572771 0.43301650 0.26351778
0.13308674 0.43328799 0.27561609
0.19612958 0.35089181 0.23194789
0.30356019 0.35151536 0.24889718
0.33861379 0.43508574 0.17347874
0.37855533 0.54084599 0.19649496
0.41195046 0.61396981 0.12768007
0.33300545 0.40615051 0.07761209
0.36619616 0.47806311 0.00796532
0.40568075 0.58244196 0.03318776
0.52124918 0.69832438 -0.01686266
0.52443628 0.82257084 -0.00822261
0.61140261 0.86440140 0.01411876
0.60327987 0.61620876 -0.00610202
0.68974294 0.65881338 0.01480477
0.69394068 0.78310419 0.02606638
0.32860806 0.39181956 0.34987038
0.35523754 0.22207722 0.24220207
0.12633508 0.81246561 0.93710710
0.02034796 0.67442883 -0.02819740
0.96967893 0.77397081 0.90785630
0.87619342 0.79192478 0.87356933
0.84635365 0.89985780 0.82038766
0.72103625 0.84609717 0.72224453
0.63663453 0.79735538 0.73368801
0.60387069 0.71745770 0.66784571
0.65746759 0.68922604 0.59178712
0.64581967 0.60419707 0.51356520
0.78131873 0.69938814 0.49321230
0.73981146 0.74239074 0.58045420
0.77409696 0.82017151 0.64463610
0.90783612 0.98509288 0.80148324
0.00249154 0.96441480 0.83588898
0.03230603 0.85786870 0.88870654
0.84618823 0.25363561 0.34481925
0.76179566 0.37567883 0.46524101
0.74551896 0.69505228 0.28206632
0.83275734 0.57310133 0.16307351
0.20151239 0.19957768 0.13806869
0.02940373 0.20110861 0.11392187
-0.01024007 0.49748860 0.30064868
0.15936188 0.49962461 0.32242975
0.44310627 0.69526573 0.14741707
0.38459307 0.56818362 0.26950755
0.30278936 0.32490345 0.05579915
0.36391286 0.45298377 0.93437997
0.61452839 0.96099408 0.02295217
0.45931990 0.88475193 -0.01685491
0.59898352 0.51951452 0.98651838
0.75334271 0.59389259 0.02275818
0.40537843 0.38660662 0.36434321
0.30212501 0.33133572 0.40175842
0.29873135 0.48492397 0.36308729
0.43083646 0.22116906 0.26157550
0.34794504 0.18717190 0.17091687
0.32752384 0.15880669 0.29111692
0.82711847 0.72737867 0.88839714
0.59908708 0.81900286 0.79633673
0.53925662 0.67699190 0.67746186
0.83943048 0.85923452 0.63517134
0.88031179 0.06594657 0.75870108
0.05162363 0.02918995 0.82175144
0.16349907 0.65220872 0.02671053
0.76100859 0.81622494 0.04486314
0.90235329 0.34285261 0.18771709
0.43520023 0.65465462 0.96191183
0.19955062 0.85865822 0.93777426
0.98928608 0.58778718 0.00824942
0.75170448 0.92514076 0.78833715
0.58641825 0.53533091 0.49925609
0.85219809 0.72662421 0.45906430
0.11288735 0.70319671 0.98409815
0.72171731 0.61665682 0.45617735
No title
1
14.306778 0.765463 -0.503981
0.722317 11.082473 0.164124
-0.518028 0.272460 14.184197
C H O N
43 30 7 2
Direct configuration= 288
0.75013494 0.54249920 0.38089168
0.77513010 0.41786744 0.39778001
0.82267963 0.34992259 0.33114721
0.76605477 0.59791710 0.29472651
0.81436600 0.53039744 0.22822565
0.84516876 0.40781070 0.24845582
-0.00154591 0.34937777 0.20446452
0.05925711 0.26675700 0.15907073
0.15648545 0.26768417 0.17327077
0.03574086 0.43281511 0.26356741
0.13308760 0.43310490 0.27569870
0.19609535 0.35074938 0.23198386
0.30358409 0.35138995 0.24888874
0.33856224 0.43501354 0.17343773
0.37867103 0.54073311 0.19651885
0.41202669 0.61386587 0.12769978
0.33285731 0.40620088 0.07754023
0.36599936 0.47817849 0.00789513
0.40565242 0.58243856 0.03315295
0.52118349 0.69843476 -0.01687822
0.52434937 0.82272493 -0.00839050
0.61131150 0.86460044 0.01396726
0.60324798 0.61628174 -0.00613927
0.68972125 0.65893053 0.01477159
0.69387559 0.78328901 0.02597582
0.32871491 0.39166904 0.34991681
0.35534023 0.22190742 0.24219977
0.12641982 0.81259575 0.93724289
0.02044655 0.67430165 -0.02822151
0.96972499 0.77400500 0.90786604
0.87623823 0.79192439 0.87352413
0.84634561 0.90001940 0.82037973
0.72100429 0.84625526 0.72219847
0.63663850 0.79752518 0.73366328
0.60385714 0.71760087 0.66778172
0.65747277 0.68929686 0.59178152
0.64578661 0.60414905 0.51355384
0.78135402 0.69927156 0.49324841
0.73984571 0.74241917 0.58046289
0.77412275 0.82021358 0.64464089
0.90780499 0.98535208 0.80155180
0.00245675 0.96472793 0.83606015
0.03230856 0.85807346 0.88881670
0.84612124 0.25339537 0.34481306
0.76176852 0.37547587 0.46525981
0.74553745 0.69504236 0.28201081
0.83270616 0.57305282 0.16305867
0.20151034 0.19941197 0.13803293
0.02935836 0.20091698 0.11386242
-0.01024203 0.49729519 0.30071294
0.15939492 0.49943793 0.32252128
0.44334733 0.69511217 0.14747804
0.38482808 0.56799325 0.26959115
0.30252035 0.32504371 0.05574373
0.36364665 0.45315069 0.93434750
0.61441991 0.96127809 0.02272439
0.45919992 0.88499301 -0.01701487
0.59898238 0.51958559 0.98657336
0.75333912 0.59398684 0.02278773
0.40550553 0.38639770 0.36436880
0.30220607 0.33119011 0.40181439
0.29885937 0.48483707 0.36310037
0.43093770 0.22101266 0.26154475
0.34795820 0.18703145 0.17089528
0.32765675 0.15858423 0.29112628
0.82717034 0.72739514 0.88833153
0.59905055 0.81919599 0.79629741
0.53918708 0.67717416 0.67740443
0.83951653 0.85930333 0.63520526
0.88025122 0.06628320 0.75884958
0.05156951 0.02958466 0.82211794
0.16367156 0.65210892 0.02672957
0.76093836 0.81643858 0.04476853
0.90230948 0.34273691 0.18773627
0.43513290 0.65472200 0.96191419
0.19953384 0.85889345 0.93793665
0.98946503 0.58766332 0.00812790
0.75165555 0.92529458 0.78830062
0.58643312 0.53530991 0.49929684
0.85226751 0.72651707 0.45916203
0.11303917 0.70318465 0.98412115
0.72171283 0.61659890 0.45621393
No title
1
14.301303 0.768445 -0.512637
0.725148 11.069069 0.169229
-0.526990 0.279231 14.176456
C H O N
43 30 7 2
Direct configuration= 289
0.75006238 0.54237254 0.38084067
0.77511695 0.41728800 0.39782199
0.82251674 0.34928761 0.33101918
0.76612456 0.59784698 0.29451363
0.81422179 0.53018282 0.22813306
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-0.00161137 0.34894197 0.20446102
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0.03569661 0.43222180 0.26375779
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0.19611884 0.35019685 0.23209427
0.30377817 0.35097408 0.24896673
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0.41227327 0.61355845 0.12772525
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0.36530576 0.47851482 0.00772415
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0.52404424 0.82335900 -0.00892132
0.61105319 0.86517479 0.01341582
0.60326969 0.61654109 -0.00625550
0.68958885 0.65951490 0.01465591
0.69351895 0.78371275 0.02568445
0.32906784 0.39114268 0.35003764
0.35562307 0.22128008 0.24219869
0.12648121 0.81313343 0.93761839
0.02086492 0.67414822 -0.02839565
0.96993047 0.77424868 0.90790069
0.87635674 0.79208730 0.87331111
0.84629423 0.90049708 0.82038644
0.72100156 0.84689154 0.72204171
0.63653352 0.79794889 0.73359384
0.60382220 0.71809187 0.66768064
0.65742244 0.68948179 0.59163978
0.64576182 0.60413178 0.51359372
0.78146662 0.69892509 0.49338495
0.73997229 0.74255398 0.58051692
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0.00237474 0.96569925 0.83662913
0.03232520 0.85857433 0.88934227
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0.76166514 0.37484606 0.46520048
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0.83255030 0.57289098 0.16303593
0.20143440 0.19900018 0.13798863
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0.15949316 0.49881945 0.32279873
0.44414034 0.69460023 0.14769579
0.38563131 0.56730592 0.26982959
0.30158629 0.32549424 0.05557417
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0.45882347 0.88570064 -0.01756242
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0.43131021 0.22057162 0.26141689
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0.32808790 0.15783032 0.29116695
0.82730188 0.72737819 0.88810880
0.59889519 0.81989949 0.79613001
0.53900744 0.67779987 0.67721063
0.83968598 0.85946241 0.63532353
0.88002235 0.06762779 0.75932255
0.05141872 0.03101037 0.82329854
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0.76078246 0.81720088 0.04444238
0.90220557 0.34230837 0.18782616
0.43499759 0.65501650 0.96193085
0.19964611 0.85966117 0.93856720
0.99004906 0.58707131 0.00775461
0.75150789 0.92573786 0.78822476
0.58635165 0.53516333 0.49943563
0.85255421 0.72614780 0.45948593
0.11352273 0.70300532 0.98427892
0.72170359 0.61636113 0.45623559
No title
1
14.298210 0.770130 -0.517528
0.726748 11.061495 0.172113
-0.532054 0.283056 14.172083
C H O N
43 30 7 2
Direct configuration= 290
0.75002136 0.54230091 0.38081183
0.77510962 0.41696018 0.39784584
0.82242471 0.34892846 0.33094689
0.76616393 0.59780738 0.29439331
0.81414028 0.53006146 0.22808071
0.84476161 0.40736994 0.24822173
-0.00164832 0.34869544 0.20445912
0.05904840 0.26569242 0.15890532
0.15633945 0.26655544 0.17321252
0.03567176 0.43188608 0.26386553
0.13308360 0.43229626 0.27628215
0.19613225 0.34988423 0.23215683
0.30388797 0.35073875 0.24901097
0.33829345 0.43478742 0.17323832
0.37921350 0.54000704 0.19661622
0.41241271 0.61338448 0.12773981
0.33205605 0.40655588 0.07718493
0.36491357 0.47870528 0.00762716
0.40546649 0.58252225 0.03314255
0.52074350 0.69882106 -0.01695145
0.52387147 0.82371796 -0.00922167
0.61090688 0.86549997 0.01310384
0.60328188 0.61668786 -0.00632126
0.68951388 0.65984556 0.01459033
0.69331717 0.78395265 0.02551950
0.32926747 0.39084479 0.35010619
0.35578305 0.22092512 0.24219831
0.12651598 0.81343746 0.93783059
0.02110137 0.67406141 -0.02849392
0.97004659 0.77438648 0.90792031
0.87642362 0.79217952 0.87319069
0.84626512 0.90076733 0.82039010
0.72099986 0.84725155 0.72195295
0.63647408 0.79818865 0.73355445
0.60380234 0.71836969 0.66762337
0.65739390 0.68958648 0.59155959
0.64574783 0.60412201 0.51361626
0.78153038 0.69872900 0.49346226
0.74004384 0.74263020 0.58054748
0.77438060 0.82059919 0.64455577
0.90757730 0.98655656 0.80199396
0.00232845 0.96624855 0.83695056
0.03233472 0.85885749 0.88963930
0.84576082 0.25233669 0.34472176
0.76160678 0.37448981 0.46516705
0.74563126 0.69490651 0.28171149
0.83246222 0.57279946 0.16302306
0.20139152 0.19876724 0.13796365
0.02925437 0.20003526 0.11361334
-0.01017461 0.49627452 0.30100211
0.15954890 0.49846943 0.32295576
0.44458876 0.69431039 0.14781928
0.38608554 0.56691685 0.26996483
0.30105815 0.32574935 0.05547788
0.36211653 0.45399169 0.93402080
0.61383176 0.96277899 0.02150654
0.45861036 0.88610124 -0.01787227
0.59891225 0.52001114 0.98685698
0.75335917 0.59463915 0.02290917
0.40612764 0.38530554 0.36443794
0.30261539 0.33039445 0.40208484
0.29956637 0.48420293 0.36309124
0.43152080 0.22032209 0.26134483
0.34806365 0.18630113 0.17084759
0.32833174 0.15740372 0.29119025
0.82737615 0.72736866 0.88798293
0.59880719 0.82029757 0.79603517
0.53890573 0.67815396 0.67710087
0.83978179 0.85955233 0.63539042
0.87989294 0.06838833 0.75958957
0.05133372 0.03181651 0.82396563
0.16474380 0.65158022 0.02677143
0.76069409 0.81763229 0.04425777
0.90214693 0.34206591 0.18787703
0.43492107 0.65518312 0.96194016
0.19970969 0.86009522 0.93892356
0.99037914 0.58673643 0.00754391
0.75142433 0.92598868 0.78818172
0.58630568 0.53508037 0.49951410
0.85271645 0.72593871 0.45966922
0.11379615 0.70290372 0.98436833
0.72169842 0.61622662 0.45624789
No title
1
14.290546 0.773238 -0.527015
0.729703 11.045821 0.177917
-0.541864 0.290739 14.162706
C H O N
43 30 7 2
Direct configuration= 291
0.75004431 0.54184279 0.38065119
0.77510605 0.41641282 0.39782548
0.82208629 0.34838105 0.33091523
0.76622763 0.59765607 0.29437626
0.81393979 0.52979268 0.22798624
0.84457730 0.40689976 0.24821710
-0.00168668 0.34808536 0.20442464
0.05890350 0.26499242 0.15879461
0.15619498 0.26585758 0.17319457
0.03561737 0.43128966 0.26407481
0.13314495 0.43153767 0.27657470
0.19621964 0.34919115 0.23228345
0.30411622 0.35021454 0.24913925
0.33818471 0.43473607 0.17323718
0.37952155 0.53942221 0.19673841
0.41277713 0.61323925 0.12782509
0.33137139 0.40677853 0.07706239
0.36422829 0.47917164 0.00745840
0.40525844 0.58262621 0.03316033
0.52059964 0.69914185 -0.01702851
0.52349847 0.82432623 -0.00974028
0.61052772 0.86634696 0.01245609
0.60319339 0.61719511 -0.00641334
0.68943681 0.66022502 0.01445607
0.69316034 0.78465766 0.02530168
0.32963716 0.39020330 0.35017147
0.35605345 0.22029455 0.24220969
0.12665158 0.81402286 0.93832082
0.02170120 0.67398756 -0.02865390
0.97023062 0.77466743 0.90797708
0.87653719 0.79247283 0.87297380
0.84617935 0.90124158 0.82041597
0.72097365 0.84782497 0.72173072
0.63640505 0.79866839 0.73342344
0.60368726 0.71877833 0.66754089
0.65733160 0.68988272 0.59141207
0.64572378 0.60414334 0.51370060
0.78177758 0.69855406 0.49361256
0.74008129 0.74261933 0.58051752
0.77453873 0.82104647 0.64454838
0.90741884 0.98752155 0.80231944
0.00224935 0.96712113 0.83763439
0.03237204 0.85953346 0.89021148
0.84553650 0.25163239 0.34460789
0.76147298 0.37380049 0.46505265
0.74567406 0.69491282 0.28146319
0.83233613 0.57267147 0.16294407
0.20131643 0.19831992 0.13792820
0.02921653 0.19942715 0.11343119
-0.01015009 0.49562657 0.30121510
0.15966754 0.49789340 0.32330866
0.44538605 0.69363525 0.14803083
0.38696887 0.56605592 0.27008616
0.29999583 0.32619660 0.05528620
0.36094553 0.45456264 0.93363999
0.61342619 0.96363089 0.02062344
0.45822765 0.88676253 -0.01849709
0.59884381 0.52019767 0.98703507
0.75333356 0.59530305 0.02295520
0.40654760 0.38453512 0.36446349
0.30291034 0.32981659 0.40224873
0.30006989 0.48369111 0.36304584
0.43193961 0.21990219 0.26117398
0.34816607 0.18577492 0.17082847
0.32879027 0.15654120 0.29127027
0.82751517 0.72729911 0.88771197
0.59860069 0.82111823 0.79581615
0.53880089 0.67886299 0.67688214
0.83990049 0.85967355 0.63550178
0.87964060 0.06994767 0.76014313
0.05116234 0.03344524 0.82519362
0.16560264 0.65119442 0.02676531
0.76040853 0.81840187 0.04384076
0.90204840 0.34154147 0.18791654
0.43473819 0.65547403 0.96194649
0.19981296 0.86083564 0.93967963
0.99099652 0.58596622 0.00712385
0.75135312 0.92650014 0.78819349
0.58614493 0.53492836 0.49968104
0.85297917 0.72543388 0.46003765
0.11418258 0.70280646 0.98447090
0.72173881 0.61599878 0.45617363
No title
1
14.287326 0.774544 -0.531001
0.730944 11.039236 0.180356
-0.545986 0.293968 14.158766
C H O N
43 30 7 2
Direct configuration= 292
0.75005397 0.54165006 0.38058373
0.77510461 0.41618250 0.39781701
0.82194407 0.34815076 0.33090192
0.76625442 0.59759240 0.29436914
0.81385550 0.52967964 0.22794650
0.84449987 0.40670194 0.24821518
-0.00170274 0.34782866 0.20441025
0.05884264 0.26469792 0.15874814
0.15613432 0.26556396 0.17318712
0.03559465 0.43103863 0.26416290
0.13317093 0.43121835 0.27669787
0.19625651 0.34889946 0.23233685
0.30421229 0.34999387 0.24919335
0.33813899 0.43471448 0.17323668
0.37965118 0.53917603 0.19678999
0.41293039 0.61317806 0.12786108
0.33108348 0.40687235 0.07701063
0.36394007 0.47936804 0.00738715
0.40517097 0.58266998 0.03316772
0.52053910 0.69927689 -0.01706102
0.52334142 0.82458241 -0.00995856
0.61036800 0.86670363 0.01218346
0.60315609 0.61740860 -0.00645218
0.68940432 0.66038475 0.01439953
0.69309424 0.78495441 0.02520991
0.32979269 0.38993329 0.35019914
0.35616721 0.22002918 0.24221467
0.12670868 0.81426902 0.93852687
0.02195335 0.67395645 -0.02872098
0.97030797 0.77478561 0.90800095
0.87658484 0.79259631 0.87288258
0.84614324 0.90144115 0.82042674
0.72096249 0.84806633 0.72163716
0.63637593 0.79887031 0.73336824
0.60363879 0.71895032 0.66750610
0.65730532 0.69000744 0.59134997
0.64571370 0.60415229 0.51373605
0.78188158 0.69848037 0.49367586
0.74009702 0.74261476 0.58050493
0.77460516 0.82123466 0.64454524
0.90735220 0.98792752 0.80245607
0.00221620 0.96748810 0.83792175
0.03238782 0.85981771 0.89045196
0.84544223 0.25133609 0.34456007
0.76141678 0.37351048 0.46500464
0.74569197 0.69491555 0.28135880
0.83228311 0.57261765 0.16291085
0.20128491 0.19813171 0.13791336
0.02920064 0.19917133 0.11335470
-0.01013964 0.49535384 0.30130478
0.15971760 0.49765088 0.32345719
0.44572141 0.69335098 0.14812013
0.38734039 0.56569347 0.27013760
0.29954908 0.32638502 0.05520521
0.36045301 0.45480318 0.93347942
0.61325529 0.96398970 0.02025185
0.45806647 0.88704106 -0.01876004
0.59881506 0.52027611 0.98710990
0.75332273 0.59558241 0.02297443
0.40672427 0.38421086 0.36447450
0.30303447 0.32957333 0.40231783
0.30028163 0.48347569 0.36302700
0.43211569 0.21972549 0.26110234
0.34820919 0.18555348 0.17082055
0.32898318 0.15617816 0.29130421
0.82757353 0.72726991 0.88759809
0.59851370 0.82146366 0.79572384
0.53875665 0.67916144 0.67679001
0.83995041 0.85972451 0.63554862
0.87953449 0.07060369 0.76037552
0.05109047 0.03413023 0.82570961
0.16596377 0.65103195 0.02676306
0.76028824 0.81872587 0.04366519
0.90200705 0.34132078 0.18793322
0.43466127 0.65559646 0.96194904
0.19985652 0.86114695 0.93999744
0.99125605 0.58564217 0.00694755
0.75132311 0.92671536 0.78819833
0.58607741 0.53486437 0.49975122
0.85308980 0.72522130 0.46019274
0.11434509 0.70276545 0.98451416
0.72175580 0.61590292 0.45614247
No title
1
14.280557 0.776488 -0.539262
0.732938 11.025267 0.185335
-0.554560 0.300595 14.149961
C H O N
43 30 7 2
Direct configuration= 293
0.75009601 0.54120829 0.38052844
0.77504449 0.41578262 0.39777713
0.82164953 0.34766103 0.33088993
0.76627310 0.59744205 0.29442521
0.81370370 0.52941574 0.22785195
0.84442539 0.40620364 0.24827607
-0.00175042 0.34729170 0.20443202
0.05875130 0.26420689 0.15870414
0.15606606 0.26514526 0.17326392
0.03561913 0.43043795 0.26427359
0.13328001 0.43050411 0.27687979
0.19631712 0.34823815 0.23244482
0.30433860 0.34949923 0.24925740
0.33805160 0.43454627 0.17333241
0.37996678 0.53886793 0.19685193
0.41321498 0.61292658 0.12801550
0.33044437 0.40712086 0.07696087
0.36335288 0.47969845 0.00721263
0.40498990 0.58289096 0.03318165
0.52042361 0.69973717 -0.01718026
0.52305814 0.82501840 -0.01033910
0.61005479 0.86741487 0.01162185
0.60302989 0.61771720 -0.00649291
0.68937001 0.66081192 0.01430926
0.69295622 0.78565279 0.02501346
0.33010002 0.38931617 0.35023608
0.35642533 0.21953153 0.24224258
0.12689074 0.81471556 0.93902047
0.02234417 0.67359192 -0.02871772
0.97044612 0.77499841 0.90808110
0.87668028 0.79271595 0.87281142
0.84611077 0.90200090 0.82041117
0.72092206 0.84847371 0.72147233
0.63634094 0.79932441 0.73320489
0.60358695 0.71926829 0.66739129
0.65721629 0.69031017 0.59130061
0.64562313 0.60403048 0.51370488
0.78195408 0.69831304 0.49382490
0.74015251 0.74269354 0.58052551
0.77453772 0.82152363 0.64448675
0.90722183 0.98883912 0.80276108
0.00215053 0.96837216 0.83847593
0.03243941 0.86046883 0.89091366
0.84526207 0.25074551 0.34443961
0.76128515 0.37290959 0.46491086
0.74571418 0.69497966 0.28114321
0.83220499 0.57253848 0.16280502
0.20125811 0.19767906 0.13785694
0.02915422 0.19860738 0.11315863
-0.01017301 0.49488565 0.30151820
0.15980928 0.49716416 0.32375899
0.44639206 0.69280316 0.14830468
0.38809292 0.56488173 0.27019421
0.29861059 0.32672865 0.05503878
0.35939552 0.45533021 0.93313101
0.61290929 0.96467974 0.01947987
0.45771910 0.88754745 -0.01932053
0.59874780 0.52044221 0.98724734
0.75334873 0.59618172 0.02299070
0.40708530 0.38353731 0.36449374
0.30330349 0.32905894 0.40244128
0.30070109 0.48303849 0.36296941
0.43244532 0.21938749 0.26093383
0.34831189 0.18508685 0.17079550
0.32937616 0.15541775 0.29140036
0.82773797 0.72723407 0.88732572
0.59833820 0.82218413 0.79549038
0.53864365 0.67971695 0.67661171
0.84010911 0.85985783 0.63561547
0.87933573 0.07191067 0.76090597
0.05086664 0.03544629 0.82672623
0.16664578 0.65078166 0.02664982
0.76005744 0.81938620 0.04330009
0.90188781 0.34082211 0.18792075
0.43446520 0.65579099 0.96192851
0.19994042 0.86172615 0.94068964
0.99186521 0.58517646 0.00646890
0.75126860 0.92717644 0.78822323
0.58600542 0.53487659 0.49993774
0.85347086 0.72480075 0.46043540
0.11477504 0.70273968 0.98462628
0.72180898 0.61573605 0.45607099
No title
1
14.275835 0.777844 -0.545026
0.734329 11.015521 0.188809
-0.560543 0.305219 14.143818
C H O N
43 30 7 2
Direct configuration= 294
0.75012541 0.54089970 0.38048997
0.77500257 0.41550329 0.39774936
0.82144400 0.34731898 0.33088156
0.76628619 0.59733698 0.29446440
0.81359773 0.52923145 0.22778595
0.84437350 0.40585552 0.24831868
-0.00178361 0.34691659 0.20444734
0.05868760 0.26386391 0.15867351
0.15601851 0.26485274 0.17331762
0.03563636 0.43001827 0.26435104
0.13335634 0.43000506 0.27700702
0.19635959 0.34777611 0.23252039
0.30442688 0.34915363 0.24930230
0.33799067 0.43442872 0.17339926
0.38018715 0.53865263 0.19689539
0.41341374 0.61275079 0.12812348
0.32999819 0.40729459 0.07692580
0.36294287 0.47992945 0.00709046
0.40486348 0.58304536 0.03319125
0.52034287 0.70005878 -0.01726368
0.52286016 0.82532320 -0.01060500
0.60983579 0.86791203 0.01122946
0.60294173 0.61793282 -0.00652149
0.68934596 0.66111038 0.01424611
0.69285968 0.78614077 0.02487608
0.33031466 0.38888500 0.35026216
0.35660559 0.21918383 0.24226230
0.12701799 0.81502724 0.93936503
0.02261702 0.67333720 -0.02871518
0.97054256 0.77514700 0.90813705
0.87674685 0.79279954 0.87276174
0.84608801 0.90239195 0.82040015
0.72089369 0.84875837 0.72135714
0.63631637 0.79964171 0.73309072
0.60355066 0.71949048 0.66731103
0.65715407 0.69052168 0.59126603
0.64555991 0.60394542 0.51368312
0.78200477 0.69819607 0.49392903
0.74019124 0.74274856 0.58053988
0.77449057 0.82172553 0.64444581
0.90713082 0.98947582 0.80297372
0.00210480 0.96898949 0.83886257
0.03247554 0.86092346 0.89123583
0.84513634 0.25033303 0.34435559
0.76119332 0.37248990 0.46484549
0.74572957 0.69502455 0.28099270
0.83215042 0.57248324 0.16273113
0.20123944 0.19736287 0.13781766
0.02912181 0.19821352 0.11302187
-0.01019614 0.49455848 0.30166729
0.15987349 0.49682399 0.32396986
0.44686037 0.69242027 0.14843394
0.38861836 0.56431451 0.27023426
0.29795537 0.32696894 0.05492211
0.35865711 0.45569871 0.93288718
0.61266731 0.96516221 0.01894061
0.45747628 0.88790151 -0.01971211
0.59870089 0.52055819 0.98734322
0.75336680 0.59660037 0.02300191
0.40733742 0.38306672 0.36450751
0.30349141 0.32869950 0.40252772
0.30099393 0.48273304 0.36292950
0.43267538 0.21915139 0.26081642
0.34838363 0.18476087 0.17077817
0.32965063 0.15488644 0.29146785
0.82785263 0.72720912 0.88713566
0.59821548 0.82268756 0.79532713
0.53856460 0.68010512 0.67648705
0.84021990 0.85995091 0.63566218
0.87919704 0.07282348 0.76127587
0.05071067 0.03636522 0.82743553
0.16712183 0.65060676 0.02657112
0.75989607 0.81984769 0.04304493
0.90180465 0.34047378 0.18791213
0.43432830 0.65592692 0.96191405
0.19999921 0.86213043 0.94117277
0.99229026 0.58485125 0.00613511
0.75123050 0.92749853 0.78824046
0.58595524 0.53488506 0.50006793
0.85373702 0.72450680 0.46060508
0.11507521 0.70272155 0.98470474
0.72184609 0.61561950 0.45602116
No title
1
14.269201 0.779973 -0.554465
0.736466 11.001348 0.193745
-0.570329 0.311877 14.133951
C H O N
43 30 7 2
Direct configuration= 295
0.75013341 0.54067296 0.38062557
0.77483686 0.41497363 0.39776916
0.82121883 0.34663412 0.33082454
0.76629032 0.59718440 0.29440355
0.81348144 0.52891589 0.22772137
0.84434003 0.40533728 0.24834386
-0.00189948 0.34630995 0.20452866
0.05861735 0.26338345 0.15864865
0.15607277 0.26438891 0.17338561
0.03571035 0.42934988 0.26446436
0.13350627 0.42932160 0.27723038
0.19646305 0.34706060 0.23269104
0.30446904 0.34855781 0.24931073
0.33789644 0.43412173 0.17352378
0.38055156 0.53836159 0.19693533
0.41370902 0.61236806 0.12827223
0.32926395 0.40762506 0.07687480
0.36227254 0.48024596 0.00691322
0.40463802 0.58329987 0.03314678
0.52010607 0.70054471 -0.01747059
0.52257761 0.82593059 -0.01096057
0.60958729 0.86853064 0.01064518
0.60287222 0.61814245 -0.00649502
0.68922248 0.66184171 0.01417224
0.69252824 0.78688385 0.02455948
0.33063938 0.38819009 0.35031219
0.35691605 0.21859940 0.24229766
0.12716360 0.81539110 0.93997917
0.02307809 0.67323812 -0.02883691
0.97073495 0.77531893 0.90830318
0.87690264 0.79292241 0.87276679
0.84615471 0.90310344 0.82040741
0.72082270 0.84919949 0.72131375
0.63622897 0.80019884 0.73289936
0.60354493 0.71987480 0.66714603
0.65706230 0.69077490 0.59119267
0.64560243 0.60396742 0.51361759
0.78217533 0.69799438 0.49393805
0.74021823 0.74292154 0.58057128
0.77436518 0.82200479 0.64431508
0.90700273 0.99055131 0.80336065
0.00199840 0.97019790 0.83943884
0.03253708 0.86162120 0.89172511
0.84493890 0.24964898 0.34422668
0.76102658 0.37181367 0.46476917
0.74574927 0.69508336 0.28079618
0.83208447 0.57240225 0.16260042
0.20121544 0.19683218 0.13775284
0.02906666 0.19758794 0.11279062
-0.01022994 0.49404769 0.30188761
0.15993717 0.49618047 0.32423472
0.44760701 0.69190053 0.14866025
0.38945839 0.56338278 0.27035292
0.29689529 0.32735024 0.05475558
0.35743903 0.45636420 0.93255078
0.61227619 0.96602805 0.01807310
0.45706290 0.88838782 -0.02036016
0.59861001 0.52074849 0.98747379
0.75351507 0.59720632 0.02300042
0.40774256 0.38228885 0.36453142
0.30380912 0.32807865 0.40266530
0.30143697 0.48226278 0.36284904
0.43300778 0.21878760 0.26061800
0.34851235 0.18422958 0.17074443
0.33011327 0.15404870 0.29158969
0.82805925 0.72715864 0.88679195
0.59805450 0.82348489 0.79498272
0.53836231 0.68061601 0.67630551
0.84038853 0.86010254 0.63571015
0.87899247 0.07422050 0.76192539
0.05038001 0.03772471 0.82851053
0.16781338 0.65042044 0.02632727
0.75977544 0.82066208 0.04266974
0.90162102 0.33986134 0.18787616
0.43410670 0.65615490 0.96183742
0.20022706 0.86281649 0.94199555
0.99287814 0.58398028 0.00570457
0.75111447 0.92802973 0.78818346
0.58576883 0.53482045 0.50025057
0.85410316 0.72398948 0.46091030
0.11564033 0.70271906 0.98487514
0.72187286 0.61544270 0.45602559
No title
1
14.265514 0.781156 -0.559712
0.737654 10.993470 0.196489
-0.575768 0.315577 14.128466
C H O N
43 30 7 2
Direct configuration= 296
0.75013794 0.54054672 0.38070104
0.77474478 0.41467887 0.39778022
0.82109369 0.34625302 0.33079289
0.76629261 0.59709951 0.29436974
0.81341679 0.52874031 0.22768547
0.84432149 0.40504886 0.24835796
-0.00196380 0.34597231 0.20457398
0.05857834 0.26311607 0.15863490
0.15610303 0.26413075 0.17342355
0.03575163 0.42897784 0.26452756
0.13358982 0.42894112 0.27735482
0.19652075 0.34666231 0.23278615
0.30449256 0.34822621 0.24931556
0.33784412 0.43395084 0.17359307
0.38075426 0.53819956 0.19695774
0.41387333 0.61215496 0.12835516
0.32885559 0.40780909 0.07684609
0.36189966 0.48042226 0.00681431
0.40451260 0.58344155 0.03312191
0.51997424 0.70081526 -0.01758587
0.52242027 0.82626880 -0.01115858
0.60944878 0.86887517 0.01031998
0.60283355 0.61825912 -0.00648036
0.68915370 0.66224877 0.01413095
0.69234370 0.78729757 0.02438311
0.33082007 0.38780328 0.35034029
0.35708879 0.21827409 0.24231757
0.12724478 0.81559335 0.94032075
0.02333444 0.67318297 -0.02890442
0.97084198 0.77541453 0.90839562
0.87698926 0.79299076 0.87276963
0.84619170 0.90349939 0.82041133
0.72078315 0.84944502 0.72128950
0.63618022 0.80050898 0.73279278
0.60354162 0.72008875 0.66705418
0.65701120 0.69091587 0.59115178
0.64562604 0.60397968 0.51358115
0.78227021 0.69788211 0.49394318
0.74023323 0.74301778 0.58058871
0.77429537 0.82216027 0.64424226
0.90693152 0.99114973 0.80357559
0.00193931 0.97087022 0.83975908
0.03257142 0.86200933 0.89199714
0.84482915 0.24926836 0.34415504
0.76093391 0.37143738 0.46472680
0.74576014 0.69511615 0.28068687
0.83204775 0.57235724 0.16252771
0.20120213 0.19653685 0.13771688
0.02903597 0.19723988 0.11266211
-0.01024858 0.49376334 0.30201024
0.15997278 0.49582222 0.32438220
0.44802238 0.69161108 0.14878652
0.38992568 0.56286407 0.27041943
0.29630568 0.32756266 0.05466247
0.35676145 0.45673486 0.93236306
0.61205822 0.96651030 0.01759024
0.45683269 0.88865877 -0.02072088
0.59855950 0.52085436 0.98754635
0.75359744 0.59754354 0.02299953
0.40796796 0.38185587 0.36454504
0.30398594 0.32773303 0.40274208
0.30168336 0.48200103 0.36280456
0.43319259 0.21858516 0.26050784
0.34858398 0.18393389 0.17072582
0.33037070 0.15358236 0.29165781
0.82817401 0.72713064 0.88660086
0.59796474 0.82392878 0.79479092
0.53824968 0.68090043 0.67620436
0.84048230 0.86018688 0.63573687
0.87887880 0.07499777 0.76228630
0.05019641 0.03848096 0.82910806
0.16819787 0.65031674 0.02619194
0.75970811 0.82111547 0.04246083
0.90151898 0.33952054 0.18785621
0.43398340 0.65628183 0.96179466
0.20035402 0.86319796 0.94245313
0.99320498 0.58349563 0.00546551
0.75104985 0.92832539 0.78815160
0.58566525 0.53478445 0.50035210
0.85430696 0.72370141 0.46108031
0.11595465 0.70271753 0.98497014
0.72188776 0.61534430 0.45602810
No title
1
14.257695 0.782407 -0.569828
0.739073 10.978839 0.201512
-0.586231 0.322430 14.117935
C H O N
43 30 7 2
Direct configuration= 297
0.75013668 0.54049783 0.38088033
0.77449969 0.41406346 0.39777339
0.82093886 0.34556380 0.33071439
0.76625574 0.59694550 0.29422995
0.81339210 0.52844929 0.22762524
0.84425729 0.40457740 0.24830772
-0.00211323 0.34526542 0.20467493
0.05855644 0.26255695 0.15857884
0.15619930 0.26348244 0.17338260
0.03577879 0.42840726 0.26473815
0.13369496 0.42832727 0.27760419
0.19668441 0.34600640 0.23304789
0.30452413 0.34755441 0.24933922
0.33776728 0.43368306 0.17363269
0.38104726 0.53757575 0.19707788
0.41426666 0.61191375 0.12834667
0.32804863 0.40810320 0.07675356
0.36117058 0.48085381 0.00668783
0.40420453 0.58350718 0.03297478
0.51970405 0.70108971 -0.01783163
0.52208598 0.82700417 -0.01152620
0.60915422 0.86966851 0.00975809
0.60277140 0.61864317 -0.00639043
0.68899882 0.66286508 0.01406718
0.69211014 0.78812724 0.02399105
0.33115410 0.38711338 0.35041085
0.35737879 0.21755129 0.24231206
0.12760132 0.81612567 0.94098466
0.02377808 0.67289706 -0.02895839
0.97113236 0.77564878 0.90862842
0.87720396 0.79337985 0.87274549
0.84631021 0.90409153 0.82055004
0.72072199 0.84991676 0.72132600
0.63602408 0.80115572 0.73257916
0.60341311 0.72048660 0.66687063
0.65702366 0.69103359 0.59095150
0.64558739 0.60402815 0.51354184
0.78248894 0.69770947 0.49394581
0.74017784 0.74314882 0.58043428
0.77432908 0.82261635 0.64418599
0.90681512 0.99237706 0.80405316
0.00177464 0.97204670 0.84048421
0.03260469 0.86275598 0.89246995
0.84463650 0.24837196 0.34405696
0.76071546 0.37066023 0.46475257
0.74578737 0.69511222 0.28053736
0.83197900 0.57222017 0.16243867
0.20117636 0.19596785 0.13766001
0.02901297 0.19667630 0.11246917
-0.01019056 0.49311561 0.30216414
0.16002330 0.49504161 0.32460670
0.44878616 0.69107373 0.14903478
0.39084143 0.56189210 0.27067720
0.29517873 0.32805133 0.05452862
0.35542612 0.45754189 0.93209864
0.61164293 0.96749988 0.01665309
0.45635532 0.88913724 -0.02142999
0.59846217 0.52098177 0.98766348
0.75377185 0.59825102 0.02296592
0.40838996 0.38097982 0.36457264
0.30434465 0.32699340 0.40291130
0.30212897 0.48150625 0.36270927
0.43354324 0.21820324 0.26030882
0.34873850 0.18334778 0.17069162
0.33092315 0.15272073 0.29178736
0.82839193 0.72702904 0.88619773
0.59780683 0.82477347 0.79436290
0.53802343 0.68135908 0.67601400
0.84053422 0.86029888 0.63576647
0.87864933 0.07646786 0.76301362
0.04985971 0.03996816 0.83016172
0.16900153 0.65006805 0.02592462
0.75960837 0.82203746 0.04206273
0.90130685 0.33882108 0.18782439
0.43373022 0.65659360 0.96162743
0.20053286 0.86385006 0.94338387
0.99389165 0.58262530 0.00494665
0.75094926 0.92894715 0.78800929
0.58554106 0.53479793 0.50050731
0.85465324 0.72309806 0.46140285
0.11635219 0.70282650 0.98507761
0.72188599 0.61519944 0.45616155
No title
1
14.251245 0.783440 -0.578174
0.740244 10.966768 0.205657
-0.594865 0.328083 14.109247
C H O N
43 30 7 2
Direct configuration= 298
0.75013576 0.54045733 0.38102838
0.77429744 0.41355505 0.39776780
0.82081110 0.34499445 0.33064970
0.76622524 0.59681836 0.29411454
0.81337172 0.52820889 0.22757559
0.84420434 0.40418792 0.24826634
-0.00223642 0.34468136 0.20475842
0.05853841 0.26209505 0.15853272
0.15627884 0.26294683 0.17334905
0.03580144 0.42793573 0.26491224
0.13378202 0.42781996 0.27781036
0.19681980 0.34546433 0.23326432
0.30455032 0.34699935 0.24935898
0.33770391 0.43346181 0.17366544
0.38128932 0.53706025 0.19717746
0.41459141 0.61171442 0.12833998
0.32738234 0.40834636 0.07667658
0.36056853 0.48121054 0.00658280
0.40395010 0.58356154 0.03285308
0.51948079 0.70131664 -0.01803480
0.52180965 0.82761198 -0.01183019
0.60891054 0.87032433 0.00929370
0.60272010 0.61896042 -0.00631632
0.68887082 0.66337433 0.01401424
0.69191693 0.78881298 0.02366691
0.33143002 0.38654331 0.35046954
0.35761831 0.21695409 0.24230791
0.12789603 0.81656503 0.94153292
0.02414434 0.67266081 -0.02900258
0.97137221 0.77584214 0.90882076
0.87738113 0.79370129 0.87272556
0.84640805 0.90458064 0.82066447
0.72067144 0.85030650 0.72135596
0.63589493 0.80169019 0.73240248
0.60330683 0.72081542 0.66671887
0.65703379 0.69113096 0.59078610
0.64555544 0.60406823 0.51350934
0.78266954 0.69756680 0.49394817
0.74013199 0.74325717 0.58030669
0.77435680 0.82299318 0.64413941
0.90671915 0.99339080 0.80444704
0.00163899 0.97301830 0.84108250
0.03263236 0.86337257 0.89286015
0.84447752 0.24763145 0.34397614
0.76053525 0.37001817 0.46477397
0.74580976 0.69510904 0.28041392
0.83192220 0.57210699 0.16236514
0.20115513 0.19549779 0.13761321
0.02899394 0.19621079 0.11231002
-0.01014246 0.49258037 0.30229145
0.16006528 0.49439654 0.32479235
0.44941695 0.69062952 0.14924041
0.39159774 0.56108878 0.27089092
0.29424821 0.32845530 0.05441725
0.35432344 0.45820900 0.93187924
0.61129932 0.96831807 0.01587870
0.45596069 0.88953303 -0.02201596
0.59838189 0.52108698 0.98776010
0.75391571 0.59883553 0.02293806
0.40873850 0.38025597 0.36459595
0.30464100 0.32638218 0.40305149
0.30249686 0.48109746 0.36263102
0.43383264 0.21788776 0.26014483
0.34886613 0.18286353 0.17066366
0.33137944 0.15200870 0.29189494
0.82857159 0.72694530 0.88586503
0.59767606 0.82547162 0.79400910
0.53783645 0.68173815 0.67585653
0.84057708 0.86039139 0.63579091
0.87846015 0.07768203 0.76361359
0.04958221 0.04119631 0.83103107
0.16966485 0.64986263 0.02570445
0.75952563 0.82279943 0.04173366
0.90113181 0.33824326 0.18779821
0.43352104 0.65685131 0.96148909
0.20068103 0.86438826 0.94415230
0.99445831 0.58190645 0.00451892
0.75086602 0.92946093 0.78789152
0.58543865 0.53480900 0.50063539
0.85493943 0.72259935 0.46166957
0.11668044 0.70291641 0.98516655
0.72188464 0.61507968 0.45627179
No title
1
14.245660 0.784231 -0.585629
0.741243 10.955369 0.209619
-0.602639 0.333471 14.100637
C H O N
43 30 7 2
Direct configuration= 299
0.75015826 0.54029122 0.38106537
0.77409760 0.41317124 0.39770757
0.82069518 0.34454118 0.33063185
0.76617338 0.59668032 0.29407561
0.81339619 0.52803935 0.22752571
0.84411122 0.40382725 0.24821113
-0.00228068 0.34413785 0.20484341
0.05853631 0.26164162 0.15849027
0.15630763 0.26248119 0.17334087
0.03578513 0.42744622 0.26505033
0.13380175 0.42730118 0.27795223
0.19688578 0.34495619 0.23342437
0.30464806 0.34649773 0.24943130
0.33760581 0.43322708 0.17363309
0.38156556 0.53659507 0.19726569
0.41485945 0.61147118 0.12832707
0.32678631 0.40856000 0.07656656
0.35992989 0.48150944 0.00648322
0.40375732 0.58363777 0.03274560
0.51931048 0.70159094 -0.01819137
0.52153500 0.82800174 -0.01214279
0.60862622 0.87107940 0.00888520
0.60259497 0.61923373 -0.00625527
0.68885609 0.66374407 0.01398633
0.69187782 0.78944826 0.02336070
0.33168674 0.38602174 0.35053618
0.35782458 0.21638665 0.24228053
0.12802931 0.81702468 0.94196754
0.02448314 0.67238785 -0.02902715
0.97159454 0.77611036 0.90899088
0.87754248 0.79399872 0.87272618
0.84644324 0.90508451 0.82078081
0.72070264 0.85066084 0.72129027
0.63574600 0.80214490 0.73216737
0.60317524 0.72110747 0.66652929
0.65700896 0.69120624 0.59067789
0.64546476 0.60409992 0.51352197
0.78270925 0.69744481 0.49406884
0.74015983 0.74348460 0.58018275
0.77431593 0.82326982 0.64412921
0.90660275 0.99427504 0.80488257
0.00151133 0.97384435 0.84171220
0.03272178 0.86389741 0.89325906
0.84432962 0.24686566 0.34392098
0.76034218 0.36938532 0.46484523
0.74583306 0.69508656 0.28031670
0.83187064 0.57197223 0.16232098
0.20117400 0.19500779 0.13754838
0.02899344 0.19583629 0.11219189
-0.01007568 0.49207319 0.30239890
0.16013376 0.49383092 0.32499737
0.44999260 0.69022266 0.14942332
0.39230967 0.56033770 0.27113499
0.29336806 0.32886761 0.05432818
0.35327830 0.45888497 0.93173044
0.61098507 0.96912506 0.01515275
0.45555048 0.88993097 -0.02257019
0.59832457 0.52120890 0.98785115
0.75399844 0.59945383 0.02289092
0.40905355 0.37955479 0.36462057
0.30493162 0.32577988 0.40319425
0.30282384 0.48072263 0.36256235
0.43410075 0.21758889 0.26000435
0.34898842 0.18237923 0.17061562
0.33183775 0.15133646 0.29200339
0.82878249 0.72691200 0.88552354
0.59751810 0.82614006 0.79370532
0.53767080 0.68205392 0.67570299
0.84061517 0.86050420 0.63579762
0.87825583 0.07885273 0.76416824
0.04935576 0.04238682 0.83179935
0.17028002 0.64966446 0.02547792
0.75941944 0.82352638 0.04140930
0.90099243 0.33769034 0.18778231
0.43327393 0.65707771 0.96130168
0.20094792 0.86495201 0.94491113
0.99502031 0.58126639 0.00408842
0.75087640 0.92998468 0.78781088
0.58537265 0.53483949 0.50070670
0.85530086 0.72214436 0.46185002
0.11696420 0.70294281 0.98529186
0.72191271 0.61497105 0.45635688
No title
1
14.232026 0.786164 -0.603827
0.743682 10.927540 0.219290
-0.621618 0.346624 14.079619
C H O N
43 30 7 2
Direct configuration= 300
0.75021331 0.53988521 0.38115588
0.77360958 0.41223342 0.39756048
0.82041221 0.34343352 0.33058843
0.76604671 0.59634304 0.29398055
0.81345593 0.52762509 0.22740403
0.84388385 0.40294593 0.24807641
-0.00238846 0.34280950 0.20505135
0.05853128 0.26053359 0.15838691
0.15637808 0.26134326 0.17332127
0.03574568 0.42624980 0.26538799
0.13385033 0.42603320 0.27829919
0.19704733 0.34371418 0.23381579
0.30488705 0.34527173 0.24960844
0.33736623 0.43265353 0.17355411
0.38224049 0.53545808 0.19748191
0.41551412 0.61087670 0.12829607
0.32533044 0.40908241 0.07629685
0.35836991 0.48224022 0.00623888
0.40328631 0.58382428 0.03248275
0.51889421 0.70226155 -0.01857427
0.52086365 0.82895472 -0.01290708
0.60793098 0.87292527 0.00788638
0.60228936 0.61990159 -0.00610649
0.68881997 0.66464768 0.01391785
0.69178162 0.79100120 0.02261217
0.33231399 0.38474695 0.35069971
0.35832851 0.21499991 0.24221434
0.12835529 0.81814735 0.94302906
0.02531065 0.67172073 -0.02908653
0.97213768 0.77676554 0.90940654
0.87793642 0.79472554 0.87272769
0.84652916 0.90631569 0.82106468
0.72077860 0.85152687 0.72112959
0.63538176 0.80325649 0.73159250
0.60285348 0.72182147 0.66606580
0.65694812 0.69139037 0.59041347
0.64524329 0.60417739 0.51355267
0.78280645 0.69714652 0.49436375
0.74022756 0.74404054 0.57987988
0.77421601 0.82394589 0.64410401
0.90631881 0.99643541 0.80594569
0.00120019 0.97586224 0.84324965
0.03294058 0.86517945 0.89423324
0.84396858 0.24499433 0.34378660
0.75987097 0.36783871 0.46501952
0.74588983 0.69503172 0.28007926
0.83174468 0.57164299 0.16221312
0.20122015 0.19381041 0.13739040
0.02899218 0.19492126 0.11190360
-0.00991225 0.49083356 0.30266184
0.16030150 0.49244835 0.32549869
0.45139886 0.68922798 0.14987122
0.39404897 0.55850166 0.27173271
0.29121823 0.32987560 0.05410911
0.35072536 0.46053740 0.93136504
0.61021627 0.97109827 0.01337841
0.45454769 0.89090432 -0.02392490
0.59818468 0.52150675 0.98807339
0.75420021 0.60096490 0.02277543
0.40982323 0.37784111 0.36468163
0.30564179 0.32430770 0.40354382
0.30362242 0.47980663 0.36239531
0.43475543 0.21685861 0.25966177
0.34928718 0.18119572 0.17049878
0.33295743 0.14969335 0.29226941
0.82929707 0.72683102 0.88468965
0.59713167 0.82777408 0.79296256
0.53726591 0.68282585 0.67532749
0.84070816 0.86077986 0.63581399
0.87775726 0.08171297 0.76552201
0.04880344 0.04529521 0.83367491
0.17178215 0.64918031 0.02492552
0.75915939 0.82530335 0.04061630
0.90065219 0.33633919 0.18774368
0.43267005 0.65763132 0.96084337
0.20160067 0.86632862 0.94676471
0.99639244 0.57970263 0.00303802
0.75090146 0.93126474 0.78761353
0.58521156 0.53491392 0.50088077
0.85618398 0.72103211 0.46229165
0.11765739 0.70300707 0.98559832
0.72198143 0.61470547 0.45656487
No title
1
14.225334 0.786609 -0.610784
0.744405 10.915594 0.223514
-0.628896 0.352322 14.070601
C H O N
43 30 7 2
Direct configuration= 301
0.75022378 0.53960253 0.38113025
0.77342317 0.41183402 0.39755368
0.82029540 0.34294726 0.33061378
0.76602038 0.59618601 0.29396124
0.81346632 0.52747286 0.22740942
0.84376617 0.40256440 0.24802373
-0.00239063 0.34226114 0.20511393
0.05851881 0.26008908 0.15837580
0.15638611 0.26089201 0.17334607
0.03572276 0.42564977 0.26547303
0.13385212 0.42546740 0.27841665
0.19705469 0.34316583 0.23390997
0.30503107 0.34478716 0.24969345
0.33724609 0.43241511 0.17353305
0.38259409 0.53506308 0.19755366
0.41574600 0.61055730 0.12835140
0.32474795 0.40927781 0.07617654
0.35768177 0.48258121 0.00612166
0.40313391 0.58394989 0.03238669
0.51871040 0.70256909 -0.01870036
0.52057696 0.82934988 -0.01325265
0.60767629 0.87357607 0.00748045
0.60218568 0.62011573 -0.00605256
0.68878836 0.66510109 0.01388541
0.69166894 0.79164584 0.02227794
0.33258564 0.38419425 0.35079236
0.35855689 0.21446381 0.24218959
0.12854673 0.81867943 0.94344723
0.02570416 0.67159328 -0.02917389
0.97230621 0.77704142 0.90956918
0.87810165 0.79495590 0.87275555
0.84650398 0.90691302 0.82117272
0.72077929 0.85188576 0.72101575
0.63526476 0.80371448 0.73131237
0.60271941 0.72210673 0.66583035
0.65690945 0.69156084 0.59038186
0.64519650 0.60424828 0.51358924
0.78299521 0.69707414 0.49443088
0.74022165 0.74432843 0.57982528
0.77418332 0.82415116 0.64406662
0.90616415 0.99729603 0.80643065
0.00112412 0.97674459 0.84391164
0.03309466 0.86570030 0.89468452
0.84378931 0.24427090 0.34373767
0.75966895 0.36722872 0.46504788
0.74591182 0.69500743 0.27999317
0.83170595 0.57151751 0.16214770
0.20126216 0.19328880 0.13731549
0.02898791 0.19455271 0.11178401
-0.00986599 0.49035851 0.30279392
0.16039598 0.49191393 0.32573953
0.45196002 0.68878238 0.15002990
0.39476770 0.55771722 0.27195847
0.29029794 0.33029105 0.05401026
0.34964817 0.46124663 0.93121186
0.60989244 0.97201460 0.01264406
0.45412776 0.89130397 -0.02448569
0.59814035 0.52167019 0.98817391
0.75428630 0.60157085 0.02272120
0.41013620 0.37711530 0.36471615
0.30595028 0.32368893 0.40369382
0.30394156 0.47943214 0.36234036
0.43501284 0.21653963 0.25952714
0.34940486 0.18066531 0.17041409
0.33344146 0.14897565 0.29239522
0.82956185 0.72685721 0.88432311
0.59693274 0.82846589 0.79267866
0.53710417 0.68311962 0.67515759
0.84075651 0.86093117 0.63581423
0.87753554 0.08290590 0.76609142
0.04857433 0.04648501 0.83444130
0.17238019 0.64898483 0.02467619
0.75907491 0.82607767 0.04027714
0.90055946 0.33578532 0.18774399
0.43239508 0.65782737 0.96062725
0.20180376 0.86686177 0.94754993
0.99693779 0.57894539 0.00262356
0.75095915 0.93180220 0.78753861
0.58508056 0.53486454 0.50089129
0.85641285 0.72052168 0.46252381
0.11799310 0.70299317 0.98577290
0.72203598 0.61456756 0.45660187
No title
1
14.210286 0.787607 -0.626427
0.746031 10.888737 0.233011
-0.645257 0.365134 14.050326
C H O N
43 30 7 2
Direct configuration= 302
0.75024737 0.53896629 0.38107281
0.77300395 0.41093506 0.39753846
0.82003279 0.34185274 0.33067103
0.76596118 0.59583259 0.29391789
0.81348974 0.52713022 0.22742169
0.84350148 0.40170572 0.24790533
-0.00239529 0.34102675 0.20525512
0.05849086 0.25908854 0.15835112
0.15640432 0.25987626 0.17340220
0.03567148 0.42429908 0.26566478
0.13385647 0.42419369 0.27868132
0.19707153 0.34193146 0.23412228
0.30535529 0.34369630 0.24988522
0.33697587 0.43187851 0.17348572
0.38338970 0.53417383 0.19771579
0.41626776 0.60983823 0.12847640
0.32343741 0.40971790 0.07590504
0.35613358 0.48334905 0.00585687
0.40279092 0.58423278 0.03217031
0.51829669 0.70326151 -0.01898449
0.51993151 0.83023985 -0.01403078
0.60710266 0.87504152 0.00656637
0.60195248 0.62059769 -0.00593151
0.68871710 0.66612170 0.01381205
0.69141488 0.79309732 0.02152537
0.33319699 0.38295001 0.35100152
0.35907075 0.21325712 0.24213456
0.12897777 0.81987651 0.94438793
0.02658928 0.67130645 -0.02936989
0.97268545 0.77766212 0.90993512
0.87847332 0.79547435 0.87281827
0.84644730 0.90825738 0.82141534
0.72078061 0.85269374 0.72075937
0.63500109 0.80474573 0.73068163
0.60241745 0.72274917 0.66530024
0.65682240 0.69194459 0.59031056
0.64509126 0.60440778 0.51367142
0.78341994 0.69691112 0.49458220
0.74020820 0.74497649 0.57970222
0.77410968 0.82461326 0.64398230
0.90581664 0.99923256 0.80752095
0.00095360 0.97872979 0.84540030
0.03344171 0.86687206 0.89569966
0.84338615 0.24264265 0.34362789
0.75921470 0.36585570 0.46511190
0.74596120 0.69495286 0.27979951
0.83161878 0.57123518 0.16200057
0.20135673 0.19211480 0.13714739
0.02897825 0.19372331 0.11151522
-0.00976164 0.48928906 0.30309148
0.16060899 0.49071068 0.32628189
0.45322268 0.68777907 0.15038791
0.39638496 0.55595111 0.27246781
0.28822751 0.33122652 0.05378650
0.34722462 0.46284343 0.93086544
0.60916281 0.97407818 0.01099082
0.45318231 0.89220436 -0.02574821
0.59804073 0.52203795 0.98839989
0.75447972 0.60293484 0.02259886
0.41084047 0.37548148 0.36479469
0.30664461 0.32229590 0.40403212
0.30465950 0.47858922 0.36221737
0.43559180 0.21582178 0.25922475
0.34966961 0.17947152 0.17022405
0.33453063 0.14735994 0.29267935
0.83015700 0.72691658 0.88349871
0.59648468 0.83002348 0.79203919
0.53674004 0.68378113 0.67477492
0.84086524 0.86127173 0.63581471
0.87703718 0.08559032 0.76737142
0.04805960 0.04916212 0.83616446
0.17372520 0.64854504 0.02411607
0.75888423 0.82782103 0.03951342
0.90035101 0.33453866 0.18774497
0.43177618 0.65826902 0.96014053
0.20226146 0.86806073 0.94931645
0.99816422 0.57724137 0.00169227
0.75108867 0.93301204 0.78736971
0.58478588 0.53475340 0.50091485
0.85692814 0.71937240 0.46304679
0.11874850 0.70296157 0.98616608
0.72215878 0.61425708 0.45668529
No title
1
14.203643 0.787352 -0.631488
0.746173 10.877848 0.236759
-0.650568 0.370119 14.042932
C H O N
43 30 7 2
Direct configuration= 303
0.75016883 0.53866861 0.38106843
0.77293592 0.41045216 0.39764291
0.81992075 0.34139715 0.33072696
0.76600722 0.59572320 0.29388245
0.81347017 0.52698425 0.22746851
0.84340598 0.40133866 0.24790770
-0.00242734 0.34056209 0.20522533
0.05845351 0.25872349 0.15837353
0.15642687 0.25940428 0.17339608
0.03565829 0.42378157 0.26573264
0.13389639 0.42374670 0.27880108
0.19708694 0.34148945 0.23414384
0.30545337 0.34334504 0.24991262
0.33691787 0.43178316 0.17353773
0.38370175 0.53380058 0.19780546
0.41647960 0.60963104 0.12856217
0.32298234 0.40983110 0.07587080
0.35559362 0.48382013 0.00574532
0.40265249 0.58430804 0.03211005
0.51810672 0.70344022 -0.01905851
0.51969647 0.83070879 -0.01434678
0.60692865 0.87545458 0.00622938
0.60196530 0.62080903 -0.00589382
0.68857581 0.66659741 0.01373982
0.69119010 0.79364895 0.02124644
0.33342581 0.38247799 0.35111446
0.35928310 0.21287548 0.24211158
0.12920500 0.82021522 0.94477330
0.02691759 0.67109438 -0.02942047
0.97280500 0.77783071 0.91008497
0.87859332 0.79568932 0.87281065
0.84640011 0.90872709 0.82155396
0.72068089 0.85302746 0.72066952
0.63493191 0.80516605 0.73050211
0.60228669 0.72301023 0.66513790
0.65681773 0.69221559 0.59029572
0.64507061 0.60434859 0.51363759
0.78351119 0.69680816 0.49465175
0.74011198 0.74513292 0.57969667
0.77422877 0.82478161 0.64392599
0.90569447 0.99998890 0.80795687
0.00095900 0.97949881 0.84595858
0.03357053 0.86742067 0.89608331
0.84317961 0.24220252 0.34360222
0.75904233 0.36544718 0.46503990
0.74597466 0.69493028 0.27975599
0.83161096 0.57116429 0.16191792
0.20138067 0.19172488 0.13710910
0.02895116 0.19341322 0.11140066
-0.00975433 0.48892818 0.30321588
0.16069207 0.49027806 0.32647975
0.45361937 0.68731561 0.15045505
0.39695698 0.55527923 0.27256452
0.28742609 0.33152901 0.05367649
0.34631918 0.46343177 0.93067775
0.60888706 0.97485923 0.01040212
0.45287345 0.89249401 -0.02618887
0.59802683 0.52216628 0.98849771
0.75457489 0.60334481 0.02255427
0.41110277 0.37488224 0.36485027
0.30690816 0.32178749 0.40416877
0.30490751 0.47827393 0.36220910
0.43579554 0.21552778 0.25912778
0.34975145 0.17899527 0.17012176
0.33494996 0.14672382 0.29279508
0.83040993 0.72696073 0.88319461
0.59629793 0.83057286 0.79178633
0.53661866 0.68397704 0.67460370
0.84091217 0.86144801 0.63581095
0.87685294 0.08649515 0.76787394
0.04787989 0.05008964 0.83678052
0.17420313 0.64832880 0.02393014
0.75883252 0.82849413 0.03921001
0.90033518 0.33413254 0.18778133
0.43157367 0.65838781 0.95997299
0.20237003 0.86850118 0.94995725
0.99864077 0.57677986 0.00127847
0.75108818 0.93342265 0.78724144
0.58468359 0.53472585 0.50086366
0.85716414 0.71899668 0.46321213
0.11905484 0.70305380 0.98629014
0.72221109 0.61409743 0.45666165
No title
1
14.192329 0.786918 -0.640107
0.746414 10.859301 0.243142
-0.659614 0.378608 14.030338
C H O N
43 30 7 2
Direct configuration= 304
0.75003503 0.53816109 0.38106108
0.77282014 0.40962876 0.39782109
0.81972994 0.34062034 0.33082244
0.76608566 0.59553674 0.29382214
0.81343688 0.52673533 0.22754837
0.84324330 0.40071286 0.24791185
-0.00248193 0.33976990 0.20517478
0.05838993 0.25810107 0.15841187
0.15646536 0.25859959 0.17338590
0.03563592 0.42289917 0.26584851
0.13396456 0.42298450 0.27900541
0.19711327 0.34073583 0.23418080
0.30562056 0.34274613 0.24995953
0.33681908 0.43162056 0.17362639
0.38423361 0.53316411 0.19795868
0.41684066 0.60927772 0.12870857
0.32220683 0.41002416 0.07581210
0.35467336 0.48462341 0.00555464
0.40241654 0.58443642 0.03200723
0.51778293 0.70374497 -0.01918487
0.51929566 0.83150858 -0.01488566
0.60663184 0.87615912 0.00565478
0.60198713 0.62116932 -0.00582970
0.68833494 0.66740855 0.01361639
0.69080681 0.79458969 0.02077070
0.33381588 0.38167312 0.35130732
0.35964499 0.21222481 0.24207276
0.12959244 0.82079235 0.94543000
0.02747702 0.67073283 -0.02950633
0.97300881 0.77811802 0.91034033
0.87879777 0.79605582 0.87279764
0.84631973 0.90952779 0.82178993
0.72051085 0.85359651 0.72051617
0.63481385 0.80588282 0.73019594
0.60206373 0.72345548 0.66486102
0.65680974 0.69267763 0.59027029
0.64503541 0.60424770 0.51357995
0.78366674 0.69663257 0.49477040
0.73994799 0.74539965 0.57968707
0.77443164 0.82506868 0.64383003
0.90548652 0.00127805 0.80869931
0.00096849 0.98080944 0.84690962
0.03379025 0.86835567 0.89673690
0.84282769 0.24145216 0.34355855
0.75874859 0.36475074 0.46491729
0.74599756 0.69489182 0.27968186
0.83159760 0.57104350 0.16177712
0.20142148 0.19106014 0.13704406
0.02890495 0.19288463 0.11120556
-0.00974174 0.48831280 0.30342805
0.16083384 0.48954029 0.32681719
0.45429546 0.68652536 0.15056996
0.39793188 0.55413361 0.27273002
0.28606031 0.33204487 0.05348835
0.34477605 0.46443504 0.93035703
0.60841665 0.97619138 0.00939833
0.45234678 0.89298824 -0.02694017
0.59800321 0.52238499 0.98866433
0.75473697 0.60404383 0.02247815
0.41154986 0.37386052 0.36494545
0.30735741 0.32092055 0.40440207
0.30533015 0.47773637 0.36219533
0.43614268 0.21502659 0.25896281
0.34989089 0.17818339 0.16994774
0.33566466 0.14563915 0.29299288
0.83084069 0.72703624 0.88267652
0.59597944 0.83150975 0.79135502
0.53641167 0.68431120 0.67431175
0.84099211 0.86174855 0.63580448
0.87653923 0.08803741 0.76872976
0.04757399 0.05167047 0.83782981
0.17501745 0.64796025 0.02361370
0.75874410 0.82964199 0.03869259
0.90030828 0.33344012 0.18784348
0.43122844 0.65859051 0.95968729
0.20255544 0.86925155 0.95104912
0.99945259 0.57599334 0.00057381
0.75108720 0.93412283 0.78702265
0.58450924 0.53467893 0.50077636
0.85756645 0.71835595 0.46349424
0.11957695 0.70321091 0.98650172
0.72230024 0.61382526 0.45662149
No title
1
14.184663 0.787255 -0.646103
0.747190 10.844879 0.248108
-0.665998 0.385142 14.020138
C H O N
43 30 7 2
Direct configuration= 305
0.74987453 0.53769743 0.38106671
0.77283263 0.40900869 0.39789709
0.81954081 0.34005596 0.33088697
0.76617344 0.59538747 0.29386454
0.81345086 0.52646957 0.22749168
0.84314167 0.40017600 0.24800542
-0.00257957 0.33924184 0.20512269
0.05834934 0.25746766 0.15837663
0.15649156 0.25791499 0.17337099
0.03564531 0.42231763 0.26601464
0.13405670 0.42240907 0.27918619
0.19721366 0.34018913 0.23418173
0.30569663 0.34231858 0.24997337
0.33678241 0.43150987 0.17370878
0.38465925 0.53262548 0.19808230
0.41711987 0.60897242 0.12874346
0.32165703 0.41025825 0.07580923
0.35390440 0.48522738 0.00541592
0.40222268 0.58459067 0.03201247
0.51754861 0.70405309 -0.01926898
0.51900047 0.83200361 -0.01533359
0.60628221 0.87703159 0.00516790
0.60190730 0.62149902 -0.00582901
0.68826510 0.66793994 0.01349074
0.69063176 0.79537497 0.02047349
0.33410277 0.38107822 0.35145503
0.35988926 0.21168363 0.24199648
0.12975011 0.82104915 0.94597464
0.02795729 0.67062730 -0.02965987
0.97326122 0.77838815 0.91054261
0.87897306 0.79641576 0.87274601
0.84627779 0.91014777 0.82201826
0.72047970 0.85410657 0.72030756
0.63460253 0.80642959 0.73005429
0.60190011 0.72391624 0.66474713
0.65665477 0.69294308 0.59014127
0.64504875 0.60411320 0.51347622
0.78370473 0.69640753 0.49485300
0.73997283 0.74557857 0.57964989
0.77455125 0.82528661 0.64383324
0.90540286 0.00229073 0.80936105
0.00090075 0.98184804 0.84763091
0.03389261 0.86906379 0.89729815
0.84251437 0.24091212 0.34357298
0.75848611 0.36420667 0.46487266
0.74601147 0.69488299 0.27965844
0.83160338 0.57094520 0.16170668
0.20145446 0.19055246 0.13700409
0.02882741 0.19245747 0.11103488
-0.00974161 0.48779410 0.30357432
0.16094074 0.48894946 0.32705950
0.45479819 0.68590752 0.15061070
0.39867995 0.55322932 0.27280373
0.28495721 0.33242744 0.05331923
0.34356058 0.46525461 0.93005789
0.60804766 0.97704375 0.00863886
0.45194048 0.89340331 -0.02750493
0.59803802 0.52252536 0.98882047
0.75476705 0.60459519 0.02240455
0.41192509 0.37307088 0.36506602
0.30770198 0.32022032 0.40462702
0.30565335 0.47728454 0.36224955
0.43645710 0.21459979 0.25885493
0.34999100 0.17753863 0.16983777
0.33625688 0.14478796 0.29312404
0.83115636 0.72702994 0.88228575
0.59571699 0.83220750 0.79098504
0.53624776 0.68450529 0.67404283
0.84116246 0.86209116 0.63578190
0.87628329 0.08916633 0.76943092
0.04741711 0.05292552 0.83862730
0.17562817 0.64761032 0.02339395
0.75856346 0.83052089 0.03821986
0.90024496 0.33295847 0.18791393
0.43102616 0.65870393 0.95951612
0.20286371 0.86999479 0.95190094
0.00006313 0.57533530 0.00001516
0.75095589 0.93466913 0.78678454
0.58438229 0.53465376 0.50064174
0.85791729 0.71793803 0.46371178
0.12003547 0.70333995 0.98667504
0.72231988 0.61356840 0.45659970
No title
1
14.171492 0.787835 -0.656403
0.748523 10.820099 0.256641
-0.676966 0.396368 14.002612
C H O N
43 30 7 2
Direct configuration= 306
0.74959873 0.53689972 0.38107659
0.77285433 0.40794177 0.39802819
0.81921587 0.33908490 0.33099816
0.76632442 0.59513059 0.29393761
0.81347491 0.52601238 0.22739438
0.84296718 0.39925223 0.24816660
-0.00274736 0.33833339 0.20503341
0.05827968 0.25637793 0.15831644
0.15653677 0.25673715 0.17334583
0.03566175 0.42131690 0.26630068
0.13421541 0.42141882 0.27949748
0.19738639 0.33924852 0.23418375
0.30582752 0.34158295 0.24999751
0.33671947 0.43131934 0.17385049
0.38539124 0.53169856 0.19829556
0.41760000 0.60844707 0.12880389
0.32071178 0.41066109 0.07580372
0.35258216 0.48626680 0.00517639
0.40188937 0.58485608 0.03202122
0.51714561 0.70458335 -0.01941399
0.51849247 0.83285589 -0.01610435
0.60568050 0.87853329 0.00432984
0.60176996 0.62206629 -0.00582811
0.68814478 0.66885434 0.01327428
0.69033035 0.79672642 0.01996177
0.33459625 0.38005449 0.35170963
0.36030926 0.21075258 0.24186586
0.13002160 0.82149033 0.94691110
0.02878283 0.67044584 -0.02992343
0.97369528 0.77885265 0.91089047
0.87927428 0.79703507 0.87265713
0.84620573 0.91121421 0.82241043
0.72042583 0.85498437 0.71994849
0.63423897 0.80737050 0.72981018
0.60161862 0.72470913 0.66455085
0.65638817 0.69339994 0.58991913
0.64507162 0.60388189 0.51329797
0.78377017 0.69602025 0.49499522
0.74001545 0.74588645 0.57958585
0.77475683 0.82566154 0.64383871
0.90525938 0.00403231 0.81049817
0.00078467 0.98363414 0.84887042
0.03406890 0.87028146 0.89826282
0.84197587 0.23998300 0.34359791
0.75803496 0.36327067 0.46479608
0.74603535 0.69486782 0.27961819
0.83161330 0.57077616 0.16158563
0.20151125 0.18967905 0.13693572
0.02869406 0.19172274 0.11074162
-0.00974113 0.48690150 0.30382617
0.16112487 0.48793265 0.32747664
0.45566266 0.68484441 0.15068157
0.39996630 0.55167328 0.27293165
0.28306055 0.33308602 0.05302731
0.34147053 0.46666522 0.92954202
0.60741244 0.97851119 0.00733210
0.45124138 0.89411815 -0.02847663
0.59809799 0.52276669 0.98908888
0.75481855 0.60554390 0.02227764
0.41257048 0.37171210 0.36527416
0.30829472 0.31901526 0.40501457
0.30620913 0.47650706 0.36234333
0.43699765 0.21386556 0.25866997
0.35016318 0.17642942 0.16964917
0.33727532 0.14332325 0.29335059
0.83169869 0.72701949 0.88161406
0.59526529 0.83340846 0.79034819
0.53596566 0.68483955 0.67358016
0.84145522 0.86268063 0.63574297
0.87584366 0.09110791 0.77063562
0.04714780 0.05508396 0.83999765
0.17667798 0.64700843 0.02301682
0.75825226 0.83203362 0.03740628
0.90013629 0.33212972 0.18803534
0.43067822 0.65889931 0.95922154
0.20339424 0.87127251 0.95336539
0.00111241 0.57420368 -0.00094454
0.75072980 0.93560934 0.78637465
0.58416394 0.53461062 0.50041019
0.85852075 0.71721867 0.46408640
0.12082386 0.70356170 0.98697335
0.72235370 0.61312650 0.45656242
No title
1
14.165338 0.788080 -0.660679
0.749052 10.809709 0.260248
-0.681497 0.401111 13.995191
C H O N
43 30 7 2
Direct configuration= 307
0.74950556 0.53658709 0.38106177
0.77284340 0.40757808 0.39805562
0.81907847 0.33868073 0.33102144
0.76639071 0.59496688 0.29398638
0.81348592 0.52578817 0.22735423
0.84291190 0.39891711 0.24821724
-0.00278182 0.33799078 0.20503507
0.05824929 0.25589417 0.15827920
0.15654223 0.25627960 0.17336398
0.03568725 0.42090165 0.26642744
0.13429047 0.42096898 0.27961416
0.19745428 0.33886370 0.23419032
0.30589138 0.34124924 0.25002425
0.33669508 0.43117733 0.17389491
0.38570668 0.53131098 0.19834340
0.41779562 0.60817060 0.12881436
0.32028486 0.41084427 0.07575204
0.35198007 0.48662840 0.00507791
0.40172861 0.58499363 0.03200005
0.51700212 0.70483991 -0.01948996
0.51827126 0.83319983 -0.01643362
0.60540800 0.87917704 0.00395121
0.60167029 0.62231760 -0.00584641
0.68813562 0.66924172 0.01317508
0.69020595 0.79732429 0.01975383
0.33480489 0.37961299 0.35180617
0.36048426 0.21031053 0.24180525
0.13030491 0.82186113 0.94732827
0.02911551 0.67034876 -0.03004452
0.97389198 0.77912102 0.91101365
0.87941847 0.79726651 0.87263331
0.84616783 0.91172396 0.82255947
0.72039868 0.85534991 0.71978592
0.63410761 0.80777587 0.72967491
0.60147954 0.72504492 0.66446958
0.65625981 0.69355666 0.58977505
0.64506677 0.60382716 0.51323330
0.78390983 0.69585763 0.49499944
0.74006338 0.74596353 0.57953369
0.77484210 0.82583425 0.64383988
0.90518266 0.00476007 0.81100428
0.00072075 0.98440527 0.84940407
0.03412394 0.87074398 0.89870962
0.84174955 0.23950956 0.34364215
0.75782778 0.36282484 0.46482849
0.74604850 0.69486915 0.27961883
0.83162907 0.57069478 0.16154812
0.20155607 0.18926487 0.13689105
0.02860762 0.19136620 0.11059056
-0.00974552 0.48649936 0.30393184
0.16120890 0.48749362 0.32765361
0.45605820 0.68444539 0.15071011
0.40052990 0.55101444 0.27302106
0.28226752 0.33343767 0.05292190
0.34057233 0.46730893 0.92933710
0.60713078 0.97914322 0.00678049
0.45093283 0.89445005 -0.02889097
0.59814561 0.52286599 0.98921538
0.75480349 0.60595265 0.02221666
0.41284912 0.37113497 0.36538072
0.30854392 0.31848589 0.40519880
0.30644783 0.47616447 0.36241826
0.43724037 0.21353898 0.25858878
0.35023658 0.17595698 0.16958872
0.33772429 0.14270983 0.29342502
0.83192211 0.72698489 0.88132912
0.59504025 0.83393655 0.79011166
0.53584826 0.68497523 0.67337218
0.84160729 0.86296110 0.63572542
0.87564843 0.09194130 0.77116150
0.04706921 0.05602908 0.84058457
0.17712337 0.64673421 0.02286588
0.75809030 0.83269273 0.03703453
0.90003001 0.33176475 0.18808177
0.43055842 0.65897894 0.95913137
0.20349446 0.87174979 0.95397465
0.00158519 0.57377062 -0.00138111
0.75064092 0.93605291 0.78622421
0.58406505 0.53456859 0.50028092
0.85866881 0.71690561 0.46429300
0.12116593 0.70356824 0.98712122
0.72234749 0.61291978 0.45657426
No title
1
14.147783 0.788776 -0.672876
0.750560 10.780071 0.270536
-0.694423 0.414642 13.974024
C H O N
43 30 7 2
Direct configuration= 308
0.74923973 0.53569446 0.38101962
0.77281232 0.40653961 0.39813421
0.81868652 0.33752666 0.33108809
0.76657997 0.59449933 0.29412575
0.81351737 0.52514804 0.22723980
0.84275429 0.39796017 0.24836201
-0.00288004 0.33701254 0.20504006
0.05816267 0.25451292 0.15817329
0.15655797 0.25497310 0.17341614
0.03576029 0.41971578 0.26678959
0.13450493 0.41968435 0.27994761
0.19764814 0.33776489 0.23420946
0.30607376 0.34029634 0.25010090
0.33662556 0.43077180 0.17402178
0.38660705 0.53020417 0.19848055
0.41835399 0.60738114 0.12884463
0.31906638 0.41136745 0.07560402
0.35026161 0.48766116 0.00479598
0.40126975 0.58538643 0.03193939
0.51659246 0.70557262 -0.01970710
0.51763951 0.83418240 -0.01737385
0.60462975 0.88101574 0.00286977
0.60138576 0.62303523 -0.00589893
0.68810926 0.67034795 0.01289164
0.68985054 0.79903172 0.01915973
0.33540055 0.37835221 0.35208225
0.36098373 0.20904838 0.24163276
0.13111374 0.82291923 0.94851887
0.03006484 0.67007166 -0.03038973
0.97445339 0.77988711 0.91136518
0.87982985 0.79792735 0.87256529
0.84605967 0.91317927 0.82298442
0.72032090 0.85639388 0.71932163
0.63373247 0.80893355 0.72928839
0.60108243 0.72600387 0.66423722
0.65589329 0.69400438 0.58936360
0.64505288 0.60367098 0.51304877
0.78430844 0.69539327 0.49501176
0.74020009 0.74618366 0.57938479
0.77508540 0.82632738 0.64384314
0.90496403 0.00683737 0.81244812
0.00053867 0.98660636 0.85092651
0.03428138 0.87206402 0.89998453
0.84110386 0.23815770 0.34376860
0.75723670 0.36155186 0.46492118
0.74608602 0.69487295 0.27962068
0.83167405 0.57046245 0.16144117
0.20168405 0.18808233 0.13676394
0.02836086 0.19034841 0.11015963
-0.00975784 0.48535097 0.30423375
0.16144904 0.48623980 0.32815911
0.45718717 0.68330593 0.15079225
0.40213862 0.54913298 0.27327732
0.28000414 0.33444206 0.05262003
0.33800860 0.46914739 0.92875088
0.60632621 0.98094866 0.00520535
0.45005175 0.89539839 -0.03007410
0.59828161 0.52314934 0.98957637
0.75476033 0.60711986 0.02204226
0.41364460 0.36948688 0.36568558
0.30925546 0.31697407 0.40572527
0.30712921 0.47518610 0.36263265
0.43793304 0.21260655 0.25835752
0.35044614 0.17460808 0.16941664
0.33900582 0.14095813 0.29363836
0.83255940 0.72688646 0.88051608
0.59439759 0.83544478 0.78943596
0.53551294 0.68536295 0.67277836
0.84204116 0.86376195 0.63567526
0.87509159 0.09432023 0.77266157
0.04684526 0.05872688 0.84225888
0.17839435 0.64595135 0.02243571
0.75762753 0.83457526 0.03597282
0.89972687 0.33072262 0.18821450
0.43021640 0.65920645 0.95887384
0.20378097 0.87311170 0.95571325
0.00293408 0.57253461 -0.00262634
0.75038696 0.93731967 0.78579441
0.58378269 0.53444880 0.49991191
0.85909164 0.71601139 0.46488305
0.12214230 0.70358665 0.98754355
0.72232983 0.61232949 0.45660819
No title
1
14.141817 0.789490 -0.677597
0.751348 10.770923 0.273509
-0.699310 0.418601 13.967372
C H O N
43 30 7 2
Direct configuration= 309
0.74921845 0.53554306 0.38100600
0.77269843 0.40625974 0.39820035
0.81858032 0.33712900 0.33107445
0.76662464 0.59430360 0.29411085
0.81349337 0.52496837 0.22727030
0.84273257 0.39774928 0.24832741
-0.00283736 0.33668030 0.20509695
0.05809817 0.25412203 0.15816172
0.15656462 0.25459371 0.17345673
0.03580541 0.41930847 0.26688289
0.13458375 0.41923545 0.28003739
0.19766920 0.33739503 0.23425231
0.30618922 0.33989081 0.25017030
0.33660166 0.43050882 0.17399769
0.38687720 0.52980465 0.19848929
0.41857045 0.60711275 0.12883881
0.31855972 0.41151035 0.07548280
0.34967357 0.48793779 0.00467643
0.40103753 0.58546063 0.03180222
0.51649428 0.70580768 -0.01982425
0.51739645 0.83461033 -0.01768131
0.60441521 0.88142562 0.00247893
0.60134909 0.62327904 -0.00591951
0.68802710 0.67082655 0.01277608
0.68963293 0.79957194 0.01892716
0.33560709 0.37788322 0.35217453
0.36118954 0.20857887 0.24160240
0.13132492 0.82339549 0.94892671
0.03039168 0.66996887 -0.03050642
0.97460279 0.78018748 0.91145470
0.87996382 0.79810188 0.87256011
0.84599631 0.91369057 0.82309670
0.72024789 0.85671978 0.71921497
0.63367700 0.80934704 0.72908128
0.60093851 0.72622790 0.66405072
0.65583739 0.69417288 0.58921836
0.64494674 0.60368453 0.51300367
0.78438876 0.69519822 0.49506074
0.74022922 0.74615267 0.57931485
0.77519951 0.82650085 0.64374845
0.90480822 0.00756698 0.81291930
0.00052433 0.98731650 0.85150013
0.03439491 0.87255620 0.90043612
0.84090631 0.23751858 0.34386922
0.75703281 0.36106214 0.46502411
0.74612058 0.69483046 0.27965927
0.83171296 0.57036074 0.16142412
0.20175177 0.18761955 0.13670301
0.02822567 0.18991363 0.10996783
-0.00976867 0.48493636 0.30434561
0.16154478 0.48580029 0.32832528
0.45762324 0.68301400 0.15082158
0.40271752 0.54851340 0.27343878
0.27929687 0.33494309 0.05257277
0.33713552 0.46984346 0.92860882
0.60602420 0.98168520 0.00468241
0.44973885 0.89575607 -0.03047649
0.59835093 0.52325393 0.98971468
0.75474468 0.60747164 0.02197957
0.41389799 0.36894313 0.36580928
0.30949103 0.31645414 0.40591531
0.30736489 0.47484345 0.36276564
0.43815814 0.21227420 0.25825548
0.35051670 0.17415623 0.16937819
0.33944339 0.14038056 0.29367678
0.83277629 0.72681281 0.88024268
0.59413378 0.83599221 0.78928349
0.53539490 0.68550805 0.67258125
0.84217698 0.86403610 0.63567143
0.87489202 0.09516099 0.77318370
0.04680430 0.05964753 0.84284166
0.17884024 0.64563276 0.02232547
0.75748634 0.83527441 0.03559717
0.89956947 0.33031809 0.18823213
0.43012684 0.65930744 0.95883521
0.20393943 0.87364096 0.95629198
0.00341070 0.57216483 -0.00309052
0.75037733 0.93784571 0.78573214
0.58369014 0.53437718 0.49975238
0.85927695 0.71574448 0.46504275
0.12245430 0.70349044 0.98768235
0.72234149 0.61210890 0.45664131
No title
1
14.125215 0.791475 -0.690737
0.753542 10.745461 0.281785
-0.712910 0.429620 13.948858
C H O N
43 30 7 2
Direct configuration= 310
0.74915923 0.53512132 0.38096813
0.77238147 0.40548008 0.39838461
0.81828474 0.33602133 0.33103660
0.76674907 0.59375839 0.29406954
0.81342665 0.52446786 0.22735532
0.84267212 0.39716187 0.24823117
-0.00271834 0.33575473 0.20525565
0.05791867 0.25303318 0.15812968
0.15658333 0.25353684 0.17357000
0.03593126 0.41817377 0.26714301
0.13480347 0.41798486 0.28028778
0.19772800 0.33636466 0.23437190
0.30651093 0.33876104 0.25036393
0.33653516 0.42977630 0.17393076
0.38762954 0.52869166 0.19851414
0.41917325 0.60636507 0.12882299
0.31714879 0.41190873 0.07514465
0.34803598 0.48870871 0.00434273
0.40039077 0.58566755 0.03141997
0.51622070 0.70646263 -0.02015071
0.51671921 0.83580280 -0.01853798
0.60381728 0.88256791 0.00139010
0.60124689 0.62395825 -0.00597700
0.68779808 0.67215991 0.01245388
0.68902659 0.80107713 0.01827897
0.33618242 0.37657662 0.35243200
0.36176272 0.20727094 0.24151838
0.13191324 0.82472160 0.95006227
0.03130166 0.66968260 -0.03083093
0.97501878 0.78102404 0.91170391
0.88033680 0.79858802 0.87254572
0.84581984 0.91511476 0.82340895
0.72004436 0.85762777 0.71891765
0.63352220 0.81049911 0.72850424
0.60053749 0.72685224 0.66353111
0.65568155 0.69464244 0.58881376
0.64465116 0.60372235 0.51287795
0.78461251 0.69465479 0.49519733
0.74031029 0.74606642 0.57912014
0.77551706 0.82698412 0.64348475
0.90437466 0.00959891 0.81423070
0.00048482 0.98929400 0.85309697
0.03471139 0.87392667 0.90169342
0.84035655 0.23573818 0.34414963
0.75646538 0.35969790 0.46531085
0.74621685 0.69471206 0.27976678
0.83182133 0.57007743 0.16137674
0.20194041 0.18633046 0.13653371
0.02784916 0.18870278 0.10943390
-0.00979857 0.48378130 0.30465737
0.16181166 0.48457577 0.32878836
0.45883758 0.68220060 0.15090386
0.40432982 0.54678710 0.27388937
0.27732732 0.33633904 0.05244014
0.33470411 0.47178289 0.92821191
0.60518246 0.98373761 0.00322545
0.44886706 0.89675302 -0.03159754
0.59854408 0.52354507 0.99009980
0.75470090 0.60845165 0.02180474
0.41460383 0.36742822 0.36615437
0.31014733 0.31500552 0.40644505
0.30802140 0.47388875 0.36313643
0.43878489 0.21134846 0.25797179
0.35071328 0.17289757 0.16927149
0.34066201 0.13877150 0.29378459
0.83337994 0.72660792 0.87948162
0.59339887 0.83751739 0.78885830
0.53506597 0.68591251 0.67203218
0.84255507 0.86479972 0.63566073
0.87433663 0.09750246 0.77463690
0.04669058 0.06221142 0.84446380
0.18008177 0.64474525 0.02201914
0.75709258 0.83722244 0.03455052
0.89913134 0.32919125 0.18828135
0.42987740 0.65958885 0.95872746
0.20438114 0.87511456 0.95790331
0.00473741 0.57113516 -0.00438235
0.75035029 0.93931113 0.78555839
0.58343229 0.53417789 0.49930811
0.85979320 0.71500075 0.46548784
0.12332321 0.70322218 0.98806924
0.72237405 0.61149436 0.45673367
No title
1
14.116776 0.792972 -0.698759
0.754905 10.733033 0.284600
-0.721092 0.433535 13.938382
C H O N
43 30 7 2
Direct configuration= 311
0.74922194 0.53497631 0.38105772
0.77211866 0.40495167 0.39848700
0.81814316 0.33545320 0.33108012
0.76668588 0.59370116 0.29399962
0.81341807 0.52438953 0.22728861
0.84263315 0.39671019 0.24822542
-0.00279126 0.33515175 0.20531080
0.05780375 0.25245253 0.15805001
0.15661717 0.25288355 0.17351784
0.03598461 0.41766859 0.26727583
0.13489937 0.41747222 0.28046654
0.19783206 0.33575917 0.23450868
0.30672063 0.33804291 0.25046644
0.33651242 0.42928669 0.17379373
0.38797479 0.52806358 0.19861115
0.41952575 0.60606186 0.12872234
0.31640265 0.41225842 0.07504630
0.34724828 0.48914544 0.00414299
0.40002123 0.58567017 0.03123552
0.51606913 0.70684018 -0.02036431
0.51632534 0.83636793 -0.01897166
0.60343978 0.88342346 0.00079916
0.60129199 0.62427789 -0.00601098
0.68765296 0.67277002 0.01228244
0.68885379 0.80178154 0.01791942
0.33647297 0.37586758 0.35262021
0.36210860 0.20660554 0.24151425
0.13197332 0.82518313 0.95070991
0.03183911 0.66971376 -0.03104184
0.97523075 0.78136510 0.91187048
0.88044595 0.79890806 0.87248389
0.84577738 0.91568802 0.82360902
0.72014902 0.85815551 0.71877309
0.63323083 0.81106257 0.72826453
0.60046436 0.72713380 0.66310328
0.65558212 0.69483845 0.58868636
0.64439154 0.60375550 0.51274548
0.78467754 0.69430766 0.49528835
0.74045450 0.74610308 0.57909832
0.77554421 0.82718841 0.64328147
0.90420310 0.01063006 0.81491872
0.00045732 0.99036781 0.85394980
0.03494273 0.87480107 0.90231726
0.84007608 0.23472813 0.34433309
0.75619281 0.35900065 0.46546581
0.74632114 0.69453052 0.27986720
0.83189055 0.56987443 0.16143523
0.20198787 0.18570223 0.13649512
0.02763755 0.18809374 0.10921183
-0.00979614 0.48312980 0.30482759
0.16197187 0.48389766 0.32899992
0.45949589 0.68180945 0.15091157
0.40517945 0.54588090 0.27408925
0.27628481 0.33706760 0.05237828
0.33342241 0.47284676 0.92800291
0.60470837 0.98468759 0.00248602
0.44837204 0.89735891 -0.03217939
0.59867781 0.52373830 0.99032107
0.75463847 0.60896759 0.02170610
0.41493829 0.36667388 0.36636097
0.31048465 0.31426866 0.40670179
0.30838133 0.47332775 0.36340598
0.43911248 0.21084504 0.25778036
0.35081460 0.17225787 0.16922560
0.34126501 0.13790396 0.29383305
0.83371409 0.72645217 0.87909588
0.59309608 0.83827719 0.78856591
0.53485781 0.68614795 0.67176325
0.84271572 0.86515879 0.63566541
0.87401754 0.09882194 0.77538717
0.04662966 0.06345968 0.84534932
0.18073274 0.64420561 0.02191846
0.75682689 0.83827843 0.03397760
0.89904651 0.32858495 0.18825789
0.42971537 0.65978790 0.95863485
0.20482049 0.87606933 0.95873563
0.00535807 0.57047415 -0.00507282
0.75032544 0.94012295 0.78547683
0.58327989 0.53407256 0.49907156
0.86007801 0.71464384 0.46565867
0.12377166 0.70326186 0.98815875
0.72245237 0.61127630 0.45682011
No title
1
14.112580 0.793717 -0.702748
0.755582 10.726852 0.285999
-0.725161 0.435481 13.933172
C H O N
43 30 7 2
Direct configuration= 312
0.74925319 0.53490409 0.38110234
0.77198796 0.40468858 0.39853794
0.81807277 0.33517034 0.33110181
0.76665442 0.59367269 0.29396481
0.81341379 0.52435055 0.22725541
0.84261379 0.39648531 0.24822259
-0.00282748 0.33485153 0.20533830
0.05774659 0.25216346 0.15801040
0.15663405 0.25255829 0.17349196
0.03601124 0.41741703 0.26734201
0.13494720 0.41721693 0.28055559
0.19788394 0.33545766 0.23457686
0.30682507 0.33768532 0.25051760
0.33650111 0.42904295 0.17372558
0.38814668 0.52775081 0.19865962
0.41970115 0.60591088 0.12867238
0.31603129 0.41243263 0.07499708
0.34685621 0.48936301 0.00404328
0.39983728 0.58567155 0.03114361
0.51599361 0.70702823 -0.02047070
0.51612916 0.83664944 -0.01918769
0.60325167 0.88384960 0.00050483
0.60131439 0.62443704 -0.00602792
0.68758064 0.67307384 0.01219700
0.68876762 0.80213236 0.01774033
0.33661767 0.37551449 0.35271405
0.36228078 0.20627420 0.24151239
0.13200338 0.82541278 0.95103220
0.03210648 0.66972926 -0.03114664
0.97533625 0.78153485 0.91195341
0.88050022 0.79906740 0.87245311
0.84575627 0.91597340 0.82370851
0.72020101 0.85841828 0.71870112
0.63308572 0.81134319 0.72814507
0.60042781 0.72727409 0.66289029
0.65553258 0.69493607 0.58862291
0.64426230 0.60377206 0.51267947
0.78470996 0.69413479 0.49533371
0.74052625 0.74612132 0.57908749
0.77555764 0.82729017 0.64318028
0.90411786 0.01114333 0.81526097
0.00044382 0.99090226 0.85437412
0.03505797 0.87523627 0.90262771
0.83993665 0.23422522 0.34442443
0.75605728 0.35865348 0.46554293
0.74637309 0.69444011 0.27991723
0.83192504 0.56977334 0.16146439
0.20201153 0.18538945 0.13647600
0.02753223 0.18779058 0.10910132
-0.00979481 0.48280538 0.30491238
0.16205173 0.48355997 0.32910534
0.45982352 0.68161462 0.15091566
0.40560239 0.54542957 0.27418909
0.27576595 0.33743047 0.05234708
0.33278444 0.47337663 0.92789837
0.60447214 0.98516080 0.00211775
0.44812546 0.89766076 -0.03246919
0.59874441 0.52383444 0.99043122
0.75460733 0.60922450 0.02165693
0.41510486 0.36629823 0.36646398
0.31065265 0.31390169 0.40682976
0.30856058 0.47304833 0.36354031
0.43927548 0.21059440 0.25768525
0.35086505 0.17193937 0.16920286
0.34156517 0.13747194 0.29385746
0.83388026 0.72637468 0.87890403
0.59294525 0.83865558 0.78842021
0.53475412 0.68626525 0.67162931
0.84279563 0.86533755 0.63566774
0.87385888 0.09947876 0.77576033
0.04659952 0.06408098 0.84578988
0.18105669 0.64393689 0.02186862
0.75669440 0.83880436 0.03369225
0.89900434 0.32828309 0.18824626
0.42963470 0.65988704 0.95858868
0.20503931 0.87654447 0.95914989
0.00566676 0.57014513 -0.00541620
0.75031298 0.94052717 0.78543614
0.58320399 0.53402019 0.49895379
0.86021981 0.71446607 0.46574383
0.12399485 0.70328155 0.98820343
0.72249139 0.61116771 0.45686318
No title
1
14.103227 0.793727 -0.709917
0.755614 10.716006 0.287208
-0.732331 0.437363 13.923789
C H O N
43 30 7 2
Direct configuration= 313
0.74939280 0.53469997 0.38124989
0.77172095 0.40423446 0.39855849
0.81797098 0.33464291 0.33123526
0.76653373 0.59367045 0.29393040
0.81343445 0.52427775 0.22720175
0.84252508 0.39605387 0.24828690
-0.00297479 0.33427686 0.20534991
0.05768039 0.25166009 0.15786762
0.15663575 0.25202072 0.17338066
0.03601098 0.41704534 0.26740330
0.13500660 0.41687896 0.28069400
0.19802210 0.33484393 0.23472030
0.30699312 0.33705877 0.25056081
0.33653985 0.42867837 0.17369364
0.38842720 0.52730434 0.19869553
0.41994273 0.60563686 0.12864038
0.31548249 0.41285985 0.07494114
0.34629098 0.48974525 0.00390348
0.39964797 0.58570004 0.03106904
0.51586077 0.70728916 -0.02065288
0.51580906 0.83706047 -0.01951237
0.60293539 0.88467408 0.00004425
0.60130610 0.62469741 -0.00608429
0.68757421 0.67340421 0.01208489
0.68867753 0.80275027 0.01739983
0.33684185 0.37496682 0.35291422
0.36255814 0.20575341 0.24153428
0.13242584 0.82594055 0.95163798
0.03242705 0.66959807 -0.03129069
0.97554137 0.78182946 0.91209770
0.88055600 0.79928871 0.87239218
0.84581018 0.91638323 0.82389314
0.72025951 0.85881736 0.71862800
0.63285911 0.81177102 0.72794002
0.60034484 0.72754181 0.66261469
0.65553755 0.69498074 0.58849226
0.64406804 0.60384389 0.51252331
0.78489514 0.69391066 0.49538297
0.74063051 0.74613583 0.57908939
0.77554963 0.82755244 0.64308146
0.90407616 0.01189862 0.81580250
0.00037855 0.99186280 0.85501540
0.03516433 0.87586966 0.90310690
0.83969613 0.23352260 0.34457040
0.75587169 0.35815414 0.46564062
0.74647424 0.69435707 0.28000894
0.83201128 0.56962659 0.16150954
0.20200426 0.18492463 0.13648436
0.02736756 0.18738016 0.10902021
-0.00978472 0.48227919 0.30507057
0.16222142 0.48305456 0.32928086
0.46033450 0.68128731 0.15085608
0.40625747 0.54469665 0.27427417
0.27488676 0.33791182 0.05227284
0.33175640 0.47422475 0.92766530
0.60406763 0.98579321 0.00156361
0.44770003 0.89820405 -0.03291432
0.59888550 0.52401175 0.99062205
0.75451667 0.60964827 0.02157512
0.41534189 0.36574454 0.36666016
0.31090593 0.31333247 0.40701049
0.30885812 0.47252834 0.36381894
0.43957649 0.21017970 0.25749828
0.35094544 0.17146078 0.16917217
0.34199582 0.13674418 0.29390457
0.83416763 0.72622810 0.87860958
0.59278822 0.83919652 0.78811244
0.53461610 0.68650961 0.67140857
0.84282965 0.86552513 0.63567027
0.87359246 0.10056290 0.77635911
0.04653540 0.06495276 0.84653304
0.18147174 0.64356703 0.02178909
0.75645207 0.83965511 0.03322930
0.89905931 0.32782348 0.18819782
0.42942849 0.66006722 0.95843379
0.20507011 0.87709153 0.95975158
0.00616701 0.56980855 -0.00604934
0.75026948 0.94112569 0.78531660
0.58301280 0.53391967 0.49875908
0.86030726 0.71416620 0.46586234
0.12444835 0.70343399 0.98821917
0.72256950 0.61111235 0.45697205
No title
1
14.097558 0.793733 -0.714263
0.755633 10.709432 0.287940
-0.736677 0.438504 13.918101
C H O N
43 30 7 2
Direct configuration= 314
0.74947754 0.53457609 0.38133945
0.77155902 0.40395894 0.39857091
0.81790931 0.33432287 0.33131622
0.76646052 0.59366910 0.29390948
0.81344697 0.52423359 0.22716922
0.84247131 0.39579209 0.24832591
-0.00306412 0.33392818 0.20535694
0.05764022 0.25135470 0.15778102
0.15663676 0.25169456 0.17331319
0.03601086 0.41681981 0.26744050
0.13504269 0.41667387 0.28077800
0.19810598 0.33447152 0.23480739
0.30709508 0.33667859 0.25058711
0.33656335 0.42845716 0.17367431
0.38859739 0.52703342 0.19871744
0.42008926 0.60547059 0.12862107
0.31514957 0.41311909 0.07490700
0.34594807 0.48997723 0.00381847
0.39953311 0.58571734 0.03102374
0.51578012 0.70744751 -0.02076344
0.51561477 0.83730993 -0.01970945
0.60274336 0.88517442 -0.00023529
0.60130105 0.62485540 -0.00611851
0.68757026 0.67360468 0.01201687
0.68862275 0.80312525 0.01719322
0.33697792 0.37463449 0.35303575
0.36272641 0.20543740 0.24154770
0.13268228 0.82626067 0.95200553
0.03262145 0.66951847 -0.03137795
0.97566583 0.78200819 0.91218527
0.88058980 0.79942300 0.87235523
0.84584294 0.91663187 0.82400513
0.72029495 0.85905951 0.71858365
0.63272158 0.81203065 0.72781555
0.60029441 0.72770429 0.66244747
0.65554051 0.69500786 0.58841301
0.64395016 0.60388750 0.51242852
0.78500748 0.69377465 0.49541293
0.74069376 0.74614463 0.57909057
0.77554473 0.82771159 0.64302149
0.90405102 0.01235682 0.81613092
0.00033914 0.99244552 0.85540429
0.03522898 0.87625390 0.90339756
0.83955032 0.23309626 0.34465892
0.75575917 0.35785115 0.46569984
0.74653562 0.69430667 0.28006461
0.83206361 0.56953754 0.16153696
0.20199987 0.18464259 0.13648945
0.02726766 0.18713115 0.10897098
-0.00977852 0.48195990 0.30516657
0.16232442 0.48274787 0.32938742
0.46064443 0.68108870 0.15082014
0.40665487 0.54425191 0.27432605
0.27435344 0.33820394 0.05222749
0.33113271 0.47473943 0.92752352
0.60382206 0.98617704 0.00122731
0.44744181 0.89853378 -0.03318449
0.59897113 0.52411930 0.99073785
0.75446164 0.60990541 0.02152543
0.41548575 0.36540855 0.36677926
0.31105964 0.31298704 0.40712024
0.30903871 0.47221278 0.36398808
0.43975903 0.20992809 0.25738500
0.35099420 0.17117040 0.16915361
0.34225709 0.13630258 0.29393334
0.83434185 0.72613919 0.87843108
0.59269284 0.83952479 0.78792567
0.53453230 0.68665791 0.67127461
0.84285027 0.86563894 0.63567181
0.87343102 0.10122062 0.77672214
0.04649673 0.06548161 0.84698373
0.18172348 0.64334260 0.02174102
0.75630489 0.84017139 0.03294835
0.89909265 0.32754462 0.18816848
0.42930335 0.66017659 0.95833975
0.20508898 0.87742337 0.96011651
0.00647024 0.56960439 -0.00643319
0.75024303 0.94148886 0.78524403
0.58289677 0.53385871 0.49864092
0.86036036 0.71398424 0.46593428
0.12472342 0.70352646 0.98822886
0.72261692 0.61107875 0.45703811
No title
1
14.086939 0.793874 -0.722873
0.755746 10.696747 0.288658
-0.745254 0.439814 13.907021
C H O N
43 30 7 2
Direct configuration= 315
0.74965739 0.53426523 0.38150012
0.77124792 0.40349877 0.39856841
0.81780532 0.33364535 0.33148766
0.76637543 0.59341838 0.29394187
0.81345107 0.52393080 0.22728319
0.84232973 0.39534617 0.24842421
-0.00309316 0.33325446 0.20536978
0.05758132 0.25084779 0.15762368
0.15659408 0.25120972 0.17323695
0.03597047 0.41632271 0.26741528
0.13514056 0.41617854 0.28083617
0.19820018 0.33369223 0.23496361
0.30727517 0.33604286 0.25063961
0.33667257 0.42817274 0.17381082
0.38895470 0.52661452 0.19869161
0.42031312 0.60512778 0.12870868
0.31452387 0.41353874 0.07479187
0.34535468 0.49044664 0.00366543
0.39948831 0.58586327 0.03097097
0.51558299 0.70769913 -0.02097992
0.51527736 0.83784688 -0.02005544
0.60245787 0.88578724 -0.00071324
0.60120130 0.62518399 -0.00621549
0.68760328 0.67407369 0.01190149
0.68837535 0.80389333 0.01670698
0.33723353 0.37402414 0.35324673
0.36301793 0.20479741 0.24157821
0.13293984 0.82671879 0.95261917
0.03300079 0.66956732 -0.03160743
0.97588380 0.78241877 0.91232553
0.88074293 0.79958518 0.87232973
0.84592607 0.91715793 0.82418956
0.72015185 0.85944191 0.71853627
0.63268425 0.81250714 0.72748553
0.60011529 0.72806328 0.66227955
0.65561635 0.69497158 0.58823496
0.64380353 0.60395715 0.51223094
0.78513392 0.69362703 0.49558864
0.74076844 0.74610826 0.57907829
0.77553363 0.82812844 0.64304076
0.90398996 0.01324971 0.81665201
0.00025575 0.99343377 0.85613361
0.03527280 0.87685073 0.90395023
0.83926159 0.23244577 0.34481549
0.75557452 0.35735932 0.46577358
0.74662364 0.69446217 0.28015413
0.83221394 0.56944416 0.16150447
0.20199741 0.18406880 0.13648273
0.02705988 0.18667374 0.10891956
-0.00978161 0.48140411 0.30538338
0.16257822 0.48229185 0.32963699
0.46118270 0.68066596 0.15068140
0.40736596 0.54342134 0.27435384
0.27334223 0.33870893 0.05212587
0.32997125 0.47567530 0.92719125
0.60334337 0.98698031 0.00064416
0.44696145 0.89914692 -0.03365348
0.59915169 0.52428843 0.99095824
0.75443227 0.61029607 0.02145031
0.41575949 0.36482739 0.36704703
0.31131444 0.31232432 0.40732472
0.30936292 0.47159870 0.36435770
0.44017401 0.20944733 0.25715448
0.35108462 0.17066075 0.16911764
0.34269435 0.13544828 0.29399933
0.83466416 0.72594983 0.87810694
0.59255439 0.84008304 0.78755918
0.53441697 0.68699902 0.67100003
0.84282051 0.86576322 0.63566419
0.87315289 0.10235294 0.77744129
0.04644937 0.06643168 0.84785372
0.18206146 0.64305784 0.02163083
0.75609722 0.84116287 0.03244428
0.89905331 0.32707966 0.18812328
0.42898143 0.66036698 0.95809739
0.20533747 0.87817896 0.96081311
0.00698339 0.56918927 -0.00716426
0.75021516 0.94207822 0.78506668
0.58263437 0.53379183 0.49840791
0.86056373 0.71368620 0.46595213
0.12531254 0.70361934 0.98826844
0.72266804 0.61098169 0.45710257
No title
1
14.074994 0.794033 -0.732557
0.755873 10.682479 0.289467
-0.754900 0.441287 13.894559
C H O N
43 30 7 2
Direct configuration= 316
0.74985998 0.53391511 0.38168115
0.77089776 0.40298060 0.39856540
0.81768845 0.33288234 0.33168063
0.76627970 0.59313604 0.29397829
0.81345580 0.52358980 0.22741151
0.84217047 0.39484400 0.24853481
-0.00312579 0.33249576 0.20538428
0.05751494 0.25027699 0.15744655
0.15654602 0.25066375 0.17315114
0.03592504 0.41576291 0.26738690
0.13525081 0.41562071 0.28090178
0.19830641 0.33281460 0.23513961
0.30747799 0.33532690 0.25069889
0.33679564 0.42785240 0.17396460
0.38935693 0.52614275 0.19866284
0.42056522 0.60474168 0.12880751
0.31381940 0.41401141 0.07466176
0.34468656 0.49097535 0.00349267
0.39943782 0.58602763 0.03091153
0.51536089 0.70798257 -0.02122379
0.51489725 0.83845167 -0.02044524
0.60213610 0.88647749 -0.00125155
0.60108891 0.62555407 -0.00632476
0.68764032 0.67460188 0.01177158
0.68809643 0.80475844 0.01615935
0.33752148 0.37333674 0.35348448
0.36334616 0.20407664 0.24161283
0.13323020 0.82723452 0.95331010
0.03342764 0.66962235 -0.03186548
0.97612924 0.78288109 0.91248355
0.88091527 0.79976781 0.87230112
0.84601975 0.91775028 0.82439719
0.71999071 0.85987256 0.71848280
0.63264195 0.81304382 0.72711396
0.59991350 0.72846761 0.66209035
0.65570158 0.69493075 0.58803459
0.64363832 0.60403564 0.51200840
0.78527640 0.69346073 0.49578654
0.74085250 0.74606728 0.57906451
0.77552112 0.82859787 0.64306242
0.90392154 0.01425510 0.81723850
0.00016234 0.99454651 0.85695447
0.03532249 0.87752271 0.90457236
0.83893674 0.23171323 0.34499159
0.75536675 0.35680546 0.46585650
0.74672277 0.69463726 0.28025496
0.83238314 0.56933899 0.16146802
0.20199468 0.18342263 0.13647522
0.02682599 0.18615866 0.10886156
-0.00978488 0.48077818 0.30562749
0.16286414 0.48177822 0.32991818
0.46178855 0.68018988 0.15052565
0.40816652 0.54248593 0.27438573
0.27220380 0.33927776 0.05201069
0.32866348 0.47672941 0.92681625
0.60280402 0.98788508 -0.00001274
0.44642031 0.89983757 -0.03418185
0.59935510 0.52447881 0.99120645
0.75439912 0.61073602 0.02136568
0.41606789 0.36417285 0.36734872
0.31160147 0.31157793 0.40755515
0.30972820 0.47090706 0.36477410
0.44064102 0.20890594 0.25689532
0.35118642 0.17008682 0.16907728
0.34318670 0.13448616 0.29407402
0.83502676 0.72573662 0.87774230
0.59239821 0.84071181 0.78714645
0.53428691 0.68738323 0.67069081
0.84278698 0.86590318 0.63565559
0.87284025 0.10362795 0.77825055
0.04639663 0.06750139 0.84883297
0.18244186 0.64273715 0.02150707
0.75586298 0.84227954 0.03187659
0.89900904 0.32655607 0.18807240
0.42861886 0.66058147 0.95782430
0.20561764 0.87902968 0.96159741
0.00756053 0.56872190 -0.00798682
0.75018360 0.94274197 0.78486696
0.58233882 0.53371658 0.49814540
0.86079271 0.71335054 0.46597241
0.12597572 0.70372386 0.98831343
0.72272564 0.61087238 0.45717518
No title
1
14.065979 0.794381 -0.741065
0.756220 10.670070 0.290260
-0.763466 0.442691 13.883360
C H O N
43 30 7 2
Direct configuration= 317
0.74993619 0.53362141 0.38178681
0.77068303 0.40248457 0.39859813
0.81752692 0.33236259 0.33175690
0.76625772 0.59291685 0.29406713
0.81345639 0.52322681 0.22748625
0.84208631 0.39427723 0.24865096
-0.00306046 0.33189964 0.20539459
0.05745102 0.24984489 0.15734913
0.15652577 0.25016757 0.17310414
0.03594727 0.41526086 0.26738211
0.13536744 0.41506984 0.28094822
0.19835695 0.33211897 0.23528097
0.30765195 0.33482466 0.25082178
0.33684001 0.42762941 0.17402381
0.38973690 0.52568588 0.19875718
0.42084278 0.60455379 0.12881745
0.31320719 0.41426003 0.07458995
0.34411069 0.49148396 0.00331274
0.39940539 0.58614995 0.03082609
0.51505627 0.70835684 -0.02147900
0.51452376 0.83895275 -0.02079982
0.60179248 0.88701012 -0.00171919
0.60103306 0.62590443 -0.00640824
0.68751852 0.67525849 0.01160866
0.68793257 0.80542774 0.01565699
0.33778309 0.37268419 0.35366259
0.36365553 0.20338980 0.24164045
0.13339608 0.82767305 0.95381151
0.03388552 0.66971251 -0.03210340
0.97629040 0.78321208 0.91263591
0.88112435 0.79996755 0.87227296
0.84601886 0.91828614 0.82452589
0.71993781 0.86030657 0.71836663
0.63255169 0.81349076 0.72686021
0.59987160 0.72877480 0.66181037
0.65560879 0.69493634 0.58803150
0.64351838 0.60392156 0.51179112
0.78546722 0.69339885 0.49592579
0.74097195 0.74617149 0.57916307
0.77536766 0.82886840 0.64310124
0.90379396 0.01519553 0.81768197
0.00012602 0.99531100 0.85772727
0.03539362 0.87816854 0.90514224
0.83866876 0.23102897 0.34515848
0.75518119 0.35636392 0.46591427
0.74681770 0.69479709 0.28035628
0.83253369 0.56919630 0.16150756
0.20200179 0.18279756 0.13643665
0.02658038 0.18562326 0.10876839
-0.00978076 0.48022017 0.30583852
0.16312643 0.48134047 0.33014713
0.46229815 0.67972493 0.15038028
0.40887322 0.54167973 0.27440778
0.27120696 0.33983210 0.05190193
0.32751847 0.47765761 0.92649458
0.60232322 0.98873681 -0.00056464
0.44598076 0.90040502 -0.03461220
0.59952771 0.52458799 0.99141966
0.75450219 0.61102131 0.02131989
0.41638865 0.36360528 0.36766201
0.31183303 0.31086758 0.40777555
0.31001652 0.47034331 0.36516965
0.44108042 0.20840323 0.25666337
0.35127078 0.16957729 0.16901475
0.34360298 0.13361637 0.29414878
0.83534311 0.72554058 0.87741909
0.59229707 0.84123455 0.78675805
0.53412016 0.68774395 0.67041186
0.84281218 0.86605045 0.63564626
0.87258393 0.10467790 0.77899776
0.04639928 0.06850031 0.84973132
0.18284580 0.64244594 0.02145770
0.75568030 0.84328560 0.03137584
0.89875720 0.32613073 0.18807197
0.42829756 0.66077165 0.95758537
0.20596978 0.87986777 0.96231792
0.00806703 0.56839743 -0.00875255
0.75020049 0.94329283 0.78474085
0.58213158 0.53381333 0.49790679
0.86099000 0.71307586 0.46597873
0.12631889 0.70380353 0.98829408
0.72273110 0.61064495 0.45714634
No title
1
14.059420 0.794635 -0.747255
0.756472 10.661041 0.290837
-0.769699 0.443713 13.875211
C H O N
43 30 7 2
Direct configuration= 318
0.74999175 0.53340742 0.38186381
0.77052672 0.40212321 0.39862189
0.81740937 0.33198394 0.33181240
0.76624178 0.59275716 0.29413183
0.81345687 0.52296235 0.22754070
0.84202512 0.39386432 0.24873555
-0.00301285 0.33146535 0.20540217
0.05740445 0.24953011 0.15727818
0.15651103 0.24980609 0.17306994
0.03596349 0.41489510 0.26737866
0.13545242 0.41466850 0.28098213
0.19839387 0.33161216 0.23538399
0.30777871 0.33445874 0.25091140
0.33687236 0.42746695 0.17406697
0.39001365 0.52535300 0.19882610
0.42104491 0.60441688 0.12882483
0.31276136 0.41444121 0.07453735
0.34369124 0.49185457 0.00318139
0.39938173 0.58623907 0.03076385
0.51483431 0.70862956 -0.02166503
0.51425160 0.83931788 -0.02105825
0.60154200 0.88739825 -0.00205996
0.60099233 0.62615969 -0.00646909
0.68742971 0.67573688 0.01148991
0.68781297 0.80591542 0.01529101
0.33797372 0.37220875 0.35379246
0.36388085 0.20288939 0.24166075
0.13351708 0.82799244 0.95417673
0.03421881 0.66977820 -0.03227646
0.97640780 0.78345318 0.91274693
0.88127657 0.80011305 0.87225255
0.84601824 0.91867651 0.82461959
0.71989921 0.86062277 0.71828198
0.63248582 0.81381640 0.72667533
0.59984093 0.72899864 0.66160642
0.65554122 0.69494042 0.58802921
0.64343094 0.60383850 0.51163282
0.78560623 0.69335374 0.49602729
0.74105896 0.74624738 0.57923491
0.77525592 0.82906549 0.64312942
0.90370121 0.01588059 0.81800482
0.00009990 0.99586783 0.85829002
0.03544565 0.87863895 0.90555725
0.83847375 0.23053047 0.34527994
0.75504614 0.35604226 0.46595628
0.74688686 0.69491350 0.28043011
0.83264335 0.56909232 0.16153644
0.20200700 0.18234218 0.13640861
0.02640153 0.18523325 0.10870045
-0.00977762 0.47981362 0.30599225
0.16331755 0.48102150 0.33031402
0.46266918 0.67938619 0.15027469
0.40938787 0.54109233 0.27442422
0.27048100 0.34023605 0.05182222
0.32668450 0.47833396 0.92625971
0.60197278 0.98935744 -0.00096686
0.44566046 0.90081852 -0.03492586
0.59965350 0.52466748 0.99157501
0.75457720 0.61122914 0.02128657
0.41662240 0.36319173 0.36789035
0.31200180 0.31035002 0.40793622
0.31022668 0.46993252 0.36545790
0.44140029 0.20803700 0.25649468
0.35133221 0.16920608 0.16896929
0.34390620 0.13298266 0.29420347
0.83557333 0.72539778 0.87718387
0.59222320 0.84161544 0.78647510
0.53399858 0.68800680 0.67020859
0.84283051 0.86615773 0.63563948
0.87239758 0.10544271 0.77954175
0.04640157 0.06922790 0.85038551
0.18313994 0.64223375 0.02142196
0.75554696 0.84401863 0.03101100
0.89857385 0.32582089 0.18807156
0.42806348 0.66091026 0.95741120
0.20622649 0.88047819 0.96284276
0.00843549 0.56816112 -0.00930996
0.75021269 0.94369417 0.78464898
0.58198056 0.53388387 0.49773292
0.86113368 0.71287572 0.46598344
0.12656875 0.70386154 0.98828015
0.72273507 0.61047927 0.45712535
No title
1
14.053444 0.794601 -0.753861
0.756598 10.651909 0.292608
-0.776427 0.446305 13.867917
C H O N
43 30 7 2
Direct configuration= 319
0.74988373 0.53315384 0.38185904
0.77049543 0.40177700 0.39868872
0.81721228 0.33164057 0.33180946
0.76632521 0.59276423 0.29417316
0.81344310 0.52271871 0.22752738
0.84201784 0.39341975 0.24878212
-0.00308595 0.33117144 0.20539740
0.05733496 0.24914281 0.15719933
0.15656514 0.24929940 0.17303298
0.03607406 0.41458607 0.26749011
0.13554780 0.41431482 0.28112059
0.19847966 0.33122697 0.23545853
0.30789620 0.33417131 0.25105438
0.33678134 0.42731196 0.17398201
0.39034096 0.52500761 0.19889193
0.42127100 0.60430142 0.12874249
0.31238061 0.41456845 0.07448493
0.34321002 0.49216213 0.00308218
0.39927487 0.58624910 0.03063452
0.51456718 0.70894823 -0.02190077
0.51388669 0.83964639 -0.02136330
0.60123195 0.88794814 -0.00241147
0.60088788 0.62647861 -0.00653413
0.68736276 0.67612797 0.01131658
0.68779479 0.80647973 0.01492657
0.33819167 0.37169650 0.35396213
0.36415437 0.20236639 0.24167952
0.13389768 0.82860994 0.95445939
0.03452356 0.66974975 -0.03247537
0.97654182 0.78362842 0.91289844
0.88138852 0.80031318 0.87218667
0.84596184 0.91913277 0.82464953
0.71987902 0.86103874 0.71820573
0.63239312 0.81414239 0.72656169
0.59980026 0.72915385 0.66136708
0.65549269 0.69498230 0.58802480
0.64350579 0.60374698 0.51155591
0.78576465 0.69333425 0.49604312
0.74103462 0.74629828 0.57933711
0.77522952 0.82918652 0.64311871
0.90359147 0.01643543 0.81837401
0.00010112 0.99644804 0.85884794
0.03556037 0.87909376 0.90604901
0.83828984 0.22997398 0.34541093
0.75488911 0.35572262 0.46601493
0.74699485 0.69487870 0.28054158
0.83273775 0.56886139 0.16171305
0.20200763 0.18182233 0.13634707
0.02619278 0.18475779 0.10859225
-0.00973549 0.47934053 0.30611224
0.16348853 0.48061601 0.33039917
0.46309014 0.67908399 0.15021252
0.40996156 0.54052435 0.27455309
0.26971623 0.34070715 0.05172309
0.32583582 0.47905045 0.92606768
0.60160512 0.98994756 -0.00136097
0.44536533 0.90120556 -0.03521145
0.59976826 0.52472884 0.99172662
0.75466031 0.61149524 0.02126472
0.41692259 0.36275003 0.36818075
0.31216964 0.30974232 0.40811299
0.31040898 0.46954433 0.36577191
0.44172070 0.20760905 0.25632389
0.35138617 0.16879620 0.16887679
0.34422514 0.13230676 0.29426364
0.83584059 0.72529865 0.87692660
0.59214215 0.84200635 0.78620951
0.53383921 0.68832576 0.66998071
0.84285811 0.86629030 0.63565199
0.87219614 0.10626694 0.78009801
0.04642136 0.06999599 0.85112990
0.18349086 0.64206848 0.02141842
0.75541044 0.84478543 0.03061508
0.89830708 0.32543782 0.18810795
0.42785403 0.66108241 0.95724320
0.20625355 0.88093698 0.96339583
0.00885390 0.56805923 -0.00993920
0.75024479 0.94410730 0.78462025
0.58174594 0.53397122 0.49748998
0.86126797 0.71270615 0.46601136
0.12671031 0.70387609 0.98826652
0.72271732 0.61026764 0.45710436
No title
1
14.049252 0.794577 -0.758494
0.756687 10.645503 0.293851
-0.781145 0.448124 13.862801
C H O N
43 30 7 2
Direct configuration= 320
0.74980794 0.53297582 0.38185569
0.77047351 0.40153393 0.39873565
0.81707399 0.33139952 0.33180736
0.76638378 0.59276918 0.29420220
0.81343343 0.52254766 0.22751806
0.84201276 0.39310764 0.24881485
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0.15660312 0.24894369 0.17300712
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0.13561479 0.41406650 0.28121784
0.19853991 0.33095653 0.23551092
0.30797871 0.33396949 0.25115480
0.33671744 0.42720318 0.17392238
0.39057069 0.52476510 0.19893829
0.42142964 0.60422038 0.12868479
0.31211340 0.41465781 0.07444800
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0.60081455 0.62670253 -0.00657985
0.68731570 0.67640258 0.01119486
0.68778187 0.80687597 0.01467072
0.33834470 0.37133683 0.35408134
0.36434634 0.20199920 0.24169285
0.13416484 0.82904338 0.95465784
0.03473734 0.66972981 -0.03261487
0.97663591 0.78375141 0.91300480
0.88146705 0.80045369 0.87214045
0.84592226 0.91945308 0.82467047
0.71986481 0.86133079 0.71815216
0.63232802 0.81437127 0.72648187
0.59977162 0.72926287 0.66119908
0.65545864 0.69501170 0.58802169
0.64355828 0.60368275 0.51150196
0.78587583 0.69332056 0.49605428
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0.77521100 0.82927149 0.64311117
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0.00010215 0.99685525 0.85923945
0.03564105 0.87941294 0.90639413
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0.02604627 0.18442402 0.10851629
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0.16360856 0.48033131 0.33045904
0.46338554 0.67887183 0.15016906
0.41036422 0.54012555 0.27464379
0.26917950 0.34103794 0.05165319
0.32524015 0.47955353 0.92593253
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0.31053703 0.46927173 0.36599240
0.44194551 0.20730864 0.25620418
0.35142402 0.16850846 0.16881194
0.34444901 0.13183222 0.29430604
0.83602805 0.72522910 0.87674614
0.59208515 0.84228085 0.78602305
0.53372727 0.68854974 0.66982068
0.84287747 0.86638337 0.63566076
0.87205495 0.10684548 0.78048824
0.04643549 0.07053506 0.85165226
0.18373712 0.64195243 0.02141608
0.75531446 0.84532386 0.03033709
0.89811991 0.32516889 0.18813344
0.42770698 0.66120331 0.95712519
0.20627272 0.88125895 0.96378395
0.00914728 0.56798782 -0.01038067
0.75026728 0.94439734 0.78460005
0.58158120 0.53403260 0.49731938
0.86136222 0.71258709 0.46603102
0.12680965 0.70388629 0.98825701
0.72270487 0.61011906 0.45708965
No title
1
14.044730 0.794804 -0.765053
0.757070 10.637316 0.296241
-0.787857 0.451498 13.857096
C H O N
43 30 7 2
Direct configuration= 321
0.74961483 0.53275749 0.38175942
0.77050456 0.40127024 0.39881952
0.81688264 0.33096974 0.33179921
0.76655571 0.59271741 0.29421988
0.81339104 0.52233865 0.22756865
0.84196017 0.39282295 0.24882851
-0.00327823 0.33077633 0.20536541
0.05718546 0.24846400 0.15707316
0.15666250 0.24844659 0.17300684
0.03624482 0.41407286 0.26771159
0.13573671 0.41372851 0.28138469
0.19863777 0.33066289 0.23553587
0.30809503 0.33369644 0.25125273
0.33660894 0.42710911 0.17386536
0.39088687 0.52446377 0.19890742
0.42162475 0.60402112 0.12860391
0.31180316 0.41475411 0.07435541
0.34239257 0.49258960 0.00292609
0.39904057 0.58624058 0.03039110
0.51415653 0.70940710 -0.02229739
0.51332321 0.84021844 -0.02187313
0.60075676 0.88883237 -0.00297831
0.60066467 0.62699156 -0.00664931
0.68733503 0.67668216 0.01100510
0.68768253 0.80746845 0.01432701
0.33856927 0.37091180 0.35431140
0.36458417 0.20154934 0.24169115
0.13423592 0.82939862 0.95485099
0.03501084 0.66984474 -0.03286059
0.97677428 0.78395908 0.91313669
0.88155192 0.80066503 0.87205394
0.84589352 0.91984371 0.82469625
0.71980367 0.86172934 0.71810377
0.63229151 0.81464207 0.72634129
0.59965209 0.72942252 0.66108554
0.65549322 0.69500890 0.58791504
0.64361752 0.60353499 0.51148442
0.78591771 0.69327659 0.49605908
0.74096250 0.74629894 0.57941804
0.77530037 0.82939954 0.64310964
0.90344782 0.01728920 0.81900818
0.00010059 0.99743752 0.85972424
0.03576074 0.87982951 0.90684949
0.83798849 0.22909984 0.34561422
0.75462470 0.35520010 0.46612561
0.74718858 0.69478245 0.28073357
0.83289445 0.56843483 0.16203762
0.20201566 0.18092693 0.13621839
0.02585179 0.18395997 0.10840827
-0.00964401 0.47856221 0.30629624
0.16376212 0.47993703 0.33050467
0.46381931 0.67865472 0.15015186
0.41092710 0.53962530 0.27484254
0.26845683 0.34150144 0.05154590
0.32446522 0.48022296 0.92580542
0.60099598 0.99090426 -0.00198840
0.44486147 0.90183893 -0.03565738
0.59992930 0.52487880 0.99196419
0.75474463 0.61201415 0.02122732
0.41743110 0.36201385 0.36868983
0.31245016 0.30870310 0.40839637
0.31069328 0.46889823 0.36628567
0.44223113 0.20687304 0.25605810
0.35146959 0.16811912 0.16871460
0.34476325 0.13120743 0.29435347
0.83629477 0.72518732 0.87649151
0.59196692 0.84266148 0.78584727
0.53356371 0.68887619 0.66958808
0.84290202 0.86651685 0.63568609
0.87186904 0.10761727 0.78100178
0.04644124 0.07123746 0.85239378
0.18401812 0.64190324 0.02139571
0.75522840 0.84605548 0.02996109
0.89795097 0.32471409 0.18817357
0.42750503 0.66136507 0.95696237
0.20651258 0.88181999 0.96434688
0.00948895 0.56771173 -0.01093906
0.75024429 0.94480868 0.78458620
0.58139074 0.53419764 0.49706826
0.86151459 0.71248166 0.46606329
0.12708510 0.70390489 0.98829911
0.72271344 0.60996042 0.45711579
No title
1
14.038090 0.795137 -0.774684
0.757633 10.625294 0.299750
-0.797713 0.456452 13.848717
C H O N
43 30 7 2
Direct configuration= 322
0.74933111 0.53243669 0.38161790
0.77055027 0.40088266 0.39894284
0.81660159 0.33033815 0.33178723
0.76680828 0.59264131 0.29424600
0.81332882 0.52203145 0.22764300
0.84188296 0.39240456 0.24884862
-0.00348536 0.33049894 0.20532329
0.05703750 0.24786601 0.15696911
0.15674977 0.24771601 0.17300662
0.03638175 0.41363741 0.26792210
0.13591597 0.41323168 0.28163000
0.19878159 0.33023132 0.23557268
0.30826602 0.33329509 0.25139675
0.33644951 0.42697091 0.17378156
0.39135136 0.52402090 0.19886238
0.42191134 0.60372830 0.12848527
0.31134732 0.41489573 0.07421912
0.34168781 0.49290054 0.00279894
0.39880648 0.58621777 0.03016678
0.51382860 0.70975276 -0.02263708
0.51287154 0.84072028 -0.02230768
0.60037823 0.88956459 -0.00344874
0.60044440 0.62741640 -0.00675155
0.68736325 0.67709314 0.01072625
0.68753627 0.80833940 0.01382179
0.33889940 0.37028702 0.35464969
0.36493359 0.20088817 0.24168894
0.13434044 0.82992060 0.95513470
0.03541243 0.67001375 -0.03322143
0.97697763 0.78426419 0.91333051
0.88167651 0.80097566 0.87192684
0.84585128 0.92041777 0.82473400
0.71971376 0.86231510 0.71803251
0.63223773 0.81504012 0.72613467
0.59947640 0.72965722 0.66091859
0.65554394 0.69500484 0.58775838
0.64370455 0.60331784 0.51145872
0.78597923 0.69321197 0.49606616
0.74088161 0.74624742 0.57943154
0.77543166 0.82958773 0.64310743
0.90335000 0.01797139 0.81955919
0.00009861 0.99829299 0.86043631
0.03593686 0.88044145 0.90751845
0.83773543 0.22838932 0.34577786
0.75439819 0.35476195 0.46622776
0.74736187 0.69467686 0.28090074
0.83302742 0.56804615 0.16233242
0.20202682 0.18014739 0.13609287
0.02556607 0.18327806 0.10824957
-0.00955301 0.47790643 0.30644291
0.16398778 0.47935754 0.33057194
0.46445654 0.67833562 0.15012697
0.41175419 0.53888994 0.27513507
0.26739508 0.34218277 0.05138763
0.32332666 0.48120695 0.92561793
0.60048009 0.99170151 -0.00250394
0.44442548 0.90237049 -0.03601816
0.60004759 0.52503586 0.99215686
0.75478280 0.61250222 0.02119482
0.41786874 0.36138758 0.36913843
0.31268928 0.30780276 0.40863054
0.31092308 0.46834914 0.36671675
0.44265067 0.20623291 0.25584382
0.35153651 0.16754698 0.16857175
0.34522498 0.13028915 0.29442355
0.83668641 0.72512603 0.87611761
0.59179305 0.84322097 0.78558884
0.53332322 0.68935610 0.66924615
0.84293808 0.86671300 0.63572328
0.87159623 0.10875126 0.78175590
0.04645018 0.07226933 0.85348299
0.18443089 0.64183092 0.02136601
0.75510159 0.84713093 0.02940842
0.89770288 0.32404570 0.18823253
0.42720822 0.66160292 0.95672297
0.20686530 0.88264419 0.96517392
0.00999048 0.56730625 -0.01175908
0.75021046 0.94541321 0.78456570
0.58111073 0.53444035 0.49669914
0.86173845 0.71232667 0.46611085
0.12748978 0.70393218 0.98836116
0.72272607 0.60972727 0.45715424
No title
1
14.031357 0.794571 -0.783038
0.757413 10.614639 0.302393
-0.806210 0.460269 13.841400
C H O N
43 30 7 2
Direct configuration= 323
0.74909993 0.53227729 0.38145888
0.77058056 0.40055652 0.39903031
0.81640436 0.32979748 0.33179046
0.76701607 0.59240043 0.29432994
0.81329414 0.52178404 0.22778889
0.84169858 0.39209439 0.24890764
-0.00356362 0.33021920 0.20524072
0.05690393 0.24742718 0.15695443
0.15672268 0.24718821 0.17305272
0.03641700 0.41314969 0.26802648
0.13607556 0.41269088 0.28174127
0.19887176 0.32985409 0.23554958
0.30844814 0.33290638 0.25144013
0.33640421 0.42693691 0.17381816
0.39170755 0.52364703 0.19886382
0.42217925 0.60345667 0.12839427
0.31094927 0.41495836 0.07411675
0.34114406 0.49316245 0.00264024
0.39858957 0.58623765 0.03000176
0.51360377 0.70999334 -0.02289822
0.51264536 0.84117301 -0.02264929
0.60009213 0.89006313 -0.00384047
0.60037028 0.62768095 -0.00683265
0.68730270 0.67758421 0.01045843
0.68731434 0.80895170 0.01340970
0.33919281 0.36983426 0.35498812
0.36514767 0.20040489 0.24164365
0.13456613 0.83021401 0.95548226
0.03570077 0.66992038 -0.03345888
0.97710862 0.78467516 0.91340966
0.88183707 0.80121783 0.87183827
0.84587083 0.92076798 0.82481469
0.71969658 0.86270953 0.71789861
0.63216153 0.81533493 0.72595337
0.59939466 0.72989318 0.66081579
0.65549158 0.69493776 0.58767200
0.64368154 0.60313415 0.51144680
0.78602151 0.69310747 0.49603402
0.74098454 0.74625771 0.57935457
0.77546919 0.82972437 0.64316055
0.90332454 0.01867965 0.81999201
0.00008269 0.99900454 0.86099955
0.03598505 0.88098956 0.90795654
0.83752875 0.22783000 0.34589216
0.75422475 0.35441769 0.46630813
0.74752037 0.69464779 0.28101678
0.83316021 0.56775115 0.16251100
0.20203571 0.17948499 0.13598160
0.02535264 0.18273733 0.10814152
-0.00948240 0.47744244 0.30659952
0.16420804 0.47896535 0.33067419
0.46497065 0.67805453 0.15011325
0.41242062 0.53829395 0.27529850
0.26652503 0.34274166 0.05124391
0.32240501 0.48197972 0.92549481
0.60004754 0.99239009 -0.00290606
0.44399977 0.90283734 -0.03630072
0.60008805 0.52526123 0.99229786
0.75479715 0.61294136 0.02116426
0.41820717 0.36086087 0.36953579
0.31291007 0.30704058 0.40879945
0.31110750 0.46787190 0.36706415
0.44297147 0.20567848 0.25569306
0.35159189 0.16709785 0.16848786
0.34563536 0.12958369 0.29444857
0.83700433 0.72512127 0.87579165
0.59162494 0.84368156 0.78542755
0.53306948 0.68974180 0.66895764
0.84303158 0.86690922 0.63575520
0.87140537 0.10959448 0.78239327
0.04642231 0.07309913 0.85440963
0.18477169 0.64183005 0.02134959
0.75502250 0.84801757 0.02894512
0.89763234 0.32345599 0.18829521
0.42690706 0.66174842 0.95650632
0.20703487 0.88322560 0.96582168
0.01039075 0.56698806 -0.01244669
0.75007715 0.94595671 0.78453116
0.58093544 0.53470170 0.49639102
0.86179813 0.71223823 0.46621488
0.12790271 0.70415298 0.98837842
0.72280146 0.60955075 0.45718030
No title
1
14.022626 0.793838 -0.793871
0.757127 10.600822 0.305821
-0.817229 0.465218 13.831910
C H O N
43 30 7 2
Direct configuration= 324
0.74879985 0.53207046 0.38125240
0.77061996 0.40013310 0.39914393
0.81614850 0.32909564 0.33179464
0.76728575 0.59208770 0.29443908
0.81324928 0.52146279 0.22797822
0.84145942 0.39169173 0.24898415
-0.00366520 0.32985612 0.20513359
0.05673064 0.24685756 0.15693540
0.15668761 0.24650306 0.17311266
0.03646286 0.41251651 0.26816209
0.13628274 0.41198881 0.28188593
0.19898875 0.32936443 0.23551979
0.30868449 0.33240177 0.25149667
0.33634546 0.42689274 0.17386564
0.39216971 0.52316171 0.19886608
0.42252679 0.60310412 0.12827649
0.31043274 0.41503972 0.07398358
0.34043841 0.49350254 0.00243381
0.39830800 0.58626356 0.02978746
0.51331182 0.71030580 -0.02323731
0.51235160 0.84176089 -0.02309286
0.59972056 0.89071052 -0.00434912
0.60027402 0.62802441 -0.00693800
0.68722387 0.67822181 0.01011074
0.68702601 0.80974676 0.01287465
0.33957382 0.36924635 0.35542760
0.36542542 0.19977757 0.24158520
0.13485922 0.83059468 0.95593333
0.03607468 0.66979932 -0.03376671
0.97727860 0.78520860 0.91351234
0.88204530 0.80153224 0.87172340
0.84589624 0.92122254 0.82491930
0.71967416 0.86322160 0.71772476
0.63206249 0.81571772 0.72571798
0.59928849 0.73019954 0.66068226
0.65542357 0.69485073 0.58755991
0.64365168 0.60289572 0.51143137
0.78607636 0.69297182 0.49599238
0.74111803 0.74627112 0.57925479
0.77551793 0.82990170 0.64322946
0.90329183 0.01959878 0.82055339
0.00006247 0.99992786 0.86173014
0.03604792 0.88170080 0.90852484
0.83726073 0.22710389 0.34604047
0.75399981 0.35397077 0.46641237
0.74772612 0.69460998 0.28116749
0.83333266 0.56736812 0.16274290
0.20204719 0.17862519 0.13583741
0.02507567 0.18203546 0.10800130
-0.00939062 0.47684005 0.30680291
0.16449392 0.47845618 0.33080715
0.46563767 0.67768964 0.15009596
0.41328544 0.53752020 0.27551127
0.26539604 0.34346726 0.05105656
0.32120907 0.48298294 0.92533410
0.59948594 0.99328416 -0.00342838
0.44344716 0.90344352 -0.03666783
0.60014065 0.52555371 0.99248079
0.75481570 0.61351143 0.02112449
0.41864664 0.36017693 0.37005180
0.31319671 0.30605110 0.40901900
0.31134712 0.46725220 0.36751520
0.44338759 0.20495887 0.25549787
0.35166370 0.16651489 0.16837920
0.34616786 0.12866792 0.29448157
0.83741654 0.72511528 0.87536896
0.59140666 0.84427955 0.78521802
0.53273998 0.69024264 0.66858298
0.84315290 0.86716391 0.63579665
0.87115821 0.11068869 0.78321989
0.04638690 0.07417577 0.85561169
0.18521383 0.64182894 0.02132856
0.75491942 0.84916876 0.02834366
0.89754091 0.32269046 0.18837665
0.42651613 0.66193743 0.95622493
0.20725541 0.88397995 0.96666213
0.01090952 0.56657540 -0.01333846
0.74990412 0.94666224 0.78448609
0.58070775 0.53504113 0.49599101
0.86187565 0.71212336 0.46634992
0.12843846 0.70443959 0.98840111
0.72289931 0.60932161 0.45721422
No title
1
14.014152 0.792667 -0.802930
0.756254 10.590409 0.307208
-0.826314 0.467528 13.823533
C H O N
43 30 7 2
Direct configuration= 325
0.74871255 0.53184066 0.38131058
0.77053156 0.39976435 0.39915533
0.81597222 0.32868755 0.33189073
0.76729127 0.59202579 0.29457395
0.81335255 0.52119261 0.22804107
0.84125892 0.39111224 0.24904294
-0.00364792 0.32942474 0.20504631
0.05664250 0.24640418 0.15693751
0.15658480 0.24595104 0.17309969
0.03647090 0.41192606 0.26819371
0.13636663 0.41141300 0.28191036
0.19908765 0.32885734 0.23546202
0.30891755 0.33200979 0.25153438
0.33640212 0.42677345 0.17392500
0.39252636 0.52284413 0.19901927
0.42287198 0.60286837 0.12821663
0.31002351 0.41520386 0.07398726
0.33995636 0.49376982 0.00231471
0.39812446 0.58639043 0.02970149
0.51316815 0.71053455 -0.02345969
0.51207397 0.84216898 -0.02345546
0.59947057 0.89132936 -0.00475180
0.60028701 0.62830123 -0.00704793
0.68705932 0.67884124 0.00982938
0.68694013 0.81029733 0.01251141
0.33984826 0.36872021 0.35570030
0.36558755 0.19936816 0.24151876
0.13527657 0.83093979 0.95644596
0.03640012 0.66973695 -0.03397280
0.97746321 0.78559971 0.91356438
0.88221075 0.80171986 0.87164035
0.84594628 0.92170225 0.82501686
0.71964546 0.86349815 0.71758400
0.63192750 0.81611396 0.72564745
0.59925260 0.73034814 0.66048782
0.65539599 0.69485675 0.58760827
0.64368551 0.60303479 0.51141297
0.78606436 0.69279070 0.49599392
0.74124686 0.74631181 0.57919510
0.77555495 0.83002168 0.64322702
0.90324057 0.02035718 0.82096766
0.00003174 0.00071906 0.86227720
0.03607089 0.88223136 0.90883963
0.83707143 0.22648503 0.34613000
0.75386654 0.35365836 0.46646814
0.74794459 0.69456099 0.28125024
0.83349196 0.56713324 0.16283046
0.20195966 0.17806677 0.13580070
0.02491647 0.18158669 0.10797868
-0.00931197 0.47645133 0.30700502
0.16474407 0.47811784 0.33095072
0.46609078 0.67728048 0.15004500
0.41391421 0.53691345 0.27546987
0.26450837 0.34395003 0.05089933
0.32026863 0.48367492 0.92513326
0.59905243 0.99395251 -0.00380864
0.44302795 0.90388152 -0.03692436
0.60010981 0.52579182 0.99259809
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0.41896184 0.35963544 0.37049079
0.31346557 0.30527965 0.40915884
0.31152497 0.46679309 0.36786284
0.44364567 0.20438231 0.25537557
0.35171214 0.16609423 0.16833038
0.34661363 0.12804425 0.29445365
0.83771181 0.72513211 0.87501978
0.59126616 0.84470797 0.78502915
0.53245049 0.69062703 0.66829516
0.84329235 0.86738922 0.63584521
0.87098954 0.11149497 0.78385100
0.04632708 0.07503280 0.85656535
0.18564780 0.64185791 0.02135350
0.75471712 0.84997268 0.02783305
0.89749371 0.32220225 0.18850550
0.42617892 0.66204704 0.95597578
0.20725818 0.88442200 0.96725095
0.01130035 0.56615043 -0.01401550
0.74973942 0.94717376 0.78440617
0.58037632 0.53507073 0.49563024
0.86190950 0.71211487 0.46646323
0.12874199 0.70467515 0.98835975
0.72297517 0.60909034 0.45717306
No title
1
14.010836 0.792208 -0.806475
0.755913 10.586334 0.307751
-0.829870 0.468432 13.820255
C H O N
43 30 7 2
Direct configuration= 326
0.74867838 0.53175063 0.38133336
0.77049695 0.39961990 0.39915979
0.81590322 0.32852768 0.33192833
0.76729347 0.59200153 0.29462677
0.81339300 0.52108677 0.22806572
0.84118042 0.39088523 0.24906593
-0.00364118 0.32925576 0.20501216
0.05660799 0.24622659 0.15693834
0.15654453 0.24573480 0.17309461
0.03647405 0.41169477 0.26820612
0.13639949 0.41118744 0.28191997
0.19912636 0.32865871 0.23543944
0.30900882 0.33185624 0.25154923
0.33642433 0.42672672 0.17394827
0.39266606 0.52271972 0.19907937
0.42300713 0.60277603 0.12819329
0.30986326 0.41526815 0.07398858
0.33976756 0.49387452 0.00226793
0.39805257 0.58644014 0.02966776
0.51311183 0.71062419 -0.02354682
0.51196516 0.84232888 -0.02359754
0.59937256 0.89157181 -0.00490958
0.60029207 0.62840968 -0.00709098
0.68699480 0.67908391 0.00971913
0.68690640 0.81051304 0.01236912
0.33995581 0.36851408 0.35580718
0.36565102 0.19920779 0.24149281
0.13544014 0.83107492 0.95664679
0.03652750 0.66971254 -0.03405341
0.97753552 0.78575291 0.91358479
0.88227551 0.80179337 0.87160786
0.84596590 0.92189015 0.82505505
0.71963418 0.86360650 0.71752887
0.63187462 0.81626918 0.72561978
0.59923850 0.73040637 0.66041166
0.65538520 0.69485910 0.58762719
0.64369875 0.60308927 0.51140577
0.78605966 0.69271974 0.49599453
0.74129729 0.74632776 0.57917176
0.77556944 0.83006868 0.64322607
0.90322062 0.02065421 0.82112984
0.00001986 0.00102892 0.86249138
0.03607997 0.88243916 0.90896288
0.83699733 0.22624261 0.34616503
0.75381436 0.35353598 0.46648996
0.74803017 0.69454179 0.28128270
0.83355437 0.56704123 0.16286481
0.20192538 0.17784804 0.13578633
0.02485412 0.18141090 0.10796980
-0.00928112 0.47629904 0.30708420
0.16484206 0.47798529 0.33100703
0.46626819 0.67712022 0.15002519
0.41416042 0.53667578 0.27545386
0.26416073 0.34413914 0.05083750
0.31990032 0.48394599 0.92505433
0.59888256 0.99421435 -0.00395769
0.44286372 0.90405311 -0.03702495
0.60009777 0.52588507 0.99264401
0.75479025 0.61422517 0.02105335
0.41908539 0.35942328 0.37066280
0.31357089 0.30497744 0.40921370
0.31159470 0.46661321 0.36799904
0.44374670 0.20415647 0.25532778
0.35173109 0.16592946 0.16831129
0.34678818 0.12779996 0.29444287
0.83782734 0.72513875 0.87488313
0.59121109 0.84487582 0.78495513
0.53233705 0.69077763 0.66818236
0.84334697 0.86747747 0.63586425
0.87092367 0.11181073 0.78409805
0.04630392 0.07536840 0.85693873
0.18581774 0.64186926 0.02136338
0.75463776 0.85028765 0.02763301
0.89747526 0.32201099 0.18855597
0.42604681 0.66209001 0.95587812
0.20725942 0.88459509 0.96748150
0.01145320 0.56598405 -0.01428049
0.74967491 0.94737415 0.78437481
0.58024644 0.53508236 0.49548888
0.86192278 0.71211153 0.46650760
0.12886084 0.70476744 0.98834363
0.72300487 0.60899975 0.45715697
No title
1
14.002298 0.791251 -0.815421
0.755024 10.577692 0.307816
-0.838730 0.469075 13.812050
C H O N
43 30 7 2
Direct configuration= 327
0.74877918 0.53143714 0.38154560
0.77023943 0.39927778 0.39915720
0.81579256 0.32809413 0.33211014
0.76718870 0.59194266 0.29467255
0.81354547 0.52082201 0.22815143
0.84105314 0.39027042 0.24904908
-0.00364766 0.32873328 0.20499228
0.05655498 0.24572390 0.15688808
0.15649059 0.24519069 0.17301655
0.03647656 0.41121688 0.26825500
0.13645797 0.41075976 0.28193313
0.19922499 0.32808499 0.23539156
0.30922198 0.33150876 0.25160763
0.33657923 0.42650451 0.17403630
0.39298077 0.52250906 0.19912474
0.42333094 0.60249077 0.12824739
0.30945497 0.41553020 0.07402515
0.33936874 0.49411668 0.00224233
0.39792446 0.58662713 0.02963683
0.51300301 0.71082948 -0.02373320
0.51163803 0.84267105 -0.02394695
0.59918670 0.89217247 -0.00528363
0.60023112 0.62871696 -0.00725493
0.68694022 0.67959067 0.00950438
0.68684508 0.81113171 0.01205297
0.34016848 0.36796627 0.35594322
0.36580474 0.19889157 0.24143609
0.13539166 0.83132390 0.95709097
0.03682426 0.66971879 -0.03423712
0.97775391 0.78592832 0.91363316
0.88239743 0.80202025 0.87149982
0.84597245 0.92245821 0.82514313
0.71953749 0.86378747 0.71748843
0.63175001 0.81664161 0.72553210
0.59911817 0.73052375 0.66028107
0.65552625 0.69494101 0.58768456
0.64343433 0.60312259 0.51123967
0.78608669 0.69254722 0.49603754
0.74132539 0.74633649 0.57919086
0.77570265 0.83021260 0.64313030
0.90311942 0.02133389 0.82150354
-0.00002196 0.00177547 0.86299858
0.03622556 0.88291059 0.90918677
0.83682584 0.22566948 0.34622428
0.75373708 0.35326879 0.46651688
0.74827597 0.69455501 0.28132119
0.83373631 0.56689649 0.16283982
0.20173293 0.17743939 0.13582871
0.02475211 0.18107336 0.10802514
-0.00915739 0.47593099 0.30726468
0.16505103 0.47761654 0.33110291
0.46666847 0.67668021 0.14995585
0.41474429 0.53613924 0.27536446
0.26336618 0.34453863 0.05071615
0.31902187 0.48448855 0.92480465
0.59849529 0.99485706 -0.00428586
0.44251605 0.90439114 -0.03723351
0.60001372 0.52606590 0.99272608
0.75469444 0.61482426 0.02096950
0.41935927 0.35891342 0.37110529
0.31386395 0.30425608 0.40931867
0.31176315 0.46618522 0.36831328
0.44391907 0.20362203 0.25524197
0.35175374 0.16556700 0.16826320
0.34721235 0.12730402 0.29437632
0.83804980 0.72513547 0.87454003
0.59108445 0.84526120 0.78479009
0.53208985 0.69113516 0.66790514
0.84347694 0.86769478 0.63593807
0.87075806 0.11260818 0.78463209
0.04624277 0.07624731 0.85783124
0.18625463 0.64198683 0.02139318
0.75438368 0.85094466 0.02713149
0.89740012 0.32160897 0.18870930
0.42579233 0.66219394 0.95564424
0.20758174 0.88517462 0.96805575
0.01184902 0.56559964 -0.01490574
0.74959140 0.94776645 0.78425635
0.58009944 0.53521510 0.49519944
0.86194216 0.71217626 0.46660462
0.12915147 0.70469743 0.98837760
0.72297468 0.60880019 0.45719023
No title
1
13.998114 0.790782 -0.819805
0.754589 10.573457 0.307847
-0.843071 0.469390 13.808029
C H O N
43 30 7 2
Direct configuration= 328
0.74882868 0.53128340 0.38164969
0.77011317 0.39911001 0.39915584
0.81573836 0.32788152 0.33219925
0.76713735 0.59191380 0.29469497
0.81362025 0.52069218 0.22819351
0.84099073 0.38996892 0.24904078
-0.00365086 0.32847707 0.20498254
0.05652897 0.24547739 0.15686343
0.15646412 0.24492388 0.17297826
0.03647780 0.41098252 0.26827897
0.13648664 0.41055004 0.28193961
0.19927333 0.32780365 0.23536812
0.30932652 0.33133836 0.25163634
0.33665521 0.42639554 0.17407952
0.39313508 0.52240575 0.19914709
0.42348971 0.60235088 0.12827402
0.30925480 0.41565870 0.07404294
0.33917320 0.49423543 0.00222965
0.39786165 0.58671883 0.02962162
0.51294959 0.71093017 -0.02382462
0.51147753 0.84283887 -0.02411837
0.59909545 0.89246704 -0.00546709
0.60020119 0.62886766 -0.00733534
0.68691338 0.67983919 0.00939906
0.68681492 0.81143511 0.01189794
0.34027279 0.36769762 0.35600999
0.36588008 0.19873650 0.24140833
0.13536804 0.83144597 0.95730873
0.03696971 0.66972187 -0.03432710
0.97786100 0.78601433 0.91365695
0.88245717 0.80213151 0.87144689
0.84597569 0.92273678 0.82518631
0.71949006 0.86387622 0.71746858
0.63168888 0.81682425 0.72548907
0.59905912 0.73058132 0.66021700
0.65559543 0.69498118 0.58771273
0.64330463 0.60313893 0.51115814
0.78609996 0.69246261 0.49605864
0.74133917 0.74634077 0.57920023
0.77576794 0.83028319 0.64308339
0.90306994 0.02166717 0.82168672
-0.00004229 0.00214152 0.86324723
0.03629702 0.88314176 0.90929659
0.83674178 0.22538843 0.34625327
0.75369919 0.35313776 0.46653006
0.74839650 0.69456149 0.28134014
0.83382550 0.56682552 0.16282764
0.20163858 0.17723899 0.13584943
0.02470211 0.18090783 0.10805224
-0.00909667 0.47575050 0.30735321
0.16515351 0.47743570 0.33114999
0.46686470 0.67646444 0.14992200
0.41503053 0.53587614 0.27532083
0.26297657 0.34473454 0.05065639
0.31859109 0.48475462 0.92468193
0.59830531 0.99517225 -0.00444689
0.44234552 0.90455691 -0.03733589
0.59997254 0.52615457 0.99276628
0.75464745 0.61511805 0.02092835
0.41949370 0.35866336 0.37132234
0.31400767 0.30390233 0.40937025
0.31184583 0.46597531 0.36846741
0.44400354 0.20335996 0.25519997
0.35176482 0.16538926 0.16823964
0.34742029 0.12706083 0.29434385
0.83815875 0.72513388 0.87437188
0.59102231 0.84545020 0.78470912
0.53196856 0.69131050 0.66776913
0.84354070 0.86780134 0.63597431
0.87067704 0.11299919 0.78489386
0.04621309 0.07667824 0.85826880
0.18646884 0.64204449 0.02140793
0.75425894 0.85126688 0.02688551
0.89736332 0.32141182 0.18878445
0.42566748 0.66224492 0.95552948
0.20773997 0.88545877 0.96833740
0.01204287 0.56541117 -0.01521215
0.74955042 0.94795884 0.78419824
0.58002728 0.53528021 0.49505748
0.86195169 0.71220800 0.46665219
0.12929397 0.70466310 0.98839436
0.72295989 0.60870233 0.45720652
No title
1
13.990841 0.790055 -0.827843
0.753801 10.567032 0.307281
-0.851020 0.469216 13.800447
C H O N
43 30 7 2
Direct configuration= 329
0.74902746 0.53108647 0.38178700
0.76977570 0.39876463 0.39917763
0.81570484 0.32737367 0.33230992
0.76709337 0.59157466 0.29463553
0.81371892 0.52048997 0.22832161
0.84091486 0.38960491 0.24906806
-0.00371836 0.32794562 0.20508641
0.05648287 0.24504524 0.15683095
0.15646492 0.24453155 0.17293645
0.03652440 0.41068122 0.26838302
0.13661011 0.41023746 0.28194259
0.19932867 0.32733328 0.23540130
0.30946191 0.33100934 0.25168485
0.33685479 0.42614223 0.17416708
0.39336845 0.52216618 0.19899893
0.42372886 0.60204252 0.12833789
0.30881870 0.41588432 0.07404068
0.33881762 0.49449519 0.00217601
0.39776598 0.58685223 0.02958089
0.51273940 0.71118989 -0.02402484
0.51128294 0.84315152 -0.02439261
0.59886201 0.89290957 -0.00581768
0.60009902 0.62913260 -0.00752705
0.68690816 0.68027775 0.00924758
0.68656295 0.81204663 0.01157645
0.34043769 0.36723873 0.35607956
0.36604288 0.19846054 0.24135788
0.13555935 0.83201414 0.95771963
0.03718534 0.66954368 -0.03446155
0.97801560 0.78607025 0.91362644
0.88256252 0.80244068 0.87132227
0.84587394 0.92318675 0.82525902
0.71949982 0.86399918 0.71742130
0.63154231 0.81702558 0.72530526
0.59894052 0.73077046 0.66017641
0.65562469 0.69498116 0.58772675
0.64308139 0.60331498 0.51097401
0.78614550 0.69236808 0.49615843
0.74140989 0.74634041 0.57925629
0.77584219 0.83049596 0.64307275
0.90295999 0.02231274 0.82202915
-0.00005851 0.00276674 0.86372821
0.03650052 0.88346283 0.90948914
0.83658140 0.22488407 0.34630477
0.75365078 0.35286484 0.46659143
0.74863739 0.69467737 0.28134172
0.83400913 0.56670983 0.16277588
0.20144840 0.17682260 0.13587480
0.02459239 0.18053817 0.10807399
-0.00892861 0.47536792 0.30748210
0.16529603 0.47700089 0.33116314
0.46728082 0.67611202 0.14988966
0.41560746 0.53545412 0.27535397
0.26235219 0.34513617 0.05061801
0.31783056 0.48515467 0.92453098
0.59798116 0.99583221 -0.00472324
0.44203525 0.90480694 -0.03750860
0.59985247 0.52629614 0.99280670
0.75456835 0.61570753 0.02082487
0.41971508 0.35819668 0.37173541
0.31430391 0.30323750 0.40943851
0.31202268 0.46550723 0.36872573
0.44414985 0.20290641 0.25515410
0.35174934 0.16509099 0.16815619
0.34778185 0.12666749 0.29427573
0.83829638 0.72512737 0.87403506
0.59088820 0.84581653 0.78460627
0.53175234 0.69159918 0.66749897
0.84368536 0.86802031 0.63606170
0.87049794 0.11382081 0.78530536
0.04615497 0.07758724 0.85907585
0.18694371 0.64217833 0.02146810
0.75413409 0.85185845 0.02644834
0.89726455 0.32093321 0.18885226
0.42555624 0.66233313 0.95538366
0.20780895 0.88573585 0.96883974
0.01245251 0.56522995 -0.01579935
0.74958563 0.94827352 0.78408621
0.57980326 0.53529242 0.49479443
0.86196378 0.71231456 0.46672329
0.12953016 0.70451116 0.98847489
0.72284620 0.60855676 0.45734685
No title
1
13.988295 0.789800 -0.830656
0.753525 10.564783 0.307082
-0.853802 0.469155 13.797793
C H O N
43 30 7 2
Direct configuration= 330
0.74909711 0.53101749 0.38183513
0.76965752 0.39864367 0.39918519
0.81569312 0.32719582 0.33234867
0.76707795 0.59145589 0.29461470
0.81375350 0.52041915 0.22836649
0.84088829 0.38947743 0.24907759
-0.00374198 0.32775950 0.20512276
0.05646672 0.24489390 0.15681956
0.15646519 0.24439415 0.17292180
0.03654073 0.41057569 0.26841947
0.13665334 0.41012799 0.28194365
0.19934806 0.32716855 0.23541292
0.30950934 0.33089411 0.25170187
0.33692470 0.42605351 0.17419778
0.39345014 0.52208228 0.19894709
0.42381262 0.60193453 0.12836031
0.30866597 0.41596334 0.07403980
0.33869308 0.49458617 0.00215715
0.39773247 0.58689895 0.02956661
0.51266575 0.71128085 -0.02409500
0.51121474 0.84326103 -0.02448869
0.59878019 0.89306455 -0.00594050
0.60006320 0.62922538 -0.00759421
0.68690630 0.68043135 0.00919453
0.68647465 0.81226080 0.01146381
0.34049545 0.36707801 0.35610395
0.36609988 0.19836389 0.24134025
0.13562644 0.83221312 0.95786358
0.03726083 0.66948127 -0.03450860
0.97806973 0.78608983 0.91361578
0.88259939 0.80254896 0.87127866
0.84583832 0.92334434 0.82528447
0.71950322 0.86404224 0.71740475
0.63149094 0.81709610 0.72524086
0.59889897 0.73083670 0.66016217
0.65563494 0.69498116 0.58773166
0.64300317 0.60337663 0.51090947
0.78616147 0.69233497 0.49619339
0.74143466 0.74634028 0.57927593
0.77586819 0.83057047 0.64306904
0.90292156 0.02253882 0.82214906
-0.00006408 0.00298570 0.86389666
0.03657183 0.88357527 0.90955662
0.83652524 0.22470743 0.34632277
0.75363384 0.35276926 0.46661291
0.74872175 0.69471796 0.28134233
0.83407343 0.56666931 0.16275779
0.20138180 0.17667678 0.13588363
0.02455397 0.18040871 0.10808158
-0.00886973 0.47523393 0.30752728
0.16534594 0.47684860 0.33116778
0.46742654 0.67598860 0.14987842
0.41580951 0.53530632 0.27536570
0.26213353 0.34527683 0.05060444
0.31756419 0.48529477 0.92447796
0.59786759 0.99606335 -0.00482009
0.44192655 0.90489451 -0.03756915
0.59981043 0.52634573 0.99282083
0.75454063 0.61591398 0.02078862
0.41979269 0.35803323 0.37188012
0.31440767 0.30300466 0.40946248
0.31208467 0.46534330 0.36881623
0.44420107 0.20274757 0.25513806
0.35174390 0.16498653 0.16812696
0.34790845 0.12652974 0.29425194
0.83834451 0.72512510 0.87391713
0.59084122 0.84594483 0.78457022
0.53167656 0.69170028 0.66740432
0.84373604 0.86809699 0.63609234
0.87043531 0.11410855 0.78544944
0.04613480 0.07790557 0.85935848
0.18711002 0.64222520 0.02148927
0.75409028 0.85206563 0.02629522
0.89722997 0.32076559 0.18887599
0.42551725 0.66236402 0.95533257
0.20783321 0.88583288 0.96901569
0.01259584 0.56516649 -0.01600491
0.74959794 0.94838373 0.78404698
0.57972476 0.53529670 0.49470226
0.86196804 0.71235188 0.46674819
0.12961289 0.70445795 0.98850315
0.72280642 0.60850577 0.45739597
No title
1
13.983849 0.789318 -0.837487
0.752992 10.560525 0.306746
-0.860701 0.469262 13.790883
C H O N
43 30 7 2
Direct configuration= 331
0.74923952 0.53086409 0.38190619
0.76940651 0.39828951 0.39912069
0.81562602 0.32683045 0.33235882
0.76707301 0.59124740 0.29454676
0.81386213 0.52021696 0.22831593
0.84086395 0.38926805 0.24923957
-0.00380113 0.32728713 0.20535338
0.05639505 0.24460524 0.15687915
0.15644011 0.24416426 0.17295451
0.03666578 0.41027509 0.26849219
0.13677857 0.40982722 0.28190654
0.19941337 0.32686459 0.23552393
0.30958972 0.33056912 0.25172013
0.33702154 0.42574291 0.17416124
0.39369430 0.52172405 0.19895893
0.42402154 0.60178564 0.12825518
0.30828796 0.41619888 0.07400402
0.33831328 0.49483929 0.00205016
0.39765439 0.58690666 0.02947836
0.51245549 0.71157056 -0.02430573
0.51103622 0.84357431 -0.02471113
0.59844289 0.89360979 -0.00627743
0.59998936 0.62947600 -0.00777607
0.68672217 0.68089072 0.00904185
0.68621712 0.81275287 0.01115335
0.34066352 0.36668240 0.35621131
0.36623414 0.19807870 0.24126595
0.13570596 0.83249656 0.95820255
0.03757929 0.66953218 -0.03468779
0.97823610 0.78621315 0.91349082
0.88264170 0.80277120 0.87115789
0.84576326 0.92372283 0.82536642
0.71959647 0.86414552 0.71732405
0.63137596 0.81729687 0.72512623
0.59878885 0.73097819 0.66004764
0.65547230 0.69494974 0.58772412
0.64281594 0.60357030 0.51076778
0.78619320 0.69235497 0.49635369
0.74153739 0.74632539 0.57937149
0.77588654 0.83083713 0.64317357
0.90280086 0.02316309 0.82248167
-0.00003541 0.00350085 0.86438474
0.03669425 0.88379274 0.90973154
0.83638555 0.22418085 0.34638115
0.75356802 0.35243133 0.46678004
0.74899248 0.69467157 0.28133990
0.83422431 0.56649046 0.16280926
0.20126790 0.17614733 0.13583598
0.02440217 0.17992032 0.10801314
-0.00870241 0.47489285 0.30765017
0.16547378 0.47642101 0.33115626
0.46787477 0.67569919 0.14990600
0.41637070 0.53496028 0.27542200
0.26162786 0.34567718 0.05063374
0.31690950 0.48559332 0.92446795
0.59759188 0.99664771 -0.00506736
0.44165216 0.90506987 -0.03771760
0.59966098 0.52649135 0.99281553
0.75458853 0.61642092 0.02068318
0.41996332 0.35759905 0.37224623
0.31470019 0.30238050 0.40949050
0.31226900 0.46482533 0.36902242
0.44439684 0.20238369 0.25512827
0.35169510 0.16474423 0.16800144
0.34819789 0.12618261 0.29421108
0.83844702 0.72521359 0.87356772
0.59072768 0.84628580 0.78446676
0.53147101 0.69192530 0.66713708
0.84388263 0.86832128 0.63619497
0.87024842 0.11494231 0.78578053
0.04604541 0.07881606 0.86011344
0.18763318 0.64231862 0.02159116
0.75405020 0.85262641 0.02590347
0.89709423 0.32019218 0.18885573
0.42545295 0.66241513 0.95528193
0.20803525 0.88613185 0.96954872
0.01288754 0.56472094 -0.01649301
0.74963037 0.94867848 0.78392275
0.57942231 0.53526875 0.49445993
0.86195474 0.71245760 0.46679607
0.12981911 0.70458070 0.98858289
0.72277459 0.60840352 0.45749348
No title
1
13.981602 0.789075 -0.840939
0.752723 10.558372 0.306576
-0.864188 0.469317 13.787391
C H O N
43 30 7 2
Direct configuration= 332
0.74931154 0.53078652 0.38194216
0.76927958 0.39811043 0.39908800
0.81559209 0.32664570 0.33236393
0.76707049 0.59114198 0.29451240
0.81391704 0.52011473 0.22829039
0.84085167 0.38916218 0.24932147
-0.00383098 0.32704827 0.20546998
0.05635883 0.24445928 0.15690927
0.15642744 0.24404801 0.17297105
0.03672902 0.41012310 0.26852899
0.13684187 0.40967514 0.28188781
0.19944642 0.32671089 0.23558008
0.30963036 0.33040479 0.25172939
0.33707049 0.42558586 0.17414278
0.39381775 0.52154291 0.19896498
0.42412714 0.60171035 0.12820207
0.30809683 0.41631798 0.07398583
0.33812122 0.49496729 0.00199596
0.39761489 0.58691056 0.02943371
0.51234913 0.71171706 -0.02441236
0.51094590 0.84373273 -0.02482367
0.59827226 0.89388550 -0.00644790
0.59995197 0.62960273 -0.00786805
0.68662904 0.68112300 0.00896460
0.68608683 0.81300169 0.01099628
0.34074852 0.36648236 0.35626564
0.36630201 0.19793451 0.24122841
0.13574626 0.83263987 0.95837399
0.03774026 0.66955792 -0.03477832
0.97832019 0.78627550 0.91342767
0.88266307 0.80288358 0.87109683
0.84572533 0.92391421 0.82540785
0.71964359 0.86419775 0.71728327
0.63131779 0.81739840 0.72506823
0.59873314 0.73104973 0.65998969
0.65539006 0.69493386 0.58772026
0.64272124 0.60366823 0.51069608
0.78620929 0.69236507 0.49643476
0.74158936 0.74631785 0.57941984
0.77589585 0.83097196 0.64322645
0.90273992 0.02347873 0.82264985
-0.00002078 0.00376132 0.86463157
0.03675620 0.88390269 0.90982004
0.83631493 0.22391459 0.34641063
0.75353478 0.35226045 0.46686454
0.74912937 0.69464812 0.28133874
0.83430060 0.56640003 0.16283533
0.20121029 0.17587962 0.13581184
0.02432540 0.17967336 0.10797848
-0.00861778 0.47472038 0.30771235
0.16553840 0.47620480 0.33115047
0.46810140 0.67555285 0.14992006
0.41665445 0.53478530 0.27545062
0.26137220 0.34587962 0.05064843
0.31657847 0.48574428 0.92446272
0.59745242 0.99694320 -0.00519247
0.44151338 0.90515855 -0.03779275
0.59958542 0.52656498 0.99281281
0.75461273 0.61667726 0.02062987
0.42004968 0.35737950 0.37243142
0.31484809 0.30206490 0.40950475
0.31236225 0.46456341 0.36912674
0.44449582 0.20219969 0.25512337
0.35167039 0.16462172 0.16793795
0.34834422 0.12600709 0.29419049
0.83849876 0.72525835 0.87339104
0.59067025 0.84645822 0.78441441
0.53136701 0.69203910 0.66700188
0.84395678 0.86843468 0.63624691
0.87015403 0.11536388 0.78594793
0.04600043 0.07927642 0.86049521
0.18789772 0.64236585 0.02164283
0.75402984 0.85290998 0.02570535
0.89702559 0.31990224 0.18884544
0.42542043 0.66244097 0.95525630
0.20813755 0.88628300 0.96981833
0.01303489 0.56449566 -0.01673977
0.74964674 0.94882752 0.78385994
0.57926933 0.53525462 0.49433730
0.86194802 0.71251106 0.46682029
0.12992340 0.70464276 0.98862327
0.72275852 0.60835181 0.45754278
No title
1
13.976930 0.787040 -0.847206
0.751120 10.553331 0.307223
-0.870593 0.470704 13.781271
C H O N
43 30 7 2
Direct configuration= 333
0.74932854 0.53059500 0.38195218
0.76913936 0.39779171 0.39904786
0.81545558 0.32633542 0.33237086
0.76714355 0.59110314 0.29446468
0.81398054 0.51989428 0.22820865
0.84092901 0.38893707 0.24942469
-0.00389570 0.32660402 0.20571549
0.05623490 0.24415060 0.15698260
0.15640140 0.24379091 0.17299797
0.03683588 0.40978498 0.26857907
0.13693259 0.40940408 0.28185792
0.19957294 0.32645730 0.23566822
0.30971824 0.33009269 0.25173385
0.33707672 0.42532690 0.17407844
0.39413390 0.52117853 0.19904922
0.42430393 0.60159081 0.12812312
0.30780264 0.41657958 0.07388441
0.33771591 0.49518931 0.00194270
0.39755945 0.58684197 0.02928248
0.51226853 0.71192590 -0.02459190
0.51063602 0.84406944 -0.02504551
0.59798322 0.89450220 -0.00674845
0.59978671 0.62985641 -0.00805057
0.68644942 0.68150823 0.00881447
0.68592380 0.81354668 0.01070841
0.34095250 0.36604923 0.35640503
0.36642684 0.19762468 0.24113885
0.13589056 0.83277069 0.95866551
0.03798285 0.66927337 -0.03494301
0.97847126 0.78642627 0.91323901
0.88270770 0.80302511 0.87098856
0.84575358 0.92430430 0.82550313
0.71960477 0.86435087 0.71730264
0.63131981 0.81765171 0.72502503
0.59855457 0.73115814 0.65984839
0.65529270 0.69499650 0.58763510
0.64240829 0.60357512 0.51054104
0.78624112 0.69243977 0.49658711
0.74155923 0.74628232 0.57960965
0.77599243 0.83114608 0.64324962
0.90266957 0.02407550 0.82300805
-0.00002077 0.00428213 0.86508641
0.03679467 0.88417347 0.90997409
0.83617508 0.22344068 0.34645200
0.75345174 0.35190590 0.46703745
0.74942336 0.69442084 0.28133889
0.83444392 0.56618339 0.16291966
0.20111044 0.17534955 0.13575346
0.02418575 0.17918830 0.10791635
-0.00844637 0.47442366 0.30784434
0.16568928 0.47585046 0.33116571
0.46855811 0.67526768 0.14997614
0.41720058 0.53446213 0.27549909
0.26090539 0.34624801 0.05070060
0.31597150 0.48597752 0.92447949
0.59719261 0.99747121 -0.00543362
0.44124898 0.90529549 -0.03792966
0.59942421 0.52676456 0.99276810
0.75467486 0.61720737 0.02050895
0.42020418 0.35696491 0.37274831
0.31512333 0.30145438 0.40951451
0.31253035 0.46406898 0.36930649
0.44471989 0.20191166 0.25512462
0.35160560 0.16441456 0.16778197
0.34857141 0.12566299 0.29418055
0.83857699 0.72542531 0.87302665
0.59058654 0.84678017 0.78428500
0.53116875 0.69222905 0.66673671
0.84405008 0.86864696 0.63637485
0.86998700 0.11613439 0.78627052
0.04585233 0.08010968 0.86123987
0.18833284 0.64254736 0.02170644
0.75393623 0.85340413 0.02531916
0.89687799 0.31936489 0.18888088
0.42530659 0.66247704 0.95521133
0.20833141 0.88653816 0.97038095
0.01337411 0.56435588 -0.01724849
0.74961645 0.94914711 0.78372343
0.57908274 0.53542726 0.49414290
0.86189228 0.71260653 0.46687255
0.13026047 0.70484921 0.98879917
0.72283057 0.60828229 0.45756674
No title
1
13.975405 0.786376 -0.849251
0.750598 10.551686 0.307435
-0.872684 0.471157 13.779273
C H O N
43 30 7 2
Direct configuration= 334
0.74933408 0.53053247 0.38195545
0.76909357 0.39768764 0.39903473
0.81541101 0.32623410 0.33237311
0.76716740 0.59109047 0.29444911
0.81400125 0.51982231 0.22818197
0.84095426 0.38886357 0.24945841
-0.00391681 0.32645895 0.20579564
0.05619444 0.24404980 0.15700653
0.15639290 0.24370697 0.17300676
0.03687076 0.40967459 0.26859544
0.13696220 0.40931558 0.28184818
0.19961425 0.32637450 0.23569702
0.30974693 0.32999079 0.25173533
0.33707874 0.42524235 0.17405744
0.39423712 0.52105957 0.19907678
0.42436162 0.60155179 0.12809737
0.30770659 0.41666500 0.07385125
0.33758358 0.49526178 0.00192524
0.39754132 0.58681958 0.02923310
0.51224219 0.71199409 -0.02465054
0.51053482 0.84417937 -0.02511800
0.59788882 0.89470356 -0.00684664
0.59973274 0.62993924 -0.00811020
0.68639077 0.68163401 0.00876541
0.68587055 0.81372464 0.01061438
0.34101911 0.36590781 0.35645058
0.36646757 0.19752352 0.24110963
0.13593772 0.83281340 0.95876072
0.03806202 0.66918048 -0.03499675
0.97852056 0.78647551 0.91317743
0.88272226 0.80307133 0.87095321
0.84576283 0.92443167 0.82553424
0.71959211 0.86440086 0.71730896
0.63132047 0.81773442 0.72501091
0.59849625 0.73119354 0.65980222
0.65526090 0.69501695 0.58760727
0.64230609 0.60354471 0.51049036
0.78625155 0.69246416 0.49663685
0.74154942 0.74627071 0.57967162
0.77602397 0.83120294 0.64325719
0.90264667 0.02427032 0.82312499
-0.00002068 0.00445215 0.86523491
0.03680726 0.88426188 0.91002440
0.83612941 0.22328593 0.34646549
0.75342464 0.35179012 0.46709390
0.74951934 0.69434665 0.28133898
0.83449071 0.56611266 0.16294722
0.20107781 0.17517648 0.13573440
0.02414014 0.17902992 0.10789606
-0.00839039 0.47432678 0.30788746
0.16573853 0.47573477 0.33117072
0.46870721 0.67517458 0.14999452
0.41737888 0.53435664 0.27551501
0.26075301 0.34636827 0.05071756
0.31577335 0.48605365 0.92448487
0.59710777 0.99764361 -0.00551240
0.44116265 0.90534020 -0.03797440
0.59937158 0.52682972 0.99275348
0.75469514 0.61738046 0.02046947
0.42025466 0.35682953 0.37285180
0.31521317 0.30125505 0.40951775
0.31258525 0.46390754 0.36936521
0.44479303 0.20181763 0.25512507
0.35158442 0.16434692 0.16773103
0.34864558 0.12555064 0.29417735
0.83860248 0.72547985 0.87290768
0.59055920 0.84688529 0.78424272
0.53110399 0.69229108 0.66665010
0.84408057 0.86871627 0.63641664
0.86993255 0.11638595 0.78637582
0.04580413 0.08038170 0.86148297
0.18847491 0.64260665 0.02172728
0.75390562 0.85356549 0.02519304
0.89682980 0.31918944 0.18889244
0.42526941 0.66248881 0.95519663
0.20839479 0.88662144 0.97056468
0.01348477 0.56431028 -0.01741454
0.74960654 0.94925147 0.78367884
0.57902179 0.53548363 0.49407939
0.86187409 0.71263769 0.46688960
0.13037055 0.70491662 0.98885665
0.72285410 0.60825959 0.45757458
No title
1
13.971427 0.783708 -0.854518
0.748610 10.546838 0.308800
-0.878140 0.473417 13.774425
C H O N
43 30 7 2
Direct configuration= 335
0.74923285 0.53041361 0.38186317
0.76905848 0.39745155 0.39913960
0.81525585 0.32594313 0.33238324
0.76737074 0.59092524 0.29446625
0.81397699 0.51963014 0.22822157
0.84105559 0.38858118 0.24944811
-0.00398629 0.32602599 0.20590412
0.05606831 0.24367155 0.15704954
0.15638057 0.24336405 0.17298264
0.03686503 0.40939011 0.26866312
0.13704777 0.40911459 0.28185902
0.19973815 0.32611902 0.23567758
0.30987996 0.32974273 0.25173990
0.33706842 0.42520732 0.17406139
0.39455933 0.52076971 0.19907905
0.42448491 0.60137840 0.12814724
0.30749987 0.41680606 0.07378855
0.33724512 0.49547199 0.00187995
0.39753619 0.58674975 0.02913705
0.51218162 0.71216648 -0.02477823
0.51028597 0.84444792 -0.02528460
0.59772668 0.89510117 -0.00706024
0.59958494 0.63011619 -0.00823923
0.68634159 0.68192865 0.00863695
0.68574082 0.81422225 0.01036753
0.34121504 0.36549080 0.35655560
0.36659419 0.19723221 0.24103496
0.13618472 0.83291734 0.95897140
0.03831488 0.66917507 -0.03523209
0.97863311 0.78647839 0.91301005
0.88280920 0.80323912 0.87084374
0.84584346 0.92476176 0.82560801
0.71952739 0.86461648 0.71736322
0.63131974 0.81787329 0.72498272
0.59837479 0.73135847 0.65967808
0.65515223 0.69512735 0.58750329
0.64231374 0.60355258 0.51042520
0.78619157 0.69248776 0.49673718
0.74147472 0.74625082 0.57984574
0.77608047 0.83121001 0.64325818
0.90262980 0.02479623 0.82343458
-0.00007379 0.00495593 0.86558903
0.03684555 0.88456332 0.91015957
0.83598888 0.22300040 0.34646949
0.75334731 0.35151645 0.46715779
0.74976409 0.69414432 0.28132047
0.83462958 0.56592828 0.16297395
0.20095891 0.17480462 0.13571691
0.02405800 0.17869048 0.10790926
-0.00822200 0.47409749 0.30800237
0.16589998 0.47553817 0.33122901
0.46908733 0.67489811 0.15004608
0.41784428 0.53407649 0.27557585
0.26035991 0.34664130 0.05075696
0.31527128 0.48619877 0.92446399
0.59688545 0.99813912 -0.00572371
0.44085189 0.90548944 -0.03809926
0.59922011 0.52705724 0.99267160
0.75469063 0.61790959 0.02033904
0.42042427 0.35648392 0.37307259
0.31541370 0.30070663 0.40953739
0.31270549 0.46353360 0.36950415
0.44497131 0.20164429 0.25511487
0.35152568 0.16419470 0.16757556
0.34877816 0.12523980 0.29419431
0.83861370 0.72564140 0.87257826
0.59052174 0.84715306 0.78410902
0.53090117 0.69241124 0.66643097
0.84412440 0.86889260 0.63654275
0.86983476 0.11692003 0.78669105
0.04562008 0.08099749 0.86213070
0.18878080 0.64285810 0.02174930
0.75377141 0.85394450 0.02486410
0.89674382 0.31881979 0.18904998
0.42511506 0.66253313 0.95508885
0.20848516 0.88678259 0.97105671
0.01376054 0.56410885 -0.01780673
0.74955219 0.94960836 0.78361017
0.57869379 0.53553814 0.49387513
0.86185160 0.71275558 0.46694604
0.13066368 0.70502637 0.98908741
0.72292793 0.60817197 0.45754301
No title
1
13.968431 0.781699 -0.858484
0.747113 10.543188 0.309828
-0.882249 0.475119 13.770775
C H O N
43 30 7 2
Direct configuration= 336
0.74915655 0.53032406 0.38179362
0.76903206 0.39727365 0.39921861
0.81513895 0.32572389 0.33239084
0.76752389 0.59080079 0.29447923
0.81395872 0.51948536 0.22825140
0.84113190 0.38836846 0.24944040
-0.00403863 0.32569977 0.20598584
0.05597328 0.24338655 0.15708193
0.15637125 0.24310570 0.17296450
0.03686070 0.40917578 0.26871412
0.13711221 0.40896318 0.28186722
0.19983145 0.32592657 0.23566299
0.30998016 0.32955587 0.25174340
0.33706064 0.42518094 0.17406437
0.39480201 0.52055138 0.19908087
0.42457777 0.60124778 0.12818486
0.30734415 0.41691231 0.07374125
0.33699018 0.49563031 0.00184572
0.39753229 0.58669716 0.02906470
0.51213597 0.71229637 -0.02487446
0.51009848 0.84465024 -0.02541021
0.59760452 0.89540073 -0.00722123
0.59947358 0.63024950 -0.00833650
0.68630453 0.68215065 0.00854013
0.68564306 0.81459717 0.01018150
0.34136263 0.36517664 0.35663481
0.36668952 0.19701278 0.24097877
0.13637085 0.83299564 0.95913019
0.03850527 0.66917108 -0.03540931
0.97871784 0.78648060 0.91288399
0.88287466 0.80336556 0.87076128
0.84590425 0.92501044 0.82566359
0.71947868 0.86477890 0.71740407
0.63131920 0.81797792 0.72496148
0.59828328 0.73148273 0.65958451
0.65507036 0.69521052 0.58742491
0.64231948 0.60355852 0.51037611
0.78614643 0.69250551 0.49681274
0.74141850 0.74623580 0.57997688
0.77612303 0.83121535 0.64325893
0.90261724 0.02519237 0.82366775
-0.00011364 0.00533538 0.86585575
0.03687445 0.88479040 0.91026139
0.83588299 0.22278527 0.34647249
0.75328906 0.35131024 0.46720593
0.74994842 0.69399193 0.28130661
0.83473417 0.56578940 0.16299414
0.20086931 0.17452445 0.13570373
0.02399610 0.17843474 0.10791921
-0.00809514 0.47392476 0.30808900
0.16602160 0.47539007 0.33127298
0.46937364 0.67468987 0.15008506
0.41819484 0.53386550 0.27562183
0.26006383 0.34684692 0.05078651
0.31489310 0.48630802 0.92444809
0.59671795 0.99851243 -0.00588300
0.44061777 0.90560185 -0.03819342
0.59910601 0.52722863 0.99260985
0.75468723 0.61830825 0.02024075
0.42055207 0.35622353 0.37323899
0.31556472 0.30029349 0.40955229
0.31279608 0.46325187 0.36960889
0.44510558 0.20151373 0.25510725
0.35148137 0.16408003 0.16745843
0.34887802 0.12500564 0.29420716
0.83862206 0.72576317 0.87233009
0.59049351 0.84735481 0.78400827
0.53074834 0.69250178 0.66626582
0.84415748 0.86902543 0.63663775
0.86976124 0.11732232 0.78692845
0.04548170 0.08146125 0.86261854
0.18901124 0.64304758 0.02176595
0.75367023 0.85423008 0.02461623
0.89667908 0.31854126 0.18916866
0.42499876 0.66256652 0.95500760
0.20855341 0.88690391 0.97142739
0.01396813 0.56395722 -0.01810207
0.74951125 0.94987723 0.78355839
0.57844666 0.53557920 0.49372116
0.86183468 0.71284438 0.46698854
0.13088457 0.70510905 0.98926133
0.72298353 0.60810597 0.45751925
No title
1
13.964913 0.778719 -0.863220
0.744908 10.538583 0.311129
-0.887186 0.477274 13.766399
C H O N
43 30 7 2
Direct configuration= 337
0.74905400 0.53018470 0.38172386
0.76904246 0.39712810 0.39930871
0.81500628 0.32553016 0.33239279
0.76772561 0.59058780 0.29455087
0.81398524 0.51926711 0.22826292
0.84111389 0.38810192 0.24948599
-0.00407435 0.32532901 0.20602701
0.05592321 0.24301499 0.15713825
0.15631933 0.24279247 0.17294837
0.03687379 0.40889784 0.26877672
0.13718807 0.40876400 0.28187891
0.19987866 0.32568167 0.23558896
0.31013147 0.32935436 0.25174583
0.33706626 0.42522623 0.17409251
0.39507672 0.52029979 0.19911554
0.42472242 0.60111465 0.12819815
0.30717385 0.41695714 0.07378484
0.33674088 0.49582492 0.00177594
0.39753921 0.58666625 0.02906465
0.51198464 0.71248041 -0.02498861
0.50996375 0.84486449 -0.02552914
0.59745018 0.89570584 -0.00739141
0.59945969 0.63042725 -0.00840726
0.68623520 0.68248429 0.00840465
0.68551001 0.81489961 0.00996373
0.34151676 0.36483110 0.35670303
0.36681149 0.19675636 0.24092794
0.13646203 0.83307122 0.95927083
0.03875749 0.66919701 -0.03562063
0.97888846 0.78647956 0.91276332
0.88293936 0.80352682 0.87063280
0.84594283 0.92531696 0.82569393
0.71949990 0.86498106 0.71738321
0.63126599 0.81803449 0.72492033
0.59818262 0.73164478 0.65947613
0.65491445 0.69529555 0.58735831
0.64228811 0.60344388 0.51028681
0.78613925 0.69250989 0.49684614
0.74141027 0.74620458 0.58001713
0.77609900 0.83123136 0.64337987
0.90258157 0.02563313 0.82391402
-0.00016079 0.00573939 0.86617888
0.03695359 0.88500935 0.91039377
0.83574964 0.22257771 0.34646603
0.75321363 0.35108619 0.46722741
0.75015183 0.69386393 0.28127263
0.83484921 0.56562325 0.16301425
0.20076102 0.17423356 0.13569501
0.02392572 0.17815617 0.10795106
-0.00795850 0.47375230 0.30819572
0.16617377 0.47527872 0.33134065
0.46967545 0.67440579 0.15012228
0.41859105 0.53360296 0.27566631
0.25971720 0.34704509 0.05080534
0.31446562 0.48641337 0.92438920
0.59652621 0.99894449 -0.00607128
0.44029317 0.90575718 -0.03830750
0.59896718 0.52740139 0.99251241
0.75467990 0.61876637 0.02011821
0.42074775 0.35592781 0.37339881
0.31571048 0.29979261 0.40958683
0.31289713 0.46292962 0.36971912
0.44523099 0.20139676 0.25507937
0.35144167 0.16395943 0.16732702
0.34896218 0.12473471 0.29421940
0.83860006 0.72591288 0.87203500
0.59046957 0.84758091 0.78389375
0.53057543 0.69260165 0.66608323
0.84417479 0.86915862 0.63674336
0.86970089 0.11772741 0.78722576
0.04532274 0.08197801 0.86318203
0.18931572 0.64321758 0.02181645
0.75356606 0.85457565 0.02434310
0.89665393 0.31823325 0.18933092
0.42486358 0.66263046 0.95486880
0.20874204 0.88713125 0.97186979
0.01422164 0.56382001 -0.01843636
0.74950127 0.95023171 0.78356418
0.57826823 0.53576143 0.49356795
0.86176863 0.71296755 0.46708476
0.13097445 0.70523723 0.98940924
0.72297213 0.60801560 0.45750822
No title
1
13.959376 0.774030 -0.870671
0.741438 10.531337 0.313177
-0.894955 0.480664 13.759515
C H O N
43 30 7 2
Direct configuration= 338
0.74889252 0.52996531 0.38161402
0.76905884 0.39689897 0.39945055
0.81479745 0.32522516 0.33239582
0.76804308 0.59025259 0.29466378
0.81402695 0.51892357 0.22828110
0.84108552 0.38768234 0.24955778
-0.00413061 0.32474539 0.20609185
0.05584436 0.24243008 0.15722693
0.15623756 0.24229940 0.17292300
0.03689436 0.40846034 0.26887528
0.13730743 0.40845051 0.28189737
0.19995288 0.32529624 0.23547249
0.31036957 0.32903723 0.25174978
0.33707513 0.42529751 0.17413680
0.39550902 0.51990386 0.19917028
0.42495006 0.60090516 0.12821918
0.30690588 0.41702763 0.07385335
0.33634854 0.49613116 0.00166594
0.39755010 0.58661760 0.02906457
0.51174645 0.71277010 -0.02516839
0.50975169 0.84520172 -0.02571643
0.59720724 0.89618610 -0.00765940
0.59943782 0.63070705 -0.00851867
0.68612608 0.68300950 0.00819132
0.68530054 0.81537570 0.00962087
0.34175930 0.36428723 0.35681056
0.36700334 0.19635282 0.24084803
0.13660562 0.83319017 0.95949223
0.03915430 0.66923802 -0.03595310
0.97915690 0.78647802 0.91257348
0.88304113 0.80378072 0.87043060
0.84600362 0.92579944 0.82574167
0.71953333 0.86529927 0.71735035
0.63118223 0.81812354 0.72485553
0.59802417 0.73189985 0.65930548
0.65466906 0.69542936 0.58725340
0.64223866 0.60326346 0.51014625
0.78612796 0.69251676 0.49689871
0.74139733 0.74615543 0.58008047
0.77606126 0.83125649 0.64357021
0.90252568 0.02632679 0.82430154
-0.00023471 0.00637518 0.86668738
0.03707827 0.88535397 0.91060214
0.83553974 0.22225096 0.34645583
0.75309488 0.35073348 0.46726122
0.75047189 0.69366254 0.28121927
0.83503022 0.56536176 0.16304599
0.20059054 0.17377566 0.13568126
0.02381491 0.17771764 0.10800120
-0.00774341 0.47348085 0.30836378
0.16641327 0.47510349 0.33144726
0.47015040 0.67395874 0.15018107
0.41921456 0.53318985 0.27573659
0.25917174 0.34735687 0.05083475
0.31379286 0.48657904 0.92429625
0.59622442 0.99962459 -0.00636778
0.43978226 0.90600161 -0.03848726
0.59874867 0.52767329 0.99235893
0.75466838 0.61948752 0.01992527
0.42105574 0.35546235 0.37365052
0.31593979 0.29900425 0.40964136
0.31305618 0.46242239 0.36989273
0.44542831 0.20121270 0.25503558
0.35137909 0.16376963 0.16712018
0.34909457 0.12430827 0.29423877
0.83856527 0.72614863 0.87157052
0.59043187 0.84793684 0.78371347
0.53030322 0.69275887 0.66579574
0.84420211 0.86936823 0.63690956
0.86960617 0.11836490 0.78769359
0.04507301 0.08279115 0.86406875
0.18979497 0.64348528 0.02189607
0.75340203 0.85511965 0.02391311
0.89661438 0.31774835 0.18958632
0.42465077 0.66273110 0.95465026
0.20903924 0.88748900 0.97256617
0.01462038 0.56360428 -0.01896234
0.74948565 0.95078966 0.78357323
0.57798737 0.53604825 0.49332669
0.86166475 0.71316135 0.46723615
0.13111603 0.70543897 0.98964207
0.72295416 0.60787336 0.45749086
No title
1
13.955458 0.770673 -0.876991
0.738940 10.525997 0.314593
-0.901511 0.483101 13.754259
C H O N
43 30 7 2
Direct configuration= 339
0.74882391 0.52974309 0.38170236
0.76908849 0.39672950 0.39946272
0.81465376 0.32505413 0.33247377
0.76822574 0.59009049 0.29470355
0.81417893 0.51861206 0.22823176
0.84091249 0.38740220 0.24967743
-0.00409543 0.32440104 0.20614972
0.05582322 0.24198896 0.15733289
0.15616285 0.24194902 0.17294334
0.03701675 0.40807777 0.26894872
0.13741256 0.40817108 0.28191099
0.19993075 0.32504374 0.23539626
0.31050894 0.32880950 0.25172919
0.33710556 0.42525413 0.17422949
0.39581889 0.51969985 0.19928075
0.42521891 0.60076100 0.12819019
0.30672085 0.41712979 0.07391610
0.33608981 0.49623496 0.00165285
0.39750728 0.58666509 0.02905046
0.51157632 0.71293402 -0.02529886
0.50950284 0.84552284 -0.02586512
0.59702738 0.89661859 -0.00784243
0.59938119 0.63103288 -0.00859394
0.68604320 0.68339228 0.00800484
0.68514735 0.81573677 0.00937174
0.34192955 0.36390997 0.35690099
0.36712334 0.19607440 0.24080222
0.13679636 0.83360573 0.95969610
0.03936822 0.66907876 -0.03616168
0.97935665 0.78660909 0.91240041
0.88314911 0.80393747 0.87025390
0.84597698 0.92617437 0.82575205
0.71950035 0.86552335 0.71733653
0.63115884 0.81824287 0.72477523
0.59779584 0.73202264 0.65919294
0.65458104 0.69547236 0.58712435
0.64219489 0.60324722 0.51007259
0.78604995 0.69246824 0.49694663
0.74137639 0.74610978 0.58002354
0.77607815 0.83132177 0.64375536
0.90248449 0.02674301 0.82458912
-0.00026310 0.00672482 0.86713049
0.03722644 0.88555852 0.91074142
0.83536556 0.22201193 0.34645375
0.75299345 0.35047119 0.46727621
0.75072137 0.69351725 0.28117043
0.83515069 0.56514280 0.16308881
0.20047697 0.17342529 0.13565545
0.02369616 0.17732894 0.10802205
-0.00760063 0.47327660 0.30848521
0.16658248 0.47497123 0.33149319
0.47049557 0.67360046 0.15021890
0.41968714 0.53283250 0.27579115
0.25874377 0.34752828 0.05084736
0.31329814 0.48671034 0.92416963
0.59600277 0.00005932 -0.00660039
0.43944522 0.90614212 -0.03861070
0.59859866 0.52782308 0.99221590
0.75466903 0.62001451 0.01976869
0.42132937 0.35511567 0.37379771
0.31608941 0.29839454 0.40968835
0.31318960 0.46200261 0.37001130
0.44555047 0.20108561 0.25497267
0.35136573 0.16363190 0.16699777
0.34917480 0.12399832 0.29422137
0.83851725 0.72635150 0.87120668
0.59038416 0.84819596 0.78360594
0.53013949 0.69291013 0.66558906
0.84415219 0.86946417 0.63703729
0.86953397 0.11888531 0.78805381
0.04493548 0.08345386 0.86474637
0.19012333 0.64367495 0.02196007
0.75329280 0.85556839 0.02360083
0.89660351 0.31730810 0.18973346
0.42449988 0.66282242 0.95448965
0.20916602 0.88768434 0.97305208
0.01497314 0.56357212 -0.01938149
0.74951945 0.95120521 0.78360909
0.57779167 0.53623307 0.49312066
0.86167486 0.71336537 0.46734341
0.13121422 0.70554811 0.98979065
0.72283319 0.60771542 0.45747377
No title
1
13.953362 0.768877 -0.880370
0.737604 10.523141 0.315350
-0.905018 0.484404 13.751447
C H O N
43 30 7 2
Direct configuration= 340
0.74878721 0.52962417 0.38174962
0.76910435 0.39663883 0.39946924
0.81457690 0.32496259 0.33251545
0.76832346 0.59000378 0.29472488
0.81426020 0.51844540 0.22820542
0.84081994 0.38725227 0.24974142
-0.00407661 0.32421678 0.20618072
0.05581191 0.24175291 0.15738960
0.15612286 0.24176153 0.17295422
0.03708222 0.40787307 0.26898806
0.13746878 0.40802157 0.28191831
0.19991886 0.32490864 0.23535548
0.31058347 0.32868767 0.25171822
0.33712186 0.42523092 0.17427909
0.39598467 0.51959072 0.19933994
0.42536273 0.60068390 0.12817475
0.30662190 0.41718442 0.07394962
0.33595139 0.49629046 0.00164577
0.39748437 0.58669050 0.02904290
0.51148528 0.71302173 -0.02536871
0.50936971 0.84569465 -0.02594476
0.59693114 0.89685000 -0.00794043
0.59935089 0.63120723 -0.00863425
0.68599883 0.68359712 0.00790502
0.68506536 0.81592998 0.00923839
0.34202062 0.36370811 0.35694944
0.36718750 0.19592545 0.24077776
0.13689848 0.83382809 0.95980520
0.03948259 0.66899362 -0.03627321
0.97946346 0.78667928 0.91230785
0.88320684 0.80402139 0.87015937
0.84596276 0.92637498 0.82575757
0.71948271 0.86564325 0.71732911
0.63114632 0.81830672 0.72473226
0.59767367 0.73208833 0.65913267
0.65453392 0.69549538 0.58705529
0.64217145 0.60323853 0.51003318
0.78600822 0.69244226 0.49697226
0.74136517 0.74608536 0.57999307
0.77608724 0.83135667 0.64385443
0.90246257 0.02696567 0.82474295
-0.00027814 0.00691183 0.86736755
0.03730576 0.88566797 0.91081597
0.83527236 0.22188401 0.34645260
0.75293917 0.35033083 0.46728422
0.75085481 0.69343955 0.28114437
0.83521513 0.56502565 0.16311177
0.20041618 0.17323781 0.13564163
0.02363260 0.17712093 0.10803319
-0.00752422 0.47316731 0.30855022
0.16667300 0.47490048 0.33151781
0.47068020 0.67340879 0.15023925
0.41993994 0.53264135 0.27582049
0.25851483 0.34761994 0.05085400
0.31303346 0.48678055 0.92410175
0.59588417 0.00029193 -0.00672493
0.43926489 0.90621727 -0.03867684
0.59851839 0.52790322 0.99213933
0.75466938 0.62029652 0.01968488
0.42147577 0.35493019 0.37387655
0.31616942 0.29806831 0.40971356
0.31326097 0.46177800 0.37007480
0.44561580 0.20101764 0.25493905
0.35135854 0.16355822 0.16693229
0.34921769 0.12383249 0.29421209
0.83849147 0.72646010 0.87101199
0.59035862 0.84833461 0.78354838
0.53005185 0.69299107 0.66547843
0.84412552 0.86951547 0.63710561
0.86949549 0.11916371 0.78824650
0.04486215 0.08380834 0.86510886
0.19029902 0.64377648 0.02199438
0.75323431 0.85580853 0.02343370
0.89659770 0.31707251 0.18981220
0.42441912 0.66287129 0.95440367
0.20923399 0.88778881 0.97331208
0.01516174 0.56355502 -0.01960566
0.74953757 0.95142756 0.78362826
0.57768694 0.53633196 0.49301036
0.86168032 0.71347452 0.46740079
0.13126680 0.70560650 0.98987016
0.72276845 0.60763090 0.45746460
No title
1
13.950695 0.766658 -0.887458
0.735909 10.518990 0.316150
-0.912382 0.486102 13.745388
C H O N
43 30 7 2
Direct configuration= 341
0.74882321 0.52947992 0.38187131
0.76906524 0.39639970 0.39952766
0.81448111 0.32470442 0.33266812
0.76845329 0.58981336 0.29471170
0.81442516 0.51822208 0.22824929
0.84064560 0.38692793 0.24978021
-0.00401410 0.32394498 0.20626370
0.05574779 0.24129957 0.15749481
0.15610117 0.24138806 0.17299869
0.03724395 0.40754135 0.26911465
0.13763464 0.40773883 0.28197117
0.19991590 0.32469619 0.23533973
0.31061479 0.32845443 0.25169968
0.33721515 0.42509320 0.17443005
0.39625216 0.51947958 0.19940603
0.42568936 0.60044774 0.12815722
0.30639711 0.41728854 0.07398453
0.33572447 0.49627908 0.00165526
0.39735677 0.58679593 0.02894422
0.51135462 0.71325131 -0.02549861
0.50906721 0.84602032 -0.02609276
0.59670785 0.89729203 -0.00812173
0.59916929 0.63149419 -0.00873408
0.68594592 0.68394107 0.00770241
0.68493203 0.81644085 0.00900037
0.34222199 0.36329342 0.35707519
0.36725545 0.19568851 0.24073735
0.13695274 0.83425646 0.96007440
0.03971315 0.66912763 -0.03650512
0.97959753 0.78684705 0.91209722
0.88334805 0.80418417 0.86994825
0.84592598 0.92668636 0.82579304
0.71940327 0.86588017 0.71737080
0.63107892 0.81848731 0.72462940
0.59752100 0.73217676 0.65896286
0.65449433 0.69552289 0.58696517
0.64206512 0.60336491 0.50997721
0.78601384 0.69237745 0.49695847
0.74133248 0.74617232 0.57998552
0.77610509 0.83134627 0.64393172
0.90243430 0.02731851 0.82503457
-0.00024661 0.00724414 0.86786051
0.03750983 0.88591799 0.91092541
0.83507075 0.22164533 0.34647047
0.75283552 0.35007711 0.46726094
0.75111948 0.69332106 0.28108636
0.83534810 0.56479225 0.16312462
0.20031167 0.17287868 0.13560573
0.02347319 0.17665692 0.10804825
-0.00735711 0.47287964 0.30862835
0.16682104 0.47470806 0.33148955
0.47107769 0.67310088 0.15028323
0.42045688 0.53223594 0.27594500
0.25809209 0.34777723 0.05088216
0.31255860 0.48694146 0.92398407
0.59566853 0.00070081 -0.00697204
0.43896442 0.90633827 -0.03879416
0.59839416 0.52809898 0.99196814
0.75467965 0.62080866 0.01950811
0.42175017 0.35458133 0.37397737
0.31631859 0.29745881 0.40974376
0.31341184 0.46132624 0.37019141
0.44572367 0.20088147 0.25484633
0.35138703 0.16341267 0.16684872
0.34929209 0.12352642 0.29415022
0.83844679 0.72669452 0.87062895
0.59029850 0.84857987 0.78345093
0.52985323 0.69314723 0.66528621
0.84404833 0.86957220 0.63724555
0.86942401 0.11975327 0.78863425
0.04475868 0.08449830 0.86582530
0.19054702 0.64398626 0.02204324
0.75312382 0.85631139 0.02312000
0.89655058 0.31656040 0.18995178
0.42425950 0.66294251 0.95427207
0.20948264 0.88811333 0.97380230
0.01545913 0.56319311 -0.02000552
0.74952159 0.95179906 0.78361273
0.57745502 0.53642403 0.49276522
0.86163651 0.71367938 0.46754217
0.13148539 0.70572913 0.99000364
0.72262140 0.60746293 0.45745606
No title
1
13.948733 0.765025 -0.892672
0.734661 10.515936 0.316738
-0.917801 0.487351 13.740931
C H O N
43 30 7 2
Direct configuration= 342
0.74884975 0.52937375 0.38196090
0.76903646 0.39622370 0.39957065
0.81441067 0.32451438 0.33278047
0.76854880 0.58967324 0.29470206
0.81454655 0.51805774 0.22828165
0.84051730 0.38668920 0.24980871
-0.00396808 0.32374494 0.20632481
0.05570062 0.24096590 0.15757226
0.15608521 0.24111319 0.17303143
0.03736299 0.40729722 0.26920790
0.13775670 0.40753076 0.28201015
0.19991370 0.32453983 0.23532815
0.31063782 0.32828277 0.25168606
0.33728384 0.42499184 0.17454120
0.39644902 0.51939781 0.19945477
0.42592968 0.60027397 0.12814446
0.30623172 0.41736513 0.07401013
0.33555749 0.49627068 0.00166216
0.39726284 0.58687352 0.02887154
0.51125843 0.71342027 -0.02559428
0.50884458 0.84625998 -0.02620182
0.59654350 0.89761734 -0.00825528
0.59903564 0.63170537 -0.00880764
0.68590692 0.68419424 0.00755324
0.68483386 0.81681686 0.00882511
0.34237019 0.36298822 0.35716783
0.36730542 0.19551414 0.24070765
0.13699281 0.83457169 0.96027255
0.03988272 0.66922632 -0.03667572
0.97969611 0.78697057 0.91194223
0.88345188 0.80430401 0.86979291
0.84589896 0.92691552 0.82581913
0.71934484 0.86605452 0.71740143
0.63102930 0.81862022 0.72455367
0.59740861 0.73224186 0.65883782
0.65446516 0.69554315 0.58689882
0.64198686 0.60345791 0.50993597
0.78601797 0.69232975 0.49694832
0.74130843 0.74623632 0.57997995
0.77611826 0.83133861 0.64398861
0.90241365 0.02757813 0.82524919
-0.00022317 0.00748862 0.86822334
0.03766005 0.88610201 0.91100603
0.83492239 0.22146964 0.34648356
0.75275923 0.34989038 0.46724377
0.75131421 0.69323390 0.28104378
0.83544593 0.56462050 0.16313413
0.20023473 0.17261436 0.13557927
0.02335586 0.17631540 0.10805929
-0.00723414 0.47266794 0.30868593
0.16692994 0.47456648 0.33146882
0.47137017 0.67287432 0.15031577
0.42083728 0.53193762 0.27603686
0.25778105 0.34789293 0.05090272
0.31220914 0.48705984 0.92389726
0.59550979 0.00100174 -0.00715403
0.43874327 0.90642730 -0.03888062
0.59830268 0.52824307 0.99184209
0.75468717 0.62118561 0.01937797
0.42195209 0.35432460 0.37405170
0.31642833 0.29701024 0.40976607
0.31352287 0.46099376 0.37027732
0.44580301 0.20078128 0.25477814
0.35140795 0.16330556 0.16678724
0.34934680 0.12330118 0.29410472
0.83841376 0.72686710 0.87034699
0.59025424 0.84876038 0.78337916
0.52970701 0.69326217 0.66514464
0.84399160 0.86961391 0.63734853
0.86937162 0.12018708 0.78891959
0.04468289 0.08500596 0.86635255
0.19072954 0.64414067 0.02207930
0.75304242 0.85668151 0.02288905
0.89651593 0.31618348 0.19005452
0.42414199 0.66299492 0.95417514
0.20966582 0.88835211 0.97416320
0.01567777 0.56292686 -0.02029970
0.74950985 0.95207248 0.78360128
0.57728427 0.53649180 0.49258470
0.86160434 0.71383012 0.46764620
0.13164630 0.70581939 0.99010195
0.72251317 0.60733929 0.45744972
No title
1
13.946130 0.762491 -0.899909
0.732665 10.512121 0.316837
-0.925316 0.488201 13.734330
C H O N
43 30 7 2
Direct configuration= 343
0.74896204 0.52926947 0.38197557
0.76892756 0.39601963 0.39968020
0.81436268 0.32423319 0.33289186
0.76861792 0.58948137 0.29472090
0.81466755 0.51790296 0.22840508
0.84045324 0.38632698 0.24976894
-0.00396118 0.32348454 0.20641427
0.05561585 0.24054939 0.15764621
0.15607651 0.24074998 0.17307715
0.03750205 0.40705356 0.26935000
0.13791191 0.40729130 0.28208623
0.19999287 0.32432069 0.23535078
0.31062332 0.32806428 0.25171964
0.33739805 0.42486876 0.17462849
0.39665276 0.51926827 0.19948688
0.42621915 0.59999932 0.12812001
0.30599398 0.41738941 0.07407789
0.33536877 0.49626564 0.00159646
0.39711299 0.58694400 0.02876941
0.51108895 0.71372787 -0.02572014
0.50864749 0.84650782 -0.02631263
0.59627370 0.89796130 -0.00843247
0.59889577 0.63189590 -0.00891535
0.68579889 0.68457871 0.00735253
0.68469984 0.81730323 0.00860918
0.34257463 0.36254163 0.35729774
0.36733454 0.19534121 0.24067052
0.13715524 0.83489338 0.96063287
0.04004910 0.66910865 -0.03681767
0.97985134 0.78709200 0.91176984
0.88352790 0.80444096 0.86955997
0.84590698 0.92717371 0.82587225
0.71928478 0.86622478 0.71740985
0.63088661 0.81882300 0.72445048
0.59738353 0.73233275 0.65864683
0.65441215 0.69560016 0.58689458
0.64173012 0.60350237 0.50982431
0.78599386 0.69230334 0.49696183
0.74128284 0.74635674 0.57998966
0.77605692 0.83132110 0.64402800
0.90240471 0.02793213 0.82551983
-0.00016959 0.00794824 0.86864820
0.03781906 0.88635582 0.91109699
0.83472662 0.22119005 0.34653639
0.75265357 0.34964013 0.46723337
0.75156631 0.69313521 0.28098682
0.83558536 0.56439563 0.16311990
0.20015086 0.17228220 0.13554665
0.02318794 0.17585699 0.10809615
-0.00705853 0.47233780 0.30872903
0.16707296 0.47436473 0.33140785
0.47179158 0.67264563 0.15035847
0.42134980 0.53154460 0.27620383
0.25742076 0.34805915 0.05095294
0.31180338 0.48723063 0.92385158
0.59531089 0.00141125 -0.00738969
0.43844580 0.90657529 -0.03899292
0.59820372 0.52848878 0.99166747
0.75471360 0.62161625 0.01919851
0.42217291 0.35399892 0.37410828
0.31658435 0.29647314 0.40977614
0.31367476 0.46057428 0.37039477
0.44587618 0.20064366 0.25467802
0.35145931 0.16315500 0.16672352
0.34941815 0.12301577 0.29401778
0.83841148 0.72711009 0.86998931
0.59018970 0.84896431 0.78328125
0.52949899 0.69340361 0.66497397
0.84395793 0.86965923 0.63748072
0.86933017 0.12071907 0.78932601
0.04459038 0.08559864 0.86704629
0.19094067 0.64428889 0.02214078
0.75294971 0.85720536 0.02260271
0.89645224 0.31570588 0.19020771
0.42398595 0.66305274 0.95406419
0.20985473 0.88870773 0.97459445
0.01599284 0.56278894 -0.02072764
0.74942686 0.95236116 0.78353468
0.57711564 0.53660584 0.49237059
0.86156497 0.71398566 0.46775693
0.13181785 0.70610406 0.99013961
0.72246853 0.60727623 0.45746754
No title
1
13.943379 0.759813 -0.907557
0.730555 10.508090 0.316941
-0.933258 0.489100 13.727354
C H O N
43 30 7 2
Direct configuration= 344
0.74908072 0.52915925 0.38199114
0.76881248 0.39580386 0.39979597
0.81431199 0.32393590 0.33300961
0.76869097 0.58927854 0.29474087
0.81479551 0.51773934 0.22853567
0.84038547 0.38594404 0.24972686
-0.00395386 0.32320923 0.20650887
0.05552623 0.24010905 0.15772436
0.15606730 0.24036599 0.17312549
0.03764910 0.40679597 0.26950032
0.13807598 0.40703816 0.28216676
0.20007653 0.32408903 0.23537475
0.31060799 0.32783329 0.25175513
0.33751881 0.42473866 0.17472085
0.39686812 0.51913137 0.19952095
0.42652508 0.59970903 0.12809432
0.30574273 0.41741501 0.07414939
0.33516925 0.49626028 0.00152689
0.39695455 0.58701849 0.02866135
0.51090976 0.71405303 -0.02585331
0.50843912 0.84676981 -0.02642991
0.59598845 0.89832490 -0.00861998
0.59874788 0.63209731 -0.00902933
0.68568463 0.68498516 0.00714025
0.68455810 0.81781740 0.00838079
0.34279076 0.36206954 0.35743521
0.36736528 0.19515840 0.24063126
0.13732719 0.83523345 0.96101395
0.04022486 0.66898432 -0.03696767
0.98001532 0.78722044 0.91158766
0.88360813 0.80458579 0.86931372
0.84591553 0.92744666 0.82592841
0.71922132 0.86640476 0.71741871
0.63073575 0.81903737 0.72434129
0.59735692 0.73242886 0.65844487
0.65435613 0.69566042 0.58689006
0.64145868 0.60354932 0.50970609
0.78596839 0.69227542 0.49697610
0.74125581 0.74648404 0.57999991
0.77599211 0.83130258 0.64406962
0.90239548 0.02830631 0.82580598
-0.00011263 0.00843408 0.86909744
0.03798723 0.88662415 0.91119325
0.83451968 0.22089442 0.34659215
0.75254185 0.34937555 0.46722231
0.75183275 0.69303094 0.28092673
0.83573270 0.56415793 0.16310494
0.20006215 0.17193104 0.13551212
0.02301041 0.17537232 0.10813504
-0.00687292 0.47198881 0.30877470
0.16722407 0.47415150 0.33134346
0.47223701 0.67240396 0.15040386
0.42189159 0.53112920 0.27638066
0.25703998 0.34823479 0.05100583
0.31137449 0.48741111 0.92380306
0.59510057 0.00184417 -0.00763899
0.43813131 0.90673169 -0.03911183
0.59809904 0.52874855 0.99148277
0.75474149 0.62207155 0.01900878
0.42240631 0.35365465 0.37416822
0.31674921 0.29590535 0.40978688
0.31383533 0.46013083 0.37051904
0.44595345 0.20049820 0.25457221
0.35151353 0.16299586 0.16665618
0.34949349 0.12271406 0.29392590
0.83840887 0.72736702 0.86961111
0.59012144 0.84917989 0.78317768
0.52927902 0.69355312 0.66479340
0.84392242 0.86970712 0.63762048
0.86928668 0.12128140 0.78975571
0.04449310 0.08622509 0.86777976
0.19116389 0.64444561 0.02220591
0.75285160 0.85775918 0.02229990
0.89638495 0.31520093 0.19036966
0.42382096 0.66311384 0.95394679
0.21005472 0.88908365 0.97505053
0.01632560 0.56264328 -0.02117994
0.74933913 0.95266634 0.78346421
0.57693727 0.53672640 0.49214410
0.86152344 0.71415007 0.46787399
0.13199924 0.70640503 0.99017952
0.72242135 0.60720955 0.45748636
No title
1
13.939823 0.756905 -0.915573
0.728151 10.504792 0.316575
-0.941507 0.489474 13.720106
C H O N
43 30 7 2
Direct configuration= 345
0.74919375 0.52899840 0.38201313
0.76870721 0.39566807 0.39979554
0.81425342 0.32372896 0.33304483
0.76873071 0.58921396 0.29476834
0.81492708 0.51749630 0.22860810
0.84041300 0.38561223 0.24975034
-0.00400541 0.32285776 0.20660643
0.05543804 0.23973796 0.15778840
0.15601758 0.24000987 0.17317540
0.03777401 0.40650623 0.26957369
0.13818066 0.40675720 0.28220485
0.20018761 0.32378720 0.23541776
0.31067385 0.32761985 0.25185728
0.33757650 0.42461718 0.17471585
0.39709924 0.51891683 0.19962777
0.42678548 0.59949390 0.12806728
0.30556424 0.41745205 0.07419141
0.33496648 0.49626912 0.00147573
0.39684021 0.58698778 0.02860262
0.51071221 0.71422506 -0.02596316
0.50822532 0.84703449 -0.02653342
0.59578584 0.89868963 -0.00879000
0.59866736 0.63241030 -0.00917168
0.68553884 0.68540434 0.00694324
0.68435930 0.81825754 0.00815532
0.34297412 0.36162079 0.35755026
0.36738240 0.19503343 0.24059568
0.13759148 0.83546965 0.96142202
0.04042599 0.66903579 -0.03712645
0.98019369 0.78726040 0.91145326
0.88368216 0.80473540 0.86907310
0.84593976 0.92774311 0.82595148
0.71910718 0.86647213 0.71735761
0.63059262 0.81929099 0.72420821
0.59724400 0.73253643 0.65835561
0.65431311 0.69569625 0.58683589
0.64129880 0.60369684 0.50957925
0.78584441 0.69234722 0.49708367
0.74117924 0.74646989 0.57994091
0.77591637 0.83144608 0.64415678
0.90241957 0.02876328 0.82608306
-0.00011224 0.00898234 0.86945370
0.03807517 0.88691570 0.91131243
0.83432523 0.22047720 0.34670737
0.75239649 0.34906746 0.46731736
0.75208940 0.69290362 0.28088144
0.83587038 0.56390045 0.16312908
0.19999765 0.17159545 0.13548659
0.02282407 0.17489662 0.10821935
-0.00671929 0.47167316 0.30884426
0.16742832 0.47401132 0.33131690
0.47268491 0.67216472 0.15042022
0.42242003 0.53072076 0.27652973
0.25669111 0.34838898 0.05107969
0.31098836 0.48759150 0.92377684
0.59488212 0.00226894 -0.00788434
0.43783827 0.90691337 -0.03922339
0.59801267 0.52898945 0.99129299
0.75472422 0.62250007 0.01879545
0.42259250 0.35330791 0.37419282
0.31693979 0.29538055 0.40980690
0.31401573 0.45969054 0.37066267
0.44597841 0.20035165 0.25447084
0.35157251 0.16281914 0.16657223
0.34957419 0.12241118 0.29381641
0.83844167 0.72757550 0.86925140
0.59001577 0.84936403 0.78307738
0.52915381 0.69373486 0.66460218
0.84392793 0.86973708 0.63775536
0.86927917 0.12175749 0.79023634
0.04444012 0.08681844 0.86851412
0.19132012 0.64460209 0.02226438
0.75275350 0.85836618 0.02201385
0.89635495 0.31473123 0.19052381
0.42363981 0.66321394 0.95382209
0.21019415 0.88952106 0.97547893
0.01664335 0.56248257 -0.02162504
0.74924861 0.95289342 0.78338306
0.57662556 0.53669969 0.49189373
0.86152133 0.71424138 0.46793457
0.13218023 0.70664608 0.99021309
0.72249878 0.60724509 0.45749488
No title
1
13.936639 0.754302 -0.922751
0.725998 10.501840 0.316248
-0.948892 0.489808 13.713617
C H O N
43 30 7 2
Direct configuration= 346
0.74929496 0.52885436 0.38203288
0.76861292 0.39554644 0.39979510
0.81420096 0.32354360 0.33307633
0.76876630 0.58915614 0.29479297
0.81504492 0.51727866 0.22867306
0.84043763 0.38531506 0.24977138
-0.00405158 0.32254296 0.20669379
0.05535904 0.23940560 0.15784571
0.15597303 0.23969093 0.17322008
0.03788588 0.40624677 0.26963947
0.13827439 0.40650560 0.28223902
0.20028707 0.32351690 0.23545634
0.31073286 0.32742869 0.25194882
0.33762815 0.42450839 0.17471140
0.39730625 0.51872472 0.19972359
0.42701865 0.59930129 0.12804320
0.30540442 0.41748518 0.07422895
0.33478486 0.49627699 0.00142980
0.39673776 0.58696025 0.02854994
0.51053524 0.71437910 -0.02606166
0.50803383 0.84727150 -0.02662625
0.59560434 0.89901626 -0.00894241
0.59859522 0.63269060 -0.00929924
0.68540822 0.68577974 0.00676670
0.68418119 0.81865171 0.00795325
0.34313833 0.36121893 0.35765342
0.36739770 0.19492151 0.24056381
0.13782844 0.83568120 0.96178774
0.04060603 0.66908195 -0.03726859
0.98035335 0.78729624 0.91133295
0.88374833 0.80486943 0.86885759
0.84596151 0.92800861 0.82597216
0.71900493 0.86653244 0.71730281
0.63046440 0.81951812 0.72408892
0.59714284 0.73263276 0.65827559
0.65427457 0.69572834 0.58678734
0.64115556 0.60382894 0.50946554
0.78573345 0.69241149 0.49717997
0.74111063 0.74645720 0.57988801
0.77584861 0.83157458 0.64423483
0.90244137 0.02917251 0.82633130
-0.00011161 0.00947333 0.86977287
0.03815405 0.88717680 0.91141925
0.83415109 0.22010348 0.34681048
0.75226631 0.34879150 0.46740241
0.75231920 0.69278964 0.28084100
0.83599366 0.56366988 0.16315077
0.19993981 0.17129489 0.13546369
0.02265717 0.17447053 0.10829477
-0.00658170 0.47139048 0.30890665
0.16761120 0.47388583 0.33129321
0.47308601 0.67195054 0.15043510
0.42289332 0.53035507 0.27666354
0.25637874 0.34852698 0.05114567
0.31064257 0.48775298 0.92375315
0.59468639 0.00264935 -0.00810425
0.43757580 0.90707603 -0.03932348
0.59793525 0.52920519 0.99112295
0.75470870 0.62288386 0.01860434
0.42275921 0.35299740 0.37421495
0.31711040 0.29491057 0.40982493
0.31417732 0.45929625 0.37079142
0.44600068 0.20022042 0.25438004
0.35162526 0.16266088 0.16649706
0.34964635 0.12213995 0.29371837
0.83847087 0.72776226 0.86892919
0.58992110 0.84952894 0.78298748
0.52904160 0.69389761 0.66443082
0.84393295 0.86976389 0.63787620
0.86927279 0.12218382 0.79066692
0.04439318 0.08734975 0.86917197
0.19146010 0.64474225 0.02231685
0.75266557 0.85890980 0.02175755
0.89632812 0.31431054 0.19066187
0.42347753 0.66330357 0.95371029
0.21031933 0.88991279 0.97586279
0.01692764 0.56233875 -0.02202361
0.74916754 0.95309678 0.78331033
0.57634626 0.53667572 0.49166927
0.86151949 0.71432315 0.46798884
0.13234238 0.70686200 0.99024327
0.72256814 0.60727693 0.45750256
No title
1
13.932284 0.750870 -0.930382
0.723152 10.498637 0.315743
-0.956716 0.490016 13.706377
C H O N
43 30 7 2
Direct configuration= 347
0.74934953 0.52878341 0.38209366
0.76853979 0.39534244 0.39978112
0.81413001 0.32328013 0.33309106
0.76887487 0.58903067 0.29476014
0.81514458 0.51702616 0.22870249
0.84050895 0.38508308 0.24988535
-0.00408538 0.32211073 0.20678384
0.05525460 0.23908679 0.15790000
0.15592657 0.23934132 0.17326186
0.03793523 0.40591477 0.26963913
0.13839751 0.40621759 0.28225124
0.20034555 0.32317748 0.23551019
0.31087184 0.32722379 0.25201303
0.33764903 0.42440440 0.17475128
0.39758348 0.51848374 0.19981711
0.42722903 0.59913589 0.12809748
0.30527514 0.41753462 0.07417192
0.33456822 0.49630257 0.00144226
0.39670555 0.58687975 0.02851870
0.51035616 0.71449729 -0.02615295
0.50777904 0.84750333 -0.02672801
0.59543932 0.89942476 -0.00910802
0.59849109 0.63301492 -0.00947737
0.68534468 0.68616373 0.00659885
0.68404534 0.81908172 0.00775302
0.34328958 0.36086926 0.35774957
0.36741382 0.19478087 0.24051738
0.13795598 0.83590856 0.96207744
0.04082080 0.66923676 -0.03745640
0.98049734 0.78738928 0.91120463
0.88386700 0.80504415 0.86865345
0.84597764 0.92833680 0.82594465
0.71890167 0.86662886 0.71723329
0.63028520 0.81973220 0.72395175
0.59699827 0.73275763 0.65823451
0.65414644 0.69572871 0.58669754
0.64095195 0.60380035 0.50925874
0.78576831 0.69256706 0.49721744
0.74104320 0.74650466 0.57991850
0.77577092 0.83172242 0.64424234
0.90243879 0.02963050 0.82660054
-0.00011173 0.00989669 0.87010940
0.03821758 0.88747297 0.91159250
0.83394710 0.21970940 0.34695403
0.75211149 0.34851852 0.46749626
0.75254889 0.69271167 0.28080701
0.83612103 0.56339481 0.16321779
0.19987513 0.17098719 0.13545751
0.02247264 0.17401624 0.10842117
-0.00645422 0.47111867 0.30900486
0.16784943 0.47379100 0.33129321
0.47350850 0.67167048 0.15041334
0.42340383 0.52995540 0.27678857
0.25604935 0.34865379 0.05122745
0.31027055 0.48791878 0.92369041
0.59446177 0.00305495 -0.00834392
0.43731331 0.90727219 -0.03942567
0.59787018 0.52945718 0.99093236
0.75460631 0.62333860 0.01836505
0.42293064 0.35264047 0.37423139
0.31732148 0.29439674 0.40987842
0.31437747 0.45885491 0.37095879
0.44601078 0.20007855 0.25430116
0.35166930 0.16248664 0.16639157
0.34973415 0.12183842 0.29360373
0.83851369 0.72789432 0.86858108
0.58978734 0.84969991 0.78288447
0.52895884 0.69407796 0.66423208
0.84396149 0.86979007 0.63801517
0.86926252 0.12266122 0.79115756
0.04439754 0.08795839 0.86990089
0.19157841 0.64488646 0.02237786
0.75250503 0.85951517 0.02147292
0.89631911 0.31386864 0.19078856
0.42325448 0.66339368 0.95359462
0.21051480 0.89042716 0.97631552
0.01725316 0.56222945 -0.02245951
0.74912033 0.95327159 0.78325459
0.57614678 0.53676237 0.49144597
0.86140573 0.71434421 0.46809001
0.13257103 0.70694742 0.99033538
0.72260442 0.60727663 0.45750078
No title
1
13.927137 0.746813 -0.939402
0.719788 10.494852 0.315147
-0.965964 0.490262 13.697819
C H O N
43 30 7 2
Direct configuration= 348
0.74941409 0.52869953 0.38216559
0.76845326 0.39510122 0.39976452
0.81404606 0.32296857 0.33310842
0.76900320 0.58888236 0.29472139
0.81526238 0.51672763 0.22873736
0.84059333 0.38480880 0.25002019
-0.00412539 0.32159963 0.20689030
0.05513107 0.23870980 0.15796412
0.15587157 0.23892792 0.17331123
0.03799352 0.40552223 0.26963875
0.13854302 0.40587708 0.28226576
0.20041467 0.32277616 0.23557390
0.31103618 0.32698156 0.25208905
0.33767373 0.42428144 0.17479846
0.39791131 0.51819889 0.19992789
0.42747780 0.59894037 0.12816182
0.30512225 0.41759304 0.07410439
0.33431208 0.49633274 0.00145686
0.39666741 0.58678456 0.02848173
0.51014437 0.71463698 -0.02626103
0.50747775 0.84777738 -0.02684853
0.59524416 0.89990775 -0.00930399
0.59836790 0.63339838 -0.00968810
0.68526951 0.68661776 0.00640031
0.68388467 0.81959015 0.00751614
0.34346843 0.36045585 0.35786337
0.36743281 0.19461458 0.24046248
0.13810705 0.83617740 0.96242017
0.04107464 0.66941991 -0.03767838
0.98066753 0.78749936 0.91105295
0.88400722 0.80525080 0.86841210
0.84599677 0.92872486 0.82591215
0.71877953 0.86674285 0.71715099
0.63007326 0.81998528 0.72378941
0.59682732 0.73290523 0.65818583
0.65399488 0.69572911 0.58659125
0.64071104 0.60376650 0.50901402
0.78580960 0.69275102 0.49726179
0.74096351 0.74656074 0.57995452
0.77567910 0.83189720 0.64425117
0.90243603 0.03017201 0.82691900
-0.00011152 0.01039723 0.87050745
0.03829291 0.88782315 0.91179747
0.83370590 0.21924335 0.34712365
0.75192842 0.34819568 0.46760714
0.75282045 0.69261956 0.28076695
0.83627163 0.56306961 0.16329713
0.19979857 0.17062334 0.13545014
0.02225442 0.17347902 0.10857053
-0.00630348 0.47079731 0.30912108
0.16813110 0.47367896 0.33129336
0.47400799 0.67133948 0.15038788
0.42400749 0.52948299 0.27693676
0.25565996 0.34880360 0.05132395
0.30983065 0.48811471 0.92361597
0.59419608 0.00353449 -0.00862753
0.43700290 0.90750404 -0.03954669
0.59779316 0.52975514 0.99070692
0.75448518 0.62387627 0.01808198
0.42313329 0.35221849 0.37425094
0.31757098 0.29378925 0.40994179
0.31461416 0.45833312 0.37115685
0.44602262 0.19991082 0.25420787
0.35172126 0.16228063 0.16626683
0.34983782 0.12148194 0.29346820
0.83856412 0.72805053 0.86816941
0.58962913 0.84990203 0.78276254
0.52886088 0.69429121 0.66399697
0.84399533 0.86982102 0.63817957
0.86925083 0.12322565 0.79173788
0.04440335 0.08867797 0.87076304
0.19171839 0.64505702 0.02245010
0.75231513 0.86023093 0.02113620
0.89630846 0.31334612 0.19093836
0.42299066 0.66350016 0.95345768
0.21074637 0.89103536 0.97685113
0.01763773 0.56210037 -0.02297485
0.74906450 0.95347827 0.78318864
0.57591077 0.53686479 0.49118173
0.86127130 0.71436908 0.46820958
0.13284150 0.70704850 0.99044448
0.72264733 0.60727629 0.45749870
No title
1
13.923239 0.743003 -0.946489
0.716699 10.491760 0.314836
-0.973275 0.490699 13.691090
C H O N
43 30 7 2
Direct configuration= 349
0.74943987 0.52865688 0.38220614
0.76838410 0.39486405 0.39981353
0.81396398 0.32262211 0.33315782
0.76916426 0.58868756 0.29468089
0.81533063 0.51649849 0.22875601
0.84069459 0.38459083 0.25016790
-0.00414544 0.32113887 0.20697157
0.05504884 0.23836452 0.15799146
0.15582364 0.23857342 0.17333695
0.03801895 0.40522537 0.26964620
0.13866135 0.40564333 0.28229300
0.20045540 0.32243996 0.23563098
0.31115552 0.32677647 0.25207914
0.33770120 0.42421713 0.17487416
0.39820414 0.51793151 0.19999669
0.42764652 0.59879864 0.12824252
0.30499276 0.41757439 0.07406961
0.33410340 0.49641715 0.00142419
0.39670316 0.58670160 0.02849952
0.50996328 0.71482845 -0.02635522
0.50726324 0.84796749 -0.02693581
0.59504443 0.90026184 -0.00947931
0.59825915 0.63365701 -0.00988234
0.68521691 0.68701554 0.00624006
0.68380392 0.82002791 0.00733965
0.34362143 0.36013819 0.35796080
0.36745979 0.19441929 0.24038964
0.13827496 0.83654148 0.96264061
0.04128150 0.66946270 -0.03786594
0.98079008 0.78769098 0.91093562
0.88411147 0.80543610 0.86822867
0.84601625 0.92903337 0.82585996
0.71869458 0.86691559 0.71709744
0.62989061 0.82018569 0.72369209
0.59672682 0.73300253 0.65806686
0.65379856 0.69573929 0.58650413
0.64063767 0.60375846 0.50882251
0.78571983 0.69285374 0.49732965
0.74088144 0.74663909 0.58002420
0.77561565 0.83203423 0.64421023
0.90239196 0.03056374 0.82718140
-0.00004963 0.01074624 0.87086204
0.03837218 0.88808934 0.91202085
0.83348955 0.21893011 0.34726748
0.75178272 0.34799352 0.46763141
0.75302793 0.69257162 0.28073641
0.83639931 0.56279667 0.16336914
0.19972548 0.17033692 0.13545940
0.02207307 0.17304481 0.10872096
-0.00617904 0.47053100 0.30921813
0.16836890 0.47357271 0.33128198
0.47440891 0.67103463 0.15034793
0.42450297 0.52909357 0.27705345
0.25534787 0.34891147 0.05139448
0.30947053 0.48826748 0.92353414
0.59397183 0.00395323 -0.00885952
0.43675053 0.90771493 -0.03964233
0.59774626 0.53003062 0.99051639
0.75436124 0.62431674 0.01783385
0.42330913 0.35185891 0.37427871
0.31779888 0.29329151 0.41001958
0.31481590 0.45793964 0.37134859
0.44605533 0.19977243 0.25415930
0.35174157 0.16212334 0.16614282
0.34992800 0.12118336 0.29335983
0.83862750 0.72814312 0.86782895
0.58947645 0.85007150 0.78265538
0.52873512 0.69442836 0.66380646
0.84403377 0.86985225 0.63832052
0.86921356 0.12376868 0.79220702
0.04442853 0.08925071 0.87147842
0.19189816 0.64509921 0.02256034
0.75212190 0.86082783 0.02085763
0.89626970 0.31294493 0.19104499
0.42274227 0.66354463 0.95337134
0.21082690 0.89146463 0.97729509
0.01797674 0.56214394 -0.02341790
0.74905642 0.95363903 0.78316586
0.57569245 0.53691478 0.49092823
0.86131921 0.71443388 0.46826359
0.13300868 0.70719409 0.99051522
0.72258913 0.60720071 0.45747777
No title
1
13.916080 0.736006 -0.959502
0.711028 10.486084 0.314264
-0.986700 0.491501 13.678736
C H O N
43 30 7 2
Direct configuration= 350
0.74948726 0.52857856 0.38228065
0.76825703 0.39442840 0.39990348
0.81381314 0.32198573 0.33324848
0.76945997 0.58832988 0.29460664
0.81545592 0.51607768 0.22879031
0.84088066 0.38419051 0.25043934
-0.00418236 0.32029258 0.20712081
0.05489769 0.23773030 0.15804160
0.15573549 0.23792230 0.17338415
0.03806557 0.40468015 0.26965989
0.13887863 0.40521406 0.28234316
0.20053014 0.32182249 0.23573586
0.31137463 0.32639985 0.25206103
0.33775171 0.42409900 0.17501326
0.39874196 0.51744056 0.20012334
0.42795643 0.59853840 0.12839094
0.30475487 0.41754008 0.07400559
0.33372011 0.49657208 0.00136397
0.39676880 0.58654925 0.02853223
0.50963066 0.71518003 -0.02652842
0.50686923 0.84831656 -0.02709634
0.59467754 0.90091212 -0.00980157
0.59805931 0.63413200 -0.01023928
0.68512028 0.68774615 0.00594562
0.68365558 0.82083194 0.00701535
0.34390244 0.35955482 0.35813993
0.36750918 0.19406064 0.24025585
0.13858373 0.83721025 0.96304576
0.04166124 0.66954146 -0.03821029
0.98101512 0.78804301 0.91072020
0.88430284 0.80577654 0.86789179
0.84605210 0.92960004 0.82576412
0.71853856 0.86723282 0.71699899
0.62955511 0.82055371 0.72351313
0.59654215 0.73318119 0.65784820
0.65343789 0.69575790 0.58634390
0.64050271 0.60374368 0.50847061
0.78555507 0.69304234 0.49745424
0.74073081 0.74678292 0.58015215
0.77549911 0.83228588 0.64413496
0.90231144 0.03128315 0.82766345
0.00006454 0.01138724 0.87151353
0.03851813 0.88857826 0.91243133
0.83309220 0.21835462 0.34753150
0.75151504 0.34762213 0.46767584
0.75340896 0.69248371 0.28068049
0.83663378 0.56229544 0.16350153
0.19959113 0.16981082 0.13547633
0.02173996 0.17224718 0.10899712
-0.00595047 0.47004193 0.30939654
0.16880561 0.47337770 0.33126129
0.47514514 0.67047495 0.15027490
0.42541301 0.52837861 0.27726829
0.25477476 0.34910939 0.05152376
0.30880907 0.48854787 0.92338348
0.59355987 0.00472223 -0.00928593
0.43628698 0.90810214 -0.03981826
0.59766001 0.53053661 0.99016633
0.75413351 0.62512573 0.01737791
0.42363199 0.35119858 0.37432988
0.31821736 0.29237745 0.41016267
0.31518649 0.45721703 0.37170103
0.44611528 0.19951827 0.25407010
0.35177870 0.16183447 0.16591500
0.35009341 0.12063505 0.29316082
0.83874358 0.72831328 0.86720354
0.58919596 0.85038268 0.78245837
0.52850401 0.69468021 0.66345634
0.84410454 0.86990960 0.63857949
0.86914580 0.12476593 0.79306889
0.04447575 0.09030250 0.87279274
0.19222848 0.64517679 0.02276304
0.75176695 0.86192409 0.02034570
0.89619846 0.31220802 0.19124083
0.42228599 0.66362618 0.95321249
0.21097546 0.89225302 0.97811081
0.01859896 0.56222425 -0.02423150
0.74904162 0.95393429 0.78312400
0.57529123 0.53700652 0.49046231
0.86140728 0.71455290 0.46836286
0.13331588 0.70746158 0.99064536
0.72248218 0.60706186 0.45743927
No title
1
13.911387 0.730982 -0.967906
0.707006 10.482668 0.314437
-0.995437 0.492784 13.670543
C H O N
43 30 7 2
Direct configuration= 351
0.74953230 0.52829994 0.38224176
0.76816534 0.39422761 0.39997795
0.81366181 0.32160356 0.33339961
0.76965363 0.58817699 0.29465085
0.81556010 0.51572578 0.22882003
0.84101105 0.38377114 0.25064950
-0.00419713 0.31972872 0.20723231
0.05482937 0.23718025 0.15806176
0.15566352 0.23745793 0.17341215
0.03817438 0.40435197 0.26974491
0.13897575 0.40497089 0.28239866
0.20059305 0.32142588 0.23580260
0.31142605 0.32610486 0.25200045
0.33780650 0.42401900 0.17506694
0.39913926 0.51705613 0.20025371
0.42817151 0.59835390 0.12845696
0.30458534 0.41747655 0.07407339
0.33346704 0.49671402 0.00126305
0.39681644 0.58643881 0.02859254
0.50938304 0.71545148 -0.02668199
0.50661414 0.84861872 -0.02720879
0.59440940 0.90129671 -0.01003651
0.59792919 0.63451419 -0.01050104
0.68493599 0.68833816 0.00569680
0.68345947 0.82143526 0.00677504
0.34414226 0.35906921 0.35827635
0.36758060 0.19373186 0.24011788
0.13870289 0.83765626 0.96328645
0.04198483 0.66981330 -0.03851923
0.98115800 0.78833773 0.91061178
0.88438146 0.80602566 0.86764479
0.84609954 0.92990106 0.82570969
0.71840926 0.86755468 0.71694638
0.62942163 0.82082761 0.72341300
0.59637513 0.73325578 0.65758539
0.65325419 0.69582923 0.58618602
0.64042059 0.60371830 0.50828589
0.78552592 0.69312111 0.49748220
0.74053458 0.74679387 0.58014681
0.77544259 0.83254124 0.64414639
0.90229239 0.03177474 0.82802527
0.00018178 0.01187737 0.87201435
0.03868630 0.88898699 0.91275479
0.83280007 0.21796577 0.34771863
0.75131899 0.34741875 0.46764212
0.75368399 0.69233835 0.28064347
0.83681936 0.56195497 0.16355556
0.19948761 0.16941942 0.13549437
0.02148425 0.17164262 0.10918950
-0.00577754 0.46966075 0.30950268
0.16910433 0.47318717 0.33120953
0.47567526 0.67005930 0.15023142
0.42606708 0.52785797 0.27741540
0.25435600 0.34920830 0.05157902
0.30833586 0.48875072 0.92325106
0.59325201 0.00528170 -0.00959155
0.43597754 0.90837696 -0.03993281
0.59761542 0.53087881 0.98990406
0.75402174 0.62564761 0.01704795
0.42389758 0.35071753 0.37440457
0.31855166 0.29173950 0.41028550
0.31545080 0.45679349 0.37199724
0.44621792 0.19932708 0.25404953
0.35176406 0.16164320 0.16570411
0.35021086 0.12022492 0.29303494
0.83888223 0.72842856 0.86674809
0.58895176 0.85062311 0.78231875
0.52824405 0.69478894 0.66321213
0.84416472 0.86996593 0.63876086
0.86905597 0.12558130 0.79367796
0.04450097 0.09096053 0.87373879
0.19252280 0.64515110 0.02295316
0.75155729 0.86276720 0.01999465
0.89607029 0.31173352 0.19137435
0.42199780 0.66366547 0.95315828
0.21109096 0.89283895 0.97872449
0.01897778 0.56211418 -0.02480347
0.74903853 0.95419278 0.78312323
0.57502476 0.53705200 0.49006820
0.86141185 0.71464901 0.46848992
0.13354292 0.70780324 0.99071932
0.72233625 0.60695691 0.45740526
No title
1
13.903645 0.722694 -0.981771
0.700370 10.477033 0.314723
-1.009854 0.494899 13.657025
C H O N
43 30 7 2
Direct configuration= 352
0.74960648 0.52784015 0.38217760
0.76801400 0.39389614 0.40010079
0.81341204 0.32097266 0.33364896
0.76997325 0.58792478 0.29472405
0.81573194 0.51514506 0.22886919
0.84122632 0.38307903 0.25099662
-0.00422164 0.31879808 0.20741636
0.05471638 0.23627239 0.15809498
0.15554454 0.23669148 0.17345830
0.03835392 0.40381040 0.26988539
0.13913600 0.40456961 0.28249040
0.20069679 0.32077134 0.23591286
0.31151071 0.32561805 0.25190047
0.33789696 0.42388698 0.17515562
0.39979496 0.51642190 0.20046935
0.42852647 0.59804953 0.12856619
0.30430556 0.41737157 0.07418514
0.33304930 0.49694813 0.00109617
0.39689508 0.58625656 0.02869217
0.50897430 0.71589937 -0.02693579
0.50619313 0.84911726 -0.02739470
0.59396673 0.90193134 -0.01042466
0.59771431 0.63514496 -0.01093333
0.68463182 0.68931517 0.00528580
0.68313578 0.82243093 0.00637810
0.34453802 0.35826789 0.35850184
0.36769817 0.19318933 0.23989017
0.13890004 0.83839237 0.96368394
0.04251869 0.67026228 -0.03902896
0.98139384 0.78882428 0.91043292
0.88451105 0.80643695 0.86723707
0.84617792 0.93039791 0.82561989
0.71819595 0.86808580 0.71685937
0.62920134 0.82127961 0.72324756
0.59609921 0.73337884 0.65715131
0.65295085 0.69594687 0.58592516
0.64028484 0.60367643 0.50798084
0.78547786 0.69325110 0.49752834
0.74021070 0.74681180 0.58013779
0.77534944 0.83296265 0.64416521
0.90226159 0.03258592 0.82862261
0.00037609 0.01268619 0.87284132
0.03896443 0.88966159 0.91328899
0.83231795 0.21732374 0.34802726
0.75099527 0.34708297 0.46758623
0.75413781 0.69209864 0.28058263
0.83712557 0.56139317 0.16364496
0.19931661 0.16877338 0.13552406
0.02106215 0.17064460 0.10950685
-0.00549216 0.46903173 0.30967810
0.16959722 0.47287293 0.33112439
0.47654999 0.66937371 0.15016017
0.42714654 0.52699911 0.27765895
0.25366493 0.34937124 0.05166984
0.30755477 0.48908521 0.92303196
0.59274381 0.00620496 -0.01009644
0.43546683 0.90883034 -0.04012226
0.59754169 0.53144365 0.98947101
0.75383713 0.62650896 0.01650309
0.42433581 0.34992377 0.37452815
0.31910328 0.29068682 0.41048863
0.31588719 0.45609456 0.37248654
0.44638721 0.19901161 0.25401568
0.35173957 0.16132760 0.16535593
0.35040440 0.11954816 0.29282723
0.83911061 0.72861905 0.86599628
0.58854866 0.85101978 0.78208798
0.52781476 0.69496828 0.66280867
0.84426429 0.87005887 0.63906035
0.86890877 0.12692673 0.79468342
0.04454395 0.09204626 0.87530072
0.19300878 0.64510885 0.02326736
0.75121124 0.86415866 0.01941484
0.89585869 0.31095027 0.19159466
0.42152210 0.66373014 0.95306848
0.21128255 0.89380585 0.97973778
0.01960233 0.56193296 -0.02574739
0.74903356 0.95461940 0.78312195
0.57458453 0.53712700 0.48941726
0.86141958 0.71480759 0.46869970
0.13391790 0.70836725 0.99084168
0.72209530 0.60678362 0.45734897
No title
1
13.899650 0.718181 -0.988741
0.696814 10.473471 0.314990
-1.017141 0.496125 13.649853
C H O N
43 30 7 2
Direct configuration= 353
0.74961297 0.52758928 0.38214744
0.76794544 0.39372709 0.40013383
0.81327843 0.32072187 0.33381032
0.77015234 0.58776410 0.29477648
0.81583996 0.51481503 0.22895554
0.84126935 0.38266614 0.25118599
-0.00420795 0.31836037 0.20752214
0.05462020 0.23578055 0.15816050
0.15551240 0.23630212 0.17350371
0.03846378 0.40348786 0.26997475
0.13924758 0.40432760 0.28252374
0.20070372 0.32047684 0.23594644
0.31152767 0.32532095 0.25188430
0.33796138 0.42375400 0.17520350
0.40014505 0.51610687 0.20059028
0.42875492 0.59784298 0.12864007
0.30415169 0.41739475 0.07418999
0.33282493 0.49698483 0.00108137
0.39685996 0.58615368 0.02869037
0.50876314 0.71610845 -0.02709062
0.50592041 0.84940692 -0.02751640
0.59373786 0.90236639 -0.01062948
0.59754947 0.63553039 -0.01117211
0.68447909 0.68981664 0.00504865
0.68292054 0.82299087 0.00615251
0.34475451 0.35783784 0.35861215
0.36778044 0.19289418 0.23976150
0.13902983 0.83878255 0.96394016
0.04275254 0.67034817 -0.03929804
0.98152327 0.78910464 0.91036522
0.88460171 0.80662154 0.86703579
0.84623338 0.93066443 0.82559374
0.71809713 0.86841457 0.71680217
0.62908638 0.82144739 0.72311037
0.59589163 0.73350629 0.65695849
0.65281717 0.69599794 0.58573603
0.64011358 0.60358249 0.50782844
0.78545221 0.69324284 0.49753484
0.74012726 0.74690954 0.58009783
0.77523831 0.83313774 0.64418170
0.90230513 0.03308213 0.82895212
0.00043000 0.01317793 0.87329903
0.03908970 0.89008522 0.91353846
0.83205268 0.21696710 0.34819928
0.75080118 0.34692174 0.46755880
0.75438356 0.69192425 0.28055365
0.83730381 0.56109290 0.16366135
0.19922689 0.16839555 0.13553650
0.02081547 0.17004587 0.10964396
-0.00534159 0.46868565 0.30976510
0.16985338 0.47268647 0.33106720
0.47702972 0.66900613 0.15014215
0.42773902 0.52652152 0.27780384
0.25329131 0.34943976 0.05170074
0.30713164 0.48927741 0.92289397
0.59245864 0.00663853 -0.01037091
0.43521426 0.90906447 -0.04021344
0.59751052 0.53173430 0.98922602
0.75373404 0.62698880 0.01620169
0.42460630 0.34949024 0.37462474
0.31942063 0.29011945 0.41061263
0.31614316 0.45571319 0.37276936
0.44651092 0.19882943 0.25401694
0.35170211 0.16115568 0.16512504
0.35050730 0.11916799 0.29272101
0.83926391 0.72871245 0.86558063
0.58832033 0.85123842 0.78194434
0.52754670 0.69502862 0.66258466
0.84433089 0.87012992 0.63921243
0.86882915 0.12762961 0.79525405
0.04456616 0.09258622 0.87614646
0.19320884 0.64517205 0.02340005
0.75104397 0.86493876 0.01910940
0.89575044 0.31052900 0.19171524
0.42133738 0.66380105 0.95305590
0.21138029 0.89434454 0.98029210
0.01995341 0.56199341 -0.02629327
0.74901770 0.95492118 0.78314068
0.57440639 0.53719617 0.48904974
0.86138270 0.71490329 0.46884885
0.13423010 0.70861680 0.99094690
0.72202452 0.60668013 0.45726600
No title
1
13.890484 0.707827 -1.004733
0.688656 10.465300 0.315604
-1.033860 0.498938 13.633399
C H O N
43 30 7 2
Direct configuration= 354
0.74962770 0.52701349 0.38207823
0.76778804 0.39333901 0.40020960
0.81297184 0.32014606 0.33418058
0.77056335 0.58739544 0.29489707
0.81608780 0.51405760 0.22915392
0.84136813 0.38171845 0.25162081
-0.00417663 0.31735571 0.20776501
0.05439927 0.23465158 0.15831081
0.15543849 0.23540841 0.17360792
0.03871585 0.40274764 0.27018004
0.13950358 0.40377222 0.28260041
0.20071952 0.31980091 0.23602354
0.31156640 0.32463906 0.25184719
0.33810922 0.42344880 0.17531349
0.40094854 0.51538409 0.20086833
0.42927922 0.59736908 0.12880996
0.30379856 0.41744782 0.07420093
0.33230997 0.49706889 0.00104711
0.39677929 0.58591753 0.02868622
0.50827839 0.71658820 -0.02744631
0.50529446 0.85007156 -0.02779614
0.59321252 0.90336482 -0.01109998
0.59717103 0.63641500 -0.01172050
0.68412850 0.69096756 0.00450404
0.68242653 0.82427594 0.00563436
0.34525131 0.35685091 0.35886567
0.36796893 0.19221691 0.23946621
0.13932826 0.83967810 0.96452853
0.04328896 0.67054561 -0.03991552
0.98182040 0.78974827 0.91020995
0.88480963 0.80704539 0.86657380
0.84636077 0.93127619 0.82553377
0.71787045 0.86916910 0.71667072
0.62882246 0.82183243 0.72279528
0.59541501 0.73379870 0.65651555
0.65251014 0.69611513 0.58530167
0.63972027 0.60336680 0.50747835
0.78539333 0.69322387 0.49754974
0.73993574 0.74713381 0.58000600
0.77498337 0.83353950 0.64421943
0.90240579 0.03422092 0.82970863
0.00055461 0.01430642 0.87434987
0.03937777 0.89105755 0.91411133
0.83144386 0.21614824 0.34859389
0.75035560 0.34655152 0.46749560
0.75494746 0.69152422 0.28048741
0.83771277 0.56040389 0.16369919
0.19902077 0.16752829 0.13556495
0.02024917 0.16867138 0.10995844
-0.00499609 0.46789141 0.30996503
0.17044114 0.47225876 0.33093624
0.47813055 0.66816290 0.15010136
0.42909877 0.52542582 0.27813720
0.25243385 0.34959668 0.05177124
0.30616041 0.48971824 0.92257667
0.59180403 0.00763351 -0.01100137
0.43463460 0.90960167 -0.04042309
0.59743881 0.53240148 0.98866354
0.75349729 0.62809015 0.01550962
0.42522700 0.34849541 0.37484681
0.32014886 0.28881746 0.41089771
0.31673082 0.45483798 0.37341897
0.44679477 0.19841142 0.25401998
0.35161573 0.16076115 0.16459491
0.35074314 0.11829555 0.29247728
0.83961527 0.72892714 0.86462658
0.58779622 0.85174010 0.78161429
0.52693121 0.69516698 0.66207007
0.84448399 0.87029297 0.63956165
0.86864755 0.12924255 0.79656396
0.04461853 0.09382520 0.87808810
0.19366822 0.64531723 0.02370491
0.75066008 0.86672923 0.01840795
0.89550194 0.30956197 0.19199195
0.42091343 0.66396366 0.95302682
0.21160565 0.89558078 0.98156478
0.02075848 0.56213270 -0.02754606
0.74898149 0.95561381 0.78318367
0.57399707 0.53735492 0.48820578
0.86129830 0.71512286 0.46919121
0.13494693 0.70918982 0.99118882
0.72186191 0.60644257 0.45707543
No title
1
13.886983 0.703278 -1.011513
0.685117 10.461048 0.315595
-1.040995 0.499766 13.625989
C H O N
43 30 7 2
Direct configuration= 355
0.74955894 0.52697677 0.38209819
0.76769357 0.39311220 0.40025939
0.81291458 0.31982230 0.33433853
0.77077075 0.58707686 0.29491280
0.81625683 0.51375189 0.22929660
0.84126112 0.38136404 0.25175102
-0.00417566 0.31699597 0.20787751
0.05424945 0.23414976 0.15846547
0.15538629 0.23501615 0.17366273
0.03881884 0.40233627 0.27026567
0.13966487 0.40346738 0.28260462
0.20069102 0.31955269 0.23599197
0.31163200 0.32429870 0.25193115
0.33820462 0.42320504 0.17538819
0.40127251 0.51508363 0.20097860
0.42957896 0.59705502 0.12886350
0.30356375 0.41749695 0.07413054
0.33206270 0.49698988 0.00101441
0.39664917 0.58585703 0.02865036
0.50805802 0.71685742 -0.02761558
0.50501763 0.85035091 -0.02795255
0.59290630 0.90392820 -0.01131868
0.59698096 0.63677492 -0.01195751
0.68402644 0.69143592 0.00423444
0.68227596 0.82490648 0.00539546
0.34548124 0.35646339 0.35897422
0.36805272 0.19193609 0.23934342
0.13959525 0.84003478 0.96494261
0.04357522 0.67074702 -0.04017273
0.98199890 0.79002454 0.91018083
0.88499959 0.80721477 0.86640522
0.84646290 0.93169285 0.82556729
0.71775594 0.86950438 0.71658760
0.62862539 0.82194778 0.72263960
0.59516402 0.73397970 0.65633128
0.65234326 0.69618804 0.58513846
0.63961979 0.60339119 0.50732530
0.78523060 0.69307404 0.49758418
0.73994927 0.74732143 0.57989204
0.77489347 0.83370012 0.64422573
0.90244919 0.03480018 0.83003535
0.00052676 0.01492404 0.87484671
0.03942114 0.89144812 0.91430467
0.83114786 0.21582137 0.34878329
0.75011589 0.34640013 0.46750519
0.75519888 0.69131461 0.28046383
0.83789773 0.56003673 0.16373328
0.19893625 0.16708940 0.13557719
0.01998214 0.16797625 0.11005846
-0.00485455 0.46754103 0.31005351
0.17069577 0.47206561 0.33088154
0.47863910 0.66779436 0.15012555
0.42973138 0.52490229 0.27832492
0.25208585 0.34969692 0.05178969
0.30573930 0.48994044 0.92247984
0.59149269 0.00804609 -0.01128651
0.43435713 0.90985877 -0.04050715
0.59740493 0.53272577 0.98838857
0.75334946 0.62866053 0.01518316
0.42553923 0.34804417 0.37498318
0.32050139 0.28822483 0.41104756
0.31705302 0.45434858 0.37371974
0.44694303 0.19820071 0.25403008
0.35155836 0.16058032 0.16431371
0.35085315 0.11788322 0.29235526
0.83979580 0.72897180 0.86417807
0.58759630 0.85194127 0.78137391
0.52664011 0.69520329 0.66182312
0.84449625 0.87036980 0.63970362
0.86859487 0.12985136 0.79722275
0.04465890 0.09437232 0.87896317
0.19383282 0.64552891 0.02379532
0.75045067 0.86753147 0.01809198
0.89547203 0.30909274 0.19215004
0.42078386 0.66407667 0.95302051
0.21170973 0.89620168 0.98213748
0.02108244 0.56215000 -0.02814443
0.74894193 0.95603262 0.78320969
0.57369816 0.53726136 0.48777001
0.86132613 0.71525448 0.46934183
0.13523127 0.70936664 0.99125930
0.72190277 0.60630869 0.45693824
No title
1
13.880874 0.695343 -1.023339
0.678944 10.453631 0.315580
-1.053442 0.501211 13.613062
C H O N
43 30 7 2
Direct configuration= 356
0.74943897 0.52691264 0.38213296
0.76752869 0.39271633 0.40034620
0.81281470 0.31925723 0.33461416
0.77113255 0.58652104 0.29494043
0.81655179 0.51321848 0.22954578
0.84107438 0.38074544 0.25197820
-0.00417400 0.31636817 0.20807388
0.05398796 0.23327389 0.15873528
0.15529509 0.23433156 0.17375836
0.03899848 0.40161843 0.27041523
0.13994618 0.40293550 0.28261210
0.20064116 0.31911951 0.23593683
0.31174641 0.32370475 0.25207776
0.33837104 0.42277968 0.17551864
0.40183779 0.51455949 0.20117135
0.43010191 0.59650714 0.12895722
0.30315399 0.41758254 0.07400747
0.33163117 0.49685184 0.00095711
0.39642206 0.58575136 0.02858765
0.50767343 0.71732713 -0.02791122
0.50453456 0.85083825 -0.02822581
0.59237198 0.90491121 -0.01170068
0.59664923 0.63740293 -0.01237136
0.68384828 0.69225325 0.00376380
0.68201325 0.82600681 0.00497837
0.34588241 0.35578724 0.35916390
0.36819869 0.19144612 0.23912917
0.14006168 0.84065732 0.96566561
0.04407455 0.67109877 -0.04062143
0.98231047 0.79050679 0.91013017
0.88533095 0.80751053 0.86611116
0.84664131 0.93242004 0.82562590
0.71755620 0.87008944 0.71644241
0.62828141 0.82214897 0.72236770
0.59472596 0.73429543 0.65600943
0.65205195 0.69631520 0.58485346
0.63944433 0.60343372 0.50705806
0.78494661 0.69281245 0.49764416
0.73997285 0.74764888 0.57969313
0.77473668 0.83398035 0.64423664
0.90252548 0.03581101 0.83060566
0.00047889 0.01600172 0.87571391
0.03949717 0.89212969 0.91464218
0.83063143 0.21525071 0.34911361
0.74969756 0.34613575 0.46752170
0.75563747 0.69094902 0.28042289
0.83822036 0.55939611 0.16379294
0.19878860 0.16632344 0.13559848
0.01951600 0.16676295 0.11023279
-0.00460764 0.46692964 0.31020805
0.17113995 0.47172872 0.33078628
0.47952634 0.66715156 0.15016823
0.43083521 0.52398907 0.27865313
0.25147868 0.34987161 0.05182160
0.30500451 0.49032794 0.92231046
0.59094934 0.00876595 -0.01178448
0.43387300 0.91030727 -0.04065411
0.59734566 0.53329174 0.98790858
0.75309142 0.62965589 0.01461322
0.42608399 0.34725689 0.37522147
0.32111642 0.28719085 0.41130943
0.31761532 0.45349468 0.37424499
0.44720163 0.19783311 0.25404783
0.35145790 0.16026480 0.16382284
0.35104481 0.11716376 0.29214236
0.84011036 0.72904997 0.86339539
0.58724732 0.85229225 0.78095417
0.52613193 0.69526651 0.66139181
0.84451783 0.87050384 0.63995143
0.86850385 0.13091362 0.79837261
0.04473041 0.09532692 0.88049060
0.19412020 0.64589840 0.02395328
0.75008529 0.86893139 0.01754030
0.89541980 0.30827382 0.19242594
0.42055781 0.66427380 0.95300939
0.21189216 0.89728514 0.98313720
0.02164714 0.56218057 -0.02918858
0.74887311 0.95676345 0.78325509
0.57317613 0.53709799 0.48700915
0.86137491 0.71548415 0.46960475
0.13572754 0.70967539 0.99138256
0.72197390 0.60607511 0.45669881
No title
1
13.882634 0.697629 -1.019931
0.680723 10.455768 0.315584
-1.049856 0.500795 13.616787
C H O N
43 30 7 2
Direct configuration= 357
0.74947355 0.52693116 0.38212296
0.76757624 0.39283051 0.40032121
0.81284348 0.31942020 0.33453469
0.77102831 0.58668123 0.29493237
0.81646676 0.51337224 0.22947383
0.84112822 0.38092386 0.25191272
-0.00417446 0.31654920 0.20801725
0.05406337 0.23352651 0.15865753
0.15532144 0.23452897 0.17373081
0.03894674 0.40182539 0.27037205
0.13986514 0.40308880 0.28260988
0.20065560 0.31924442 0.23595275
0.31171346 0.32387599 0.25203545
0.33832308 0.42290230 0.17548097
0.40167484 0.51471052 0.20111561
0.42995120 0.59666502 0.12893006
0.30327214 0.41755793 0.07404308
0.33175560 0.49689172 0.00097375
0.39648756 0.58578187 0.02860580
0.50778432 0.71719175 -0.02782585
0.50467384 0.85069781 -0.02814687
0.59252600 0.90462785 -0.01159036
0.59674490 0.63722189 -0.01225191
0.68389968 0.69201759 0.00389959
0.68208897 0.82568957 0.00509873
0.34576679 0.35598213 0.35910909
0.36815673 0.19158735 0.23919093
0.13992695 0.84047778 0.96545695
0.04393069 0.67099722 -0.04049214
0.98222061 0.79036768 0.91014470
0.88523548 0.80742517 0.86619589
0.84658978 0.93221033 0.82560895
0.71761375 0.86992078 0.71648433
0.62838062 0.82209101 0.72244621
0.59485230 0.73420446 0.65610237
0.65213599 0.69627857 0.58493574
0.63949498 0.60342147 0.50713518
0.78502849 0.69288794 0.49762694
0.73996607 0.74755445 0.57975049
0.77478184 0.83389958 0.64423353
0.90250321 0.03551958 0.83044114
0.00049232 0.01569106 0.87546379
0.03947508 0.89193318 0.91454481
0.83078027 0.21541538 0.34901847
0.74981818 0.34621207 0.46751705
0.75551109 0.69105434 0.28043458
0.83812741 0.55958077 0.16377566
0.19883125 0.16654432 0.13559238
0.01965047 0.16711289 0.11018263
-0.00467879 0.46710589 0.31016342
0.17101197 0.47182577 0.33081364
0.47927064 0.66733673 0.15015570
0.43051702 0.52425219 0.27855818
0.25165368 0.34982136 0.05181255
0.30521634 0.49021634 0.92235950
0.59110603 0.00855846 -0.01164071
0.43401255 0.91017804 -0.04061160
0.59736282 0.53312853 0.98804704
0.75316585 0.62936890 0.01477767
0.42592698 0.34748380 0.37515261
0.32093917 0.28748888 0.41123375
0.31745318 0.45374081 0.37409335
0.44712712 0.19793905 0.25404264
0.35148704 0.16035576 0.16396445
0.35098970 0.11737115 0.29220372
0.84001990 0.72902731 0.86362106
0.58734800 0.85219109 0.78107533
0.52627854 0.69524835 0.66151634
0.84451152 0.87046521 0.63987994
0.86852963 0.13060744 0.79804097
0.04470925 0.09505178 0.88005001
0.19403727 0.64579182 0.02390764
0.75019061 0.86852778 0.01769951
0.89543487 0.30850997 0.19234638
0.42062295 0.66421700 0.95301265
0.21183916 0.89697278 0.98284879
0.02148464 0.56217157 -0.02888755
0.74889285 0.95655274 0.78324201
0.57332685 0.53714514 0.48722874
0.86136074 0.71541793 0.46952890
0.13558441 0.70958628 0.99134688
0.72195349 0.60614243 0.45676785
No title
1
13.877385 0.691469 -1.027688
0.675926 10.449698 0.315205
-1.057981 0.501295 13.607702
C H O N
43 30 7 2
Direct configuration= 358
0.74940909 0.52682739 0.38211274
0.76739878 0.39264655 0.40039751
0.81281661 0.31899629 0.33471760
0.77121481 0.58636175 0.29495541
0.81676468 0.51300965 0.22958424
0.84094429 0.38051358 0.25193281
-0.00426072 0.31615660 0.20813745
0.05389453 0.23282557 0.15885438
0.15514516 0.23400027 0.17374874
0.03910491 0.40135330 0.27052216
0.14001370 0.40273768 0.28261452
0.20071602 0.31894041 0.23584853
0.31186535 0.32347417 0.25218118
0.33845646 0.42255966 0.17554649
0.40200691 0.51429586 0.20125881
0.43036681 0.59621250 0.12890982
0.30292359 0.41753160 0.07406489
0.33147893 0.49682835 0.00081668
0.39630869 0.58578276 0.02859704
0.50756943 0.71754084 -0.02799756
0.50438195 0.85110515 -0.02836723
0.59217109 0.90513992 -0.01184894
0.59660143 0.63764621 -0.01251262
0.68372031 0.69267525 0.00352864
0.68188130 0.82644370 0.00477371
0.34610555 0.35547490 0.35929799
0.36824647 0.19124746 0.23905888
0.14017534 0.84086537 0.96602586
0.04430548 0.67125768 -0.04075015
0.98249911 0.79062477 0.91014473
0.88547294 0.80771995 0.86598011
0.84673434 0.93277290 0.82573633
0.71740125 0.87027393 0.71639191
0.62814845 0.82230339 0.72226450
0.59451294 0.73435187 0.65580423
0.65198799 0.69647768 0.58480159
0.63918889 0.60328438 0.50681426
0.78509510 0.69275369 0.49756900
0.73982431 0.74769040 0.57956033
0.77478983 0.83415375 0.64423540
0.90249302 0.03622437 0.83083792
0.00045179 0.01640975 0.87613310
0.03956912 0.89239789 0.91477557
0.83041980 0.21502722 0.34926446
0.74948030 0.34602779 0.46760080
0.75582607 0.69070985 0.28041349
0.83834140 0.55904642 0.16388243
0.19871629 0.16598919 0.13562825
0.01935959 0.16628349 0.11032451
-0.00451226 0.46668123 0.31026257
0.17130199 0.47158966 0.33075676
0.47987140 0.66687463 0.15022712
0.43128093 0.52358439 0.27879306
0.25126122 0.34995920 0.05180125
0.30472288 0.49049458 0.92229294
0.59070003 0.00919268 -0.01198042
0.43363958 0.91050244 -0.04070308
0.59730055 0.53352371 0.98769101
0.75300258 0.63008913 0.01437972
0.42629930 0.34695358 0.37534540
0.32139412 0.28680044 0.41142234
0.31789345 0.45308824 0.37445856
0.44729002 0.19765547 0.25404410
0.35141920 0.16016372 0.16364119
0.35113252 0.11685850 0.29202366
0.84028117 0.72904623 0.86306451
0.58713424 0.85241029 0.78070458
0.52594751 0.69528715 0.66119921
0.84444583 0.87056923 0.64003300
0.86847327 0.13127650 0.79887681
0.04478955 0.09575085 0.88109433
0.19428643 0.64611185 0.02401308
0.74992788 0.86949551 0.01732913
0.89544184 0.30795054 0.19260676
0.42042186 0.66434642 0.95296412
0.21207103 0.89782770 0.98357421
0.02183868 0.56220429 -0.02965860
0.74884592 0.95709354 0.78324277
0.57313117 0.53713005 0.48673969
0.86122433 0.71550469 0.46978363
0.13578374 0.70986854 0.99132301
0.72196489 0.60606405 0.45673822
No title
1
13.874636 0.688243 -1.031749
0.673415 10.446520 0.315007
-1.062236 0.501557 13.602944
C H O N
43 30 7 2
Direct configuration= 359
0.74937530 0.52677300 0.38210736
0.76730581 0.39255011 0.40043743
0.81280252 0.31877416 0.33481343
0.77131247 0.58619441 0.29496754
0.81692073 0.51281975 0.22964218
0.84084787 0.38029856 0.25194327
-0.00430594 0.31595086 0.20820041
0.05380604 0.23245825 0.15895748
0.15505273 0.23372320 0.17375807
0.03918775 0.40110598 0.27060086
0.14009146 0.40255375 0.28261699
0.20074758 0.31878114 0.23579393
0.31194490 0.32326367 0.25225759
0.33852630 0.42238016 0.17558086
0.40218085 0.51407868 0.20133394
0.43058445 0.59597552 0.12889934
0.30274100 0.41751770 0.07407621
0.33133392 0.49679508 0.00073429
0.39621498 0.58578318 0.02859240
0.50745686 0.71772370 -0.02808760
0.50422904 0.85131852 -0.02848279
0.59198517 0.90540813 -0.01198454
0.59652625 0.63786852 -0.01264928
0.68362632 0.69301981 0.00333420
0.68177252 0.82683879 0.00460333
0.34628299 0.35520922 0.35939708
0.36829339 0.19106940 0.23898970
0.14030572 0.84106849 0.96632407
0.04450178 0.67139426 -0.04088524
0.98264505 0.79075956 0.91014484
0.88559732 0.80787448 0.86586711
0.84681021 0.93306770 0.82580314
0.71728996 0.87045891 0.71634342
0.62802680 0.82241462 0.72216920
0.59433508 0.73442903 0.65564789
0.65191045 0.69658198 0.58473125
0.63902841 0.60321249 0.50664598
0.78512996 0.69268337 0.49753865
0.73975000 0.74776160 0.57946063
0.77479406 0.83428692 0.64423639
0.90248794 0.03659362 0.83104587
0.00043090 0.01678626 0.87648385
0.03961854 0.89264140 0.91489654
0.83023098 0.21482373 0.34939326
0.74930330 0.34593113 0.46764459
0.75599102 0.69052944 0.28040252
0.83845344 0.55876650 0.16393844
0.19865598 0.16569829 0.13564699
0.01920711 0.16584882 0.11039875
-0.00442505 0.46645876 0.31031457
0.17145387 0.47146603 0.33072704
0.48018607 0.66663268 0.15026473
0.43168108 0.52323469 0.27891636
0.25105564 0.35003131 0.05179522
0.30446440 0.49064023 0.92225791
0.59048733 0.00952489 -0.01215855
0.43344422 0.91067231 -0.04075112
0.59726788 0.53373077 0.98750442
0.75291704 0.63046647 0.01417115
0.42649433 0.34667586 0.37544653
0.32163241 0.28643984 0.41152129
0.31812411 0.45274641 0.37465007
0.44737530 0.19750693 0.25404491
0.35138352 0.16006309 0.16347177
0.35120719 0.11658995 0.29192934
0.84041786 0.72905624 0.86277294
0.58702217 0.85252511 0.78051023
0.52577398 0.69530741 0.66103292
0.84441149 0.87062370 0.64011320
0.86844413 0.13162699 0.79931482
0.04483209 0.09611709 0.88164163
0.19441705 0.64627960 0.02406841
0.74979028 0.87000251 0.01713497
0.89544549 0.30765740 0.19274320
0.42031651 0.66441418 0.95293862
0.21219289 0.89827567 0.98395444
0.02202389 0.56222159 -0.03006255
0.74882142 0.95737688 0.78324316
0.57302849 0.53712213 0.48648335
0.86115296 0.71555009 0.46991707
0.13588820 0.71001649 0.99131056
0.72197084 0.60602299 0.45672270
No title
1
13.871564 0.683730 -1.037273
0.669912 10.441673 0.314063
-1.068066 0.501035 13.596056
C H O N
43 30 7 2
Direct configuration= 360
0.74937892 0.52653180 0.38206599
0.76714681 0.39243100 0.40048627
0.81271642 0.31860816 0.33495103
0.77139144 0.58604742 0.29496295
0.81713947 0.51255397 0.22969778
0.84077269 0.37992441 0.25187637
-0.00439567 0.31561191 0.20827318
0.05364795 0.23186425 0.15906736
0.15489713 0.23327622 0.17372649
0.03928980 0.40084581 0.27074963
0.14019838 0.40232905 0.28262113
0.20086847 0.31851644 0.23568993
0.31211384 0.32299572 0.25231477
0.33861981 0.42212596 0.17562242
0.40241485 0.51374643 0.20141115
0.43090975 0.59558950 0.12890346
0.30253259 0.41751100 0.07416193
0.33116115 0.49680509 0.00069653
0.39611355 0.58582332 0.02856435
0.50736046 0.71794395 -0.02816550
0.50398941 0.85167469 -0.02867782
0.59183494 0.90569870 -0.01215958
0.59648104 0.63821613 -0.01282856
0.68346735 0.69362883 0.00303547
0.68154332 0.82733971 0.00431717
0.34661397 0.35471023 0.35961490
0.36835905 0.19079215 0.23890140
0.14043663 0.84159974 0.96671291
0.04466522 0.67145413 -0.04105695
0.98282204 0.79090531 0.91011414
0.88573775 0.80816582 0.86569768
0.84681882 0.93340395 0.82593865
0.71717081 0.87066862 0.71627493
0.62789901 0.82262242 0.72195934
0.59413169 0.73449985 0.65537861
0.65176151 0.69670564 0.58458945
0.63889681 0.60327334 0.50641308
0.78506866 0.69267369 0.49760688
0.73954999 0.74786829 0.57939086
0.77470309 0.83440512 0.64420255
0.90247267 0.03703250 0.83141616
0.00047342 0.01720809 0.87704509
0.03983875 0.89301846 0.91515421
0.82999473 0.21447578 0.34959637
0.74901436 0.34581130 0.46776740
0.75622622 0.69023856 0.28038388
0.83862870 0.55833748 0.16402508
0.19852709 0.16528193 0.13570457
0.01904584 0.16529659 0.11055957
-0.00430097 0.46615598 0.31038926
0.17164343 0.47129148 0.33070214
0.48058515 0.66624193 0.15034228
0.43220859 0.52270696 0.27904838
0.25073518 0.35006732 0.05173315
0.30408510 0.49083107 0.92215992
0.59016037 0.01010666 -0.01239388
0.43314831 0.91090637 -0.04080692
0.59719420 0.53399727 0.98722519
0.75283405 0.63101641 0.01388060
0.42676615 0.34631091 0.37561330
0.32198749 0.28596523 0.41167144
0.31847592 0.45228146 0.37492065
0.44745231 0.19726437 0.25401773
0.35135320 0.15997639 0.16330818
0.35131939 0.11618992 0.29176242
0.84068011 0.72910107 0.86235417
0.58684383 0.85269873 0.78023831
0.52554685 0.69532437 0.66077538
0.84438803 0.87077796 0.64019927
0.86836091 0.13217716 0.79990845
0.04491289 0.09667794 0.88238288
0.19463930 0.64657829 0.02413284
0.74960970 0.87071102 0.01688243
0.89540311 0.30725142 0.19296742
0.42008037 0.66449073 0.95284305
0.21233236 0.89882050 0.98451549
0.02227147 0.56231833 -0.03066874
0.74881954 0.95773472 0.78320809
0.57286341 0.53701347 0.48610483
0.86127406 0.71560781 0.47001777
0.13606808 0.71028467 0.99127904
0.72185373 0.60595571 0.45678794
No title
1
13.868851 0.679745 -1.042152
0.666820 10.437393 0.313229
-1.073215 0.500574 13.589972
C H O N
43 30 7 2
Direct configuration= 361
0.74938206 0.52631871 0.38202943
0.76700637 0.39232571 0.40052935
0.81264040 0.31846147 0.33507257
0.77146116 0.58591759 0.29495891
0.81733265 0.51231925 0.22974696
0.84070619 0.37959384 0.25181721
-0.00447497 0.31531244 0.20833742
0.05350824 0.23133943 0.15916436
0.15475959 0.23288127 0.17369849
0.03937995 0.40061599 0.27088108
0.14029277 0.40213058 0.28262481
0.20097515 0.31828262 0.23559807
0.31226303 0.32275905 0.25236533
0.33870238 0.42190141 0.17565916
0.40262150 0.51345298 0.20147943
0.43119700 0.59524858 0.12890720
0.30234854 0.41750501 0.07423759
0.33100854 0.49681387 0.00066311
0.39602396 0.58585875 0.02853953
0.50727533 0.71813850 -0.02823435
0.50377776 0.85198927 -0.02885021
0.59170223 0.90595535 -0.01231427
0.59644110 0.63852322 -0.01298695
0.68332695 0.69416682 0.00277152
0.68134086 0.82778218 0.00406428
0.34690631 0.35426951 0.35980745
0.36841696 0.19054724 0.23882339
0.14055253 0.84206912 0.96705655
0.04480952 0.67150707 -0.04120859
0.98297838 0.79103413 0.91008708
0.88586177 0.80842326 0.86554805
0.84682654 0.93370103 0.82605841
0.71706559 0.87085386 0.71621437
0.62778609 0.82280596 0.72177388
0.59395195 0.73456234 0.65514061
0.65162993 0.69681484 0.58446412
0.63878049 0.60332705 0.50620725
0.78501454 0.69266512 0.49766714
0.73937331 0.74796247 0.57932915
0.77462275 0.83450950 0.64417262
0.90245942 0.03742023 0.83174336
0.00051130 0.01758078 0.87754101
0.04003344 0.89335165 0.91538198
0.82978607 0.21416830 0.34977573
0.74875918 0.34570533 0.46787580
0.75643390 0.68998167 0.28036748
0.83878345 0.55795852 0.16410167
0.19841317 0.16491404 0.13575536
0.01890334 0.16480866 0.11070156
-0.00419140 0.46588852 0.31045527
0.17181081 0.47113734 0.33068020
0.48093759 0.66589687 0.15041093
0.43267446 0.52224092 0.27916517
0.25045211 0.35009903 0.05167819
0.30375009 0.49099954 0.92207322
0.58987159 0.01062052 -0.01260188
0.43288696 0.91111305 -0.04085630
0.59712906 0.53423269 0.98697847
0.75276075 0.63150223 0.01362390
0.42700624 0.34598859 0.37576072
0.32230108 0.28554607 0.41180420
0.31878668 0.45187081 0.37515981
0.44752026 0.19705011 0.25399372
0.35132634 0.15989978 0.16316362
0.35141835 0.11583655 0.29161496
0.84091159 0.72914076 0.86198426
0.58668624 0.85285206 0.77999801
0.52534612 0.69533927 0.66054775
0.84436738 0.87091424 0.64027532
0.86828775 0.13266317 0.80043295
0.04498468 0.09717345 0.88303787
0.19483569 0.64684224 0.02418987
0.74945025 0.87133690 0.01665928
0.89536568 0.30689273 0.19316549
0.41987176 0.66455827 0.95275852
0.21245589 0.89930188 0.98501129
0.02248992 0.56240389 -0.03120425
0.74881794 0.95805086 0.78317713
0.57271742 0.53691742 0.48577033
0.86138107 0.71565884 0.47010679
0.13622700 0.71052166 0.99125127
0.72175030 0.60589624 0.45684553
No title
1
13.866044 0.674835 -1.047614
0.662948 10.433075 0.311492
-1.079010 0.499095 13.582591
C H O N
43 30 7 2
Direct configuration= 362
0.74936028 0.52616429 0.38202045
0.76684039 0.39206685 0.40063250
0.81250577 0.31828609 0.33516313
0.77156248 0.58563950 0.29492196
0.81745665 0.51203942 0.22985884
0.84066466 0.37921967 0.25185147
-0.00447807 0.31491457 0.20844393
0.05332848 0.23082654 0.15930668
0.15466189 0.23246539 0.17370057
0.03945553 0.40031881 0.27095945
0.14045676 0.40187712 0.28259418
0.20102759 0.31798241 0.23551232
0.31245738 0.32246319 0.25237349
0.33879103 0.42167871 0.17575042
0.40291419 0.51311990 0.20152403
0.43150313 0.59485258 0.12898392
0.30218948 0.41752081 0.07423662
0.33081517 0.49684977 0.00074234
0.39597235 0.58587018 0.02848136
0.50712404 0.71835981 -0.02831638
0.50353821 0.85228131 -0.02904268
0.59149355 0.90651974 -0.01252122
0.59636310 0.63885042 -0.01317692
0.68326781 0.69466624 0.00247537
0.68120553 0.82834581 0.00377361
0.34724077 0.35377262 0.36001668
0.36848929 0.19027088 0.23874685
0.14063080 0.84268296 0.96739799
0.04496241 0.67177071 -0.04142557
0.98312881 0.79130187 0.91000108
0.88600261 0.80864691 0.86541249
0.84673301 0.93402497 0.82618110
0.71703868 0.87105659 0.71614701
0.62764251 0.82301506 0.72148746
0.59378980 0.73466629 0.65489369
0.65135859 0.69682593 0.58422160
0.63863128 0.60343127 0.50599732
0.78504913 0.69280951 0.49774995
0.73921759 0.74813433 0.57932363
0.77445044 0.83461032 0.64413498
0.90247808 0.03779680 0.83222617
0.00061309 0.01802019 0.87811668
0.04026703 0.89368753 0.91572717
0.82956506 0.21385993 0.34998594
0.74845282 0.34563854 0.46799066
0.75665063 0.68979979 0.28033167
0.83900577 0.55756577 0.16412132
0.19824948 0.16444039 0.13581131
0.01874400 0.16422458 0.11086433
-0.00408417 0.46564460 0.31057002
0.17199312 0.47097789 0.33068516
0.48130787 0.66545266 0.15050815
0.43316203 0.52167681 0.27923869
0.25011101 0.35009012 0.05158620
0.30335487 0.49117194 0.92194688
0.58954291 0.01114445 -0.01281786
0.43257951 0.91134804 -0.04090677
0.59704208 0.53451168 0.98668958
0.75266817 0.63213197 0.01332357
0.42733815 0.34562653 0.37596225
0.32265854 0.28503050 0.41200409
0.31916976 0.45140530 0.37543598
0.44757276 0.19677045 0.25393711
0.35131332 0.15984726 0.16304448
0.35152846 0.11539280 0.29143207
0.84123520 0.72923658 0.86155330
0.58648032 0.85305081 0.77974176
0.52514137 0.69535221 0.66025999
0.84434908 0.87112090 0.64033105
0.86817471 0.13326367 0.80101140
0.04505187 0.09774144 0.88375968
0.19507925 0.64721489 0.02423172
0.74923082 0.87201097 0.01641034
0.89526731 0.30640138 0.19333256
0.41964373 0.66466300 0.95262952
0.21260712 0.89981299 0.98562831
0.02267186 0.56224628 -0.03179845
0.74882806 0.95833405 0.78310197
0.57258917 0.53680734 0.48539851
0.86144957 0.71562639 0.47022139
0.13647694 0.71083413 0.99125613
0.72164252 0.60574912 0.45683735
No title
1
13.863270 0.669985 -1.053011
0.659122 10.428808 0.309776
-1.084735 0.497633 13.575297
C H O N
43 30 7 2
Direct configuration= 363
0.74933871 0.52601165 0.38201153
0.76667634 0.39181092 0.40073438
0.81237271 0.31811269 0.33525258
0.77166252 0.58536467 0.29488543
0.81757916 0.51176289 0.22996945
0.84062353 0.37884982 0.25188527
-0.00448120 0.31452131 0.20854917
0.05315076 0.23031953 0.15944725
0.15456522 0.23205429 0.17370254
0.03953019 0.40002511 0.27103691
0.14061874 0.40162666 0.28256394
0.20107930 0.31768569 0.23542753
0.31264937 0.32217085 0.25238160
0.33887862 0.42145864 0.17584064
0.40320337 0.51279081 0.20156819
0.43180559 0.59446132 0.12905984
0.30203230 0.41753636 0.07423560
0.33062412 0.49688517 0.00082060
0.39592133 0.58588145 0.02842383
0.50697455 0.71857849 -0.02839750
0.50330147 0.85256985 -0.02923302
0.59128737 0.90707748 -0.01272581
0.59628601 0.63917378 -0.01336470
0.68320936 0.69515982 0.00218265
0.68107181 0.82890284 0.00348629
0.34757127 0.35328165 0.36022360
0.36856066 0.18999775 0.23867118
0.14070847 0.84328975 0.96773566
0.04511346 0.67203135 -0.04163997
0.98327749 0.79156657 0.90991617
0.88614179 0.80886802 0.86527856
0.84664072 0.93434513 0.82630241
0.71701211 0.87125697 0.71608042
0.62750054 0.82322165 0.72120427
0.59362946 0.73476895 0.65464954
0.65109033 0.69683676 0.58398173
0.63848376 0.60353420 0.50578975
0.78508338 0.69295224 0.49783185
0.73906374 0.74830414 0.57931814
0.77428017 0.83470990 0.64409771
0.90249684 0.03816905 0.83270353
0.00071407 0.01845460 0.87868589
0.04049812 0.89401965 0.91606857
0.82934667 0.21355505 0.35019363
0.74815010 0.34557241 0.46810407
0.75686475 0.68962010 0.28029633
0.83922538 0.55717768 0.16414077
0.19808761 0.16397217 0.13586648
0.01858646 0.16364720 0.11102509
-0.00397821 0.46540356 0.31068347
0.17217325 0.47082037 0.33069012
0.48167373 0.66501378 0.15060435
0.43364375 0.52111946 0.27931149
0.24977387 0.35008115 0.05149512
0.30296428 0.49134215 0.92182184
0.58921813 0.01166215 -0.01303145
0.43227571 0.91158018 -0.04095676
0.59695606 0.53478737 0.98640399
0.75257670 0.63275435 0.01302673
0.42766614 0.34526883 0.37616157
0.32301174 0.28452109 0.41220178
0.31954833 0.45094536 0.37570909
0.44762453 0.19649405 0.25388114
0.35130039 0.15979534 0.16292668
0.35163708 0.11495422 0.29125125
0.84155483 0.72933139 0.86112739
0.58627677 0.85324715 0.77948837
0.52493889 0.69536488 0.65997543
0.84433108 0.87132517 0.64038617
0.86806341 0.13385722 0.80158330
0.04511875 0.09830294 0.88447336
0.19532005 0.64758333 0.02427323
0.74901405 0.87267711 0.01616424
0.89517004 0.30591570 0.19349762
0.41941836 0.66476641 0.95250190
0.21275699 0.90031829 0.98623843
0.02285135 0.56209052 -0.03238584
0.74883810 0.95861396 0.78302770
0.57246223 0.53669845 0.48503086
0.86151731 0.71559435 0.47033470
0.13672402 0.71114309 0.99126107
0.72153597 0.60560367 0.45682919
No title
1
13.858872 0.663152 -1.059898
0.653670 10.424249 0.307546
-1.091914 0.495778 13.567083
C H O N
43 30 7 2
Direct configuration= 364
0.74925333 0.52584727 0.38208725
0.76647826 0.39152794 0.40084509
0.81217582 0.31768260 0.33534017
0.77175589 0.58506495 0.29490001
0.81766944 0.51134659 0.22999777
0.84059663 0.37849871 0.25211904
-0.00448245 0.31401290 0.20872634
0.05307360 0.22984406 0.15963648
0.15447034 0.23162857 0.17376627
0.03965008 0.39967905 0.27105719
0.14077956 0.40134038 0.28250263
0.20110258 0.31731253 0.23540808
0.31281866 0.32177426 0.25240680
0.33896683 0.42127069 0.17591996
0.40359857 0.51233725 0.20163722
0.43209465 0.59409982 0.12909013
0.30184078 0.41741359 0.07420743
0.33032353 0.49701369 0.00076518
0.39596234 0.58581876 0.02843575
0.50672890 0.71883480 -0.02853845
0.50306705 0.85289993 -0.02940492
0.59096585 0.90781278 -0.01301294
0.59612952 0.63952298 -0.01360498
0.68316435 0.69564852 0.00185136
0.68092229 0.82964831 0.00315071
0.34790439 0.35281379 0.36038248
0.36864070 0.18969258 0.23861151
0.14085907 0.84380967 0.96812773
0.04529913 0.67199927 -0.04188346
0.98347099 0.79202633 0.90980555
0.88628895 0.80913581 0.86514318
0.84658134 0.93468706 0.82646407
0.71694553 0.87145836 0.71602058
0.62733431 0.82354152 0.72092637
0.59339989 0.73486467 0.65437897
0.65079192 0.69686637 0.58363442
0.63822838 0.60348125 0.50548622
0.78510607 0.69314761 0.49789066
0.73887482 0.74837682 0.57922577
0.77424349 0.83500542 0.64411058
0.90250205 0.03867599 0.83334065
0.00084782 0.01897073 0.87932445
0.04058527 0.89450878 0.91646441
0.82910678 0.21334614 0.35041173
0.74778982 0.34553184 0.46822459
0.75709098 0.68949402 0.28023919
0.83951262 0.55676294 0.16413656
0.19787379 0.16333060 0.13590048
0.01837290 0.16290881 0.11118600
-0.00385262 0.46517578 0.31084811
0.17238210 0.47064877 0.33072319
0.48209402 0.66448191 0.15075521
0.43416029 0.52045469 0.27934800
0.24942387 0.35009965 0.05138379
0.30253854 0.49151774 0.92178781
0.58885764 0.01227180 -0.01324805
0.43194820 0.91181173 -0.04100989
0.59684848 0.53512685 0.98607482
0.75252593 0.63350695 0.01268273
0.42813374 0.34484725 0.37643101
0.32340880 0.28385795 0.41249379
0.32001744 0.45040839 0.37602848
0.44770335 0.19613544 0.25378980
0.35129510 0.15973751 0.16277590
0.35174708 0.11439777 0.29104101
0.84194152 0.72940843 0.86062864
0.58604197 0.85348814 0.77917586
0.52475635 0.69540398 0.65962118
0.84420830 0.87154981 0.64040680
0.86797057 0.13444077 0.80227413
0.04516801 0.09894797 0.88526740
0.19564665 0.64805941 0.02430593
0.74879114 0.87343494 0.01589502
0.89505119 0.30523420 0.19358998
0.41922177 0.66491464 0.95236090
0.21295484 0.90094137 0.98700417
0.02308745 0.56218093 -0.03307664
0.74882657 0.95887638 0.78291141
0.57236759 0.53663459 0.48464937
0.86153811 0.71547790 0.47049696
0.13691437 0.71160117 0.99125979
0.72157055 0.60552996 0.45673819
No title
1
13.855861 0.658473 -1.064613
0.649937 10.421128 0.306020
-1.096829 0.494508 13.561459
C H O N
43 30 7 2
Direct configuration= 365
0.74919483 0.52573464 0.38213908
0.76634255 0.39133404 0.40092083
0.81204087 0.31738793 0.33540006
0.77181976 0.58485969 0.29491000
0.81773117 0.51106148 0.23001715
0.84057819 0.37825821 0.25227915
-0.00448337 0.31366466 0.20884766
0.05302070 0.22951836 0.15976605
0.15440527 0.23133692 0.17380985
0.03973211 0.39944206 0.27107109
0.14088961 0.40114435 0.28246065
0.20111842 0.31705693 0.23539471
0.31293451 0.32150268 0.25242409
0.33902723 0.42114199 0.17597432
0.40386917 0.51202674 0.20168459
0.43229255 0.59385232 0.12911095
0.30170956 0.41732942 0.07418804
0.33011766 0.49710159 0.00072712
0.39599041 0.58577583 0.02844392
0.50656066 0.71901026 -0.02863508
0.50290650 0.85312592 -0.02952273
0.59074572 0.90831628 -0.01320968
0.59602234 0.63976209 -0.01376961
0.68313353 0.69598322 0.00162442
0.68081995 0.83015885 0.00292083
0.34813248 0.35249346 0.36049139
0.36869542 0.18948358 0.23857062
0.14096250 0.84416590 0.96839648
0.04542620 0.67197735 -0.04205022
0.98360361 0.79234133 0.90972990
0.88638976 0.80931929 0.86505052
0.84654083 0.93492126 0.82657485
0.71689995 0.87159628 0.71597959
0.62722044 0.82376054 0.72073594
0.59324257 0.73493012 0.65419353
0.65058740 0.69688651 0.58339637
0.63805333 0.60344485 0.50527816
0.78512169 0.69328145 0.49793099
0.73874541 0.74842651 0.57916243
0.77421846 0.83520783 0.64411942
0.90250600 0.03902328 0.83377723
0.00093981 0.01932438 0.87976206
0.04064524 0.89484389 0.91673571
0.82894251 0.21320295 0.35056105
0.74754310 0.34550392 0.46830702
0.75724588 0.68940776 0.28020010
0.83970924 0.55647898 0.16413373
0.19772719 0.16289105 0.13592362
0.01822650 0.16240295 0.11129608
-0.00376660 0.46501983 0.31096093
0.17252511 0.47053133 0.33074590
0.48238180 0.66411778 0.15085865
0.43451391 0.51999955 0.27937311
0.24918411 0.35011216 0.05130739
0.30224697 0.49163783 0.92176437
0.58861081 0.01268922 -0.01339650
0.43172393 0.91197020 -0.04104639
0.59677476 0.53535930 0.98584931
0.75249122 0.63402241 0.01244712
0.42845401 0.34455870 0.37661573
0.32368070 0.28340391 0.41269392
0.32033872 0.45004079 0.37624740
0.44775721 0.19588983 0.25372719
0.35129141 0.15969789 0.16267258
0.35182219 0.11401664 0.29089694
0.84220620 0.72946132 0.86028707
0.58588110 0.85365309 0.77896169
0.52463120 0.69543065 0.65937841
0.84412428 0.87170364 0.64042091
0.86790741 0.13484051 0.80274748
0.04520222 0.09938988 0.88581153
0.19587048 0.64838565 0.02432851
0.74863857 0.87395391 0.01571059
0.89496965 0.30476735 0.19365313
0.41908711 0.66501609 0.95226424
0.21309082 0.90136830 0.98752895
0.02324892 0.56224290 -0.03354983
0.74881871 0.95905612 0.78283176
0.57230260 0.53659078 0.48438796
0.86155239 0.71539816 0.47060812
0.13704486 0.71191502 0.99125904
0.72159419 0.60547949 0.45667585
No title
1
13.851436 0.652099 -1.071531
0.644789 10.417911 0.304115
-1.103980 0.493083 13.554045
C H O N
43 30 7 2
Direct configuration= 366
0.74912788 0.52551250 0.38219383
0.76615561 0.39112789 0.40096130
0.81177167 0.31700502 0.33553217
0.77188238 0.58465875 0.29495342
0.81777394 0.51070065 0.22996072
0.84061421 0.37784104 0.25254717
-0.00456927 0.31313152 0.20902031
0.05298502 0.22902435 0.15987352
0.15436651 0.23087885 0.17387253
0.03982463 0.39922509 0.27111948
0.14100472 0.40094895 0.28243766
0.20120573 0.31670522 0.23547239
0.31302351 0.32112440 0.25249924
0.33907663 0.42093945 0.17597196
0.40424931 0.51154160 0.20170810
0.43253323 0.59358778 0.12910830
0.30155684 0.41719560 0.07414329
0.32980221 0.49724343 0.00064343
0.39604212 0.58564923 0.02844001
0.50636507 0.71927494 -0.02881253
0.50266745 0.85347586 -0.02964810
0.59049684 0.90882525 -0.01349374
0.59585435 0.64014058 -0.01401926
0.68297094 0.69659158 0.00130588
0.68054151 0.83083618 0.00257823
0.34845759 0.35202089 0.36064060
0.36875319 0.18917649 0.23852709
0.14117768 0.84454270 0.96878770
0.04566737 0.67220056 -0.04235434
0.98376725 0.79268751 0.90966986
0.88652953 0.80966273 0.86491909
0.84659091 0.93525739 0.82675738
0.71680881 0.87178151 0.71590873
0.62701675 0.82404873 0.72051824
0.59305128 0.73504567 0.65391618
0.65035330 0.69700906 0.58309730
0.63800216 0.60342874 0.50496993
0.78495930 0.69331685 0.49794247
0.73861222 0.74853395 0.57906992
0.77416880 0.83543633 0.64408195
0.90247128 0.03955809 0.83441031
0.00097148 0.01988821 0.88030739
0.04067743 0.89540856 0.91712002
0.82874762 0.21296943 0.35075785
0.74719908 0.34546369 0.46842154
0.75745220 0.68926028 0.28014799
0.83998402 0.55607237 0.16416107
0.19748800 0.16224422 0.13595066
0.01803358 0.16172059 0.11147850
-0.00358754 0.46476948 0.31109336
0.17272034 0.47034978 0.33077423
0.48280906 0.66364055 0.15103900
0.43500486 0.51937259 0.27943626
0.24887255 0.35013075 0.05119886
0.30184529 0.49179121 0.92177151
0.58827908 0.01338313 -0.01357976
0.43145717 0.91213303 -0.04109199
0.59666172 0.53566926 0.98554278
0.75253912 0.63470315 0.01212879
0.42890213 0.34415520 0.37687727
0.32406397 0.28278443 0.41296235
0.32078751 0.44956829 0.37655273
0.44788046 0.19553100 0.25363313
0.35128509 0.15962218 0.16248604
0.35190845 0.11346166 0.29070262
0.84254360 0.72944201 0.85981005
0.58566629 0.85390223 0.77865341
0.52444739 0.69547065 0.65903650
0.84401383 0.87195048 0.64040572
0.86787082 0.13527663 0.80344339
0.04524576 0.10001456 0.88654434
0.19617086 0.64893097 0.02431959
0.74852040 0.87471440 0.01547602
0.89487081 0.30412211 0.19374877
0.41891732 0.66511964 0.95219095
0.21325116 0.90196277 0.98828140
0.02344938 0.56224878 -0.03417639
0.74879329 0.95932138 0.78276243
0.57203906 0.53636660 0.48399106
0.86168801 0.71531834 0.47075820
0.13720509 0.71223880 0.99130801
0.72166017 0.60553579 0.45659970
No title
1
13.846236 0.644609 -1.079659
0.638740 10.414131 0.301877
-1.112381 0.491407 13.545334
C H O N
43 30 7 2
Direct configuration= 367
0.74904914 0.52525139 0.38225811
0.76593582 0.39088550 0.40100871
0.81145518 0.31655484 0.33568723
0.77195591 0.58442264 0.29500447
0.81782402 0.51027661 0.22989434
0.84065654 0.37735079 0.25286221
-0.00467034 0.31250488 0.20922312
0.05294294 0.22844374 0.15999976
0.15432080 0.23034048 0.17394611
0.03993331 0.39897016 0.27117638
0.14113991 0.40071939 0.28241066
0.20130824 0.31629192 0.23556369
0.31312800 0.32067988 0.25258758
0.33913460 0.42070146 0.17596919
0.40469591 0.51097168 0.20173589
0.43281598 0.59327703 0.12910529
0.30137724 0.41703823 0.07409056
0.32943147 0.49740992 0.00054487
0.39610283 0.58550048 0.02843543
0.50613519 0.71958588 -0.02902121
0.50238656 0.85388696 -0.02979558
0.59020435 0.90942322 -0.01382774
0.59565691 0.64058526 -0.01431279
0.68277990 0.69730644 0.00093142
0.68021431 0.83163201 0.00217543
0.34883960 0.35146573 0.36081612
0.36882094 0.18881560 0.23847589
0.14143100 0.84498572 0.96924784
0.04595073 0.67246303 -0.04271169
0.98395970 0.79309447 0.90959944
0.88669386 0.81006644 0.86476474
0.84665004 0.93565249 0.82697205
0.71670172 0.87199914 0.71582541
0.62677733 0.82438727 0.72026223
0.59282633 0.73518132 0.65359003
0.65007802 0.69715290 0.58274558
0.63794181 0.60340974 0.50460753
0.78476846 0.69335834 0.49795588
0.73845566 0.74866013 0.57896110
0.77411052 0.83570485 0.64403790
0.90243111 0.04018667 0.83515466
0.00100931 0.02055093 0.88094863
0.04071577 0.89607225 0.91757196
0.82851860 0.21269487 0.35098904
0.74679480 0.34541620 0.46855596
0.75769460 0.68908709 0.28008682
0.84030681 0.55559469 0.16419331
0.19720662 0.16148386 0.13598217
0.01780665 0.16091852 0.11169270
-0.00337710 0.46447540 0.31124911
0.17294974 0.47013654 0.33080763
0.48331115 0.66307999 0.15125119
0.43558167 0.51863607 0.27951069
0.24850630 0.35015238 0.05107109
0.30137326 0.49197121 0.92177970
0.58788937 0.01419843 -0.01379528
0.43114368 0.91232422 -0.04114574
0.59652879 0.53603344 0.98518242
0.75259550 0.63550319 0.01175471
0.42942882 0.34368129 0.37718494
0.32451435 0.28205665 0.41327805
0.32131498 0.44901329 0.37691187
0.44802511 0.19510936 0.25352255
0.35127750 0.15953317 0.16226672
0.35200945 0.11280945 0.29047412
0.84293984 0.72941949 0.85924946
0.58541371 0.85419486 0.77829090
0.52423115 0.69551750 0.65863443
0.84388412 0.87224051 0.64038785
0.86782847 0.13578923 0.80426159
0.04529768 0.10074882 0.88740600
0.19652415 0.64957206 0.02430939
0.74838169 0.87560807 0.01520032
0.89475443 0.30336372 0.19386102
0.41871776 0.66524121 0.95210470
0.21344036 0.90266161 0.98916622
0.02368457 0.56225577 -0.03491286
0.74876348 0.95963310 0.78268096
0.57172895 0.53610293 0.48352426
0.86184747 0.71522463 0.47093471
0.13739358 0.71261943 0.99136575
0.72173769 0.60560199 0.45651022
No title
1
13.840556 0.637661 -1.086416
0.633134 10.410675 0.300185
-1.119328 0.490291 13.537658
C H O N
43 30 7 2
Direct configuration= 368
0.74904727 0.52506286 0.38219673
0.76570486 0.39069332 0.40108578
0.81115638 0.31630380 0.33582434
0.77204154 0.58420056 0.29499066
0.81781436 0.50993199 0.22990978
0.84071121 0.37687457 0.25304424
-0.00473996 0.31194568 0.20938273
0.05283463 0.22790794 0.16005898
0.15434562 0.22982068 0.17402025
0.03995584 0.39876863 0.27122057
0.14124842 0.40055986 0.28242648
0.20142620 0.31593022 0.23570559
0.31320445 0.32034068 0.25269554
0.33916662 0.42039100 0.17593146
0.40505801 0.51047811 0.20169548
0.43306275 0.59301253 0.12915228
0.30124936 0.41697578 0.07399629
0.32915226 0.49750079 0.00057361
0.39610027 0.58535138 0.02834577
0.50597974 0.71991231 -0.02922678
0.50212219 0.85420018 -0.02990979
0.58995318 0.90995557 -0.01411624
0.59550219 0.64100080 -0.01459020
0.68259025 0.69797165 0.00061926
0.67997454 0.83227530 0.00184230
0.34921733 0.35092972 0.36104168
0.36886872 0.18846524 0.23840873
0.14162984 0.84541829 0.96964204
0.04616591 0.67273024 -0.04307072
0.98412097 0.79338276 0.90959980
0.88681479 0.81034869 0.86463236
0.84672507 0.93607185 0.82714686
0.71660243 0.87221251 0.71572909
0.62655790 0.82458831 0.72002256
0.59265459 0.73535444 0.65329372
0.64990693 0.69734271 0.58248690
0.63778148 0.60323483 0.50425812
0.78479711 0.69337388 0.49785812
0.73836273 0.74886562 0.57887861
0.77395494 0.83580916 0.64393846
0.90236418 0.04070048 0.83579005
0.00096095 0.02122496 0.88148266
0.04082319 0.89659908 0.91799363
0.82834909 0.21232234 0.35119845
0.74645698 0.34538105 0.46863543
0.75789736 0.68888521 0.28004947
0.84057693 0.55516052 0.16424821
0.19694635 0.16081277 0.13601570
0.01763862 0.16026450 0.11191606
-0.00314242 0.46419969 0.31136122
0.17315503 0.46994905 0.33083480
0.48378422 0.66264633 0.15145782
0.43609882 0.51800725 0.27961775
0.24818901 0.35014691 0.05095482
0.30092821 0.49212000 0.92172050
0.58756965 0.01488907 -0.01396682
0.43088700 0.91246456 -0.04119004
0.59640151 0.53636235 0.98487784
0.75262739 0.63625016 0.01142340
0.42982613 0.34326576 0.37742841
0.32492451 0.28149194 0.41349514
0.32176788 0.44855688 0.37722072
0.44818075 0.19474116 0.25343108
0.35126435 0.15943104 0.16204389
0.35208025 0.11223369 0.29028264
0.84326142 0.72937360 0.85875754
0.58517892 0.85448622 0.77800370
0.52401018 0.69555236 0.65828465
0.84384038 0.87254907 0.64034526
0.86780671 0.13621191 0.80498719
0.04534169 0.10140395 0.88813608
0.19682774 0.65015524 0.02427670
0.74826135 0.87638112 0.01495822
0.89464239 0.30277369 0.19405769
0.41852977 0.66528906 0.95209021
0.21357217 0.90321723 0.98994476
0.02391589 0.56240071 -0.03554533
0.74876736 0.95992954 0.78269463
0.57157877 0.53596857 0.48314290
0.86186023 0.71513328 0.47116830
0.13759163 0.71287623 0.99145778
0.72168089 0.60561908 0.45643259
No title
1
13.834647 0.630432 -1.093446
0.627301 10.407080 0.298424
-1.126555 0.489129 13.529672
C H O N
43 30 7 2
Direct configuration= 369
0.74904520 0.52486666 0.38213281
0.76546444 0.39049318 0.40116586
0.81084536 0.31604235 0.33596687
0.77213056 0.58396950 0.29497629
0.81780418 0.50957335 0.22992579
0.84076801 0.37637901 0.25323368
-0.00481257 0.31136369 0.20954875
0.05272171 0.22735027 0.16012047
0.15437127 0.22927975 0.17409738
0.03997923 0.39855892 0.27126655
0.14136129 0.40039391 0.28244298
0.20154891 0.31555388 0.23585331
0.31328394 0.31998773 0.25280791
0.33919979 0.42006792 0.17589215
0.40543466 0.50996468 0.20165354
0.43331951 0.59273743 0.12920129
0.30111617 0.41691072 0.07389807
0.32886171 0.49759517 0.00060338
0.39609749 0.58519620 0.02825241
0.50581796 0.72025191 -0.02944081
0.50184708 0.85452597 -0.03002878
0.58969183 0.91050941 -0.01441663
0.59534118 0.64143313 -0.01487901
0.68239297 0.69866381 0.00029429
0.67972506 0.83294459 0.00149548
0.34961038 0.35037216 0.36127661
0.36891827 0.18810066 0.23833878
0.14183720 0.84586860 0.97005258
0.04638979 0.67300844 -0.04344431
0.98428895 0.79368289 0.90960030
0.88694070 0.81064249 0.86449467
0.84680344 0.93650834 0.82732894
0.71649913 0.87243449 0.71562879
0.62632946 0.82479738 0.71977298
0.59247575 0.73553448 0.65298519
0.64972879 0.69754011 0.58221755
0.63761435 0.60305269 0.50389426
0.78482687 0.69339006 0.49775636
0.73826604 0.74907941 0.57879272
0.77379301 0.83591761 0.64383488
0.90229511 0.04123520 0.83645154
0.00091121 0.02192640 0.88203867
0.04093545 0.89714744 0.91843274
0.82817262 0.21193456 0.35141631
0.74610540 0.34534426 0.46871797
0.75810829 0.68867525 0.28001066
0.84085792 0.55470886 0.16430545
0.19667520 0.16011420 0.13605037
0.01746358 0.15958378 0.11214839
-0.00289821 0.46391291 0.31147801
0.17336863 0.46975406 0.33086317
0.48427653 0.66219534 0.15167312
0.43663688 0.51735318 0.27972937
0.24785870 0.35014101 0.05083361
0.30046502 0.49227454 0.92165867
0.58723708 0.01560759 -0.01414545
0.43061987 0.91261046 -0.04123628
0.59626900 0.53670454 0.98456075
0.75266071 0.63702753 0.01107863
0.43023963 0.34283359 0.37768202
0.32535130 0.28090452 0.41372126
0.32223925 0.44808220 0.37754240
0.44834254 0.19435808 0.25333589
0.35125049 0.15932474 0.16181191
0.35215359 0.11163454 0.29008326
0.84359582 0.72932603 0.85824561
0.58493450 0.85478928 0.77770465
0.52378000 0.69558849 0.65792040
0.84379496 0.87287016 0.64030094
0.86778466 0.13665180 0.80574261
0.04538819 0.10208579 0.88889622
0.19714394 0.65076234 0.02424293
0.74813628 0.87718554 0.01470624
0.89452563 0.30215959 0.19426228
0.41833412 0.66533873 0.95207503
0.21371004 0.90379558 0.99075538
0.02415635 0.56255167 -0.03620359
0.74877154 0.96023805 0.78270890
0.57142218 0.53582862 0.48274581
0.86187360 0.71503823 0.47141146
0.13779793 0.71314361 0.99155372
0.72162174 0.60563683 0.45635174
No title
1
13.829588 0.624252 -1.099617
0.622341 10.403808 0.297190
-1.132916 0.488490 13.522734
C H O N
43 30 7 2
Direct configuration= 370
0.74907965 0.52479622 0.38201914
0.76519552 0.39038896 0.40126386
0.81064958 0.31579063 0.33606814
0.77224364 0.58372573 0.29486037
0.81782069 0.50917152 0.23001224
0.84071116 0.37604448 0.25328604
-0.00478989 0.31087950 0.20966633
0.05259740 0.22690397 0.16021674
0.15434869 0.22881415 0.17421811
0.04000644 0.39824540 0.27124475
0.14142727 0.40019241 0.28247055
0.20161227 0.31517992 0.23601295
0.31342863 0.31969010 0.25292695
0.33925498 0.41966555 0.17586597
0.40573203 0.50950707 0.20165342
0.43356375 0.59247063 0.12923831
0.30095115 0.41681827 0.07384648
0.32865748 0.49761968 0.00058871
0.39607923 0.58512173 0.02820946
0.50567386 0.72052907 -0.02962835
0.50161621 0.85478493 -0.03014105
0.58942891 0.91113932 -0.01466741
0.59522312 0.64180562 -0.01516902
0.68232614 0.69918301 0.00003109
0.67964681 0.83359919 0.00122629
0.34998481 0.34992631 0.36155139
0.36897129 0.18773520 0.23823229
0.14190183 0.84631276 0.97041654
0.04656611 0.67320163 -0.04376571
0.98443620 0.79400414 0.90964823
0.88704334 0.81078891 0.86437170
0.84679743 0.93684562 0.82746809
0.71637536 0.87267902 0.71554159
0.62617787 0.82495966 0.71957528
0.59227110 0.73569278 0.65266199
0.64963656 0.69768869 0.58198048
0.63747428 0.60301050 0.50369024
0.78478816 0.69339248 0.49775887
0.73816751 0.74919356 0.57855529
0.77370461 0.83611005 0.64378982
0.90222816 0.04168939 0.83700059
0.00090139 0.02249347 0.88262468
0.04108869 0.89759628 0.91881143
0.82801287 0.21152142 0.35161700
0.74579984 0.34530531 0.46876034
0.75828713 0.68842630 0.27999324
0.84107323 0.55426425 0.16441290
0.19646075 0.15945596 0.13608356
0.01731181 0.15896471 0.11235269
-0.00267255 0.46369732 0.31158534
0.17358661 0.46962325 0.33090975
0.48475557 0.66185273 0.15187740
0.43712309 0.51677083 0.27981825
0.24756984 0.35012513 0.05071334
0.30000869 0.49241176 0.92154998
0.58696743 0.01612886 -0.01429341
0.43035021 0.91274614 -0.04127770
0.59613377 0.53707145 0.98428657
0.75256069 0.63787688 0.01074748
0.43055299 0.34242686 0.37787291
0.32574779 0.28043326 0.41386938
0.32266711 0.44763292 0.37782698
0.44848170 0.19401980 0.25325957
0.35122393 0.15919528 0.16157600
0.35219865 0.11109443 0.28990982
0.84385894 0.72929718 0.85777097
0.58468994 0.85509964 0.77747118
0.52355251 0.69562989 0.65758584
0.84376127 0.87317735 0.64023603
0.86773481 0.13712467 0.80641258
0.04542019 0.10274752 0.88955632
0.19749103 0.65121173 0.02423023
0.74795871 0.87787078 0.01445710
0.89441907 0.30166501 0.19457690
0.41814337 0.66535943 0.95206679
0.21386844 0.90428523 0.99150770
0.02439738 0.56286618 -0.03681044
0.74881500 0.96052803 0.78279746
0.57129854 0.53565779 0.48236015
0.86203700 0.71501625 0.47159690
0.13797198 0.71350589 0.99160809
0.72142759 0.60544715 0.45614902
No title
1
13.823272 0.616537 -1.107321
0.616149 10.399723 0.295649
-1.140856 0.487692 13.514074
C H O N
43 30 7 2
Direct configuration= 371
0.74912256 0.52470828 0.38187717
0.76485969 0.39025864 0.40138610
0.81040504 0.31547616 0.33619447
0.77238467 0.58342140 0.29471561
0.81784119 0.50866977 0.23012016
0.84064005 0.37562671 0.25335136
-0.00476170 0.31027491 0.20981314
0.05244202 0.22634659 0.16033685
0.15432036 0.22823274 0.17436883
0.04004026 0.39785392 0.27121749
0.14150959 0.39994083 0.28250498
0.20169132 0.31471299 0.23621233
0.31360927 0.31931855 0.25307568
0.33932370 0.41916315 0.17583325
0.40610318 0.50893584 0.20165339
0.43386867 0.59213764 0.12928465
0.30074499 0.41670272 0.07378194
0.32840243 0.49765016 0.00057026
0.39605637 0.58502872 0.02815580
0.50549391 0.72087507 -0.02986265
0.50132794 0.85510813 -0.03028138
0.58910070 0.91192572 -0.01498071
0.59507567 0.64227067 -0.01553126
0.68224274 0.69983130 -0.00029762
0.67954921 0.83441655 0.00089011
0.35045238 0.34936984 0.36189476
0.36903728 0.18727889 0.23809925
0.14198296 0.84686742 0.97087124
0.04678618 0.67344299 -0.04416702
0.98462026 0.79440540 0.90970822
0.88717150 0.81097180 0.86421818
0.84679017 0.93726679 0.82764193
0.71622086 0.87298428 0.71543264
0.62598850 0.82516219 0.71932827
0.59201540 0.73589031 0.65225819
0.64952129 0.69787416 0.58168433
0.63729922 0.60295773 0.50343532
0.78473983 0.69339548 0.49776198
0.73804436 0.74933602 0.57825870
0.77359427 0.83635028 0.64373352
0.90214510 0.04225650 0.83768641
0.00088976 0.02320157 0.88335671
0.04128049 0.89815686 0.91928460
0.82781330 0.21100541 0.35186752
0.74541825 0.34525647 0.46881308
0.75851036 0.68811555 0.27997156
0.84134198 0.55370919 0.16454718
0.19619267 0.15863386 0.13612481
0.01712214 0.15819158 0.11260770
-0.00239075 0.46342825 0.31171950
0.17385881 0.46946005 0.33096805
0.48535378 0.66142522 0.15213280
0.43773008 0.51604397 0.27992948
0.24720903 0.35010509 0.05056293
0.29943881 0.49258279 0.92141397
0.58663081 0.01677959 -0.01447831
0.43001349 0.91291538 -0.04132958
0.59596487 0.53752952 0.98394408
0.75243595 0.63893741 0.01033392
0.43094428 0.34191919 0.37811147
0.32624282 0.27984506 0.41405455
0.32320141 0.44707219 0.37818263
0.44865530 0.19359749 0.25316427
0.35119056 0.15903361 0.16128130
0.35225458 0.11042000 0.28969313
0.84418721 0.72926134 0.85717828
0.58438453 0.85548702 0.77717947
0.52326821 0.69568144 0.65716782
0.84371930 0.87356093 0.64015498
0.86767318 0.13771512 0.80724944
0.04546087 0.10357386 0.89038094
0.19792468 0.65177312 0.02421465
0.74773711 0.87872633 0.01414591
0.89428597 0.30104735 0.19496975
0.41790515 0.66538515 0.95205639
0.21406693 0.90489679 0.99244754
0.02469815 0.56325907 -0.03756823
0.74886946 0.96089016 0.78290815
0.57114382 0.53544438 0.48187835
0.86224116 0.71498892 0.47182861
0.13818954 0.71395840 0.99167615
0.72118491 0.60521017 0.45589567
No title
1
13.817505 0.609959 -1.114420
0.610822 10.396434 0.294186
-1.148157 0.486881 13.506072
C H O N
43 30 7 2
Direct configuration= 372
0.74910651 0.52457020 0.38177884
0.76461651 0.39016926 0.40131927
0.81025580 0.31511416 0.33635446
0.77249701 0.58317237 0.29458096
0.81797746 0.50820573 0.23009682
0.84042377 0.37525146 0.25346111
-0.00480275 0.30982152 0.20990872
0.05236192 0.22584014 0.16049184
0.15420367 0.22769185 0.17453562
0.04015042 0.39747191 0.27122961
0.14160088 0.39963310 0.28256418
0.20173358 0.31424816 0.23638902
0.31384747 0.31889171 0.25321637
0.33948029 0.41870263 0.17588617
0.40639148 0.50841413 0.20172170
0.43419784 0.59183176 0.12934910
0.30049428 0.41650952 0.07376941
0.32819246 0.49759820 0.00041487
0.39603647 0.58501177 0.02822567
0.50529965 0.72106139 -0.03004952
0.50111509 0.85548232 -0.03043063
0.58890708 0.91246639 -0.01520850
0.59500222 0.64272174 -0.01588039
0.68215154 0.70054122 -0.00060473
0.67934745 0.83516483 0.00058583
0.35083004 0.34900027 0.36213305
0.36912225 0.18684776 0.23797011
0.14211756 0.84746003 0.97135958
0.04707551 0.67402708 -0.04447560
0.98473127 0.79486627 0.90974838
0.88732468 0.81116574 0.86407932
0.84676058 0.93744370 0.82782922
0.71612880 0.87333219 0.71535767
0.62580805 0.82536818 0.71916678
0.59176139 0.73605713 0.65185931
0.64936492 0.69793075 0.58139973
0.63713989 0.60297168 0.50324781
0.78475626 0.69332472 0.49770222
0.73796661 0.74954306 0.57798282
0.77357376 0.83667110 0.64367059
0.90211201 0.04273474 0.83827734
0.00097261 0.02370948 0.88413924
0.04137813 0.89871309 0.91964282
0.82759767 0.21061262 0.35208059
0.74505586 0.34518864 0.46888372
0.75870834 0.68780543 0.27993772
0.84153142 0.55314346 0.16474730
0.19597508 0.15790639 0.13620106
0.01693772 0.15746110 0.11281581
-0.00214321 0.46319564 0.31181475
0.17411046 0.46933624 0.33102127
0.48588689 0.66103868 0.15234306
0.43827392 0.51537671 0.27998057
0.24687138 0.35006635 0.05040551
0.29889903 0.49274739 0.92129080
0.58634119 0.01736872 -0.01464146
0.42966181 0.91307421 -0.04137436
0.59579761 0.53798366 0.98363934
0.75229922 0.63994216 0.00995610
0.43133069 0.34142644 0.37831126
0.32668092 0.27928880 0.41422963
0.32369071 0.44655197 0.37851697
0.44877058 0.19321182 0.25308364
0.35114006 0.15884971 0.16099093
0.35229076 0.10982483 0.28948174
0.84442352 0.72921999 0.85661781
0.58411069 0.85584416 0.77690697
0.52299918 0.69574668 0.65676424
0.84365158 0.87390957 0.64007004
0.86756266 0.13837347 0.80799705
0.04546606 0.10436158 0.89111895
0.19833241 0.65222793 0.02419112
0.74757958 0.87954735 0.01385463
0.89424853 0.30045997 0.19537138
0.41770697 0.66547091 0.95197959
0.21419384 0.90538791 0.99329819
0.02490773 0.56334013 -0.03826853
0.74884633 0.96118709 0.78298591
0.57096618 0.53520773 0.48145000
0.86239777 0.71496059 0.47205376
0.13842912 0.71443873 0.99171524
0.72100369 0.60508289 0.45563863
No title
1
13.812276 0.603996 -1.120857
0.605991 10.393451 0.292860
-1.154778 0.486146 13.498816
C H O N
43 30 7 2
Direct configuration= 373
0.74909185 0.52444495 0.38168959
0.76439584 0.39008806 0.40125850
0.81012038 0.31478575 0.33649951
0.77259875 0.58294655 0.29445882
0.81810090 0.50778490 0.23007565
0.84022749 0.37491099 0.25356053
-0.00484010 0.30941027 0.20999536
0.05228917 0.22538075 0.16063236
0.15409772 0.22720120 0.17468683
0.04025023 0.39712548 0.27124063
0.14168361 0.39935403 0.28261790
0.20177184 0.31382656 0.23654931
0.31406349 0.31850469 0.25334409
0.33962221 0.41828501 0.17593420
0.40665287 0.50794108 0.20178376
0.43449638 0.59155450 0.12940770
0.30026677 0.41633414 0.07375790
0.32800188 0.49755095 0.00027378
0.39601846 0.58499639 0.02828905
0.50512338 0.72123028 -0.03021914
0.50092206 0.85582160 -0.03056612
0.58873151 0.91295670 -0.01541521
0.59493557 0.64313083 -0.01619716
0.68206889 0.70118508 -0.00088333
0.67916451 0.83584343 0.00030973
0.35117263 0.34866527 0.36234940
0.36919911 0.18645676 0.23785292
0.14224013 0.84799761 0.97180282
0.04733802 0.67455701 -0.04475537
0.98483215 0.79528435 0.90978493
0.88746364 0.81134172 0.86395343
0.84673391 0.93760415 0.82799916
0.71604537 0.87364771 0.71528964
0.62564433 0.82555492 0.71902019
0.59153081 0.73620830 0.65149729
0.64922294 0.69798199 0.58114142
0.63699526 0.60298425 0.50307760
0.78477111 0.69326055 0.49764799
0.73789601 0.74973081 0.57773249
0.77355522 0.83696207 0.64361352
0.90208247 0.04316851 0.83881357
0.00104835 0.02417021 0.88484938
0.04146709 0.89921766 0.91996796
0.82740203 0.21025625 0.35227376
0.74472712 0.34512693 0.46894763
0.75888781 0.68752424 0.27990707
0.84170317 0.55263042 0.16492891
0.19577748 0.15724645 0.13627005
0.01677027 0.15679844 0.11300445
-0.00191867 0.46298478 0.31190126
0.17433873 0.46922407 0.33106967
0.48637047 0.66068836 0.15253407
0.43876706 0.51477178 0.28002712
0.24656499 0.35003102 0.05026250
0.29840935 0.49289639 0.92117880
0.58607858 0.01790292 -0.01478956
0.42934281 0.91321808 -0.04141515
0.59564588 0.53839548 0.98336280
0.75217533 0.64085341 0.00961334
0.43168116 0.34097971 0.37849266
0.32707824 0.27878450 0.41438864
0.32413457 0.44608038 0.37882051
0.44887497 0.19286208 0.25301048
0.35109403 0.15868288 0.16072741
0.35232327 0.10928501 0.28928988
0.84463759 0.72918260 0.85610938
0.58386226 0.85616795 0.77665964
0.52275494 0.69580571 0.65639794
0.84359023 0.87422577 0.63999298
0.86746303 0.13897056 0.80867540
0.04547144 0.10507607 0.89178867
0.19870243 0.65264067 0.02417003
0.74743681 0.88029195 0.01359035
0.89421458 0.29992720 0.19573571
0.41752718 0.66554860 0.95190982
0.21430958 0.90583345 0.99407015
0.02509750 0.56341375 -0.03890383
0.74882548 0.96145640 0.78305648
0.57080472 0.53499299 0.48106122
0.86253994 0.71493497 0.47225812
0.13864665 0.71487453 0.99175089
0.72083911 0.60496734 0.45540529
No title
1
13.806586 0.596971 -1.127732
0.600330 10.389741 0.291111
-1.161907 0.484985 13.490325
C H O N
43 30 7 2
Direct configuration= 374
0.74899775 0.52425946 0.38156202
0.76420922 0.38987513 0.40116110
0.80998611 0.31441383 0.33668643
0.77270418 0.58264157 0.29436062
0.81823842 0.50737877 0.23007419
0.84000866 0.37443687 0.25371230
-0.00495283 0.30905834 0.21008726
0.05215897 0.22481795 0.16077068
0.15401125 0.22660988 0.17485026
0.04037512 0.39682027 0.27133709
0.14187942 0.39901498 0.28273253
0.20185013 0.31334556 0.23670699
0.31427976 0.31800852 0.25346066
0.33980908 0.41785731 0.17602197
0.40693719 0.50749676 0.20184891
0.43485003 0.59122412 0.12955960
0.30006570 0.41619873 0.07370817
0.32781989 0.49740737 0.00020527
0.39595026 0.58496946 0.02834459
0.50494407 0.72146599 -0.03038434
0.50071285 0.85614338 -0.03073527
0.58856234 0.91340935 -0.01559747
0.59487588 0.64359993 -0.01653811
0.68188652 0.70202863 -0.00120947
0.67893864 0.83652688 0.00002938
0.35151016 0.34829231 0.36248355
0.36928167 0.18602332 0.23773986
0.14235963 0.84859049 0.97230346
0.04756809 0.67478748 -0.04495377
0.98495984 0.79577264 0.90981656
0.88756334 0.81149414 0.86379994
0.84675134 0.93781122 0.82820974
0.71597196 0.87398395 0.71520878
0.62546888 0.82575846 0.71884046
0.59130630 0.73640343 0.65114932
0.64905339 0.69802289 0.58087572
0.63676257 0.60286742 0.50280248
0.78481491 0.69314995 0.49751627
0.73782750 0.75003936 0.57757217
0.77349543 0.83727327 0.64348299
0.90207333 0.04356011 0.83937095
0.00110836 0.02475196 0.88560482
0.04154627 0.89974158 0.92032342
0.82716173 0.20995002 0.35247149
0.74437897 0.34509911 0.46895955
0.75907598 0.68726299 0.27983648
0.84189018 0.55208966 0.16506624
0.19556148 0.15661245 0.13641333
0.01659364 0.15609491 0.11320666
-0.00167854 0.46273361 0.31194811
0.17456287 0.46907852 0.33109197
0.48686184 0.66028716 0.15270917
0.43930150 0.51411207 0.28007093
0.24619120 0.34993355 0.05009082
0.29786257 0.49306738 0.92102377
0.58581427 0.01846973 -0.01494662
0.42899412 0.91336832 -0.04145261
0.59549217 0.53884269 0.98306822
0.75210798 0.64179334 0.00925807
0.43211064 0.34048322 0.37868264
0.32749171 0.27822818 0.41457259
0.32459195 0.44564177 0.37916386
0.44896486 0.19247397 0.25293815
0.35103061 0.15848059 0.16044548
0.35235449 0.10873166 0.28905896
0.84484289 0.72916634 0.85555543
0.58360168 0.85650683 0.77638672
0.52248105 0.69588532 0.65597686
0.84354960 0.87459430 0.63990874
0.86733502 0.13963226 0.80941933
0.04543958 0.10582526 0.89251836
0.19904718 0.65308754 0.02410700
0.74731820 0.88113865 0.01329851
0.89421804 0.29929003 0.19610887
0.41734107 0.66566242 0.95180552
0.21449405 0.90637756 0.99492591
0.02536458 0.56381915 -0.03963327
0.74872902 0.96169446 0.78309764
0.57065852 0.53482712 0.48070860
0.86266017 0.71487003 0.47247269
0.13895692 0.71532135 0.99179860
0.72077098 0.60505559 0.45522224
No title
1
13.801265 0.590401 -1.134163
0.595035 10.386271 0.289475
-1.168575 0.483899 13.482383
C H O N
43 30 7 2
Direct configuration= 375
0.74890955 0.52408583 0.38144254
0.76403444 0.38967578 0.40106980
0.80986042 0.31406576 0.33686128
0.77280267 0.58235626 0.29426871
0.81836695 0.50699883 0.23007283
0.83980378 0.37399311 0.25385418
-0.00505841 0.30872898 0.21017318
0.05203699 0.22429128 0.16090001
0.15393021 0.22605653 0.17500310
0.04049192 0.39653477 0.27142740
0.14206258 0.39869786 0.28283988
0.20192329 0.31289555 0.23685455
0.31448201 0.31754439 0.25356981
0.33998384 0.41745722 0.17610415
0.40720313 0.50708118 0.20190996
0.43518093 0.59091521 0.12970191
0.29987747 0.41607191 0.07366150
0.32764949 0.49727291 0.00014104
0.39588647 0.58494422 0.02839653
0.50477629 0.72168642 -0.03053902
0.50051711 0.85644434 -0.03089365
0.58840411 0.91383279 -0.01576809
0.59482002 0.64403881 -0.01685722
0.68171601 0.70281780 -0.00151470
0.67872738 0.83716623 -0.00023303
0.35182595 0.34794354 0.36260923
0.36935870 0.18561779 0.23763400
0.14247195 0.84914534 0.97277222
0.04778337 0.67500326 -0.04513933
0.98507953 0.79622960 0.90984630
0.88765662 0.81163680 0.86365633
0.84676785 0.93800499 0.82840688
0.71590334 0.87429851 0.71513311
0.62530467 0.82594879 0.71867216
0.59109609 0.73658586 0.65082353
0.64889461 0.69806106 0.58062694
0.63654463 0.60275795 0.50254483
0.78485577 0.69304648 0.49739298
0.73776342 0.75032801 0.57742212
0.77343952 0.83756442 0.64336083
0.90206523 0.04392655 0.83989272
0.00116513 0.02529638 0.88631205
0.04162077 0.90023188 0.92065626
0.82693684 0.20966335 0.35265641
0.74405317 0.34507287 0.46897054
0.75925194 0.68701865 0.27977045
0.84206504 0.55158378 0.16519480
0.19535919 0.15601909 0.13654724
0.01642818 0.15543653 0.11339575
-0.00145390 0.46249873 0.31199204
0.17477258 0.46894246 0.33111292
0.48732159 0.65991206 0.15287326
0.43980141 0.51349510 0.28011211
0.24584129 0.34984212 0.04992993
0.29735088 0.49322705 0.92087840
0.58556706 0.01899993 -0.01509368
0.42866786 0.91350870 -0.04148782
0.59534834 0.53926103 0.98279248
0.75204513 0.64267277 0.00892564
0.43251246 0.34001892 0.37886059
0.32787852 0.27770788 0.41474489
0.32501997 0.44523165 0.37948539
0.44904879 0.19211086 0.25287043
0.35097103 0.15829126 0.16018153
0.35238338 0.10821390 0.28884275
0.84503469 0.72915121 0.85503702
0.58335781 0.85682376 0.77613118
0.52222456 0.69595964 0.65558260
0.84351167 0.87493910 0.63982992
0.86721588 0.14025137 0.81011569
0.04541044 0.10652628 0.89320147
0.19936992 0.65350588 0.02404825
0.74720737 0.88193082 0.01302540
0.89422124 0.29869386 0.19645807
0.41716690 0.66576880 0.95170783
0.21466734 0.90688682 0.99572709
0.02561427 0.56419860 -0.04031585
0.74863886 0.96191716 0.78313615
0.57052145 0.53467181 0.48037845
0.86277277 0.71480934 0.47267358
0.13924747 0.71573963 0.99184347
0.72070716 0.60513813 0.45505088
No title
1
13.796824 0.584334 -1.140025
0.590102 10.383860 0.287569
-1.174722 0.482439 13.474514
C H O N
43 30 7 2
Direct configuration= 376
0.74875171 0.52390679 0.38130262
0.76386467 0.38938098 0.40113278
0.80973158 0.31373839 0.33699276
0.77287121 0.58206304 0.29423239
0.81841181 0.50661564 0.23021328
0.83975730 0.37351877 0.25394631
-0.00512285 0.30849045 0.21027979
0.05183795 0.22380715 0.16103293
0.15388710 0.22552433 0.17515398
0.04062875 0.39631930 0.27156761
0.14232428 0.39836429 0.28298876
0.20207140 0.31245265 0.23696114
0.31458228 0.31709975 0.25360456
0.34009342 0.41713339 0.17611098
0.40748816 0.50678475 0.20196827
0.43543833 0.59060808 0.12982047
0.29978730 0.41596074 0.07362397
0.32751869 0.49713190 0.00018224
0.39580756 0.58488912 0.02839078
0.50467073 0.72201158 -0.03067248
0.50028452 0.85663932 -0.03105720
0.58816092 0.91430626 -0.01590001
0.59467874 0.64447001 -0.01713142
0.68157815 0.70342168 -0.00180326
0.67866423 0.83782459 -0.00041511
0.35212943 0.34749539 0.36267871
0.36939595 0.18523853 0.23753285
0.14260036 0.84957924 0.97321614
0.04800666 0.67532548 -0.04523776
0.98520711 0.79650191 0.90987424
0.88769390 0.81174859 0.86352080
0.84679143 0.93831645 0.82857193
0.71579799 0.87448621 0.71501248
0.62519069 0.82615426 0.71845653
0.59093265 0.73675463 0.65060013
0.64877773 0.69816915 0.58043983
0.63645500 0.60273211 0.50228039
0.78477769 0.69305164 0.49736141
0.73762604 0.75049186 0.57731508
0.77333001 0.83787825 0.64323325
0.90203685 0.04429882 0.84031684
0.00110501 0.02592641 0.88683783
0.04173335 0.90066203 0.92102823
0.82671493 0.20942997 0.35282790
0.74378849 0.34511662 0.46886209
0.75941053 0.68684285 0.27965849
0.84226790 0.55120199 0.16513422
0.19519251 0.15555897 0.13674253
0.01626831 0.15484569 0.11355140
-0.00128055 0.46230396 0.31200494
0.17495214 0.46879584 0.33110912
0.48771043 0.65956283 0.15299385
0.44026937 0.51293743 0.28019747
0.24549770 0.34971438 0.04978800
0.29689681 0.49338055 0.92074736
0.58537606 0.01940930 -0.01522124
0.42842348 0.91360557 -0.04150700
0.59525901 0.53962720 0.98254787
0.75203018 0.64344671 0.00864043
0.43290041 0.33960491 0.37900285
0.32821288 0.27726759 0.41489070
0.32536969 0.44496288 0.37977613
0.44912741 0.19176510 0.25282234
0.35090935 0.15810351 0.15997784
0.35240780 0.10776747 0.28862929
0.84517981 0.72916158 0.85457523
0.58315647 0.85708232 0.77589286
0.52199246 0.69605924 0.65519912
0.84352737 0.87529173 0.63976186
0.86713182 0.14066829 0.81079312
0.04535625 0.10713713 0.89384544
0.19961636 0.65388151 0.02396034
0.74709000 0.88265742 0.01276353
0.89415667 0.29807908 0.19671182
0.41698894 0.66582719 0.95165003
0.21489294 0.90748544 0.99646735
0.02583362 0.56447651 -0.04094084
0.74855056 0.96207382 0.78317873
0.57029652 0.53446141 0.48010646
0.86297741 0.71470948 0.47277378
0.13950286 0.71605973 0.99187397
0.72073563 0.60528493 0.45490265
No title
1
13.791664 0.577286 -1.146835
0.584370 10.381060 0.285354
-1.181864 0.480742 13.465372
C H O N
43 30 7 2
Direct configuration= 377
0.74856812 0.52369863 0.38113984
0.76366728 0.38903831 0.40120586
0.80958178 0.31335790 0.33714549
0.77295072 0.58172236 0.29419014
0.81846386 0.50617039 0.23037650
0.83970314 0.37296756 0.25405329
-0.00519779 0.30821324 0.21040364
0.05160650 0.22324446 0.16118725
0.15383686 0.22490588 0.17532926
0.04078776 0.39606902 0.27173064
0.14262836 0.39797685 0.28316191
0.20224341 0.31193808 0.23708503
0.31469864 0.31658313 0.25364493
0.34022065 0.41675715 0.17611893
0.40781933 0.50644047 0.20203615
0.43573742 0.59025137 0.12995836
0.29968244 0.41583150 0.07358027
0.32736664 0.49696797 0.00023004
0.39571582 0.58482504 0.02838404
0.50454811 0.72238935 -0.03082763
0.50001420 0.85686572 -0.03124740
0.58787839 0.91485629 -0.01605340
0.59451458 0.64497097 -0.01745018
0.68141803 0.70412330 -0.00213868
0.67859101 0.83858957 -0.00062668
0.35248198 0.34697481 0.36275955
0.36943904 0.18479783 0.23741520
0.14275004 0.85008358 0.97373236
0.04826624 0.67570005 -0.04535201
0.98535551 0.79681843 0.90990684
0.88773719 0.81187851 0.86336328
0.84681906 0.93867840 0.82876386
0.71567558 0.87470425 0.71487223
0.62505819 0.82639293 0.71820584
0.59074264 0.73695061 0.65034037
0.64864182 0.69829466 0.58022227
0.63635068 0.60270199 0.50197291
0.78468692 0.69305759 0.49732467
0.73746638 0.75068216 0.57719061
0.77320281 0.83824286 0.64308494
0.90200427 0.04473142 0.84080994
0.00103571 0.02665854 0.88744915
0.04186459 0.90116198 0.92146080
0.82645703 0.20915864 0.35302709
0.74348084 0.34516729 0.46873590
0.75959471 0.68663865 0.27952837
0.84250347 0.55075846 0.16506384
0.19499872 0.15502420 0.13696937
0.01608234 0.15415904 0.11373216
-0.00107916 0.46207774 0.31201999
0.17516076 0.46862558 0.33110477
0.48816227 0.65915727 0.15313417
0.44081305 0.51228970 0.28029683
0.24509826 0.34956570 0.04962281
0.29636908 0.49355863 0.92059482
0.58515419 0.01988487 -0.01536955
0.42813950 0.91371798 -0.04152941
0.59515520 0.54005263 0.98226353
0.75201298 0.64434602 0.00830901
0.43335119 0.33912407 0.37916835
0.32860137 0.27675617 0.41506030
0.32577619 0.44465081 0.38011426
0.44921862 0.19136335 0.25276641
0.35083746 0.15788528 0.15974097
0.35243586 0.10724869 0.28838106
0.84534820 0.72917367 0.85403847
0.58292244 0.85738264 0.77561574
0.52172253 0.69617480 0.65475321
0.84354573 0.87570150 0.63968282
0.86703469 0.14115278 0.81158068
0.04529390 0.10784699 0.89459416
0.19990287 0.65431817 0.02385835
0.74695374 0.88350167 0.01245918
0.89408152 0.29736467 0.19700667
0.41678210 0.66589492 0.95158275
0.21515580 0.90818127 0.99732815
0.02608830 0.56479953 -0.04166724
0.74844804 0.96225582 0.78322823
0.57003486 0.53421676 0.47979011
0.86321526 0.71459357 0.47289035
0.13979981 0.71643187 0.99190962
0.72076868 0.60545551 0.45473039
No title
1
13.786479 0.571470 -1.152348
0.579578 10.379046 0.283371
-1.187535 0.479139 13.458187
C H O N
43 30 7 2
Direct configuration= 378
0.74841478 0.52348529 0.38106262
0.76351375 0.38889048 0.40123096
0.80944364 0.31308870 0.33723893
0.77296645 0.58154121 0.29419059
0.81854268 0.50579292 0.23041232
0.83972925 0.37255642 0.25414108
-0.00520331 0.30796511 0.21050954
0.05147279 0.22285984 0.16135372
0.15371983 0.22448045 0.17549193
0.04097597 0.39584297 0.27185030
0.14284016 0.39762050 0.28328022
0.20237491 0.31153089 0.23716585
0.31477553 0.31620839 0.25362538
0.34029832 0.41651461 0.17610071
0.40806866 0.50613364 0.20211018
0.43592681 0.59001270 0.12997434
0.29957744 0.41559625 0.07357808
0.32723509 0.49691664 0.00017695
0.39568377 0.58476251 0.02838288
0.50440767 0.72263411 -0.03095206
0.49980003 0.85711879 -0.03138585
0.58766332 0.91524760 -0.01615531
0.59437198 0.64535186 -0.01767100
0.68135775 0.70460658 -0.00239285
0.67848690 0.83919961 -0.00078228
0.35275928 0.34659776 0.36285375
0.36945790 0.18446803 0.23730671
0.14300101 0.85052884 0.97416561
0.04846857 0.67607413 -0.04544537
0.98546130 0.79702157 0.90993181
0.88779893 0.81206535 0.86325556
0.84679561 0.93891533 0.82888043
0.71559589 0.87485656 0.71474841
0.62491920 0.82660143 0.71800792
0.59059744 0.73706217 0.65015130
0.64850767 0.69839738 0.58006293
0.63623278 0.60266956 0.50172642
0.78477155 0.69322062 0.49730479
0.73734234 0.75077643 0.57708855
0.77311731 0.83856615 0.64296436
0.90195129 0.04513642 0.84116284
0.00098195 0.02712245 0.88788823
0.04193519 0.90162058 0.92181366
0.82625794 0.20890342 0.35319392
0.74323576 0.34516670 0.46867335
0.75974598 0.68644636 0.27940540
0.84267449 0.55039628 0.16500453
0.19489101 0.15459579 0.13715684
0.01591015 0.15361800 0.11385103
-0.00095680 0.46195944 0.31204616
0.17535118 0.46851113 0.33111961
0.48849572 0.65884206 0.15322728
0.44124897 0.51179930 0.28042312
0.24482792 0.34948460 0.04952353
0.29599960 0.49369531 0.92054896
0.58498930 0.02025585 -0.01547976
0.42794526 0.91378496 -0.04154296
0.59509796 0.54039224 0.98204542
0.75200034 0.64502902 0.00805830
0.43368453 0.33876099 0.37927107
0.32889115 0.27638095 0.41518038
0.32609640 0.44435923 0.38034375
0.44928811 0.19104220 0.25273012
0.35077833 0.15770001 0.15957529
0.35245190 0.10683754 0.28819606
0.84544612 0.72918422 0.85362975
0.58277514 0.85758728 0.77538164
0.52152345 0.69629339 0.65439919
0.84354900 0.87602217 0.63962605
0.86696623 0.14144220 0.81220535
0.04524163 0.10841896 0.89519305
0.20013399 0.65461548 0.02378073
0.74687665 0.88418532 0.01222651
0.89398493 0.29679656 0.19718642
0.41662100 0.66592659 0.95156277
0.21528458 0.90871055 0.99796564
0.02628025 0.56495377 -0.04220910
0.74840242 0.96238510 0.78328602
0.56991011 0.53410601 0.47958497
0.86328494 0.71444244 0.47299355
0.13998636 0.71674562 0.99192356
0.72073497 0.60548619 0.45456443
No title
1
13.778486 0.562505 -1.160846
0.572191 10.375941 0.280313
-1.196277 0.476666 13.447110
C H O N
43 30 7 2
Direct configuration= 379
0.74817812 0.52315620 0.38094334
0.76327689 0.38866242 0.40126954
0.80923050 0.31267352 0.33738290
0.77299062 0.58126190 0.29419124
0.81866406 0.50521096 0.23046752
0.83976935 0.37192252 0.25427641
-0.00521190 0.30758254 0.21067283
0.05126649 0.22226673 0.16161032
0.15353922 0.22382443 0.17574266
0.04126620 0.39549460 0.27203494
0.14316669 0.39707124 0.28346277
0.20257754 0.31090316 0.23729049
0.31489388 0.31563064 0.25359519
0.34041797 0.41614069 0.17607259
0.40845306 0.50566074 0.20222444
0.43621878 0.58964486 0.12999904
0.29941538 0.41523345 0.07357457
0.32703215 0.49683739 0.00009496
0.39563430 0.58466605 0.02838106
0.50419114 0.72301136 -0.03114401
0.49946976 0.85750878 -0.03159948
0.58733178 0.91585078 -0.01631253
0.59415211 0.64593900 -0.01801161
0.68126487 0.70535166 -0.00278483
0.67832656 0.84014011 -0.00102222
0.35318681 0.34601662 0.36299913
0.36948674 0.18395951 0.23713930
0.14338862 0.85121566 0.97483418
0.04878075 0.67665107 -0.04558914
0.98562458 0.79733488 0.90997045
0.88789418 0.81235348 0.86308948
0.84675966 0.93928066 0.82906028
0.71547299 0.87509132 0.71455740
0.62470483 0.82692277 0.71770260
0.59037343 0.73723403 0.64985958
0.64830071 0.69855563 0.57981710
0.63605075 0.60261942 0.50134613
0.78490214 0.69347206 0.49727424
0.73715102 0.75092166 0.57693105
0.77298555 0.83906453 0.64277839
0.90187004 0.04576089 0.84170726
0.00089960 0.02783777 0.88856562
0.04204458 0.90232779 0.92235813
0.82595088 0.20850975 0.35345105
0.74285773 0.34516558 0.46857671
0.75997908 0.68614996 0.27921577
0.84293799 0.54983796 0.16491305
0.19472479 0.15393517 0.13744581
0.01564437 0.15278366 0.11403412
-0.00076814 0.46177715 0.31208658
0.17564481 0.46833482 0.33114259
0.48900987 0.65835633 0.15337105
0.44192107 0.51104352 0.28061809
0.24441088 0.34935932 0.04937019
0.29542982 0.49390576 0.92047802
0.58473513 0.02082770 -0.01564978
0.42764573 0.91388807 -0.04156397
0.59500972 0.54091579 0.98170903
0.75198105 0.64608208 0.00767174
0.43419849 0.33820146 0.37942965
0.32933793 0.27580267 0.41536570
0.32659024 0.44390995 0.38069788
0.44939510 0.19054708 0.25267410
0.35068691 0.15741429 0.15931965
0.35247629 0.10620358 0.28791060
0.84559686 0.72920049 0.85299936
0.58254790 0.85790266 0.77502048
0.52121622 0.69647602 0.65385301
0.84355418 0.87651659 0.63953858
0.86686123 0.14188851 0.81316894
0.04516175 0.10930094 0.89611697
0.20049055 0.65507407 0.02366123
0.74675796 0.88523932 0.01186776
0.89383580 0.29592056 0.19746347
0.41637254 0.66597529 0.95153186
0.21548393 0.90952683 0.99894920
0.02657600 0.56519167 -0.04304477
0.74833217 0.96258442 0.78337516
0.56971752 0.53393513 0.47926843
0.86339238 0.71420949 0.47315272
0.14027425 0.71722954 0.99194528
0.72068287 0.60553345 0.45430843
No title
1
13.773171 0.556324 -1.166445
0.567107 10.373728 0.278117
-1.201979 0.474799 13.440453
C H O N
43 30 7 2
Direct configuration= 380
0.74805595 0.52302475 0.38092492
0.76314100 0.38864232 0.40117872
0.80906996 0.31247134 0.33744637
0.77300460 0.58104988 0.29413786
0.81878718 0.50491146 0.23035601
0.83981045 0.37160647 0.25440002
-0.00520010 0.30723668 0.21078663
0.05117623 0.22188586 0.16177606
0.15339930 0.22345774 0.17591759
0.04143590 0.39523702 0.27212955
0.14336221 0.39671431 0.28356106
0.20261920 0.31054268 0.23736571
0.31502341 0.31533064 0.25355860
0.34047241 0.41591835 0.17608681
0.40868070 0.50531290 0.20228639
0.43636769 0.58945865 0.12997669
0.29930495 0.41495804 0.07350440
0.32684733 0.49681220 0.00000450
0.39564549 0.58456964 0.02835707
0.50395078 0.72316999 -0.03127343
0.49930279 0.85780829 -0.03169860
0.58718178 0.91619260 -0.01639553
0.59409515 0.64626424 -0.01817507
0.68122557 0.70588434 -0.00301815
0.67812956 0.84061251 -0.00117955
0.35344926 0.34575913 0.36314321
0.36950790 0.18367470 0.23702826
0.14353519 0.85165630 0.97518528
0.04888836 0.67678753 -0.04574494
0.98574687 0.79767815 0.91001039
0.88797907 0.81259062 0.86300045
0.84670401 0.93946389 0.82913346
0.71543473 0.87530387 0.71446563
0.62451585 0.82712753 0.71750366
0.59022145 0.73728837 0.64965939
0.64812866 0.69858751 0.57961850
0.63597001 0.60266989 0.50115337
0.78490083 0.69363968 0.49728680
0.73713285 0.75107195 0.57684017
0.77293076 0.83936431 0.64263181
0.90178497 0.04605980 0.84205343
0.00093621 0.02814887 0.88899163
0.04207550 0.90275192 0.92272548
0.82575770 0.20819002 0.35363295
0.74259191 0.34506095 0.46863676
0.76012938 0.68592300 0.27907827
0.84306218 0.54940860 0.16492775
0.19465866 0.15348650 0.13763341
0.01544895 0.15229558 0.11415786
-0.00065535 0.46171623 0.31212616
0.17588788 0.46823138 0.33118516
0.48931215 0.65805270 0.15343561
0.44236020 0.51058959 0.28079493
0.24419326 0.34930393 0.04931515
0.29511511 0.49403039 0.92049370
0.58456858 0.02122939 -0.01574886
0.42743350 0.91397558 -0.04158486
0.59497227 0.54126749 0.98149745
0.75198617 0.64669668 0.00743391
0.43448512 0.33786341 0.37948923
0.32960311 0.27545326 0.41547121
0.32693326 0.44347494 0.38085463
0.44945525 0.19022336 0.25264241
0.35062135 0.15719625 0.15914905
0.35247792 0.10577945 0.28775140
0.84567168 0.72927133 0.85261907
0.58244197 0.85807899 0.77478605
0.52101569 0.69661630 0.65350756
0.84351754 0.87682544 0.63949055
0.86675232 0.14219520 0.81374508
0.04509698 0.10987107 0.89672505
0.20071878 0.65530332 0.02358743
0.74672088 0.88595777 0.01165143
0.89378257 0.29539058 0.19757764
0.41621709 0.66600890 0.95153410
0.21568118 0.91011931 0.99958982
0.02681191 0.56545048 -0.04352676
0.74831708 0.96270054 0.78343744
0.56964569 0.53386743 0.47908824
0.86354364 0.71409383 0.47322621
0.14047871 0.71760610 0.99198949
0.72050212 0.60541990 0.45415476
No title
1
13.766219 0.548239 -1.173768
0.560457 10.370833 0.275244
-1.209436 0.472356 13.431746
C H O N
43 30 7 2
Direct configuration= 381
0.74789601 0.52285270 0.38090071
0.76296312 0.38861590 0.40105979
0.80885981 0.31220673 0.33752930
0.77302275 0.58077251 0.29406795
0.81894808 0.50451970 0.23021007
0.83986414 0.37119304 0.25456172
-0.00518477 0.30678425 0.21093548
0.05105803 0.22138756 0.16199282
0.15321613 0.22297794 0.17614634
0.04165788 0.39490018 0.27225339
0.14361792 0.39624751 0.28368972
0.20267358 0.31007113 0.23746409
0.31519273 0.31493826 0.25351072
0.34054354 0.41562752 0.17610540
0.40897843 0.50485800 0.20236751
0.43656244 0.58921515 0.12994749
0.29916027 0.41459764 0.07341245
0.32660542 0.49677909 -0.00011401
0.39566008 0.58444350 0.02832565
0.50363625 0.72337732 -0.03144289
0.49908439 0.85819997 -0.03182833
0.58698561 0.91663968 -0.01650416
0.59402068 0.64668966 -0.01838895
0.68117427 0.70658115 -0.00332339
0.67787191 0.84123036 -0.00138544
0.35379264 0.34542248 0.36333185
0.36953538 0.18330209 0.23688289
0.14372740 0.85223294 0.97564497
0.04902915 0.67696612 -0.04594873
0.98590709 0.79812733 0.91006281
0.88809021 0.81290090 0.86288405
0.84663131 0.93970358 0.82922923
0.71538473 0.87558189 0.71434556
0.62426856 0.82739523 0.71724324
0.59002249 0.73735932 0.64939734
0.64790342 0.69862906 0.57935850
0.63586426 0.60273582 0.50090107
0.78489921 0.69385896 0.49730329
0.73710909 0.75126854 0.57672126
0.77285914 0.83975644 0.64244001
0.90167400 0.04645084 0.84250649
0.00098452 0.02855597 0.88954925
0.04211638 0.90330686 0.92320635
0.82550486 0.20777163 0.35387081
0.74224405 0.34492389 0.46871518
0.76032586 0.68562617 0.27889835
0.84322448 0.54884698 0.16494696
0.19457201 0.15289950 0.13787876
0.01519306 0.15165692 0.11431957
-0.00050776 0.46163663 0.31217800
0.17620592 0.46809625 0.33124098
0.48970758 0.65765571 0.15352021
0.44293470 0.50999607 0.28102651
0.24390843 0.34923131 0.04924297
0.29470336 0.49419322 0.92051406
0.58435078 0.02175475 -0.01587852
0.42715582 0.91408992 -0.04161229
0.59492332 0.54172754 0.98122063
0.75199305 0.64750069 0.00712280
0.43486005 0.33742138 0.37956728
0.32994998 0.27499635 0.41560937
0.32738200 0.44290611 0.38105985
0.44953380 0.18979990 0.25260090
0.35053537 0.15691093 0.15892569
0.35247976 0.10522456 0.28754296
0.84576940 0.72936400 0.85212144
0.58230330 0.85830955 0.77447923
0.52075315 0.69679962 0.65305539
0.84346973 0.87722947 0.63942774
0.86661030 0.14259645 0.81449908
0.04501286 0.11061700 0.89752096
0.20101748 0.65560338 0.02349104
0.74667260 0.88689762 0.01136849
0.89371272 0.29469721 0.19772688
0.41601371 0.66605276 0.95153694
0.21593997 0.91089468 0.00042847
0.02712044 0.56578915 -0.04415733
0.74829743 0.96285245 0.78351896
0.56955156 0.53377879 0.47885237
0.86374156 0.71394263 0.47332245
0.14074647 0.71809890 0.99204756
0.72026546 0.60527119 0.45395351
No title
1
13.760342 0.541157 -1.179783
0.554636 10.368954 0.272888
-1.215555 0.470416 13.424692
C H O N
43 30 7 2
Direct configuration= 382
0.74780898 0.52285241 0.38081715
0.76276827 0.38850313 0.40105831
0.80870573 0.31195479 0.33756445
0.77309119 0.58043151 0.29389432
0.81903219 0.50421280 0.23018257
0.83991117 0.37092847 0.25466093
-0.00520113 0.30632859 0.21108496
0.05092992 0.22087892 0.16211724
0.15316607 0.22250709 0.17628670
0.04174087 0.39463288 0.27236422
0.14382761 0.39597418 0.28383438
0.20270506 0.30973344 0.23756281
0.31535765 0.31466603 0.25352738
0.34057726 0.41535195 0.17611684
0.40925243 0.50451079 0.20243049
0.43670942 0.58899081 0.12998446
0.29911301 0.41443612 0.07327784
0.32638132 0.49670346 -0.00009796
0.39565937 0.58426925 0.02827299
0.50343671 0.72356170 -0.03156442
0.49889824 0.85841814 -0.03190447
0.58682976 0.91707388 -0.01659495
0.59395871 0.64708394 -0.01854195
0.68111428 0.70713097 -0.00355745
0.67777834 0.84175245 -0.00153513
0.35408103 0.34509444 0.36346306
0.36955789 0.18299166 0.23678455
0.14387253 0.85277922 0.97600829
0.04917550 0.67733824 -0.04618746
0.98599859 0.79853974 0.91011791
0.88817672 0.81311028 0.86279444
0.84660703 0.93991293 0.82930563
0.71530246 0.87584462 0.71425206
0.62412460 0.82760619 0.71697993
0.58985622 0.73739259 0.64913250
0.64779180 0.69869467 0.57913099
0.63579274 0.60281979 0.50072907
0.78486831 0.69391668 0.49723962
0.73708333 0.75144545 0.57660224
0.77280993 0.84008426 0.64231582
0.90161868 0.04664522 0.84291992
0.00103079 0.02893297 0.88998662
0.04221026 0.90368555 0.92364837
0.82527576 0.20745335 0.35407182
0.74196477 0.34479638 0.46876755
0.76048297 0.68535820 0.27873454
0.84335721 0.54837209 0.16493508
0.19449149 0.15242379 0.13810753
0.01496875 0.15118791 0.11448590
-0.00034086 0.46155824 0.31220459
0.17651677 0.46794478 0.33129000
0.49002429 0.65734190 0.15356613
0.44340306 0.50952249 0.28120609
0.24365564 0.34911310 0.04919301
0.29435825 0.49431614 0.92047786
0.58416898 0.02220408 -0.01597547
0.42688889 0.91423661 -0.04164578
0.59490307 0.54209059 0.98099254
0.75200858 0.64814185 0.00686439
0.43515092 0.33707291 0.37960740
0.33022528 0.27463003 0.41571380
0.32775824 0.44240957 0.38119064
0.44960235 0.18943830 0.25256608
0.35045728 0.15663535 0.15871869
0.35246976 0.10477115 0.28737429
0.84586700 0.72954796 0.85173440
0.58218381 0.85850631 0.77426004
0.52049122 0.69694522 0.65268327
0.84342279 0.87758259 0.63937937
0.86644436 0.14298301 0.81508729
0.04492103 0.11120242 0.89820714
0.20125101 0.65584948 0.02340154
0.74655771 0.88766181 0.01112582
0.89370856 0.29418799 0.19783692
0.41580689 0.66609856 0.95151491
0.21612876 0.91154043 0.00110975
0.02735516 0.56584805 -0.04463411
0.74825753 0.96298405 0.78356501
0.56942869 0.53367167 0.47865271
0.86388437 0.71384523 0.47341461
0.14098343 0.71850662 0.99212573
0.72005173 0.60521970 0.45388072
No title
1
13.751689 0.530730 -1.188637
0.546066 10.366190 0.269420
-1.224564 0.467560 13.414307
C H O N
43 30 7 2
Direct configuration= 383
0.74768074 0.52285187 0.38069401
0.76248121 0.38833691 0.40105595
0.80847866 0.31158369 0.33761605
0.77319165 0.57992947 0.29363850
0.81915586 0.50376099 0.23014202
0.83998033 0.37053897 0.25480701
-0.00522542 0.30565770 0.21130500
0.05074100 0.22012992 0.16230027
0.15309214 0.22181380 0.17649327
0.04186301 0.39423942 0.27252746
0.14413637 0.39557196 0.28404752
0.20275127 0.30923628 0.23770814
0.31560040 0.31426535 0.25355196
0.34062674 0.41494624 0.17613362
0.40965579 0.50399983 0.20252333
0.43692578 0.58866064 0.13003896
0.29904320 0.41419824 0.07307949
0.32605121 0.49659189 -0.00007451
0.39565817 0.58401267 0.02819536
0.50314286 0.72383296 -0.03174350
0.49862417 0.85873918 -0.03201667
0.58660042 0.91771302 -0.01672866
0.59386758 0.64766438 -0.01876724
0.68102610 0.70794043 -0.00390209
0.67764076 0.84252105 -0.00175554
0.35450567 0.34461173 0.36365644
0.36959077 0.18253457 0.23663962
0.14408688 0.85358378 0.97654372
0.04939111 0.67788624 -0.04653889
0.98613367 0.79914707 0.91019926
0.88830421 0.81341864 0.86266257
0.84657146 0.94022116 0.82941821
0.71518139 0.87623135 0.71411435
0.62391253 0.82791661 0.71659202
0.58961117 0.73744137 0.64874228
0.64762728 0.69879112 0.57879581
0.63568733 0.60294333 0.50047569
0.78482278 0.69400161 0.49714584
0.73704541 0.75170590 0.57642697
0.77273756 0.84056686 0.64213295
0.90153763 0.04693145 0.84352892
0.00109949 0.02948819 0.89063102
0.04234908 0.90424331 0.92429966
0.82493827 0.20698454 0.35436767
0.74155338 0.34460838 0.46884446
0.76071408 0.68496377 0.27849329
0.84355239 0.54767297 0.16491753
0.19437275 0.15172333 0.13844431
0.01463819 0.15049716 0.11473059
-0.00009509 0.46144297 0.31224383
0.17697455 0.46772205 0.33136237
0.49049059 0.65688016 0.15363391
0.44409269 0.50882566 0.28147079
0.24328321 0.34893880 0.04911919
0.29385000 0.49449679 0.92042434
0.58390144 0.02286548 -0.01611826
0.42649582 0.91445234 -0.04169525
0.59487331 0.54262508 0.98065667
0.75203169 0.64908586 0.00648396
0.43557913 0.33656012 0.37966660
0.33063058 0.27409094 0.41586770
0.32831216 0.44167884 0.38138340
0.44970306 0.18890595 0.25251472
0.35034194 0.15622949 0.15841363
0.35245462 0.10410352 0.28712570
0.84601059 0.72981882 0.85116440
0.58200780 0.85879586 0.77393715
0.52010527 0.69715927 0.65213501
0.84335385 0.87810248 0.63930820
0.86620062 0.14355213 0.81595373
0.04478666 0.11206442 0.89921800
0.20159504 0.65621203 0.02326993
0.74638883 0.88878684 0.01076853
0.89370219 0.29343824 0.19799885
0.41550229 0.66616579 0.95148232
0.21640773 0.91249154 0.00211362
0.02770056 0.56593489 -0.04533624
0.74819888 0.96317779 0.78363284
0.56924751 0.53351379 0.47835849
0.86409471 0.71370197 0.47355044
0.14133276 0.71910719 0.99224118
0.71973687 0.60514368 0.45377333
No title
1
13.744721 0.522780 -1.195335
0.539534 10.364433 0.267121
-1.231360 0.465840 13.406443
C H O N
43 30 7 2
Direct configuration= 384
0.74763310 0.52275807 0.38052973
0.76220756 0.38813608 0.40116724
0.80833220 0.31128124 0.33767067
0.77325436 0.57966343 0.29342316
0.81922327 0.50330556 0.23021192
0.84002047 0.37018171 0.25485394
-0.00523349 0.30509132 0.21151219
0.05065640 0.21950268 0.16243608
0.15309356 0.22122247 0.17659782
0.04191925 0.39393485 0.27266699
0.14423789 0.39541158 0.28421316
0.20286104 0.30890891 0.23785397
0.31573033 0.31394838 0.25365615
0.34071624 0.41466612 0.17610031
0.40996953 0.50362562 0.20263710
0.43710087 0.58836354 0.13012216
0.29898202 0.41401467 0.07307715
0.32583642 0.49656325 -0.00009533
0.39563508 0.58375998 0.02820824
0.50308934 0.72407783 -0.03182600
0.49837079 0.85888806 -0.03206386
0.58643418 0.91820471 -0.01683581
0.59371415 0.64813105 -0.01893700
0.68098614 0.70847301 -0.00411861
0.67766441 0.84324345 -0.00191293
0.35485022 0.34403920 0.36369969
0.36959244 0.18215347 0.23653809
0.14435914 0.85423278 0.97702386
0.04960599 0.67815293 -0.04681605
0.98617880 0.79945785 0.91028977
0.88835196 0.81365067 0.86254376
0.84660654 0.94037316 0.82953641
0.71504416 0.87651798 0.71394328
0.62380757 0.82811337 0.71627615
0.58945353 0.73751179 0.64836643
0.64762010 0.69898855 0.57860235
0.63545117 0.60288557 0.50029353
0.78484233 0.69392445 0.49697891
0.73696427 0.75191815 0.57625039
0.77264339 0.84092627 0.64208741
0.90153387 0.04727191 0.84399013
0.00111707 0.02994876 0.89112866
0.04254096 0.90475047 0.92478274
0.82464611 0.20674957 0.35456873
0.74126424 0.34449666 0.46882331
0.76088832 0.68457976 0.27828003
0.84371483 0.54717263 0.16482225
0.19429220 0.15115627 0.13870008
0.01433387 0.14996501 0.11490754
0.00014650 0.46132438 0.31225401
0.17739177 0.46752041 0.33143639
0.49083839 0.65656492 0.15366093
0.44457968 0.50832341 0.28158386
0.24299573 0.34875100 0.04906178
0.29344011 0.49460513 0.92030098
0.58369752 0.02338928 -0.01621005
0.42619680 0.91464616 -0.04173912
0.59487624 0.54301717 0.98040743
0.75202766 0.64980034 0.00618568
0.43591975 0.33619473 0.37970525
0.33092374 0.27368316 0.41597556
0.32870420 0.44125128 0.38151384
0.44979759 0.18848962 0.25247282
0.35025507 0.15589070 0.15818388
0.35242838 0.10364427 0.28693056
0.84614010 0.73011676 0.85076822
0.58186955 0.85901589 0.77371730
0.51974247 0.69728546 0.65172016
0.84334352 0.87855363 0.63925952
0.86601500 0.14389069 0.81660900
0.04466844 0.11266995 0.90001734
0.20182741 0.65652883 0.02315279
0.74617080 0.88960899 0.01049309
0.89367064 0.29303438 0.19815235
0.41521639 0.66621995 0.95139561
0.21650794 0.91318469 0.00282018
0.02799960 0.56619283 -0.04584471
0.74810644 0.96338620 0.78366774
0.56906943 0.53339867 0.47815164
0.86409907 0.71359322 0.47368195
0.14153186 0.71956348 0.99230756
0.71971034 0.60528773 0.45369767
No title
1
13.739535 0.516863 -1.200319
0.534673 10.363125 0.265410
-1.236418 0.464560 13.400590
C H O N
43 30 7 2
Direct configuration= 385
0.74759753 0.52268822 0.38040735
0.76200377 0.38798645 0.40124998
0.80822306 0.31105605 0.33771125
0.77330088 0.57946542 0.29326278
0.81927332 0.50296661 0.23026393
0.84005025 0.36991581 0.25488884
-0.00523963 0.30466975 0.21166638
0.05059324 0.21903577 0.16253708
0.15309445 0.22078233 0.17667559
0.04196108 0.39370819 0.27277087
0.14431349 0.39529227 0.28433653
0.20294272 0.30866531 0.23796257
0.31582701 0.31371254 0.25373374
0.34078277 0.41445766 0.17607549
0.41020305 0.50334726 0.20272189
0.43723118 0.58814250 0.13018415
0.29893639 0.41387800 0.07307536
0.32567645 0.49654181 -0.00011092
0.39561780 0.58357188 0.02821777
0.50304955 0.72426005 -0.03188742
0.49818215 0.85899873 -0.03209907
0.58631053 0.91857059 -0.01691559
0.59360001 0.64847832 -0.01906340
0.68095649 0.70886940 -0.00427979
0.67768223 0.84378115 -0.00203001
0.35510660 0.34361323 0.36373194
0.36959351 0.18186980 0.23646242
0.14456229 0.85471604 0.97738163
0.04976598 0.67835153 -0.04702232
0.98621256 0.79968921 0.91035724
0.88838755 0.81382339 0.86245534
0.84663277 0.94048633 0.82962446
0.71494200 0.87673125 0.71381586
0.62372935 0.82825974 0.71604090
0.58933601 0.73756409 0.64808649
0.64761475 0.69913548 0.57845831
0.63527522 0.60284243 0.50015778
0.78485679 0.69386702 0.49685460
0.73690385 0.75207607 0.57611889
0.77257338 0.84119373 0.64205352
0.90153138 0.04752537 0.84433365
0.00113053 0.03029162 0.89149934
0.04268422 0.90512811 0.92514264
0.82442855 0.20657453 0.35471830
0.74104889 0.34441335 0.46880743
0.76101784 0.68429401 0.27812123
0.84383557 0.54680029 0.16475128
0.19423212 0.15073417 0.13889044
0.01410715 0.14956876 0.11503911
0.00032635 0.46123624 0.31226166
0.17770240 0.46737055 0.33149165
0.49109726 0.65633047 0.15368113
0.44494216 0.50794983 0.28166817
0.24278157 0.34861106 0.04901889
0.29313488 0.49468554 0.92020897
0.58354583 0.02377904 -0.01627841
0.42597419 0.91479027 -0.04177188
0.59487847 0.54330899 0.98022188
0.75202480 0.65033213 0.00596366
0.43617327 0.33592295 0.37973411
0.33114193 0.27337980 0.41605595
0.32899601 0.44093326 0.38161106
0.44986781 0.18817978 0.25244158
0.35019017 0.15563846 0.15801270
0.35240859 0.10330240 0.28678515
0.84623649 0.73033855 0.85047328
0.58176660 0.85917957 0.77355356
0.51947220 0.69737917 0.65141109
0.84333597 0.87888942 0.63922334
0.86587717 0.14414265 0.81709697
0.04458095 0.11312068 0.90061266
0.20200050 0.65676474 0.02306569
0.74600865 0.89022081 0.01028801
0.89364707 0.29273378 0.19826659
0.41500349 0.66626010 0.95133093
0.21658310 0.91370073 0.00334651
0.02822217 0.56638494 -0.04622321
0.74803769 0.96354128 0.78369372
0.56893671 0.53331287 0.47799751
0.86410234 0.71351228 0.47377987
0.14168030 0.71990322 0.99235715
0.71969061 0.60539494 0.45364135
No title
1
13.733538 0.509249 -1.207318
0.528428 10.361908 0.263361
-1.243644 0.463188 13.392191
C H O N
43 30 7 2
Direct configuration= 386
0.74756871 0.52241389 0.38028944
0.76176264 0.38780830 0.40120907
0.80803013 0.31085251 0.33786027
0.77331490 0.57923871 0.29314493
0.81940065 0.50246392 0.23020717
0.84001958 0.36935677 0.25499768
-0.00516497 0.30401695 0.21192272
0.05057962 0.21838285 0.16275813
0.15310098 0.22025081 0.17685312
0.04205331 0.39331917 0.27291578
0.14436002 0.39511059 0.28442863
0.20302131 0.30835007 0.23814170
0.31590923 0.31326827 0.25382511
0.34098671 0.41415052 0.17612116
0.41051807 0.50294782 0.20283568
0.43748279 0.58779013 0.13030780
0.29874560 0.41359416 0.07316440
0.32543659 0.49649528 -0.00024970
0.39559840 0.58338708 0.02827376
0.50291445 0.72450643 -0.03195002
0.49794824 0.85928752 -0.03210132
0.58614977 0.91900753 -0.01703311
0.59351865 0.64887856 -0.01923110
0.68092405 0.70956594 -0.00446052
0.67754654 0.84449013 -0.00224406
0.35546734 0.34298718 0.36373754
0.36958043 0.18144936 0.23632258
0.14468194 0.85518729 0.97789019
0.05007167 0.67868613 -0.04728977
0.98635202 0.79997914 0.91051340
0.88844750 0.81412087 0.86233646
0.84667390 0.94072393 0.82975939
0.71479924 0.87708445 0.71360190
0.62351978 0.82840663 0.71574806
0.58912114 0.73773760 0.64767258
0.64756940 0.69931661 0.57824023
0.63507015 0.60283793 0.50002618
0.78467608 0.69374356 0.49679036
0.73688238 0.75239656 0.57590246
0.77249770 0.84152376 0.64198419
0.90152329 0.04800609 0.84479938
0.00115622 0.03080116 0.89211979
0.04283668 0.90568283 0.92557764
0.82408308 0.20640605 0.35490508
0.74072321 0.34427674 0.46879640
0.76119701 0.68387786 0.27782766
0.84399417 0.54622505 0.16465306
0.19420778 0.14998916 0.13911388
0.01369870 0.14891547 0.11518448
0.00059677 0.46110931 0.31227926
0.17821838 0.46715973 0.33161437
0.49146505 0.65602455 0.15368764
0.44544492 0.50743661 0.28173021
0.24251049 0.34839748 0.04897586
0.29267288 0.49476784 0.92002503
0.58331453 0.02436451 -0.01636179
0.42568703 0.91497323 -0.04181714
0.59488856 0.54376311 0.97995707
0.75200723 0.65108149 0.00563009
0.43660077 0.33553109 0.37977976
0.33144616 0.27289568 0.41617662
0.32942474 0.44050315 0.38172089
0.44996962 0.18771551 0.25238744
0.35010104 0.15525743 0.15779551
0.35235707 0.10284286 0.28658071
0.84634136 0.73064412 0.85006505
0.58165032 0.85938442 0.77327483
0.51908395 0.69749886 0.65094247
0.84333729 0.87943195 0.63918926
0.86569409 0.14438169 0.81781444
0.04446256 0.11376491 0.90151885
0.20219976 0.65719819 0.02290996
0.74585724 0.89119248 0.01001812
0.89355201 0.29242233 0.19842759
0.41474232 0.66631667 0.95123859
0.21684366 0.91461824 0.00415323
0.02856045 0.56672521 -0.04676745
0.74793720 0.96382478 0.78373374
0.56858590 0.53307429 0.47774904
0.86424403 0.71345782 0.47384677
0.14189083 0.72037714 0.99241571
0.71980133 0.60549007 0.45336550
No title
1
13.730872 0.505863 -1.210429
0.525652 10.361367 0.262450
-1.246857 0.462579 13.388457
C H O N
43 30 7 2
Direct configuration= 387
0.74755580 0.52229190 0.38023695
0.76165534 0.38772901 0.40119079
0.80794431 0.31076196 0.33792650
0.77332105 0.57913792 0.29309248
0.81945717 0.50224045 0.23018191
0.84000585 0.36910820 0.25504604
-0.00513184 0.30372673 0.21203673
0.05057348 0.21809255 0.16285641
0.15310382 0.22001450 0.17693205
0.04209429 0.39314624 0.27298024
0.14438069 0.39502983 0.28446959
0.20305624 0.30820993 0.23822139
0.31594573 0.31307077 0.25386574
0.34107737 0.41401402 0.17614150
0.41065814 0.50277032 0.20288635
0.43759466 0.58763354 0.13036285
0.29866070 0.41346791 0.07320394
0.32532985 0.49647451 -0.00031150
0.39558975 0.58330491 0.02829864
0.50285439 0.72461593 -0.03197788
0.49784426 0.85941584 -0.03210235
0.58607833 0.91920175 -0.01708539
0.59348251 0.64905649 -0.01930569
0.68090972 0.70987562 -0.00454087
0.67748629 0.84480531 -0.00233926
0.35562766 0.34270893 0.36374006
0.36957450 0.18126242 0.23626033
0.14473539 0.85539688 0.97811652
0.05020764 0.67883499 -0.04740866
0.98641415 0.80010810 0.91058293
0.88847419 0.81425316 0.86228361
0.84669228 0.94082959 0.82981945
0.71473576 0.87724144 0.71350670
0.62342652 0.82847186 0.71561773
0.58902550 0.73781466 0.64748840
0.64754921 0.69939713 0.57814322
0.63497890 0.60283586 0.49996758
0.78459566 0.69368861 0.49676173
0.73687284 0.75253904 0.57580619
0.77246409 0.84167048 0.64195336
0.90151991 0.04821985 0.84500662
0.00116792 0.03102774 0.89239587
0.04290472 0.90592953 0.92577125
0.82392943 0.20633105 0.35498807
0.74057832 0.34421589 0.46879141
0.76127654 0.68369287 0.27769706
0.84406456 0.54596933 0.16460936
0.19419685 0.14965791 0.13921322
0.01351693 0.14862488 0.11524900
0.00071703 0.46105297 0.31228715
0.17844787 0.46706615 0.33166908
0.49162857 0.65588865 0.15369060
0.44566845 0.50720857 0.28175789
0.24238986 0.34830243 0.04895663
0.29246736 0.49480429 0.91994310
0.58321175 0.02462475 -0.01639889
0.42555934 0.91505450 -0.04183732
0.59489307 0.54396501 0.97983929
0.75199948 0.65141465 0.00548175
0.43679085 0.33535700 0.37980014
0.33158140 0.27268053 0.41623034
0.32961537 0.44031205 0.38176982
0.45001479 0.18750911 0.25236335
0.35006125 0.15508798 0.15769884
0.35233401 0.10263851 0.28648971
0.84638797 0.73078000 0.84988348
0.58159858 0.85947546 0.77315082
0.51891116 0.69755194 0.65073391
0.84333799 0.87967317 0.63917414
0.86561289 0.14448794 0.81813361
0.04441027 0.11405135 0.90192203
0.20228844 0.65739096 0.02284077
0.74579003 0.89162446 0.00989810
0.89350970 0.29228383 0.19849916
0.41462613 0.66634173 0.95119745
0.21695996 0.91502629 0.00451227
0.02871084 0.56687659 -0.04700946
0.74789258 0.96395080 0.78375154
0.56842975 0.53296810 0.47763839
0.86430706 0.71343366 0.47387656
0.14198459 0.72058792 0.99244186
0.71985053 0.60553240 0.45324281
No title
1
13.724153 0.498351 -1.216398
0.519519 10.360143 0.260887
-1.253008 0.461761 13.380299
C H O N
43 30 7 2
Direct configuration= 388
0.74755923 0.52202438 0.38016089
0.76147287 0.38759021 0.40105679
0.80775076 0.31059159 0.33811588
0.77338036 0.57869368 0.29301953
0.81955594 0.50182402 0.23008773
0.83987687 0.36863320 0.25520623
-0.00503384 0.30314855 0.21230413
0.05052737 0.21745489 0.16310078
0.15316505 0.21959504 0.17717150
0.04222017 0.39273620 0.27311613
0.14454370 0.39482616 0.28449899
0.20302097 0.30790440 0.23836877
0.31602512 0.31256159 0.25384398
0.34128745 0.41359875 0.17630586
0.41094228 0.50242865 0.20294415
0.43790444 0.58730685 0.13046486
0.29842897 0.41331360 0.07319003
0.32506860 0.49626855 -0.00038087
0.39554045 0.58326119 0.02830166
0.50258052 0.72481968 -0.03202410
0.49770025 0.85979861 -0.03206217
0.58586435 0.91965464 -0.01720236
0.59352974 0.64942627 -0.01943525
0.68084515 0.71058694 -0.00467491
0.67724322 0.84537700 -0.00257371
0.35594295 0.34229765 0.36382343
0.36956922 0.18087298 0.23610680
0.14498939 0.85594972 0.97867472
0.05050257 0.67930668 -0.04761042
0.98662032 0.80049593 0.91071498
0.88863425 0.81455639 0.86224088
0.84669386 0.94128109 0.82992588
0.71457606 0.87760606 0.71333926
0.62317665 0.82860825 0.71538916
0.58869005 0.73805686 0.64714429
0.64739843 0.69947209 0.57787512
0.63478056 0.60271851 0.49976523
0.78468469 0.69373707 0.49670752
0.73684516 0.75283458 0.57559522
0.77252391 0.84199178 0.64181226
0.90151950 0.04855129 0.84545069
0.00118228 0.03154887 0.89306508
0.04292001 0.90628130 0.92608893
0.82357578 0.20622945 0.35514483
0.74026031 0.34408925 0.46877470
0.76141747 0.68341855 0.27735276
0.84419934 0.54537468 0.16452662
0.19421423 0.14887729 0.13939515
0.01311127 0.14798459 0.11539005
0.00094643 0.46093503 0.31231856
0.17893411 0.46683443 0.33178697
0.49197089 0.65563075 0.15368829
0.44614408 0.50675519 0.28182203
0.24215710 0.34806302 0.04894879
0.29201385 0.49484490 0.91972179
0.58298778 0.02509980 -0.01646370
0.42533815 0.91518647 -0.04186848
0.59490666 0.54437935 0.97959547
0.75196676 0.65211873 0.00515937
0.43723808 0.33496863 0.37983984
0.33187075 0.27217025 0.41634601
0.33005992 0.43981000 0.38181840
0.45007018 0.18705989 0.25229455
0.34997878 0.15471985 0.15752190
0.35225972 0.10222346 0.28631454
0.84642093 0.73099386 0.84950916
0.58150118 0.85963165 0.77285308
0.51862925 0.69767584 0.65025305
0.84330211 0.88021253 0.63917037
0.86543053 0.14471080 0.81878837
0.04434072 0.11468003 0.90283131
0.20246613 0.65787713 0.02268624
0.74573111 0.89261972 0.00967084
0.89342561 0.29194606 0.19859960
0.41449990 0.66637900 0.95119021
0.21704737 0.91576051 0.00521560
0.02903785 0.56713950 -0.04753222
0.74784100 0.96422527 0.78377744
0.56817743 0.53286788 0.47745428
0.86431792 0.71339068 0.47395474
0.14223647 0.72105305 0.99249431
0.71976929 0.60539323 0.45289871
No title
1
13.721776 0.495695 -1.218509
0.517350 10.359711 0.260334
-1.255184 0.461472 13.377414
C H O N
43 30 7 2
Direct configuration= 389
0.74756038 0.52192975 0.38013395
0.76140825 0.38754108 0.40100933
0.80768228 0.31053128 0.33818286
0.77340126 0.57853656 0.29299370
0.81959080 0.50167674 0.23005439
0.83983118 0.36846515 0.25526288
-0.00499920 0.30294406 0.21239876
0.05051100 0.21722932 0.16318722
0.15318669 0.21944669 0.17725623
0.04226467 0.39259119 0.27316422
0.14460135 0.39475416 0.28450942
0.20300846 0.30779632 0.23842091
0.31605313 0.31238150 0.25383626
0.34136174 0.41345191 0.17636405
0.41104278 0.50230787 0.20296463
0.43801402 0.58719137 0.13050100
0.29834693 0.41325896 0.07318506
0.32497611 0.49619563 -0.00040548
0.39552299 0.58324571 0.02830271
0.50248363 0.72489169 -0.03204049
0.49764936 0.85993396 -0.03204795
0.58578868 0.91981479 -0.01724377
0.59354649 0.64955708 -0.01948107
0.68082239 0.71083853 -0.00472231
0.67715726 0.84557915 -0.00265670
0.35605448 0.34215225 0.36385297
0.36956726 0.18073523 0.23605243
0.14507946 0.85614534 0.97887236
0.05060698 0.67947359 -0.04768175
0.98669336 0.80063316 0.91076177
0.88869093 0.81466368 0.86222580
0.84669451 0.94144079 0.82996357
0.71451958 0.87773500 0.71327999
0.62308821 0.82865643 0.71530823
0.58857133 0.73814244 0.64702247
0.64734504 0.69949857 0.57778022
0.63471031 0.60267695 0.49969357
0.78471620 0.69375423 0.49668835
0.73683538 0.75293910 0.57552057
0.77254510 0.84210545 0.64176235
0.90151950 0.04866853 0.84560788
0.00118757 0.03173322 0.89330195
0.04292553 0.90640573 0.92620139
0.82345065 0.20619342 0.35520025
0.74014776 0.34404438 0.46876873
0.76146724 0.68332155 0.27723091
0.84424693 0.54516438 0.16449733
0.19422028 0.14860118 0.13945950
0.01296764 0.14775801 0.11543986
0.00102760 0.46089338 0.31232970
0.17910616 0.46675259 0.33182876
0.49209198 0.65553961 0.15368752
0.44631233 0.50659494 0.28184479
0.24207470 0.34797828 0.04894596
0.29185334 0.49485915 0.91964339
0.58290859 0.02526777 -0.01648665
0.42525989 0.91523310 -0.04187953
0.59491149 0.54452591 0.97950920
0.75195524 0.65236776 0.00504531
0.43739628 0.33483136 0.37985394
0.33197308 0.27198983 0.41638697
0.33021716 0.43963252 0.38183564
0.45008969 0.18690101 0.25227019
0.34994950 0.15458962 0.15745924
0.35223333 0.10207663 0.28625250
0.84643257 0.73106951 0.84937670
0.58146669 0.85968687 0.77274770
0.51852942 0.69771959 0.65008283
0.84328951 0.88040330 0.63916905
0.86536615 0.14478959 0.81902008
0.04431638 0.11490239 0.90315314
0.20252906 0.65804914 0.02263161
0.74571038 0.89297175 0.00959045
0.89339581 0.29182657 0.19863511
0.41445524 0.66639215 0.95118764
0.21707855 0.91602025 0.00546458
0.02915352 0.56723257 -0.04771717
0.74782280 0.96432234 0.78378662
0.56808810 0.53283236 0.47738908
0.86432177 0.71337549 0.47398241
0.14232569 0.72121764 0.99251294
0.71974046 0.60534399 0.45277691
No title
1
13.715916 0.490148 -1.222518
0.512825 10.359017 0.259589
-1.259326 0.461400 13.370818
C H O N
43 30 7 2
Direct configuration= 390
0.74756500 0.52180357 0.38006945
0.76122956 0.38739510 0.40106997
0.80757642 0.31028440 0.33826270
0.77352498 0.57816564 0.29283437
0.81958905 0.50130347 0.23007348
0.83971183 0.36831776 0.25531157
-0.00500871 0.30255579 0.21259911
0.05043243 0.21666206 0.16336756
0.15320582 0.21894697 0.17736877
0.04243688 0.39235163 0.27332236
0.14485087 0.39464177 0.28456577
0.20304161 0.30751115 0.23848026
0.31615545 0.31199288 0.25378672
0.34142334 0.41305278 0.17642077
0.41126403 0.50202422 0.20301388
0.43825479 0.58698090 0.13042950
0.29821362 0.41324578 0.07317070
0.32479520 0.49601633 -0.00041375
0.39540596 0.58319919 0.02828476
0.50240341 0.72508221 -0.03202385
0.49748959 0.86010663 -0.03201130
0.58558966 0.92029071 -0.01732309
0.59346227 0.64997909 -0.01958057
0.68079080 0.71125480 -0.00481220
0.67710709 0.84616422 -0.00280813
0.35633150 0.34186307 0.36400433
0.36956210 0.18042436 0.23595369
0.14518973 0.85662043 0.97923582
0.05076702 0.67973152 -0.04776746
0.98679629 0.80093069 0.91076426
0.88880585 0.81495177 0.86221660
0.84668710 0.94172492 0.83005753
0.71442492 0.87795953 0.71314219
0.62297282 0.82882807 0.71511952
0.58830190 0.73834035 0.64672869
0.64713541 0.69956117 0.57755065
0.63469297 0.60255629 0.49941695
0.78477033 0.69384270 0.49663560
0.73673146 0.75304094 0.57535753
0.77255354 0.84239110 0.64165065
0.90154166 0.04890893 0.84597358
0.00117870 0.03206518 0.89387927
0.04298537 0.90674887 0.92644932
0.82315903 0.20611127 0.35532291
0.73991397 0.34400502 0.46867011
0.76155326 0.68308976 0.27694063
0.84434865 0.54467887 0.16440554
0.19421289 0.14807700 0.13964709
0.01270265 0.14731114 0.11561213
0.00117541 0.46076484 0.31235482
0.17942963 0.46650541 0.33187716
0.49237595 0.65538916 0.15370250
0.44669204 0.50628343 0.28192896
0.24189302 0.34773830 0.04897042
0.29150784 0.49484133 0.91949105
0.58273730 0.02553811 -0.01652527
0.42513121 0.91532150 -0.04188416
0.59494006 0.54479186 0.97933310
0.75189626 0.65295766 0.00479605
0.43772294 0.33451245 0.37987261
0.33221672 0.27158291 0.41646295
0.33057598 0.43922263 0.38183196
0.45008801 0.18655373 0.25219762
0.34988042 0.15429317 0.15731979
0.35215299 0.10177131 0.28613607
0.84643779 0.73122671 0.84911924
0.58133673 0.85980163 0.77256024
0.51833948 0.69779820 0.64967942
0.84329081 0.88086740 0.63919019
0.86521769 0.14501602 0.81948841
0.04432622 0.11541555 0.90391873
0.20273887 0.65841681 0.02255290
0.74559426 0.89369587 0.00941379
0.89335977 0.29144696 0.19868696
0.41440764 0.66637778 0.95124822
0.21713003 0.91653654 0.00601222
0.02944867 0.56757669 -0.04813889
0.74780651 0.96453958 0.78377341
0.56791154 0.53281018 0.47728280
0.86445607 0.71341389 0.47399787
0.14256547 0.72167576 0.99254689
0.71943294 0.60514670 0.45263311
No title
1
13.712798 0.487198 -1.224650
0.510417 10.358648 0.259193
-1.261529 0.461361 13.367310
C H O N
43 30 7 2
Direct configuration= 391
0.74756742 0.52173644 0.38003512
0.76113444 0.38731739 0.40110221
0.80752005 0.31015303 0.33830517
0.77359072 0.57796834 0.29274957
0.81958806 0.50110489 0.23008363
0.83964830 0.36823931 0.25533746
-0.00501380 0.30234922 0.21270574
0.05039055 0.21636024 0.16346351
0.15321593 0.21868112 0.17742865
0.04252852 0.39222423 0.27340655
0.14498365 0.39458204 0.28459580
0.20305921 0.30735944 0.23851184
0.31620983 0.31178615 0.25376035
0.34145606 0.41284045 0.17645096
0.41138174 0.50187338 0.20304011
0.43838288 0.58686899 0.13039147
0.29814267 0.41323874 0.07316303
0.32469889 0.49592090 -0.00041819
0.39534366 0.58317442 0.02827519
0.50236076 0.72518355 -0.03201500
0.49740459 0.86019844 -0.03199181
0.58548382 0.92054385 -0.01736533
0.59341750 0.65020358 -0.01963353
0.68077405 0.71147625 -0.00486002
0.67708047 0.84647547 -0.00288872
0.35647891 0.34170929 0.36408493
0.36955927 0.18025897 0.23590112
0.14524857 0.85687321 0.97942932
0.05085222 0.67986879 -0.04781304
0.98685113 0.80108901 0.91076561
0.88886705 0.81510507 0.86221174
0.84668322 0.94187607 0.83010756
0.71437456 0.87807897 0.71306883
0.62291141 0.82891936 0.71501907
0.58815849 0.73844557 0.64657228
0.64702381 0.69959443 0.57742842
0.63468366 0.60249209 0.49926971
0.78479915 0.69388979 0.49660753
0.73667614 0.75309510 0.57527073
0.77255806 0.84254308 0.64159122
0.90155357 0.04903682 0.84616825
0.00117415 0.03224177 0.89418657
0.04301732 0.90693143 0.92658131
0.82300383 0.20606749 0.35538814
0.73978952 0.34398402 0.46861757
0.76159895 0.68296648 0.27678612
0.84440268 0.54442060 0.16435669
0.19420889 0.14779812 0.13974692
0.01256157 0.14707333 0.11570375
0.00125406 0.46069649 0.31236820
0.17960175 0.46637400 0.33190297
0.49252706 0.65530919 0.15371051
0.44689410 0.50611781 0.28197382
0.24179629 0.34761058 0.04898339
0.29132393 0.49483175 0.91940990
0.58264617 0.02568189 -0.01654584
0.42506274 0.91536850 -0.04188663
0.59495528 0.54493336 0.97923939
0.75186492 0.65327147 0.00466339
0.43789674 0.33434287 0.37988260
0.33234632 0.27136649 0.41650342
0.33076688 0.43900465 0.38183005
0.45008704 0.18636897 0.25215898
0.34984357 0.15413545 0.15724554
0.35211016 0.10160886 0.28607407
0.84644055 0.73131034 0.84898221
0.58126754 0.85986265 0.77246045
0.51823832 0.69783997 0.64946467
0.84329158 0.88111430 0.63920147
0.86513881 0.14513644 0.81973768
0.04433169 0.11568855 0.90432624
0.20285059 0.65861248 0.02251105
0.74553256 0.89408107 0.00931977
0.89334052 0.29124500 0.19871453
0.41438232 0.66637012 0.95128046
0.21715762 0.91681122 0.00630374
0.02960573 0.56775985 -0.04836329
0.74779788 0.96465514 0.78376638
0.56781755 0.53279834 0.47722620
0.86452756 0.71343435 0.47400613
0.14269317 0.72191955 0.99256502
0.71926922 0.60504167 0.45255650
No title
1
13.706272 0.481126 -1.228501
0.505435 10.358784 0.258354
-1.265563 0.461280 13.359712
C H O N
43 30 7 2
Direct configuration= 392
0.74751437 0.52156271 0.37996575
0.76100186 0.38718174 0.40113604
0.80737744 0.31001635 0.33832494
0.77366694 0.57789024 0.29263226
0.81960322 0.50074350 0.22996149
0.83960374 0.36791727 0.25533392
-0.00501665 0.30198682 0.21290076
0.05030417 0.21579854 0.16371320
0.15309516 0.21803619 0.17750428
0.04277444 0.39200856 0.27358603
0.14524623 0.39437441 0.28463457
0.20322449 0.30694134 0.23848964
0.31637136 0.31141917 0.25379754
0.34151618 0.41255933 0.17640137
0.41160510 0.50151119 0.20304181
0.43858698 0.58661170 0.13029780
0.29796324 0.41306987 0.07320956
0.32452692 0.49589447 -0.00055469
0.39519219 0.58307018 0.02823538
0.50235709 0.72544819 -0.03194307
0.49723437 0.86029890 -0.03195180
0.58535150 0.92086632 -0.01741579
0.59327381 0.65055893 -0.01972611
0.68071241 0.71206747 -0.00497199
0.67703567 0.84712831 -0.00302581
0.35683645 0.34122301 0.36420981
0.36952844 0.17988828 0.23581924
0.14518876 0.85734588 0.97968921
0.05104407 0.68037780 -0.04786256
0.98694179 0.80135089 0.91070476
0.88881264 0.81535696 0.86214684
0.84669082 0.94202699 0.83023632
0.71437679 0.87827048 0.71290870
0.62281512 0.82914164 0.71477692
0.58798188 0.73866096 0.64620524
0.64680512 0.69971348 0.57714517
0.63466391 0.60242727 0.49897435
0.78473919 0.69395516 0.49651078
0.73654079 0.75317999 0.57516305
0.77240434 0.84280139 0.64143662
0.90152650 0.04939617 0.84656359
0.00121338 0.03264854 0.89484501
0.04317500 0.90739098 0.92690133
0.82270513 0.20582480 0.35553546
0.73950628 0.34393056 0.46855062
0.76168759 0.68255622 0.27646846
0.84448143 0.54383805 0.16429009
0.19419251 0.14729719 0.13998485
0.01232009 0.14659935 0.11593878
0.00138987 0.46051969 0.31240772
0.17993724 0.46612904 0.33195462
0.49284222 0.65517812 0.15372829
0.44731324 0.50581998 0.28209055
0.24164002 0.34736986 0.04904991
0.29099000 0.49475100 0.91935717
0.58244502 0.02605822 -0.01658017
0.42491180 0.91547088 -0.04186941
0.59498673 0.54529417 0.97906580
0.75182227 0.65390353 0.00441034
0.43821790 0.33398050 0.37990261
0.33263562 0.27093419 0.41658325
0.33113196 0.43867790 0.38182446
0.45007984 0.18599698 0.25207024
0.34976031 0.15380269 0.15708048
0.35200314 0.10128533 0.28597380
0.84649067 0.73158219 0.84876391
0.58107089 0.85998672 0.77230991
0.51797632 0.69788179 0.64901541
0.84333684 0.88165102 0.63923670
0.86500334 0.14541474 0.82021664
0.04436548 0.11617614 0.90521410
0.20317570 0.65901244 0.02248244
0.74538423 0.89483526 0.00913453
0.89325178 0.29082511 0.19880841
0.41432579 0.66633066 0.95133606
0.21731627 0.91743253 0.00694582
0.02990486 0.56797938 -0.04882273
0.74778344 0.96488890 0.78370224
0.56756585 0.53270816 0.47709902
0.86469322 0.71349224 0.47397799
0.14292529 0.72243131 0.99259120
0.71906898 0.60495762 0.45247610
No title
1
13.704667 0.479633 -1.229449
0.504210 10.358818 0.258147
-1.266555 0.461260 13.357842
C H O N
43 30 7 2
Direct configuration= 393
0.74750129 0.52151996 0.37994866
0.76096922 0.38714834 0.40114435
0.80734232 0.30998270 0.33832979
0.77368568 0.57787104 0.29260338
0.81960691 0.50065459 0.22993142
0.83959274 0.36783804 0.25533304
-0.00501737 0.30189766 0.21294876
0.05028288 0.21566033 0.16377465
0.15306538 0.21787750 0.17752288
0.04283498 0.39195553 0.27363023
0.14531085 0.39432337 0.28464413
0.20326513 0.30683850 0.23848418
0.31641110 0.31132891 0.25380669
0.34153095 0.41249018 0.17638916
0.41166005 0.50142211 0.20304224
0.43863719 0.58654842 0.13027474
0.29791906 0.41302830 0.07322100
0.32448457 0.49588794 -0.00058830
0.39515489 0.58304451 0.02822557
0.50235622 0.72551330 -0.03192536
0.49719248 0.86032359 -0.03194196
0.58531895 0.92094565 -0.01742822
0.59323846 0.65064634 -0.01974891
0.68069728 0.71221292 -0.00499955
0.67702469 0.84728893 -0.00305955
0.35692442 0.34110342 0.36424058
0.36952081 0.17979707 0.23579908
0.14517410 0.85746217 0.97975320
0.05109134 0.68050307 -0.04787472
0.98696413 0.80141533 0.91068979
0.88879927 0.81541892 0.86213086
0.84669271 0.94206412 0.83026802
0.71437734 0.87831760 0.71286929
0.62279141 0.82919632 0.71471731
0.58793839 0.73871393 0.64611486
0.64675127 0.69974274 0.57707542
0.63465902 0.60241132 0.49890163
0.78472443 0.69397124 0.49648695
0.73650747 0.75320086 0.57513654
0.77236651 0.84286492 0.64139856
0.90151990 0.04948457 0.84666092
0.00122314 0.03274862 0.89500712
0.04321388 0.90750406 0.92698013
0.82263159 0.20576505 0.35557170
0.73943655 0.34391737 0.46853412
0.76170934 0.68245530 0.27639025
0.84450076 0.54369474 0.16427368
0.19418845 0.14717394 0.14004342
0.01226063 0.14648271 0.11599661
0.00142329 0.46047621 0.31241746
0.18001981 0.46606881 0.33196736
0.49291979 0.65514592 0.15373268
0.44741639 0.50574676 0.28211931
0.24160153 0.34731061 0.04906627
0.29090779 0.49473109 0.91934416
0.58239553 0.02615078 -0.01658863
0.42487465 0.91549605 -0.04186518
0.59499449 0.54538295 0.97902308
0.75181181 0.65405903 0.00434805
0.43829692 0.33389138 0.37990756
0.33270680 0.27082787 0.41660292
0.33122180 0.43859756 0.38182310
0.45007802 0.18590546 0.25204839
0.34973976 0.15372081 0.15703983
0.35197676 0.10120571 0.28594910
0.84650301 0.73164909 0.84871017
0.58102248 0.86001723 0.77227283
0.51791179 0.69789205 0.64890478
0.84334803 0.88178308 0.63924539
0.86497006 0.14548319 0.82033455
0.04437392 0.11629611 0.90543270
0.20325577 0.65911089 0.02247543
0.74534776 0.89502080 0.00908894
0.89322991 0.29072180 0.19883151
0.41431187 0.66632095 0.95134974
0.21735543 0.91758541 0.00710392
0.02997847 0.56803343 -0.04893582
0.74777990 0.96494641 0.78368646
0.56750387 0.53268594 0.47706768
0.86473400 0.71350651 0.47397108
0.14298248 0.72255725 0.99259768
0.71901967 0.60493692 0.45245628
No title
1
13.697223 0.472362 -1.232951
0.498269 10.358846 0.256986
-1.270200 0.460859 13.350168
C H O N
43 30 7 2
Direct configuration= 394
0.74740040 0.52140350 0.37984638
0.76090479 0.38708322 0.40107891
0.80718459 0.30985298 0.33834335
0.77374155 0.57773983 0.29256507
0.81959750 0.50037922 0.22979595
0.83960570 0.36740903 0.25529549
-0.00495724 0.30161008 0.21313059
0.05014128 0.21520049 0.16405600
0.15294685 0.21733382 0.17766594
0.04302147 0.39171194 0.27374081
0.14558208 0.39395023 0.28461964
0.20341767 0.30636473 0.23841571
0.31661191 0.31099231 0.25388452
0.34161907 0.41233566 0.17634273
0.41191977 0.50110984 0.20301166
0.43879955 0.58626742 0.13031599
0.29775701 0.41283723 0.07317325
0.32427653 0.49586103 -0.00067847
0.39506987 0.58296461 0.02813880
0.50226644 0.72567889 -0.03183373
0.49708286 0.86049817 -0.03189855
0.58521834 0.92116250 -0.01745063
0.59323770 0.65092723 -0.01979353
0.68059125 0.71289023 -0.00513296
0.67692264 0.84779421 -0.00316858
0.35725295 0.34059710 0.36428162
0.36947757 0.17943531 0.23571600
0.14535434 0.85807905 0.98005486
0.05124617 0.68083174 -0.04794184
0.98703193 0.80175021 0.91060320
0.88873011 0.81558560 0.86207538
0.84669056 0.94225170 0.83038674
0.71437492 0.87849346 0.71276292
0.62266218 0.82942785 0.71448220
0.58779059 0.73890588 0.64577829
0.64661321 0.69987603 0.57674187
0.63441739 0.60236621 0.49869724
0.78473693 0.69406166 0.49635016
0.73641210 0.75328414 0.57503585
0.77226848 0.84312547 0.64119876
0.90148457 0.04980080 0.84707995
0.00125255 0.03326694 0.89561228
0.04329376 0.90789186 0.92728310
0.82235276 0.20547611 0.35570657
0.73912783 0.34383112 0.46854348
0.76177185 0.68210764 0.27606601
0.84456780 0.54313145 0.16417424
0.19416922 0.14667756 0.14026133
0.01205205 0.14600799 0.11625690
0.00155339 0.46027734 0.31247495
0.18035192 0.46587778 0.33202525
0.49318185 0.65498323 0.15371967
0.44779728 0.50547613 0.28219210
0.24145927 0.34707985 0.04915065
0.29060038 0.49460846 0.91932911
0.58218261 0.02655302 -0.01661911
0.42470459 0.91558910 -0.04182568
0.59500932 0.54579514 0.97887118
0.75178441 0.65467441 0.00412122
0.43862370 0.33351421 0.37994083
0.33300451 0.27039937 0.41670249
0.33157380 0.43831300 0.38182317
0.45008766 0.18554026 0.25196037
0.34964837 0.15339526 0.15687667
0.35185552 0.10088110 0.28588492
0.84654815 0.73193091 0.84853950
0.58082653 0.86011604 0.77211877
0.51764612 0.69793386 0.64846666
0.84331733 0.88224883 0.63927200
0.86486236 0.14579459 0.82077212
0.04441821 0.11669877 0.90634186
0.20359726 0.65957926 0.02246677
0.74524986 0.89576218 0.00892524
0.89313568 0.29032402 0.19896174
0.41425077 0.66632155 0.95134578
0.21735341 0.91805780 0.00765972
0.03028996 0.56839131 -0.04935848
0.74778943 0.96514739 0.78357681
0.56730240 0.53259550 0.47693365
0.86466754 0.71350611 0.47395269
0.14317949 0.72297752 0.99263554
0.71910183 0.60495748 0.45234748
No title
1
13.694998 0.470190 -1.233997
0.496494 10.358854 0.256639
-1.271289 0.460740 13.347874
C H O N
43 30 7 2
Direct configuration= 395
0.74737022 0.52136868 0.37981579
0.76088552 0.38706375 0.40105934
0.80713742 0.30981419 0.33834739
0.77375823 0.57770063 0.29255361
0.81959464 0.50029694 0.22975544
0.83960952 0.36728085 0.25528424
-0.00493929 0.30152417 0.21318495
0.05009891 0.21506306 0.16414009
0.15291135 0.21717134 0.17770868
0.04307721 0.39163919 0.27377388
0.14566312 0.39383879 0.28461233
0.20346320 0.30622320 0.23839524
0.31667191 0.31089177 0.25390780
0.34164539 0.41228951 0.17632885
0.41199737 0.50101659 0.20300253
0.43884806 0.58618349 0.13032832
0.29770853 0.41278011 0.07315895
0.32421432 0.49585295 -0.00070545
0.39504444 0.58294071 0.02811285
0.50223963 0.72572835 -0.03180634
0.49705012 0.86055032 -0.03188557
0.58518829 0.92122727 -0.01745733
0.59323751 0.65101116 -0.01980686
0.68055963 0.71309259 -0.00517284
0.67689219 0.84794517 -0.00320116
0.35735111 0.34044588 0.36429390
0.36946459 0.17932720 0.23569114
0.14540833 0.85826341 0.98014509
0.05129250 0.68092998 -0.04796189
0.98705223 0.80185028 0.91057733
0.88870945 0.81563539 0.86205880
0.84668995 0.94230775 0.83042224
0.71437421 0.87854600 0.71273113
0.62262355 0.82949701 0.71441190
0.58774639 0.73896321 0.64567765
0.64657191 0.69991584 0.57664213
0.63434513 0.60235268 0.49863610
0.78474066 0.69408868 0.49630926
0.73638359 0.75330900 0.57500574
0.77223918 0.84320330 0.64113903
0.90147409 0.04989527 0.84720525
0.00126148 0.03342182 0.89579324
0.04331772 0.90800774 0.92737370
0.82226937 0.20538973 0.35574685
0.73903552 0.34380529 0.46854625
0.76179046 0.68200377 0.27596906
0.84458775 0.54296316 0.16414449
0.19416342 0.14652923 0.14032646
0.01198965 0.14586610 0.11633469
0.00159226 0.46021795 0.31249214
0.18045119 0.46582076 0.33204258
0.49326018 0.65493467 0.15371579
0.44791113 0.50539535 0.28221389
0.24141671 0.34701087 0.04917586
0.29050846 0.49457176 0.91932458
0.58211901 0.02667317 -0.01662823
0.42465376 0.91561687 -0.04181388
0.59501379 0.54591831 0.97882578
0.75177628 0.65485828 0.00405343
0.43872135 0.33340157 0.37995079
0.33309348 0.27027140 0.41673227
0.33167900 0.43822805 0.38182321
0.45009049 0.18543115 0.25193404
0.34962098 0.15329797 0.15682787
0.35181922 0.10078408 0.28586571
0.84656167 0.73201513 0.84848848
0.58076794 0.86014553 0.77207270
0.51756665 0.69794630 0.64833564
0.84330821 0.88238799 0.63927997
0.86483025 0.14588761 0.82090296
0.04443159 0.11681909 0.90661371
0.20369941 0.65971928 0.02246423
0.74522067 0.89598368 0.00887632
0.89310747 0.29020514 0.19900065
0.41423251 0.66632171 0.95134459
0.21735292 0.91819895 0.00782592
0.03038310 0.56849830 -0.04948481
0.74779230 0.96520745 0.78354403
0.56724215 0.53256844 0.47689355
0.86464767 0.71350598 0.47394719
0.14323844 0.72310313 0.99264689
0.71912638 0.60496364 0.45231495
No title
1
13.689242 0.463507 -1.237238
0.491047 10.359532 0.255527
-1.274735 0.460338 13.341095
C H O N
43 30 7 2
Direct configuration= 396
0.74727609 0.52137985 0.37969862
0.76080498 0.38702209 0.40103294
0.80701610 0.30950199 0.33835595
0.77383983 0.57731683 0.29247393
0.81955121 0.49996096 0.22975721
0.83957846 0.36702742 0.25524242
-0.00490991 0.30128031 0.21333263
0.04993522 0.21467342 0.16439675
0.15289208 0.21673600 0.17790684
0.04319945 0.39139384 0.27382363
0.14592634 0.39341399 0.28458208
0.20355582 0.30580512 0.23837115
0.31686513 0.31055403 0.25389788
0.34172837 0.41212950 0.17632372
0.41230894 0.50077071 0.20305370
0.43899016 0.58600486 0.13039259
0.29764932 0.41267748 0.07304292
0.32397610 0.49576460 -0.00068064
0.39506404 0.58287256 0.02806907
0.50211632 0.72575666 -0.03171621
0.49694387 0.86074858 -0.03184367
0.58507288 0.92159881 -0.01745596
0.59329616 0.65138208 -0.01980834
0.68053834 0.71358180 -0.00530907
0.67681019 0.84838793 -0.00326141
0.35758781 0.34012276 0.36429936
0.36943893 0.17899489 0.23560000
0.14551453 0.85863550 0.98039873
0.05147194 0.68125235 -0.04809186
0.98709854 0.80221491 0.91051908
0.88876426 0.81587671 0.86205018
0.84667650 0.94255586 0.83052447
0.71430403 0.87870757 0.71264764
0.62243202 0.82970465 0.71421549
0.58755815 0.73909583 0.64538449
0.64644457 0.70005606 0.57633941
0.63410191 0.60246173 0.49853976
0.78458807 0.69414462 0.49624178
0.73640449 0.75341976 0.57482623
0.77225139 0.84348268 0.64095510
0.90145985 0.05018145 0.84764834
0.00121933 0.03385051 0.89630366
0.04327137 0.90841475 0.92760889
0.82200136 0.20519004 0.35584659
0.73874978 0.34374664 0.46854299
0.76181389 0.68184688 0.27565242
0.84465875 0.54250295 0.16394813
0.19411056 0.14603177 0.14050574
0.01180076 0.14539465 0.11661352
0.00174548 0.45999035 0.31256138
0.18075542 0.46561050 0.33205156
0.49344043 0.65470745 0.15366909
0.44822468 0.50514240 0.28219924
0.24124310 0.34675183 0.04924391
0.29020680 0.49442352 0.91927044
0.58191457 0.02696039 -0.01665436
0.42448914 0.91568249 -0.04174893
0.59502139 0.54628453 0.97870366
0.75171482 0.65550930 0.00385429
0.43907734 0.33301101 0.38000141
0.33338803 0.26985261 0.41685589
0.33204411 0.43786110 0.38182300
0.45012685 0.18506875 0.25185355
0.34951841 0.15299452 0.15667869
0.35168989 0.10046410 0.28583840
0.84652689 0.73215965 0.84834501
0.58060744 0.86020438 0.77187957
0.51735377 0.69802722 0.64792533
0.84318562 0.88273827 0.63927351
0.86476317 0.14618843 0.82129869
0.04451378 0.11721069 0.90752175
0.20398660 0.66029118 0.02244788
0.74516400 0.89666904 0.00873689
0.89310167 0.28979103 0.19912836
0.41412979 0.66637263 0.95125779
0.21750856 0.91879504 0.00839434
0.03063953 0.56879505 -0.04985200
0.74782725 0.96539694 0.78341596
0.56700718 0.53237986 0.47671012
0.86464466 0.71354623 0.47386937
0.14344568 0.72344736 0.99272300
0.71929203 0.60496729 0.45218140
No title
1
13.687169 0.461101 -1.238405
0.489085 10.359777 0.255126
-1.275976 0.460193 13.338654
C H O N
43 30 7 2
Direct configuration= 397
0.74724217 0.52138385 0.37965639
0.76077595 0.38700706 0.40102342
0.80697234 0.30938954 0.33835901
0.77386917 0.57717864 0.29244521
0.81953551 0.49983996 0.22975783
0.83956723 0.36693615 0.25522734
-0.00489934 0.30119251 0.21338584
0.04987622 0.21453307 0.16448920
0.15288510 0.21657923 0.17797822
0.04324346 0.39130552 0.27384155
0.14602110 0.39326108 0.28457118
0.20358912 0.30565459 0.23836246
0.31693469 0.31043245 0.25389432
0.34175824 0.41207189 0.17632187
0.41242116 0.50068223 0.20307215
0.43904133 0.58594056 0.13041576
0.29762796 0.41264051 0.07300110
0.32389026 0.49573274 -0.00067173
0.39507108 0.58284802 0.02805329
0.50207191 0.72576682 -0.03168374
0.49690563 0.86081995 -0.03182857
0.58503136 0.92173258 -0.01745546
0.59331735 0.65151567 -0.01980885
0.68053072 0.71375795 -0.00535814
0.67678070 0.84854734 -0.00328311
0.35767305 0.34000646 0.36430134
0.36942962 0.17887521 0.23556714
0.14555287 0.85876951 0.98049015
0.05153662 0.68136848 -0.04813866
0.98711527 0.80234622 0.91049812
0.88878404 0.81596363 0.86204710
0.84667170 0.94264519 0.83056132
0.71427876 0.87876574 0.71261756
0.62236303 0.82977938 0.71414471
0.58749032 0.73914355 0.64527884
0.64639868 0.70010653 0.57623032
0.63401429 0.60250094 0.49850503
0.78453309 0.69416472 0.49621745
0.73641201 0.75345965 0.57476156
0.77225581 0.84358329 0.64088884
0.90145481 0.05028450 0.84780801
0.00120426 0.03400487 0.89648759
0.04325475 0.90856131 0.92769365
0.82190479 0.20511808 0.35588249
0.73864682 0.34372545 0.46854179
0.76182228 0.68179039 0.27553833
0.84468424 0.54233725 0.16387737
0.19409146 0.14585262 0.14057031
0.01173266 0.14522484 0.11671395
0.00180066 0.45990843 0.31258633
0.18086500 0.46553486 0.33205481
0.49350533 0.65462567 0.15365228
0.44833761 0.50505138 0.28219398
0.24118052 0.34665852 0.04926840
0.29009809 0.49437007 0.91925090
0.58184096 0.02706377 -0.01666379
0.42442984 0.91570608 -0.04172554
0.59502416 0.54641641 0.97865967
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0.43920555 0.33287045 0.38001967
0.33349410 0.26970188 0.41690044
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0.45013989 0.18493826 0.25182454
0.34948140 0.15288523 0.15662492
0.35164325 0.10034885 0.28582854
0.84651436 0.73221169 0.84829331
0.58054960 0.86022554 0.77180998
0.51727704 0.69805631 0.64777747
0.84314150 0.88286438 0.63927118
0.86473910 0.14629674 0.82144129
0.04454355 0.11735172 0.90784897
0.20409015 0.66049718 0.02244204
0.74514367 0.89691583 0.00868667
0.89309953 0.28964190 0.19917436
0.41409278 0.66639094 0.95122651
0.21756479 0.91900973 0.00859920
0.03073193 0.56890196 -0.04998427
0.74783986 0.96546519 0.78336983
0.56692248 0.53231190 0.47664399
0.86464357 0.71356073 0.47384133
0.14352040 0.72357135 0.99275046
0.71935170 0.60496864 0.45213330
No title
1
13.681756 0.454287 -1.241916
0.483553 10.360655 0.254169
-1.279671 0.460007 13.332516
C H O N
43 30 7 2
Direct configuration= 398
0.74722473 0.52130734 0.37957873
0.76065029 0.38689472 0.40105336
0.80683202 0.30912570 0.33836806
0.77389029 0.57695917 0.29224859
0.81958053 0.49940104 0.22967252
0.83946646 0.36668337 0.25527633
-0.00497664 0.30091065 0.21348163
0.04984750 0.21411176 0.16470979
0.15285343 0.21608407 0.17813745
0.04341763 0.39108503 0.27388635
0.14618938 0.39295202 0.28462780
0.20373016 0.30531478 0.23844829
0.31707014 0.31007491 0.25375825
0.34189233 0.41186911 0.17634265
0.41267669 0.50039076 0.20314231
0.43916229 0.58587966 0.13036152
0.29759265 0.41242963 0.07301309
0.32370306 0.49576822 -0.00071253
0.39510321 0.58269558 0.02809032
0.50203183 0.72592917 -0.03161972
0.49676102 0.86090041 -0.03177613
0.58490084 0.92218131 -0.01742836
0.59327052 0.65190910 -0.01980020
0.68060095 0.71419165 -0.00548548
0.67675275 0.84907619 -0.00330536
0.35793250 0.33972419 0.36434136
0.36944552 0.17851548 0.23548499
0.14571591 0.85912401 0.98079569
0.05174160 0.68174040 -0.04836435
0.98723452 0.80264572 0.91053915
0.88882318 0.81627145 0.86200964
0.84668420 0.94291883 0.83067440
0.71416914 0.87889449 0.71245022
0.62213586 0.82991433 0.71391179
0.58729863 0.73926780 0.64499330
0.64623978 0.70033777 0.57604303
0.63378630 0.60253877 0.49831888
0.78452023 0.69419399 0.49606994
0.73645882 0.75367563 0.57455295
0.77217430 0.84379684 0.64076572
0.90137899 0.05067929 0.84824926
0.00116383 0.03437590 0.89699736
0.04322230 0.90899415 0.92793298
0.82163563 0.20492276 0.35596435
0.73838577 0.34373670 0.46847042
0.76184539 0.68157871 0.27524119
0.84471817 0.54189205 0.16367954
0.19396958 0.14532755 0.14073943
0.01153066 0.14471090 0.11703672
0.00201402 0.45962900 0.31266781
0.18114963 0.46520202 0.33196333
0.49367288 0.65437482 0.15360069
0.44866198 0.50478984 0.28218723
0.24099670 0.34640260 0.04932008
0.28978063 0.49419759 0.91917589
0.58163715 0.02732990 -0.01668483
0.42426480 0.91574355 -0.04163107
0.59504091 0.54678270 0.97856121
0.75165158 0.65645118 0.00359752
0.43956183 0.33244648 0.38007554
0.33381623 0.26931255 0.41701819
0.33257311 0.43728438 0.38183490
0.45020032 0.18453287 0.25174397
0.34935599 0.15257458 0.15647810
0.35150691 0.10004366 0.28580468
0.84643836 0.73230438 0.84817060
0.58038360 0.86027397 0.77158977
0.51707330 0.69817273 0.64736136
0.84305270 0.88319694 0.63921697
0.86472555 0.14656029 0.82185618
0.04464072 0.11775028 0.90881964
0.20438171 0.66116361 0.02243537
0.74508805 0.89756806 0.00855469
0.89315418 0.28923384 0.19930153
0.41391523 0.66641504 0.95109481
0.21770546 0.91962166 0.00915174
0.03093670 0.56914023 -0.05033680
0.74787705 0.96568988 0.78324364
0.56678316 0.53219422 0.47645184
0.86461139 0.71366174 0.47375557
0.14369446 0.72403332 0.99282015
0.71926517 0.60494109 0.45208955
No title
1
13.678013 0.449576 -1.244343
0.479727 10.361261 0.253508
-1.282225 0.459879 13.328271
C H O N
43 30 7 2
Direct configuration= 399
0.74721263 0.52125444 0.37952500
0.76056335 0.38681700 0.40107404
0.80673488 0.30894323 0.33837427
0.77390479 0.57680745 0.29211257
0.81961152 0.49909762 0.22961348
0.83939670 0.36650857 0.25531018
-0.00503017 0.30071575 0.21354786
0.04982756 0.21382048 0.16486234
0.15283141 0.21574175 0.17824755
0.04353805 0.39093267 0.27391736
0.14630569 0.39273843 0.28466697
0.20382763 0.30507993 0.23850767
0.31716369 0.30982779 0.25366413
0.34198502 0.41172897 0.17635703
0.41285337 0.50018936 0.20319086
0.43924592 0.58583760 0.13032402
0.29756816 0.41228382 0.07302135
0.32357358 0.49579268 -0.00074078
0.39512539 0.58259021 0.02811592
0.50200417 0.72604139 -0.03157543
0.49666103 0.86095598 -0.03173988
0.58481070 0.92249147 -0.01740960
0.59323824 0.65218108 -0.01979419
0.68064962 0.71449151 -0.00557351
0.67673357 0.84944178 -0.00332072
0.35811188 0.33952917 0.36436908
0.36945640 0.17826679 0.23542815
0.14582884 0.85936915 0.98100711
0.05188344 0.68199762 -0.04852040
0.98731710 0.80285282 0.91056759
0.88885034 0.81648427 0.86198377
0.84669295 0.94310801 0.83075264
0.71409332 0.87898345 0.71233445
0.62197872 0.83000753 0.71375064
0.58716602 0.73935362 0.64479575
0.64612990 0.70049757 0.57591346
0.63362857 0.60256482 0.49819007
0.78451131 0.69421421 0.49596790
0.73649121 0.75382497 0.57440868
0.77211795 0.84394444 0.64068055
0.90132675 0.05095219 0.84855451
0.00113609 0.03463238 0.89735001
0.04320003 0.90929336 0.92809856
0.82144942 0.20478761 0.35602091
0.73820519 0.34374437 0.46842101
0.76186126 0.68143238 0.27503564
0.84474147 0.54158429 0.16354267
0.19388517 0.14496450 0.14085635
0.01139086 0.14435551 0.11725991
0.00216153 0.45943592 0.31272420
0.18134638 0.46497204 0.33190008
0.49378869 0.65420147 0.15356503
0.44888627 0.50460916 0.28218260
0.24086950 0.34622560 0.04935578
0.28956099 0.49407821 0.91912393
0.58149626 0.02751380 -0.01669941
0.42415067 0.91576937 -0.04156576
0.59505258 0.54703594 0.97849313
0.75162327 0.65694025 0.00346956
0.43980816 0.33215354 0.38011422
0.33403895 0.26904354 0.41709967
0.33284793 0.43697714 0.38184321
0.45024198 0.18425265 0.25168822
0.34926912 0.15235977 0.15637648
0.35141251 0.09983261 0.28578813
0.84638580 0.73236843 0.84808570
0.58026874 0.86030738 0.77143742
0.51693232 0.69825312 0.64707348
0.84299137 0.88342681 0.63917948
0.86471634 0.14674248 0.82214320
0.04470826 0.11802585 0.90949114
0.20458357 0.66162446 0.02243086
0.74504973 0.89801895 0.00846342
0.89319190 0.28895176 0.19938948
0.41379240 0.66643163 0.95100368
0.21780306 0.92004477 0.00953404
0.03107833 0.56930505 -0.05058061
0.74790280 0.96584524 0.78315637
0.56668673 0.53211281 0.47631888
0.86458914 0.71373156 0.47369625
0.14381500 0.72435277 0.99286844
0.71920531 0.60492201 0.45205927
No title
1
13.674001 0.444066 -1.247070
0.475295 10.361738 0.252942
-1.285089 0.459959 13.323935
C H O N
43 30 7 2
Direct configuration= 400
0.74723250 0.52112120 0.37949271
0.76046918 0.38672124 0.40104345
0.80657765 0.30884455 0.33843353
0.77388655 0.57670646 0.29192770
0.81966787 0.49884186 0.22947544
0.83934547 0.36619707 0.25536564
-0.00503371 0.30047319 0.21361101
0.04981690 0.21347845 0.16500097
0.15282904 0.21537367 0.17836809
0.04363363 0.39075270 0.27393878
0.14641905 0.39252237 0.28472385
0.20391846 0.30482112 0.23859265
0.31725543 0.30957675 0.25359711
0.34211418 0.41150816 0.17637652
0.41300509 0.50000886 0.20315704
0.43930602 0.58572251 0.13031502
0.29753204 0.41210514 0.07304231
0.32344315 0.49578764 -0.00077931
0.39510203 0.58249543 0.02806791
0.50194160 0.72622207 -0.03157416
0.49656683 0.86105990 -0.03168328
0.58471481 0.92267351 -0.01737602
0.59321754 0.65242912 -0.01978541
0.68061850 0.71495238 -0.00566269
0.67669660 0.84985763 -0.00333682
0.35837273 0.33919421 0.36440235
0.36947332 0.17797214 0.23536839
0.14597566 0.85978902 0.98126493
0.05201687 0.68217658 -0.04871638
0.98739418 0.80306033 0.91061317
0.88883997 0.81663449 0.86193982
0.84670064 0.94333016 0.83083314
0.71397653 0.87909121 0.71219611
0.62184493 0.83009681 0.71356078
0.58701712 0.73947140 0.64458536
0.64606116 0.70068904 0.57576602
0.63353647 0.60261174 0.49803359
0.78450793 0.69424573 0.49585456
0.73641906 0.75398971 0.57424643
0.77203167 0.84408091 0.64060949
0.90127621 0.05123966 0.84889300
0.00113164 0.03498092 0.89775777
0.04328660 0.90955615 0.92833786
0.82124826 0.20461902 0.35607458
0.73800951 0.34376608 0.46836967
0.76188543 0.68121463 0.27481698
0.84474283 0.54122335 0.16341901
0.19375946 0.14453699 0.14097670
0.01123673 0.14394154 0.11753190
0.00235982 0.45920849 0.31279592
0.18157345 0.46470395 0.33181317
0.49395722 0.65406350 0.15354159
0.44916665 0.50440266 0.28223585
0.24074840 0.34605932 0.04939298
0.28931966 0.49395415 0.91906855
0.58133892 0.02780140 -0.01670955
0.42402737 0.91576536 -0.04147916
0.59506389 0.54733760 0.97843189
0.75168345 0.65744349 0.00334282
0.44005247 0.33182455 0.38015071
0.33429815 0.26878879 0.41716557
0.33314783 0.43667591 0.38187476
0.45030300 0.18391677 0.25162793
0.34916649 0.15211047 0.15627148
0.35131405 0.09962943 0.28575384
0.84635376 0.73251286 0.84800988
0.58012245 0.86035101 0.77127044
0.51675206 0.69834147 0.64675305
0.84295854 0.88368306 0.63911843
0.86471253 0.14697476 0.82246564
0.04475791 0.11829039 0.91025017
0.20480863 0.66216428 0.02243227
0.74502613 0.89851388 0.00837144
0.89316705 0.28867914 0.19949835
0.41367579 0.66642135 0.95093866
0.21784971 0.92045173 0.00992697
0.03123618 0.56959315 -0.05085026
0.74790413 0.96601720 0.78304965
0.56657716 0.53202613 0.47615560
0.86462691 0.71384538 0.47359465
0.14395133 0.72475801 0.99291240
0.71902391 0.60484765 0.45201414
No title
1
13.667872 0.435651 -1.251235
0.468526 10.362466 0.252078
-1.289462 0.460083 13.317312
C H O N
43 30 7 2
Direct configuration= 401
0.74726278 0.52091772 0.37944338
0.76032526 0.38657492 0.40099667
0.80633742 0.30869371 0.33852400
0.77385857 0.57655221 0.29164524
0.81975377 0.49845132 0.22926454
0.83926708 0.36572131 0.25545032
-0.00503923 0.30010274 0.21370747
0.04980050 0.21295610 0.16521272
0.15282528 0.21481155 0.17855221
0.04377955 0.39047791 0.27397153
0.14659215 0.39219250 0.28481077
0.20405712 0.30442593 0.23872248
0.31739543 0.30919345 0.25349472
0.34231141 0.41117104 0.17640632
0.41323678 0.49973332 0.20310538
0.43939777 0.58554679 0.13030129
0.29747677 0.41183222 0.07307430
0.32324387 0.49577984 -0.00083822
0.39506627 0.58235066 0.02799453
0.50184611 0.72649795 -0.03157223
0.49642300 0.86121854 -0.03159681
0.58456842 0.92295143 -0.01732472
0.59318603 0.65280791 -0.01977198
0.68057115 0.71565620 -0.00579889
0.67664032 0.85049268 -0.00336139
0.35877110 0.33868287 0.36445324
0.36949900 0.17752217 0.23527706
0.14620028 0.86043035 0.98165894
0.05222075 0.68245001 -0.04901573
0.98751204 0.80337729 0.91068287
0.88882420 0.81686391 0.86187268
0.84671252 0.94366942 0.83095615
0.71379810 0.87925569 0.71198472
0.62164052 0.83023306 0.71327068
0.58678961 0.73965115 0.64426388
0.64595620 0.70098141 0.57554075
0.63339573 0.60268332 0.49779448
0.78450272 0.69429387 0.49568141
0.73630886 0.75424126 0.57399854
0.77189991 0.84428925 0.64050092
0.90119926 0.05167864 0.84941016
0.00112516 0.03551318 0.89838080
0.04341908 0.90995754 0.92870351
0.82094087 0.20436139 0.35615650
0.73771055 0.34379910 0.46829117
0.76192216 0.68088211 0.27448289
0.84474468 0.54067213 0.16323003
0.19356724 0.14388398 0.14116048
0.01100115 0.14330918 0.11794735
0.00266267 0.45886131 0.31290554
0.18192018 0.46429470 0.33168042
0.49421461 0.65385291 0.15350583
0.44959491 0.50408752 0.28231727
0.24056332 0.34580528 0.04944976
0.28895088 0.49376449 0.91898384
0.58109870 0.02824050 -0.01672506
0.42383903 0.91575913 -0.04134689
0.59508131 0.54779831 0.97833836
0.75177561 0.65821208 0.00314926
0.44042556 0.33132231 0.38020651
0.33469403 0.26839994 0.41726630
0.33360586 0.43621611 0.38192303
0.45039604 0.18340386 0.25153579
0.34900954 0.15172967 0.15611099
0.35116351 0.09931906 0.28570140
0.84630486 0.73273340 0.84789403
0.57989890 0.86041754 0.77101527
0.51647658 0.69847627 0.64626343
0.84290850 0.88407440 0.63902517
0.86470694 0.14732948 0.82295832
0.04483418 0.11869439 0.91140988
0.20515273 0.66298887 0.02243455
0.74499029 0.89926974 0.00823096
0.89312898 0.28826277 0.19966465
0.41349761 0.66640557 0.95083927
0.21792133 0.92107326 0.01052737
0.03147738 0.57003328 -0.05126217
0.74790621 0.96627982 0.78288662
0.56640967 0.53189367 0.47590609
0.86468462 0.71401926 0.47343943
0.14415984 0.72537700 0.99297967
0.71874673 0.60473394 0.45194512
No title
1
13.662969 0.429150 -1.254659
0.463304 10.363258 0.251671
-1.293047 0.460533 13.312098
C H O N
43 30 7 2
Direct configuration= 402
0.74727363 0.52077529 0.37935596
0.76017042 0.38653581 0.40094371
0.80614166 0.30849313 0.33862285
0.77384636 0.57624855 0.29144413
0.81975862 0.49817098 0.22919043
0.83924721 0.36539797 0.25546558
-0.00493845 0.29975638 0.21378810
0.04973263 0.21251960 0.16536454
0.15286221 0.21440317 0.17873107
0.04383882 0.39019476 0.27397765
0.14674221 0.39183436 0.28482377
0.20410289 0.30406760 0.23880816
0.31756046 0.30886732 0.25356633
0.34245309 0.41078083 0.17638083
0.41342889 0.49954509 0.20309706
0.43947323 0.58535668 0.13029958
0.29743224 0.41165511 0.07305772
0.32305294 0.49559551 -0.00086899
0.39496648 0.58230265 0.02782953
0.50170414 0.72664572 -0.03163493
0.49629145 0.86143398 -0.03151278
0.58446799 0.92317272 -0.01726278
0.59316856 0.65316779 -0.01978227
0.68049403 0.71627016 -0.00587267
0.67656397 0.85103203 -0.00339480
0.35912868 0.33819145 0.36446170
0.36950064 0.17716421 0.23518481
0.14616942 0.86096015 0.98192023
0.05243069 0.68289127 -0.04921866
0.98753366 0.80363898 0.91069515
0.88884010 0.81704491 0.86184290
0.84668318 0.94387354 0.83103398
0.71368451 0.87946652 0.71185025
0.62148766 0.83037066 0.71308349
0.58660834 0.73980833 0.64397198
0.64584880 0.70113516 0.57528060
0.63329404 0.60271672 0.49761580
0.78448639 0.69439636 0.49555489
0.73614486 0.75444272 0.57378703
0.77184546 0.84447988 0.64040265
0.90121997 0.05197814 0.84984966
0.00116978 0.03586579 0.89896340
0.04358589 0.91032786 0.92903451
0.82067490 0.20420088 0.35621244
0.73746321 0.34382280 0.46825020
0.76194712 0.68063283 0.27419665
0.84475109 0.54022280 0.16303382
0.19338777 0.14329657 0.14129963
0.01081106 0.14274118 0.11831059
0.00293396 0.45859031 0.31301772
0.18225509 0.46403874 0.33161924
0.49446810 0.65373837 0.15349644
0.44996216 0.50381424 0.28239033
0.24043896 0.34563305 0.04949178
0.28865301 0.49363633 0.91892762
0.58090327 0.02860376 -0.01672525
0.42368944 0.91571508 -0.04121930
0.59509378 0.54816647 0.97828109
0.75190052 0.65886202 0.00299735
0.44074079 0.33089955 0.38024450
0.33502307 0.26809465 0.41733375
0.33399636 0.43584778 0.38199138
0.45048405 0.18294381 0.25146073
0.34887886 0.15138844 0.15599396
0.35105317 0.09909019 0.28563641
0.84628889 0.73299764 0.84780490
0.57969813 0.86047904 0.77079014
0.51620199 0.69857432 0.64585542
0.84286824 0.88437684 0.63893362
0.86468842 0.14769921 0.82337342
0.04486653 0.11902303 0.91238025
0.20542865 0.66370638 0.02244007
0.74498159 0.89990264 0.00812734
0.89299914 0.28791205 0.19981300
0.41343173 0.66640160 0.95081526
0.21812106 0.92169547 0.01107358
0.03164217 0.57025747 -0.05162493
0.74785435 0.96648900 0.78273907
0.56627186 0.53183432 0.47570529
0.86472195 0.71415363 0.47327285
0.14436036 0.72587253 0.99301756
0.71861382 0.60459121 0.45176704
No title
1
13.659479 0.424523 -1.257096
0.459587 10.363821 0.251382
-1.295598 0.460854 13.308387
C H O N
43 30 7 2
Direct configuration= 403
0.74728129 0.52067392 0.37929370
0.76006015 0.38650791 0.40090597
0.80600224 0.30835029 0.33869319
0.77383753 0.57603245 0.29130091
0.81976198 0.49797147 0.22913764
0.83923298 0.36516784 0.25547643
-0.00486678 0.29950992 0.21384552
0.04968421 0.21220891 0.16547261
0.15288843 0.21411254 0.17885842
0.04388094 0.38999328 0.27398201
0.14684896 0.39157954 0.28483303
0.20413541 0.30381259 0.23886917
0.31767789 0.30863528 0.25361734
0.34255386 0.41050319 0.17636269
0.41356563 0.49941121 0.20309116
0.43952691 0.58522141 0.13029837
0.29740048 0.41152904 0.07304589
0.32291693 0.49546424 -0.00089094
0.39489537 0.58226844 0.02771202
0.50160308 0.72675083 -0.03167959
0.49619786 0.86158724 -0.03145296
0.58439656 0.92333017 -0.01721869
0.59315621 0.65342391 -0.01978959
0.68043927 0.71670707 -0.00592519
0.67650975 0.85141585 -0.00341857
0.35938315 0.33784186 0.36446777
0.36950169 0.17690946 0.23511910
0.14614765 0.86133718 0.98210630
0.05258026 0.68320542 -0.04936309
0.98754913 0.80382524 0.91070391
0.88885146 0.81717373 0.86182171
0.84666237 0.94401880 0.83108941
0.71360367 0.87961653 0.71175449
0.62137882 0.83046853 0.71295017
0.58647925 0.73992013 0.64376411
0.64577231 0.70124455 0.57509535
0.63322161 0.60274045 0.49748854
0.78447476 0.69446930 0.49546480
0.73602811 0.75458604 0.57363639
0.77180672 0.84461554 0.64033268
0.90123490 0.05219127 0.85016262
0.00120178 0.03611672 0.89937827
0.04370483 0.91059147 0.92927025
0.82048548 0.20408652 0.35625222
0.73728711 0.34383956 0.46822098
0.76196476 0.68045543 0.27399282
0.84475548 0.53990303 0.16289408
0.19325985 0.14287843 0.14139865
0.01067563 0.14233683 0.11856918
0.00312707 0.45839756 0.31309765
0.18249346 0.46385671 0.33157573
0.49464855 0.65365696 0.15348980
0.45022359 0.50361991 0.28244242
0.24035038 0.34551042 0.04952166
0.28844087 0.49354498 0.91888751
0.58076423 0.02886221 -0.01672542
0.42358293 0.91568366 -0.04112849
0.59510274 0.54842850 0.97824033
0.75198962 0.65932463 0.00288924
0.44096512 0.33059881 0.38027160
0.33525728 0.26787751 0.41738183
0.33427431 0.43558580 0.38204011
0.45054657 0.18261643 0.25140727
0.34878569 0.15114554 0.15591058
0.35097454 0.09892725 0.28559010
0.84627757 0.73318569 0.84774144
0.57955515 0.86052274 0.77062980
0.51600641 0.69864400 0.64556485
0.84283963 0.88459207 0.63886844
0.86467541 0.14796232 0.82366902
0.04488987 0.11925689 0.91307123
0.20562531 0.66421715 0.02244408
0.74497555 0.90035307 0.00805359
0.89290662 0.28766239 0.19991860
0.41338482 0.66639874 0.95079815
0.21826356 0.92213836 0.01146259
0.03175949 0.57041712 -0.05188320
0.74781746 0.96663786 0.78263400
0.56617368 0.53179204 0.47556228
0.86474853 0.71424929 0.47315424
0.14450328 0.72622527 0.99304460
0.71851910 0.60448958 0.45164021
No title
1
13.652573 0.417047 -1.261267
0.453569 10.363999 0.251042
-1.299786 0.461498 13.302870
C H O N
43 30 7 2
Direct configuration= 404
0.74722852 0.52058240 0.37911836
0.75984403 0.38647398 0.40089126
0.80584197 0.30810247 0.33871701
0.77381979 0.57563768 0.29115305
0.81973205 0.49759458 0.22911966
0.83919321 0.36495026 0.25551766
-0.00483761 0.29908047 0.21392309
0.04962354 0.21171279 0.16563541
0.15286460 0.21362562 0.17901096
0.04399739 0.38964963 0.27401295
0.14698840 0.39119402 0.28482836
0.20422043 0.30337254 0.23894464
0.31788857 0.30820867 0.25378384
0.34272242 0.41005223 0.17632996
0.41375628 0.49912521 0.20319278
0.43965316 0.58509839 0.13019508
0.29732591 0.41129567 0.07302826
0.32274190 0.49520876 -0.00098634
0.39472456 0.58219229 0.02758917
0.50147151 0.72689928 -0.03177371
0.49604670 0.86174170 -0.03136129
0.58426475 0.92380725 -0.01714237
0.59308657 0.65389813 -0.01985152
0.68047741 0.71724607 -0.00594105
0.67645619 0.85202715 -0.00346211
0.35972894 0.33742389 0.36447968
0.36950054 0.17656358 0.23501542
0.14627406 0.86207024 0.98248256
0.05277623 0.68352941 -0.04950515
0.98761887 0.80421304 0.91070431
0.88888758 0.81747009 0.86181082
0.84661561 0.94421794 0.83115344
0.71354827 0.87989457 0.71161887
0.62121545 0.83062510 0.71277009
0.58627713 0.74007670 0.64340613
0.64553503 0.70128925 0.57474940
0.63309467 0.60267451 0.49726353
0.78445062 0.69462235 0.49528240
0.73591352 0.75484185 0.57340064
0.77176733 0.84484069 0.64019305
0.90128931 0.05245560 0.85061444
0.00129450 0.03637348 0.90009581
0.04375278 0.91102393 0.92959217
0.82017413 0.20394403 0.35631966
0.73701380 0.34387336 0.46819838
0.76198949 0.68014532 0.27367382
0.84475977 0.53941352 0.16265546
0.19305268 0.14220172 0.14155640
0.01046745 0.14163965 0.11897232
0.00342139 0.45812800 0.31324039
0.18289309 0.46363609 0.33154774
0.49491286 0.65352814 0.15347936
0.45061923 0.50330472 0.28248082
0.24023609 0.34535229 0.04955165
0.28810738 0.49342786 0.91883742
0.58056187 0.02915413 -0.01670425
0.42338915 0.91564166 -0.04097056
0.59512162 0.54882298 0.97820250
0.75205811 0.66015633 0.00271924
0.44137620 0.33011671 0.38030612
0.33560920 0.26750522 0.41746502
0.33475197 0.43509041 0.38213222
0.45062908 0.18206765 0.25131936
0.34863788 0.15074255 0.15579294
0.35087196 0.09867304 0.28550440
0.84626388 0.73350403 0.84763399
0.57931181 0.86060575 0.77037247
0.51568017 0.69875332 0.64511312
0.84279527 0.88489458 0.63875313
0.86467168 0.14837500 0.82416937
0.04489562 0.11964584 0.91414811
0.20594538 0.66501374 0.02246591
0.74495407 0.90104942 0.00794954
0.89278875 0.28721565 0.20006346
0.41334850 0.66641942 0.95076492
0.21836210 0.92275053 0.01200974
0.03198176 0.57085277 -0.05230735
0.74775280 0.96688249 0.78251747
0.56600898 0.53179725 0.47536648
0.86468227 0.71436731 0.47296734
0.14467767 0.72681114 0.99301774
0.71859855 0.60443500 0.45137050
No title
1
13.646833 0.410834 -1.264734
0.448567 10.364147 0.250759
-1.303268 0.462032 13.298285
C H O N
43 30 7 2
Direct configuration= 405
0.74718455 0.52050631 0.37897253
0.75966427 0.38644566 0.40087897
0.80570860 0.30789640 0.33873677
0.77380485 0.57530956 0.29103005
0.81970701 0.49728130 0.22910468
0.83916006 0.36476939 0.25555192
-0.00481349 0.29872353 0.21398758
0.04957294 0.21130036 0.16577076
0.15284464 0.21322087 0.17913778
0.04409412 0.38936406 0.27403869
0.14710421 0.39087366 0.28482450
0.20429100 0.30300680 0.23900741
0.31806368 0.30785417 0.25392234
0.34286243 0.40967748 0.17630277
0.41391475 0.49888759 0.20327733
0.43975808 0.58499621 0.13010921
0.29726380 0.41110166 0.07301357
0.32259621 0.49499631 -0.00106574
0.39458243 0.58212891 0.02748695
0.50136211 0.72702260 -0.03185201
0.49592107 0.86186999 -0.03128510
0.58415533 0.92420373 -0.01707892
0.59302881 0.65429227 -0.01990301
0.68050932 0.71769411 -0.00595420
0.67641186 0.85253524 -0.00349829
0.36001637 0.33707666 0.36448967
0.36949943 0.17627610 0.23492918
0.14637958 0.86267959 0.98279554
0.05293928 0.68379884 -0.04962321
0.98767701 0.80453543 0.91070469
0.88891773 0.81771643 0.86180180
0.84657682 0.94438342 0.83120668
0.71350227 0.88012565 0.71150609
0.62107958 0.83075517 0.71262030
0.58610898 0.74020675 0.64310839
0.64533761 0.70132629 0.57446164
0.63298901 0.60261964 0.49707637
0.78443054 0.69474956 0.49513071
0.73581825 0.75505442 0.57320456
0.77173461 0.84502782 0.64007692
0.90133479 0.05267531 0.85099021
0.00137192 0.03658690 0.90069256
0.04379292 0.91138340 0.92985992
0.81991516 0.20382540 0.35637564
0.73678651 0.34390130 0.46817951
0.76200985 0.67988760 0.27340853
0.84476308 0.53900666 0.16245699
0.19288017 0.14163909 0.14168749
0.01029417 0.14106000 0.11930747
0.00366611 0.45790409 0.31335916
0.18322535 0.46345293 0.33152457
0.49513263 0.65342122 0.15347076
0.45094815 0.50304295 0.28251285
0.24014098 0.34522078 0.04957655
0.28782997 0.49333031 0.91879566
0.58039370 0.02939667 -0.01668670
0.42322801 0.91560663 -0.04083929
0.59513745 0.54915089 0.97817107
0.75211533 0.66084771 0.00257793
0.44171792 0.32971621 0.38033492
0.33590177 0.26719596 0.41753428
0.33514906 0.43467890 0.38220893
0.45069748 0.18161156 0.25124624
0.34851477 0.15040751 0.15569503
0.35078653 0.09846168 0.28543309
0.84625258 0.73376864 0.84754465
0.57910939 0.86067463 0.77015840
0.51540875 0.69884403 0.64473737
0.84275845 0.88514601 0.63865724
0.86466888 0.14871798 0.82458549
0.04490087 0.11996906 0.91504368
0.20621187 0.66567604 0.02248420
0.74493644 0.90162823 0.00786305
0.89269059 0.28684424 0.20018386
0.41331830 0.66643658 0.95073727
0.21844444 0.92325939 0.01246483
0.03216664 0.57121505 -0.05265998
0.74769907 0.96708579 0.78242055
0.56587195 0.53180151 0.47520360
0.86462716 0.71446539 0.47281190
0.14482292 0.72729822 0.99299548
0.71866453 0.60438971 0.45114623
No title
1
13.638776 0.402937 -1.268985
0.442176 10.364635 0.250366
-1.307432 0.462666 13.292833
C H O N
43 30 7 2
Direct configuration= 406
0.74706579 0.52039153 0.37880593
0.75946948 0.38627768 0.40081675
0.80552583 0.30782424 0.33873302
0.77376971 0.57510429 0.29086600
0.81971314 0.49690907 0.22895145
0.83910563 0.36447723 0.25566918
-0.00496171 0.29826851 0.21407414
0.04948973 0.21075329 0.16593113
0.15276632 0.21260282 0.17921794
0.04425119 0.38901339 0.27411801
0.14731590 0.39060535 0.28487789
0.20446181 0.30251782 0.23908838
0.31824673 0.30736279 0.25398368
0.34307862 0.40927126 0.17637245
0.41409276 0.49859125 0.20327863
0.43988158 0.58483613 0.13003314
0.29719982 0.41081796 0.07300728
0.32247380 0.49476737 -0.00119953
0.39444036 0.58202425 0.02748823
0.50129953 0.72727717 -0.03191808
0.49580415 0.86197907 -0.03119467
0.58398884 0.92466268 -0.01700950
0.59300999 0.65471360 -0.02000899
0.68057173 0.71825043 -0.00593718
0.67636929 0.85314594 -0.00354256
0.36038428 0.33672625 0.36459382
0.36951470 0.17593562 0.23485815
0.14648609 0.86329827 0.98318291
0.05311500 0.68429226 -0.04971207
0.98784246 0.80496599 0.91073053
0.88893814 0.81810687 0.86178842
0.84658075 0.94473022 0.83128175
0.71343592 0.88036704 0.71133853
0.62095977 0.83088790 0.71236708
0.58584478 0.74033703 0.64273420
0.64511061 0.70138169 0.57408852
0.63298171 0.60256591 0.49678335
0.78428299 0.69488839 0.49489905
0.73571725 0.75526039 0.57293837
0.77166100 0.84527283 0.63989821
0.90133871 0.05295019 0.85137609
0.00139203 0.03695473 0.90141933
0.04378392 0.91174716 0.93021118
0.81958735 0.20363671 0.35646369
0.73649493 0.34394028 0.46819616
0.76204205 0.67943575 0.27309291
0.84472633 0.53846111 0.16229136
0.19266598 0.14093290 0.14187040
0.01008388 0.14026808 0.11971503
0.00396153 0.45762610 0.31349976
0.18361037 0.46319012 0.33147729
0.49536331 0.65326443 0.15343381
0.45136175 0.50270167 0.28255705
0.23998854 0.34501823 0.04956879
0.28745067 0.49321873 0.91870172
0.58019222 0.02974674 -0.01663634
0.42298317 0.91558455 -0.04066069
0.59515466 0.54960544 0.97815302
0.75215123 0.66177445 0.00241246
0.44219073 0.32920845 0.38035707
0.33625430 0.26676439 0.41763755
0.33568058 0.43412278 0.38232243
0.45076282 0.18101185 0.25114669
0.34835095 0.14998513 0.15557905
0.35070166 0.09815922 0.28534232
0.84623677 0.73408533 0.84741718
0.57883115 0.86078285 0.76989625
0.51508398 0.69898243 0.64427383
0.84274867 0.88544475 0.63852394
0.86473186 0.14902644 0.82518606
0.04487798 0.12037730 0.91616445
0.20652627 0.66651976 0.02250722
0.74490713 0.90236302 0.00776687
0.89265322 0.28635263 0.20030603
0.41319517 0.66643065 0.95062693
0.21859123 0.92399727 0.01305347
0.03240571 0.57161123 -0.05311729
0.74767040 0.96736721 0.78238281
0.56558748 0.53173063 0.47497644
0.86462213 0.71463549 0.47259994
0.14503293 0.72792855 0.99294812
0.71878507 0.60451556 0.45094316
No title
1
13.631894 0.396192 -1.272616
0.436716 10.365051 0.250030
-1.310989 0.463207 13.288177
C H O N
43 30 7 2
Direct configuration= 407
0.74696418 0.52029342 0.37866350
0.75930290 0.38613408 0.40076349
0.80536958 0.30776249 0.33872975
0.77373954 0.57492895 0.29072577
0.81971818 0.49659113 0.22882047
0.83905902 0.36422762 0.25576935
-0.00508856 0.29787973 0.21414804
0.04941843 0.21028591 0.16606813
0.15269915 0.21207482 0.17928638
0.04438533 0.38871393 0.27418583
0.14749676 0.39037629 0.28492356
0.20460763 0.30210022 0.23915759
0.31840302 0.30694317 0.25403613
0.34326328 0.40892439 0.17643203
0.41424479 0.49833822 0.20327977
0.43998707 0.58469948 0.12996814
0.29714502 0.41057559 0.07300187
0.32236904 0.49457175 -0.00131393
0.39431887 0.58193475 0.02748928
0.50124612 0.72749459 -0.03197455
0.49570428 0.86207216 -0.03111742
0.58384674 0.92505461 -0.01695019
0.59299405 0.65507350 -0.02009955
0.68062531 0.71872568 -0.00592257
0.67633313 0.85366757 -0.00358036
0.36069865 0.33642714 0.36468292
0.36952759 0.17564479 0.23479743
0.14657750 0.86382677 0.98351405
0.05326538 0.68471386 -0.04978793
0.98798407 0.80533387 0.91075269
0.88895575 0.81844040 0.86177702
0.84658426 0.94502645 0.83134592
0.71337926 0.88057322 0.71119533
0.62085734 0.83100124 0.71215064
0.58561889 0.74044818 0.64241434
0.64491649 0.70142891 0.57376956
0.63297537 0.60252003 0.49653291
0.78415686 0.69500691 0.49470102
0.73563092 0.75543629 0.57271084
0.77159812 0.84548209 0.63974546
0.90134228 0.05318497 0.85170590
0.00140958 0.03726889 0.90204049
0.04377649 0.91205785 0.93051141
0.81930710 0.20347532 0.35653884
0.73624571 0.34397340 0.46821031
0.76206929 0.67904983 0.27282315
0.84469464 0.53799510 0.16214976
0.19248266 0.14032952 0.14202661
0.00990392 0.13959145 0.12006323
0.00421397 0.45738880 0.31362000
0.18393934 0.46296587 0.33143699
0.49556041 0.65313064 0.15340229
0.45171515 0.50241039 0.28259492
0.23985816 0.34484512 0.04956210
0.28712639 0.49312319 0.91862132
0.58002016 0.03004565 -0.01659333
0.42277392 0.91556553 -0.04050813
0.59516955 0.54999373 0.97813764
0.75218225 0.66256611 0.00227111
0.44259467 0.32877501 0.38037612
0.33655548 0.26639596 0.41772589
0.33613473 0.43364806 0.38241956
0.45081841 0.18049963 0.25106159
0.34821072 0.14962423 0.15547984
0.35062897 0.09790080 0.28526470
0.84622335 0.73435584 0.84730826
0.57859328 0.86087513 0.76967213
0.51480630 0.69910049 0.64387757
0.84274040 0.88569994 0.63841004
0.86478601 0.14928992 0.82569938
0.04485891 0.12072591 0.91712233
0.20679537 0.66724066 0.02252704
0.74488235 0.90299067 0.00768472
0.89262112 0.28593267 0.20041040
0.41308988 0.66642551 0.95053258
0.21871718 0.92462762 0.01355663
0.03261009 0.57194984 -0.05350802
0.74764599 0.96760759 0.78235056
0.56534422 0.53166993 0.47478221
0.86461784 0.71478081 0.47241880
0.14521269 0.72846712 0.99290776
0.71888810 0.60462316 0.45076966
No title
1
13.621871 0.387573 -1.276768
0.429627 10.366087 0.248868
-1.314975 0.462986 13.281584
C H O N
43 30 7 2
Direct configuration= 408
0.74683657 0.52012808 0.37851526
0.75907891 0.38598335 0.40069384
0.80514672 0.30759683 0.33881794
0.77376048 0.57464833 0.29045827
0.81968777 0.49623530 0.22865390
0.83904894 0.36389367 0.25579810
-0.00520278 0.29741912 0.21430198
0.04919355 0.20969027 0.16624858
0.15263608 0.21143515 0.17940607
0.04452621 0.38830808 0.27428943
0.14784384 0.39004758 0.28495872
0.20474651 0.30155970 0.23922596
0.31859775 0.30644295 0.25397979
0.34343809 0.40853721 0.17651182
0.41451521 0.49808446 0.20321200
0.44010359 0.58444972 0.13002348
0.29716413 0.41029232 0.07299551
0.32225882 0.49430962 -0.00136700
0.39426184 0.58187620 0.02748096
0.50121499 0.72771325 -0.03199583
0.49552915 0.86233713 -0.03103828
0.58371718 0.92534169 -0.01688697
0.59308422 0.65548233 -0.02022337
0.68056972 0.71947746 -0.00592533
0.67625225 0.85430021 -0.00361700
0.36117627 0.33589891 0.36486669
0.36954173 0.17521011 0.23473481
0.14670287 0.86437739 0.98392510
0.05341924 0.68529513 -0.04987980
0.98805846 0.80569329 0.91075969
0.88900363 0.81888754 0.86177089
0.84662046 0.94545663 0.83143415
0.71330055 0.88079032 0.71099710
0.62068682 0.83110269 0.71181306
0.58534930 0.74056461 0.64199578
0.64476696 0.70158031 0.57340599
0.63285302 0.60238296 0.49614023
0.78415338 0.69526135 0.49439980
0.73546760 0.75558599 0.57242689
0.77149814 0.84576503 0.63949687
0.90136238 0.05359012 0.85209752
0.00127361 0.03779572 0.90274547
0.04385845 0.91255519 0.93097716
0.81893761 0.20334044 0.35663213
0.73593219 0.34400822 0.46824245
0.76209288 0.67859974 0.27247513
0.84463815 0.53740211 0.16199783
0.19228125 0.13951306 0.14222217
0.00968223 0.13866552 0.12048566
0.00452285 0.45707251 0.31375081
0.18433273 0.46267584 0.33138817
0.49575575 0.65293199 0.15332599
0.45215095 0.50202551 0.28261394
0.23962355 0.34453353 0.04950595
0.28667612 0.49301141 0.91844712
0.57980248 0.03056353 -0.01650366
0.42251816 0.91551549 -0.04029145
0.59518225 0.55050216 0.97812934
0.75228324 0.66354741 0.00212673
0.44311296 0.32823012 0.38038365
0.33693302 0.26589720 0.41785778
0.33671247 0.43315631 0.38258622
0.45089884 0.17983520 0.25095095
0.34802660 0.14918557 0.15538134
0.35055989 0.09750612 0.28517839
0.84621695 0.73470915 0.84715285
0.57831552 0.86098826 0.76933755
0.51444399 0.69926689 0.64338790
0.84276974 0.88600882 0.63825071
0.86491082 0.14951225 0.82642808
0.04481079 0.12117792 0.91834674
0.20710822 0.66816184 0.02254706
0.74485410 0.90381816 0.00759549
0.89252217 0.28542142 0.20055655
0.41287384 0.66637832 0.95037374
0.21886565 0.92549976 0.01420086
0.03289490 0.57243959 -0.05400486
0.74763245 0.96790001 0.78234140
0.56514959 0.53165724 0.47452172
0.86458594 0.71502512 0.47221409
0.14552993 0.72913704 0.99289493
0.71880294 0.60471804 0.45060042
No title
1
13.614570 0.381295 -1.279794
0.424463 10.366842 0.248021
-1.317879 0.462825 13.276782
C H O N
43 30 7 2
Direct configuration= 409
0.74674344 0.52000760 0.37840716
0.75891556 0.38587345 0.40064301
0.80498422 0.30747605 0.33888213
0.77377557 0.57444397 0.29026330
0.81966542 0.49597612 0.22853246
0.83904147 0.36365043 0.25581902
-0.00528619 0.29708358 0.21441409
0.04902943 0.20925631 0.16637997
0.15258987 0.21096922 0.17949321
0.04462876 0.38801257 0.27436492
0.14809673 0.38980837 0.28498440
0.20484755 0.30116611 0.23927576
0.31873948 0.30607875 0.25393872
0.34356539 0.40825532 0.17656997
0.41471223 0.49789979 0.20316266
0.44018845 0.58426788 0.13006382
0.29717795 0.41008601 0.07299085
0.32217835 0.49411864 -0.00140573
0.39422024 0.58183351 0.02747488
0.50119238 0.72787248 -0.03201133
0.49540161 0.86253002 -0.03098063
0.58362287 0.92555069 -0.01684090
0.59315008 0.65578014 -0.02031354
0.68052949 0.72002497 -0.00592728
0.67619353 0.85476093 -0.00364365
0.36152427 0.33551446 0.36500070
0.36955184 0.17489353 0.23468913
0.14679458 0.86477848 0.98422477
0.05353161 0.68571858 -0.04994665
0.98811284 0.80595510 0.91076485
0.88903871 0.81921323 0.86176649
0.84664704 0.94576996 0.83149850
0.71324321 0.88094839 0.71085264
0.62056248 0.83117649 0.71156701
0.58515272 0.74064926 0.64169068
0.64465793 0.70169051 0.57314099
0.63276368 0.60228306 0.49585401
0.78415086 0.69544666 0.49418029
0.73534854 0.75569493 0.57221992
0.77142531 0.84597105 0.63931570
0.90137729 0.05388521 0.85238297
0.00117488 0.03817933 0.90325928
0.04391850 0.91291745 0.93131667
0.81866824 0.20324199 0.35670001
0.73570367 0.34403340 0.46826579
0.76210981 0.67827195 0.27222144
0.84459671 0.53697019 0.16188703
0.19213415 0.13891830 0.14236456
0.00952036 0.13799102 0.12079338
0.00474792 0.45684232 0.31384620
0.18461937 0.46246484 0.33135267
0.49589806 0.65278742 0.15327042
0.45246849 0.50174543 0.28262788
0.23945238 0.34430646 0.04946493
0.28634780 0.49292974 0.91832003
0.57964403 0.03094060 -0.01643832
0.42233175 0.91547889 -0.04013361
0.59519170 0.55087247 0.97812336
0.75235720 0.66426217 0.00202164
0.44349057 0.32783356 0.38038922
0.33720807 0.26553417 0.41795395
0.33713347 0.43279849 0.38270778
0.45095719 0.17935133 0.25087027
0.34789219 0.14886597 0.15530945
0.35050936 0.09721862 0.28511542
0.84621239 0.73496647 0.84703962
0.57811301 0.86107049 0.76909364
0.51417983 0.69938787 0.64303096
0.84279122 0.88623381 0.63813463
0.86500207 0.14967424 0.82695922
0.04477620 0.12150709 0.91923912
0.20733665 0.66883294 0.02256183
0.74483380 0.90442081 0.00753054
0.89244988 0.28504900 0.20066299
0.41271630 0.66634382 0.95025791
0.21897438 0.92613503 0.01467050
0.03310258 0.57279646 -0.05436684
0.74762269 0.96811297 0.78233474
0.56500765 0.53164789 0.47433183
0.86456273 0.71520305 0.47206491
0.14576144 0.72962514 0.99288573
0.71874086 0.60478709 0.45047707
No title
1
13.603959 0.372095 -1.284136
0.416755 10.368804 0.245495
-1.322126 0.461030 13.268516
C H O N
43 30 7 2
Direct configuration= 410
0.74664929 0.51987726 0.37823126
0.75860722 0.38585517 0.40066617
0.80478551 0.30717216 0.33896342
0.77381264 0.57394228 0.29001251
0.81961060 0.49549166 0.22842344
0.83898892 0.36330025 0.25579888
-0.00524212 0.29660545 0.21463900
0.04876916 0.20860409 0.16661550
0.15245980 0.21034096 0.17968401
0.04486535 0.38754930 0.27449061
0.14838388 0.38930858 0.28493585
0.20494872 0.30059386 0.23930841
0.31899560 0.30561119 0.25390041
0.34368237 0.40792085 0.17654386
0.41506756 0.49752162 0.20324133
0.44033271 0.58408798 0.13009844
0.29718707 0.40966521 0.07299215
0.32206877 0.49391793 -0.00145918
0.39420614 0.58174678 0.02738063
0.50110347 0.72804355 -0.03202182
0.49514905 0.86276959 -0.03091927
0.58350454 0.92601781 -0.01678867
0.59317858 0.65626821 -0.02043782
0.68053381 0.72086449 -0.00596274
0.67612697 0.85548549 -0.00365198
0.36206347 0.33481027 0.36515555
0.36955702 0.17432359 0.23459756
0.14708259 0.86549271 0.98471430
0.05370435 0.68623851 -0.05008279
0.98816929 0.80639142 0.91082886
0.88902797 0.81964626 0.86171298
0.84667854 0.94617580 0.83158420
0.71317954 0.88116636 0.71063715
0.62028545 0.83128142 0.71119657
0.58493237 0.74075708 0.64122290
0.64448448 0.70183678 0.57276972
0.63262322 0.60240034 0.49553733
0.78408369 0.69578909 0.49393577
0.73524710 0.75590894 0.57192968
0.77132493 0.84630598 0.63901289
0.90139918 0.05434219 0.85281359
0.00109841 0.03873820 0.90403733
0.04399754 0.91357958 0.93184358
0.81825993 0.20315674 0.35680739
0.73537878 0.34406823 0.46827803
0.76211459 0.67794346 0.27181731
0.84455325 0.53639322 0.16166114
0.19195491 0.13798995 0.14257202
0.00926736 0.13693763 0.12121912
0.00505657 0.45649174 0.31396472
0.18505392 0.46219456 0.33133220
0.49607102 0.65256124 0.15317842
0.45291593 0.50132532 0.28258329
0.23920292 0.34394449 0.04938667
0.28587610 0.49281538 0.91816142
0.57942733 0.03143679 -0.01630244
0.42205463 0.91542330 -0.03988055
0.59522199 0.55135503 0.97811414
0.75248706 0.66533000 0.00190960
0.44406740 0.32724762 0.38039423
0.33761309 0.26494545 0.41813688
0.33776819 0.43236132 0.38293596
0.45107872 0.17863706 0.25075249
0.34769064 0.14841158 0.15522459
0.35045122 0.09670561 0.28505352
0.84622547 0.73540763 0.84685044
0.57787216 0.86116459 0.76863895
0.51376391 0.69956650 0.64251327
0.84283882 0.88653764 0.63794134
0.86511212 0.14998566 0.82776227
0.04468486 0.12202191 0.92055577
0.20772426 0.66973591 0.02261356
0.74477741 0.90532468 0.00744799
0.89221216 0.28454405 0.20084307
0.41252112 0.66630358 0.95012709
0.21901602 0.92702441 0.01532913
0.03344090 0.57345725 -0.05487848
0.74759148 0.96835373 0.78228126
0.56476906 0.53148038 0.47395122
0.86469703 0.71558876 0.47180341
0.14606128 0.73036816 0.99287953
0.71845796 0.60463527 0.45016554
No title
1
13.598991 0.367786 -1.286169
0.413146 10.369723 0.244313
-1.324115 0.460189 13.264645
C H O N
43 30 7 2
Direct configuration= 411
0.74660510 0.51981620 0.37814880
0.75846272 0.38584648 0.40067697
0.80469231 0.30702981 0.33900144
0.77382983 0.57370740 0.28989494
0.81958475 0.49526482 0.22837228
0.83896420 0.36313628 0.25578939
-0.00522156 0.29638164 0.21474434
0.04864705 0.20829866 0.16672574
0.15239870 0.21004678 0.17977332
0.04497611 0.38733252 0.27454950
0.14851830 0.38907470 0.28491310
0.20499598 0.30032600 0.23932365
0.31911548 0.30539239 0.25388245
0.34373710 0.40776431 0.17653160
0.41523399 0.49734472 0.20327822
0.44040027 0.58400381 0.13011467
0.29719123 0.40946822 0.07299271
0.32201735 0.49382392 -0.00148426
0.39419950 0.58170616 0.02733645
0.50106185 0.72812360 -0.03202674
0.49503078 0.86288165 -0.03089054
0.58344922 0.92623646 -0.01676416
0.59319205 0.65649671 -0.02049599
0.68053607 0.72125752 -0.00597925
0.67609598 0.85582467 -0.00365581
0.36231599 0.33448082 0.36522812
0.36955927 0.17405676 0.23455459
0.14721785 0.86582723 0.98494381
0.05378542 0.68648198 -0.05014649
0.98819588 0.80659571 0.91085891
0.88902304 0.81984898 0.86168796
0.84669343 0.94636581 0.83162440
0.71314972 0.88126837 0.71053620
0.62015560 0.83133041 0.71102296
0.58482905 0.74080744 0.64100368
0.64440317 0.70190517 0.57259574
0.63255737 0.60245518 0.49538893
0.78405227 0.69594936 0.49382122
0.73519958 0.75600907 0.57179369
0.77127793 0.84646273 0.63887102
0.90140965 0.05455617 0.85301543
0.00106286 0.03899986 0.90440196
0.04403486 0.91388963 0.93209058
0.81806857 0.20311667 0.35685762
0.73522653 0.34408440 0.46828371
0.76211667 0.67778965 0.27162791
0.84453269 0.53612307 0.16155521
0.19187069 0.13755528 0.14266909
0.00914857 0.13644440 0.12141844
0.00520113 0.45632774 0.31402026
0.18525748 0.46206819 0.33132265
0.49615200 0.65245541 0.15313531
0.45312550 0.50112881 0.28256242
0.23908590 0.34377493 0.04934991
0.28565498 0.49276165 0.91808700
0.57932593 0.03166902 -0.01623874
0.42192479 0.91539718 -0.03976202
0.59523632 0.55158096 0.97810988
0.75254819 0.66582997 0.00185725
0.44433757 0.32697353 0.38039662
0.33780276 0.26467001 0.41822260
0.33806556 0.43215692 0.38304294
0.45113545 0.17830271 0.25069725
0.34759604 0.14819876 0.15518474
0.35042382 0.09646541 0.28502444
0.84623169 0.73561416 0.84676185
0.57775923 0.86120852 0.76842586
0.51356895 0.69964993 0.64227064
0.84286118 0.88667989 0.63785081
0.86516392 0.15013154 0.82813862
0.04464243 0.12226298 0.92117276
0.20790617 0.67015881 0.02263798
0.74475122 0.90574782 0.00740940
0.89210065 0.28430757 0.20092735
0.41242961 0.66628466 0.95006576
0.21903590 0.92744085 0.01563786
0.03359955 0.57376671 -0.05511808
0.74757691 0.96846643 0.78225623
0.56465714 0.53140184 0.47377281
0.86476003 0.71576938 0.47168095
0.14620200 0.73071613 0.99287677
0.71832529 0.60456407 0.45001950
No title
1
13.587888 0.357853 -1.290336
0.404732 10.372761 0.240668
-1.328246 0.457124 13.255189
C H O N
43 30 7 2
Direct configuration= 412
0.74651600 0.51964563 0.37797933
0.75818604 0.38582846 0.40067859
0.80446040 0.30693757 0.33905797
0.77379272 0.57333970 0.28972043
0.81958362 0.49465202 0.22821097
0.83876944 0.36267080 0.25587619
-0.00518434 0.29584821 0.21497623
0.04846073 0.20754241 0.16699024
0.15221414 0.20929790 0.17995047
0.04526974 0.38689122 0.27470275
0.14872874 0.38858305 0.28489302
0.20513621 0.29975362 0.23931256
0.31940340 0.30491449 0.25392583
0.34386281 0.40745299 0.17647443
0.41556212 0.49686822 0.20335006
0.44051719 0.58383935 0.13006220
0.29711880 0.40896993 0.07287682
0.32185571 0.49366491 -0.00159320
0.39419352 0.58150669 0.02720386
0.50087148 0.72834969 -0.03205942
0.49484712 0.86296379 -0.03082658
0.58322609 0.92692104 -0.01674020
0.59310753 0.65705431 -0.02058867
0.68065575 0.72202551 -0.00606399
0.67606385 0.85666143 -0.00363506
0.36279132 0.33386988 0.36531058
0.36959015 0.17343520 0.23447540
0.14730574 0.86654812 0.98534835
0.05405321 0.68724040 -0.05034274
0.98830205 0.80726064 0.91103418
0.88900270 0.82028481 0.86160261
0.84669050 0.94670164 0.83168704
0.71303706 0.88146557 0.71031677
0.61994126 0.83148565 0.71060405
0.58456423 0.74087981 0.64054222
0.64421905 0.70200841 0.57221765
0.63220799 0.60258930 0.49508131
0.78407685 0.69624885 0.49351293
0.73519020 0.75630913 0.57149103
0.77123753 0.84687499 0.63859259
0.90141227 0.05492889 0.85350133
0.00117344 0.03949177 0.90525598
0.04405349 0.91451341 0.93262345
0.81766573 0.20295194 0.35700189
0.73488834 0.34411868 0.46830312
0.76212411 0.67743448 0.27121125
0.84449744 0.53558255 0.16128641
0.19167326 0.13665910 0.14292751
0.00887184 0.13537200 0.12184478
0.00550553 0.45594029 0.31410566
0.18568108 0.46174190 0.33127480
0.49636050 0.65229477 0.15307804
0.45362008 0.50069579 0.28257685
0.23888609 0.34341431 0.04927216
0.28523463 0.49265056 0.91804024
0.57913266 0.03206129 -0.01605797
0.42160071 0.91537202 -0.03949358
0.59529980 0.55201472 0.97809076
0.75267814 0.66695088 0.00179387
0.44496187 0.32635925 0.38041201
0.33822612 0.26400942 0.41844718
0.33877878 0.43161122 0.38330403
0.45128135 0.17757784 0.25057224
0.34737611 0.14772295 0.15505745
0.35037504 0.09585402 0.28499748
0.84622486 0.73608098 0.84652272
0.57752626 0.86129744 0.76791596
0.51316614 0.69983688 0.64173845
0.84290744 0.88695710 0.63762693
0.86518238 0.15066687 0.82892563
0.04451573 0.12286120 0.92250792
0.20833708 0.67098195 0.02271084
0.74467588 0.90668979 0.00734705
0.89189077 0.28382372 0.20110197
0.41233403 0.66629029 0.94999951
0.21926071 0.92849271 0.01640203
0.03391576 0.57427245 -0.05561879
0.74750525 0.96860408 0.78211275
0.56446384 0.53120974 0.47333995
0.86479389 0.71622625 0.47143618
0.14648636 0.73145621 0.99290606
0.71807285 0.60446503 0.44964618
No title
1
13.582116 0.352689 -1.292503
0.400358 10.374341 0.238774
-1.330394 0.455531 13.250273
C H O N
43 30 7 2
Direct configuration= 413
0.74646955 0.51955693 0.37789111
0.75804208 0.38581896 0.40067937
0.80433972 0.30688953 0.33908732
0.77377326 0.57314856 0.28962957
0.81958279 0.49433353 0.22812693
0.83866797 0.36242881 0.25592122
-0.00516511 0.29557105 0.21509679
0.04836357 0.20714934 0.16712767
0.15211789 0.20890864 0.18004246
0.04542240 0.38666204 0.27478246
0.14883805 0.38832764 0.28488253
0.20520898 0.29945623 0.23930672
0.31955305 0.30466627 0.25394838
0.34392810 0.40729125 0.17644466
0.41573270 0.49662075 0.20338741
0.44057796 0.58375393 0.13003490
0.29708092 0.40871092 0.07281642
0.32177153 0.49358219 -0.00164994
0.39419031 0.58140300 0.02713484
0.50077249 0.72846710 -0.03207642
0.49475161 0.86300640 -0.03079333
0.58311024 0.92727671 -0.01672765
0.59306374 0.65734404 -0.02063681
0.68071827 0.72242468 -0.00610792
0.67604743 0.85709628 -0.00362412
0.36303843 0.33355262 0.36535347
0.36960598 0.17311218 0.23443410
0.14735180 0.86692285 0.98555895
0.05419277 0.68763464 -0.05044464
0.98835756 0.80760628 0.91112550
0.88899225 0.82051129 0.86155828
0.84668911 0.94687617 0.83171969
0.71297847 0.88156798 0.71020262
0.61982972 0.83156617 0.71038609
0.58442637 0.74091724 0.64030210
0.64412322 0.70206193 0.57202093
0.63202619 0.60265879 0.49492123
0.78408969 0.69640446 0.49335260
0.73518537 0.75646502 0.57133363
0.77121660 0.84708919 0.63844781
0.90141385 0.05512265 0.85375419
0.00123131 0.03974757 0.90570041
0.04406350 0.91483766 0.93290080
0.81745610 0.20286616 0.35707684
0.73471239 0.34413633 0.46831317
0.76212778 0.67724985 0.27099441
0.84447886 0.53530159 0.16114646
0.19157028 0.13619330 0.14306176
0.00872757 0.13481460 0.12206633
0.00566380 0.45573909 0.31415007
0.18590135 0.46157253 0.33124993
0.49646892 0.65221138 0.15304825
0.45387727 0.50047099 0.28258438
0.23878199 0.34322679 0.04923161
0.28501587 0.49259262 0.91801581
0.57903227 0.03226509 -0.01596388
0.42143213 0.91535883 -0.03935398
0.59533297 0.55224017 0.97808090
0.75274612 0.66753346 0.00176113
0.44528648 0.32604031 0.38042002
0.33844621 0.26366635 0.41856399
0.33914973 0.43132800 0.38343990
0.45135699 0.17720118 0.25050710
0.34726150 0.14747555 0.15499110
0.35034944 0.09553625 0.28498333
0.84622142 0.73632354 0.84639839
0.57740498 0.86134348 0.76765065
0.51295652 0.69993377 0.64146153
0.84293156 0.88710116 0.63751052
0.86519232 0.15094519 0.82933517
0.04445026 0.12317220 0.92320263
0.20856159 0.67140994 0.02274897
0.74463699 0.90717928 0.00731476
0.89178144 0.28357218 0.20119269
0.41228429 0.66629317 0.94996503
0.21937818 0.92903956 0.01679983
0.03408036 0.57453537 -0.05587914
0.74746799 0.96867556 0.78203812
0.56436312 0.53110976 0.47311468
0.86481162 0.71646368 0.47130893
0.14663457 0.73184096 0.99292148
0.71794140 0.60441340 0.44945189
No title
1
13.570814 0.342698 -1.296555
0.391894 10.376810 0.234945
-1.334371 0.452201 13.240996
C H O N
43 30 7 2
Direct configuration= 414
0.74633546 0.51937577 0.37777510
0.75785007 0.38572533 0.40063925
0.80405290 0.30681426 0.33924647
0.77373334 0.57292770 0.28940769
0.81956820 0.49384180 0.22797886
0.83843604 0.36200346 0.25598436
-0.00524146 0.29500734 0.21529020
0.04819749 0.20633958 0.16738441
0.15204799 0.20810399 0.18019374
0.04558089 0.38625630 0.27490931
0.14914197 0.38795307 0.28494583
0.20533424 0.29893162 0.23928348
0.31979172 0.30415494 0.25399606
0.34405833 0.40687653 0.17640498
0.41600254 0.49625387 0.20328649
0.44065862 0.58350421 0.12998056
0.29702052 0.40837618 0.07261091
0.32154599 0.49335246 -0.00174047
0.39418929 0.58115159 0.02703837
0.50060798 0.72870275 -0.03211707
0.49458620 0.86319077 -0.03073080
0.58288588 0.92771892 -0.01670723
0.59302989 0.65785506 -0.02067317
0.68071830 0.72318842 -0.00624323
0.67593316 0.85789222 -0.00362006
0.36344951 0.33307545 0.36545800
0.36966652 0.17256113 0.23440570
0.14754310 0.86780026 0.98600119
0.05443096 0.68817267 -0.05067823
0.98838426 0.80826823 0.91130996
0.88907449 0.82095135 0.86150895
0.84663341 0.94713496 0.83174480
0.71286175 0.88172971 0.70995617
0.61970222 0.83172951 0.70994534
0.58414447 0.74097629 0.63988885
0.64398093 0.70219141 0.57168297
0.63168067 0.60271421 0.49456029
0.78403623 0.69652597 0.49299540
0.73516323 0.75673598 0.57101349
0.77119505 0.84748358 0.63822860
0.90144307 0.05549404 0.85427796
0.00131973 0.04019383 0.90646301
0.04413564 0.91536925 0.93343870
0.81708598 0.20273592 0.35722801
0.73438718 0.34418210 0.46833546
0.76214368 0.67682518 0.27062318
0.84445008 0.53478407 0.16089976
0.19135164 0.13541980 0.14334877
0.00845715 0.13386285 0.12247846
0.00594419 0.45536283 0.31420569
0.18626385 0.46118010 0.33115353
0.49670747 0.65214008 0.15303692
0.45439445 0.50005780 0.28270434
0.23860378 0.34284779 0.04913899
0.28465650 0.49249621 0.91801219
0.57885184 0.03269624 -0.01576595
0.42115547 0.91530280 -0.03909523
0.59540816 0.55269309 0.97804921
0.75292492 0.66854957 0.00174790
0.44584577 0.32545266 0.38043708
0.33887441 0.26306986 0.41874824
0.33987621 0.43068038 0.38369699
0.45149734 0.17652690 0.25038108
0.34704141 0.14700178 0.15480988
0.35031485 0.09493531 0.28496697
0.84617411 0.73671505 0.84612133
0.57716438 0.86144768 0.76718589
0.51259524 0.70009548 0.64095579
0.84300780 0.88737470 0.63728796
0.86515850 0.15152135 0.83005757
0.04434489 0.12382148 0.92444815
0.20892515 0.67216015 0.02279592
0.74460934 0.90812254 0.00728929
0.89170815 0.28310265 0.20134514
0.41220246 0.66629668 0.94993744
0.21949892 0.92991611 0.01748091
0.03439379 0.57520225 -0.05632979
0.74739033 0.96876851 0.78187532
0.56411309 0.53088506 0.47268991
0.86480987 0.71693539 0.47106727
0.14695431 0.73253394 0.99300112
0.71784892 0.60461373 0.44918120
No title
1
13.562515 0.335361 -1.299531
0.385678 10.378624 0.232133
-1.337293 0.449756 13.234183
C H O N
43 30 7 2
Direct configuration= 415
0.74623680 0.51924267 0.37768977
0.75770889 0.38565646 0.40060968
0.80384211 0.30675884 0.33936334
0.77370383 0.57276548 0.28924456
0.81955719 0.49348075 0.22786992
0.83826538 0.36169105 0.25603058
-0.00529780 0.29459348 0.21543217
0.04807510 0.20574504 0.16757282
0.15199626 0.20751325 0.18030468
0.04569722 0.38595855 0.27500246
0.14936517 0.38767831 0.28499234
0.20542603 0.29854657 0.23926629
0.31996690 0.30377972 0.25403103
0.34415384 0.40657214 0.17637575
0.41620066 0.49598468 0.20321230
0.44071776 0.58332093 0.12994059
0.29697590 0.40813035 0.07245977
0.32138008 0.49318363 -0.00180712
0.39418838 0.58096700 0.02696740
0.50048717 0.72887564 -0.03214693
0.49446474 0.86332603 -0.03068485
0.58272120 0.92804343 -0.01669217
0.59300526 0.65823020 -0.02069977
0.68071865 0.72374910 -0.00634247
0.67584957 0.85847648 -0.00361690
0.36375143 0.33272544 0.36553481
0.36971073 0.17215662 0.23438471
0.14768424 0.86844462 0.98632647
0.05460622 0.68856778 -0.05084968
0.98840425 0.80875426 0.91144571
0.88913515 0.82127446 0.86147284
0.84659260 0.94732493 0.83176331
0.71277599 0.88184832 0.70977506
0.61960848 0.83184925 0.70962145
0.58393721 0.74101937 0.63958510
0.64387633 0.70228630 0.57143460
0.63142665 0.60275459 0.49429495
0.78399690 0.69661506 0.49273291
0.73514701 0.75693483 0.57077830
0.77117934 0.84777306 0.63806760
0.90146486 0.05576682 0.85466298
0.00138514 0.04052167 0.90702357
0.04418907 0.91575967 0.93383416
0.81681392 0.20264008 0.35733897
0.73414820 0.34421548 0.46835177
0.76215505 0.67651334 0.27035026
0.84442860 0.53440407 0.16071832
0.19119064 0.13485185 0.14355943
0.00825804 0.13316402 0.12278100
0.00615010 0.45508680 0.31424654
0.18653005 0.46089222 0.33108269
0.49688277 0.65208790 0.15302864
0.45477439 0.49975483 0.28279254
0.23847259 0.34256941 0.04907078
0.28439233 0.49242519 0.91800940
0.57871949 0.03301268 -0.01562043
0.42095216 0.91526153 -0.03890516
0.59546363 0.55302565 0.97802605
0.75305682 0.66929566 0.00173850
0.44625655 0.32502161 0.38044962
0.33918888 0.26263228 0.41888361
0.34040990 0.43020548 0.38388595
0.45160013 0.17603194 0.25028833
0.34687937 0.14665377 0.15467651
0.35028912 0.09449411 0.28495478
0.84613946 0.73700238 0.84591782
0.57698748 0.86152393 0.76684430
0.51232965 0.70021385 0.64058407
0.84306391 0.88757553 0.63712450
0.86513411 0.15194446 0.83058858
0.04426810 0.12429832 0.92536361
0.20919274 0.67271118 0.02283072
0.74458947 0.90881501 0.00727081
0.89165409 0.28275792 0.20145703
0.41214231 0.66629919 0.94991714
0.21958827 0.93055985 0.01798169
0.03462437 0.57569196 -0.05666070
0.74733326 0.96883667 0.78175569
0.56392910 0.53071984 0.47237762
0.86480874 0.71728165 0.47088979
0.14718966 0.73304293 0.99305991
0.71778098 0.60476068 0.44898230
No title
1
13.552068 0.326037 -1.303513
0.377830 10.380531 0.228999
-1.341207 0.447189 13.225695
C H O N
43 30 7 2
Direct configuration= 416
0.74608539 0.51923970 0.37752880
0.75748703 0.38561067 0.40071389
0.80359246 0.30640522 0.33952554
0.77369718 0.57240083 0.28900887
0.81947606 0.49320367 0.22776882
0.83808688 0.36141950 0.25597747
-0.00538527 0.29400259 0.21559699
0.04794633 0.20496821 0.16786286
0.15198594 0.20685718 0.18051479
0.04579517 0.38549939 0.27504570
0.14962648 0.38724438 0.28501252
0.20550839 0.29808158 0.23928418
0.32013464 0.30323090 0.25402001
0.34430266 0.40601719 0.17628469
0.41645333 0.49568399 0.20317407
0.44089965 0.58312796 0.12988932
0.29691866 0.40787489 0.07236776
0.32118622 0.49297921 -0.00188603
0.39415465 0.58069998 0.02690497
0.50046445 0.72910755 -0.03216421
0.49419238 0.86362125 -0.03064088
0.58257695 0.92831355 -0.01664276
0.59304320 0.65863726 -0.02069629
0.68061611 0.72456146 -0.00648724
0.67570536 0.85911700 -0.00365404
0.36419930 0.33218836 0.36571454
0.36975482 0.17165795 0.23436337
0.14783823 0.86912020 0.98676627
0.05485681 0.68922945 -0.05103895
0.98847182 0.80914705 0.91165459
0.88917258 0.82165360 0.86140685
0.84655664 0.94765484 0.83179224
0.71276244 0.88202345 0.70946879
0.61940494 0.83197143 0.70923567
0.58374484 0.74112266 0.63919057
0.64371869 0.70242911 0.57112698
0.63126450 0.60278914 0.49391277
0.78384702 0.69670808 0.49243367
0.73504299 0.75713271 0.57046048
0.77115851 0.84800873 0.63782047
0.90142169 0.05623649 0.85516315
0.00137151 0.04101956 0.90766146
0.04436376 0.91631034 0.93438282
0.81646923 0.20263231 0.35749820
0.73385312 0.34429543 0.46834577
0.76216971 0.67612149 0.27002005
0.84441071 0.53386529 0.16052515
0.19101798 0.13408801 0.14381139
0.00796952 0.13231904 0.12315602
0.00636524 0.45479120 0.31430686
0.18690038 0.46055385 0.33101462
0.49708379 0.65202394 0.15304300
0.45524190 0.49936531 0.28286912
0.23830463 0.34216514 0.04893743
0.28404147 0.49233861 0.91792860
0.57853793 0.03345275 -0.01541308
0.42075810 0.91515471 -0.03866442
0.59554081 0.55356652 0.97797987
0.75323415 0.67022488 0.00176311
0.44667706 0.32447307 0.38045988
0.33963452 0.26217507 0.41897704
0.34110153 0.42957707 0.38415468
0.45174440 0.17542280 0.25016603
0.34668470 0.14619085 0.15449664
0.35027960 0.09396977 0.28491971
0.84609444 0.73734603 0.84561016
0.57676053 0.86165143 0.76642614
0.51196775 0.70030885 0.64011011
0.84319981 0.88788752 0.63692361
0.86511412 0.15235778 0.83128193
0.04419849 0.12495537 0.92649449
0.20946698 0.67340877 0.02283793
0.74458133 0.90974741 0.00728476
0.89158334 0.28228443 0.20160456
0.41197059 0.66623594 0.94991067
0.21978343 0.93142852 0.01864159
0.03486397 0.57625563 -0.05709790
0.74727369 0.96895671 0.78164108
0.56358057 0.53046006 0.47195949
0.86481716 0.71772644 0.47061372
0.14750024 0.73378520 0.99314449
0.71776803 0.60505060 0.44874906
No title
1
13.546736 0.321277 -1.305546
0.373824 10.381505 0.227399
-1.343206 0.445879 13.221362
C H O N
43 30 7 2
Direct configuration= 417
0.74600800 0.51923811 0.37744654
0.75737369 0.38558722 0.40076707
0.80346484 0.30622466 0.33960829
0.77369363 0.57221471 0.28888841
0.81943450 0.49306221 0.22771712
0.83799559 0.36128083 0.25595026
-0.00543012 0.29370100 0.21568107
0.04788035 0.20457172 0.16801087
0.15198050 0.20652237 0.18062201
0.04584508 0.38526509 0.27506773
0.14975984 0.38702303 0.28502282
0.20555032 0.29784430 0.23929326
0.32022015 0.30295088 0.25401433
0.34437850 0.40573402 0.17623811
0.41658231 0.49553063 0.20315454
0.44099251 0.58302954 0.12986313
0.29688932 0.40774448 0.07232071
0.32108710 0.49287478 -0.00192640
0.39413732 0.58056368 0.02687304
0.50045291 0.72922589 -0.03217300
0.49405334 0.86377181 -0.03061842
0.58250336 0.92845135 -0.01661750
0.59306271 0.65884503 -0.02069444
0.68056395 0.72497600 -0.00656109
0.67563188 0.85944383 -0.00367294
0.36442796 0.33191447 0.36580636
0.36977718 0.17140346 0.23435241
0.14791719 0.86946510 0.98699106
0.05498500 0.68956723 -0.05113549
0.98850651 0.80934758 0.91176137
0.88919182 0.82184711 0.86137321
0.84653838 0.94782320 0.83180706
0.71275553 0.88211279 0.70931237
0.61930093 0.83203366 0.70903859
0.58364653 0.74117525 0.63898902
0.64363815 0.70250189 0.57096983
0.63118160 0.60280667 0.49371751
0.78377043 0.69675546 0.49228080
0.73498986 0.75723362 0.57029815
0.77114789 0.84812896 0.63769426
0.90139987 0.05647623 0.85541870
0.00136482 0.04127373 0.90798737
0.04445328 0.91659151 0.93466320
0.81629316 0.20262821 0.35757947
0.73370240 0.34433611 0.46834266
0.76217701 0.67592147 0.26985132
0.84440137 0.53359028 0.16042639
0.19092957 0.13369812 0.14393995
0.00782192 0.13188771 0.12334741
0.00647507 0.45464043 0.31433767
0.18708946 0.46038131 0.33097987
0.49718647 0.65199139 0.15305036
0.45548063 0.49916673 0.28290827
0.23821868 0.34195872 0.04886922
0.28386219 0.49229426 0.91788725
0.57844536 0.03367729 -0.01530712
0.42065896 0.91510013 -0.03854149
0.59558040 0.55384260 0.97795637
0.75332505 0.67069920 0.00177585
0.44689172 0.32419330 0.38046512
0.33986205 0.26194193 0.41902478
0.34145472 0.42925669 0.38429198
0.45181790 0.17511197 0.25010348
0.34658507 0.14595449 0.15440464
0.35027456 0.09370216 0.28490172
0.84607150 0.73752137 0.84545305
0.57664456 0.86171635 0.76621251
0.51178281 0.70035712 0.63986796
0.84326929 0.88804679 0.63682106
0.86510417 0.15256879 0.83163616
0.04416334 0.12529080 0.92707226
0.20960731 0.67376491 0.02284178
0.74457747 0.91022327 0.00729203
0.89154707 0.28204276 0.20167984
0.41188285 0.66620358 0.94990731
0.21988352 0.93187202 0.01897885
0.03498647 0.57654336 -0.05732109
0.74724328 0.96901795 0.78158255
0.56340236 0.53032728 0.47174580
0.86482156 0.71795342 0.47047276
0.14765915 0.73416417 0.99318786
0.71776146 0.60519853 0.44862995
No title
1
13.535827 0.311240 -1.309749
0.365510 10.382524 0.225054
-1.347259 0.444325 13.213693
C H O N
43 30 7 2
Direct configuration= 418
0.74588377 0.51924781 0.37726328
0.75716017 0.38564046 0.40085697
0.80322022 0.30606100 0.33963286
0.77363942 0.57187186 0.28870559
0.81937033 0.49273775 0.22756424
0.83783693 0.36101180 0.25594264
-0.00545461 0.29307220 0.21583838
0.04779990 0.20381489 0.16835068
0.15191883 0.20593055 0.18085880
0.04596048 0.38479352 0.27508321
0.14988418 0.38654583 0.28500134
0.20566333 0.29737870 0.23937255
0.32037885 0.30238272 0.25399567
0.34462246 0.40514982 0.17616650
0.41682961 0.49519639 0.20320581
0.44126033 0.58283073 0.12986255
0.29676111 0.40739896 0.07231290
0.32092696 0.49270928 -0.00201995
0.39409209 0.58034438 0.02682417
0.50041833 0.72946715 -0.03217727
0.49383435 0.86393279 -0.03057158
0.58232483 0.92888395 -0.01654428
0.59308290 0.65928530 -0.02069209
0.68059157 0.72567341 -0.00666305
0.67560261 0.86008387 -0.00372905
0.36488748 0.33132037 0.36592708
0.36979242 0.17089164 0.23426248
0.14815797 0.87008920 0.98749766
0.05521424 0.69017727 -0.05125875
0.98865192 0.80969218 0.91197082
0.88917823 0.82218588 0.86128945
0.84656819 0.94824095 0.83188452
0.71273272 0.88230605 0.70899226
0.61909868 0.83217698 0.70869615
0.58341301 0.74128446 0.63860266
0.64344846 0.70257684 0.57059152
0.63095229 0.60267779 0.49330896
0.78378151 0.69704833 0.49203698
0.73482352 0.75738170 0.56997795
0.77121578 0.84827926 0.63738599
0.90127801 0.05693307 0.85590614
0.00135361 0.04184947 0.90862310
0.04456603 0.91716945 0.93516549
0.81597892 0.20251741 0.35779164
0.73339345 0.34442195 0.46839419
0.76219797 0.67552298 0.26954297
0.84439016 0.53302318 0.16027510
0.19080817 0.13289245 0.14416617
0.00750632 0.13107596 0.12370258
0.00665698 0.45437035 0.31438694
0.18749397 0.46009020 0.33094421
0.49736610 0.65192821 0.15308161
0.45590095 0.49878276 0.28290258
0.23807829 0.34155688 0.04870409
0.28348637 0.49220803 0.91771302
0.57826612 0.03400673 -0.01508596
0.42041710 0.91503051 -0.03832142
0.59566726 0.55440825 0.97789958
0.75339711 0.67168560 0.00181045
0.44727491 0.32364224 0.38048317
0.34031887 0.26151548 0.41909804
0.34212545 0.42867531 0.38459018
0.45196054 0.17454005 0.24998021
0.34642450 0.14548648 0.15427338
0.35028634 0.09323039 0.28484638
0.84604050 0.73785984 0.84510690
0.57641371 0.86187869 0.76582768
0.51144450 0.70041422 0.63939561
0.84341256 0.88837619 0.63663036
0.86508325 0.15288726 0.83232972
0.04409825 0.12592347 0.92813564
0.20983668 0.67446136 0.02282149
0.74450012 0.91112185 0.00732518
0.89136202 0.28156743 0.20181580
0.41168911 0.66613158 0.94990045
0.22012108 0.93273910 0.01964121
0.03520978 0.57716961 -0.05776665
0.74720505 0.96918387 0.78149409
0.56320822 0.53026720 0.47136889
0.86469499 0.71833602 0.47019091
0.14793232 0.73494102 0.99325200
0.71767531 0.60532592 0.44830738
No title
1
13.525597 0.301827 -1.313691
0.357713 10.383480 0.222854
-1.351060 0.442868 13.206500
C H O N
43 30 7 2
Direct configuration= 419
0.74576712 0.51925679 0.37709126
0.75695983 0.38569021 0.40094127
0.80299054 0.30590733 0.33965580
0.77358827 0.57155031 0.28853392
0.81930984 0.49243344 0.22742068
0.83768785 0.36075939 0.25593537
-0.00547792 0.29248258 0.21598585
0.04772405 0.20310518 0.16866935
0.15186067 0.20537557 0.18108085
0.04606852 0.38435142 0.27509767
0.15000060 0.38609846 0.28498113
0.20576914 0.29694220 0.23944688
0.32052745 0.30185009 0.25397810
0.34485106 0.40460222 0.17609925
0.41706154 0.49488320 0.20325393
0.44151159 0.58264453 0.12986206
0.29664057 0.40707486 0.07230545
0.32077653 0.49255394 -0.00210783
0.39404948 0.58013871 0.02677824
0.50038601 0.72969336 -0.03218123
0.49362893 0.86408356 -0.03052766
0.58215755 0.92928945 -0.01647552
0.59310213 0.65969817 -0.02068978
0.68061789 0.72632740 -0.00675856
0.67557550 0.86068401 -0.00378157
0.36531846 0.33076369 0.36604040
0.36980639 0.17041170 0.23417798
0.14838451 0.87067469 0.98797329
0.05542973 0.69074949 -0.05137419
0.98878868 0.81001547 0.91216750
0.88916564 0.82250353 0.86121093
0.84659644 0.94863272 0.83195731
0.71271131 0.88248722 0.70869190
0.61890882 0.83231117 0.70837477
0.58319377 0.74138663 0.63824004
0.64327034 0.70264692 0.57023646
0.63073685 0.60255669 0.49292547
0.78379200 0.69732293 0.49180826
0.73466739 0.75752038 0.56967744
0.77127949 0.84842022 0.63709677
0.90116406 0.05736139 0.85636360
0.00134365 0.04238941 0.90921980
0.04467238 0.91771154 0.93563700
0.81568399 0.20241325 0.35799060
0.73310355 0.34450218 0.46844244
0.76221729 0.67514929 0.26925354
0.84437925 0.53249139 0.16013300
0.19069382 0.13213689 0.14437824
0.00720974 0.13031455 0.12403557
0.00682757 0.45411724 0.31443318
0.18787345 0.45981757 0.33091083
0.49753468 0.65186911 0.15311099
0.45629521 0.49842308 0.28289730
0.23794622 0.34117993 0.04854899
0.28313353 0.49212683 0.91754938
0.57809815 0.03431551 -0.01487842
0.42019012 0.91496504 -0.03811501
0.59574910 0.55493872 0.97784645
0.75346536 0.67261061 0.00184317
0.44763423 0.32312585 0.38050012
0.34074741 0.26111600 0.41916685
0.34275475 0.42813076 0.38487012
0.45209404 0.17400388 0.24986446
0.34627346 0.14504747 0.15415004
0.35029709 0.09278803 0.28479434
0.84601149 0.73817715 0.84478214
0.57619700 0.86203068 0.76546651
0.51112684 0.70046742 0.63895225
0.84354717 0.88868517 0.63645153
0.86506405 0.15318594 0.83298062
0.04403789 0.12651678 0.92913364
0.21005239 0.67511462 0.02280270
0.74442807 0.91196439 0.00735646
0.89118809 0.28112157 0.20194321
0.41150722 0.66606389 0.94989393
0.22034480 0.93355245 0.02026304
0.03541962 0.57775700 -0.05818454
0.74716925 0.96933942 0.78141112
0.56302584 0.53021065 0.47101511
0.86457634 0.71869465 0.46992646
0.14818921 0.73566972 0.99331245
0.71759441 0.60544526 0.44800468
No title
1
13.516871 0.293477 -1.317496
0.350845 10.384360 0.221356
-1.354730 0.442146 13.200648
C H O N
43 30 7 2
Direct configuration= 420
0.74567633 0.51918061 0.37698091
0.75681809 0.38573894 0.40091109
0.80274306 0.30596377 0.33966473
0.77352248 0.57134284 0.28834488
0.81926354 0.49205300 0.22729256
0.83757237 0.36050425 0.25596318
-0.00551254 0.29194364 0.21612731
0.04762298 0.20243456 0.16895119
0.15182808 0.20479499 0.18125750
0.04612619 0.38400743 0.27513972
0.15012499 0.38576832 0.28500654
0.20587769 0.29650895 0.23954324
0.32069886 0.30138459 0.25398710
0.34510842 0.40412576 0.17609852
0.41728202 0.49459047 0.20325864
0.44171349 0.58236593 0.12991306
0.29652908 0.40677128 0.07226504
0.32060193 0.49235242 -0.00218142
0.39404661 0.58002212 0.02677300
0.50027115 0.72983560 -0.03218683
0.49352019 0.86416456 -0.03047527
0.58201931 0.92968267 -0.01639730
0.59310218 0.66015517 -0.02070634
0.68070992 0.72687335 -0.00680298
0.67555436 0.86128610 -0.00384126
0.36566211 0.33030556 0.36604299
0.36982489 0.16996739 0.23406320
0.14863261 0.87129927 0.98843277
0.05560319 0.69124119 -0.05143360
0.98885837 0.81043115 0.91227521
0.88922392 0.82282096 0.86117422
0.84662359 0.94892785 0.83205091
0.71267287 0.88266096 0.70843458
0.61878840 0.83246578 0.70809087
0.58295317 0.74145577 0.63789133
0.64304504 0.70264704 0.56986425
0.63066564 0.60257076 0.49262788
0.78368803 0.69761413 0.49164343
0.73456087 0.75764621 0.56939910
0.77135447 0.84855594 0.63685570
0.90111499 0.05770346 0.85681745
0.00134245 0.04287031 0.90979386
0.04469577 0.91821769 0.93602824
0.81543049 0.20226152 0.35819884
0.73282581 0.34458319 0.46853740
0.76223730 0.67480703 0.26899957
0.84438351 0.53201508 0.15999473
0.19059302 0.13147386 0.14458595
0.00693918 0.12964347 0.12434377
0.00698875 0.45384697 0.31443637
0.18820368 0.45953782 0.33086276
0.49771084 0.65184849 0.15315904
0.45664437 0.49809462 0.28288798
0.23782248 0.34081771 0.04839134
0.28280552 0.49205306 0.91737283
0.57794149 0.03457329 -0.01467993
0.41993122 0.91493375 -0.03794271
0.59582763 0.55538263 0.97779336
0.75349892 0.67346756 0.00187611
0.44801759 0.32263578 0.38052974
0.34112554 0.26069629 0.41926488
0.34331899 0.42763897 0.38513228
0.45219310 0.17353961 0.24975196
0.34615343 0.14462975 0.15405435
0.35031438 0.09239872 0.28473905
0.84598023 0.73845394 0.84445210
0.57599317 0.86219781 0.76516311
0.51085139 0.70049363 0.63854530
0.84366737 0.88896221 0.63628461
0.86500826 0.15347795 0.83355907
0.04398622 0.12704697 0.93000499
0.21023615 0.67572604 0.02277331
0.74434128 0.91272676 0.00739647
0.89097514 0.28070206 0.20203692
0.41138255 0.66605219 0.94986970
0.22057918 0.93427606 0.02084374
0.03561303 0.57829925 -0.05857240
0.74714516 0.96950760 0.78131817
0.56279905 0.53010115 0.47065761
0.86457782 0.71904697 0.46964366
0.14842729 0.73627408 0.99337272
0.71744466 0.60544553 0.44767912
No title
1
13.490975 0.268697 -1.328789
0.330460 10.386974 0.216909
-1.365620 0.440002 13.183279
C H O N
43 30 7 2
Direct configuration= 421
0.74540650 0.51895431 0.37665312
0.75639721 0.38588320 0.40082135
0.80200819 0.30613070 0.33969102
0.77332659 0.57072697 0.28778341
0.81912533 0.49092393 0.22691189
0.83722906 0.35974684 0.25604553
-0.00561606 0.29034424 0.21654705
0.04732204 0.20044428 0.16978761
0.15173055 0.20307204 0.18178168
0.04629694 0.38298677 0.27526449
0.15049389 0.38478890 0.28508196
0.20619948 0.29522349 0.23982925
0.32120717 0.30000360 0.25401378
0.34587198 0.40271245 0.17609637
0.41793634 0.49372228 0.20327271
0.44231269 0.58153964 0.13006459
0.29619745 0.40587015 0.07214480
0.32008302 0.49175398 -0.00240021
0.39403789 0.57967614 0.02675740
0.49993026 0.73025747 -0.03220354
0.49319746 0.86440469 -0.03031976
0.58160947 0.93084927 -0.01616496
0.59310305 0.66151135 -0.02075530
0.68098405 0.72849371 -0.00693451
0.67549249 0.86307276 -0.00401821
0.36668196 0.32894681 0.36605082
0.36987904 0.16864888 0.23372220
0.14937083 0.87315338 0.98979766
0.05611904 0.69270074 -0.05160960
0.98906610 0.81166484 0.91259532
0.88939745 0.82376308 0.86106541
0.84670476 0.94980373 0.83232902
0.71255874 0.88317643 0.70767054
0.61843077 0.83292427 0.70724787
0.58223842 0.74166035 0.63685571
0.64237559 0.70264683 0.56875884
0.63045390 0.60261232 0.49174419
0.78337954 0.69847800 0.49115407
0.73424449 0.75801933 0.56857257
0.77157715 0.84895883 0.63614006
0.90097021 0.05871850 0.85816518
0.00134019 0.04429748 0.91149866
0.04476640 0.91971983 0.93719022
0.81467758 0.20181071 0.35881684
0.73200120 0.34482295 0.46881912
0.76229595 0.67379138 0.26824530
0.84439529 0.53060161 0.15958391
0.19029284 0.12950608 0.14520227
0.00613492 0.12765142 0.12525829
0.00746699 0.45304530 0.31444587
0.18918390 0.45870837 0.33072020
0.49823404 0.65178769 0.15330188
0.45768076 0.49712068 0.28286048
0.23745428 0.33974251 0.04792293
0.28183112 0.49183336 0.91684822
0.57747680 0.03533794 -0.01409062
0.41916244 0.91484035 -0.03743137
0.59606149 0.55670010 0.97763604
0.75359996 0.67601067 0.00197437
0.44915536 0.32118238 0.38061780
0.34224796 0.25945164 0.41955614
0.34499417 0.42618090 0.38591101
0.45248644 0.17216208 0.24941778
0.34579623 0.14338986 0.15376989
0.35036505 0.09124348 0.28457470
0.84588749 0.73927522 0.84347222
0.57538780 0.86269327 0.76426211
0.51003300 0.70057076 0.63733669
0.84402461 0.88978460 0.63578924
0.86484358 0.15434447 0.83527676
0.04383444 0.12862031 0.93259251
0.21078282 0.67754085 0.02268655
0.74408476 0.91498896 0.00751557
0.89034213 0.27945668 0.20231475
0.41101228 0.66601718 0.94979765
0.22127691 0.93642403 0.02256858
0.03618791 0.57990880 -0.05972359
0.74707378 0.97000661 0.78104227
0.56212501 0.52977564 0.46959581
0.86458248 0.72009246 0.46880413
0.14913534 0.73806808 0.99355221
0.71699963 0.60544595 0.44671232
No title
1
13.504286 0.281434 -1.322984
0.340938 10.385631 0.219195
-1.360022 0.441104 13.192207
C H O N
43 30 7 2
Direct configuration= 422
0.74554580 0.51907093 0.37682204
0.75661389 0.38580958 0.40086772
0.80238650 0.30604579 0.33967783
0.77342825 0.57104369 0.28807267
0.81919761 0.49150428 0.22710819
0.83740644 0.36013642 0.25600352
-0.00556166 0.29116616 0.21633147
0.04747823 0.20146726 0.16935776
0.15178191 0.20395743 0.18151237
0.04620976 0.38351101 0.27520044
0.15030466 0.38529172 0.28504320
0.20603465 0.29588361 0.23968220
0.32094649 0.30071260 0.25400014
0.34547988 0.40343776 0.17609744
0.41760005 0.49416761 0.20326535
0.44200469 0.58196350 0.12998649
0.29636902 0.40633358 0.07220709
0.32035085 0.49206210 -0.00228717
0.39404267 0.57985393 0.02676552
0.50010549 0.73004110 -0.03219487
0.49336340 0.86428167 -0.03039970
0.58181949 0.93025030 -0.01628464
0.59310154 0.66081450 -0.02073045
0.68084163 0.72766080 -0.00686737
0.67552300 0.86215479 -0.00392756
0.36615782 0.32964378 0.36604661
0.36985238 0.16932633 0.23389803
0.14898848 0.87219972 0.98909426
0.05585228 0.69195018 -0.05151966
0.98895797 0.81103066 0.91243013
0.88930737 0.82327879 0.86112108
0.84666211 0.94935356 0.83218561
0.71261747 0.88291175 0.70806373
0.61861499 0.83268916 0.70768185
0.58260686 0.74155614 0.63738909
0.64272090 0.70264780 0.56932817
0.63056334 0.60259127 0.49219914
0.78353795 0.69803451 0.49140590
0.73440753 0.75782803 0.56899807
0.77146249 0.84875160 0.63650819
0.90104330 0.05819702 0.85747129
0.00133937 0.04356405 0.91062080
0.04472825 0.91894782 0.93659170
0.81506540 0.20204320 0.35849925
0.73242555 0.34470071 0.46867449
0.76226693 0.67431323 0.26863377
0.84439056 0.53132791 0.15979572
0.19044872 0.13051751 0.14488570
0.00655028 0.12867589 0.12478850
0.00722134 0.45345666 0.31444093
0.18867982 0.45913342 0.33079328
0.49796457 0.65181830 0.15322810
0.45714781 0.49761991 0.28287435
0.23764501 0.34029545 0.04816450
0.28233337 0.49194743 0.91711881
0.57771521 0.03494555 -0.01439391
0.41955819 0.91488922 -0.03769414
0.59594007 0.55602287 0.97771656
0.75354583 0.67470380 0.00192309
0.44857053 0.32192784 0.38057225
0.34167077 0.26008984 0.41940596
0.34413224 0.42692808 0.38550968
0.45233664 0.17286958 0.24958999
0.34598133 0.14402739 0.15391681
0.35033996 0.09183703 0.28465956
0.84593506 0.73885339 0.84397642
0.57569961 0.86243946 0.76472606
0.51045500 0.70053217 0.63795919
0.84384021 0.88936164 0.63604382
0.86492686 0.15389931 0.83439249
0.04391008 0.12781189 0.93126034
0.21049986 0.67660770 0.02273046
0.74421498 0.91382686 0.00745382
0.89066900 0.28009733 0.20217239
0.41120303 0.66603561 0.94983494
0.22091500 0.93531940 0.02167985
0.03589111 0.57908115 -0.05913176
0.74711027 0.96975030 0.78118419
0.56247293 0.52994376 0.47014278
0.86457964 0.71955530 0.46923598
0.14876915 0.73714542 0.99345899
0.71722930 0.60544632 0.44721019
No title
1
13.496757 0.274704 -1.326238
0.335421 10.386354 0.218343
-1.363099 0.440970 13.187724
C H O N
43 30 7 2
Direct configuration= 423
0.74549652 0.51896544 0.37670428
0.75647293 0.38576272 0.40085773
0.80218926 0.30595702 0.33976244
0.77339901 0.57082367 0.28785488
0.81913298 0.49117537 0.22703872
0.83734824 0.35989373 0.25601507
-0.00567375 0.29077396 0.21648189
0.04734605 0.20088518 0.16957102
0.15178763 0.20336951 0.18164377
0.04623576 0.38326056 0.27526457
0.15048322 0.38509509 0.28511703
0.20609726 0.29545649 0.23977330
0.32114848 0.30038013 0.25402533
0.34564804 0.40308421 0.17610298
0.41781227 0.49384799 0.20324531
0.44214103 0.58171918 0.13001917
0.29635216 0.40609404 0.07213426
0.32018044 0.49187038 -0.00234728
0.39403093 0.57975971 0.02680030
0.49994887 0.73010533 -0.03220190
0.49325113 0.86440581 -0.03034389
0.58178705 0.93044356 -0.01620616
0.59311151 0.66121177 -0.02077700
0.68083067 0.72826815 -0.00686374
0.67543314 0.86266677 -0.00397988
0.36640294 0.32933109 0.36599400
0.36990245 0.16897285 0.23381523
0.14909249 0.87280259 0.98941761
0.05596239 0.69245293 -0.05153516
0.98898023 0.81153444 0.91245089
0.88937387 0.82355835 0.86109818
0.84665229 0.94947438 0.83228768
0.71262000 0.88308419 0.70788779
0.61852644 0.83281308 0.70741613
0.58241983 0.74159499 0.63705472
0.64249963 0.70268015 0.56904113
0.63046394 0.60255836 0.49192361
0.78349973 0.69822231 0.49112872
0.73436237 0.75797940 0.56880618
0.77146260 0.84891841 0.63639222
0.90109341 0.05844293 0.85789375
0.00135327 0.04390198 0.91116352
0.04474727 0.91937609 0.93691937
0.81484002 0.20207347 0.35866232
0.73221654 0.34483651 0.46871398
0.76227555 0.67411041 0.26841130
0.84441653 0.53094551 0.15965165
0.19036273 0.13000749 0.14508471
0.00632553 0.12812367 0.12505329
0.00734681 0.45319306 0.31439711
0.18892350 0.45886113 0.33072963
0.49812493 0.65179861 0.15329550
0.45744305 0.49734383 0.28290080
0.23751710 0.33994743 0.04802402
0.28207136 0.49188203 0.91699657
0.57756869 0.03522787 -0.01421604
0.41936057 0.91483689 -0.03756450
0.59600498 0.55636168 0.97766909
0.75366355 0.67533910 0.00196282
0.44897964 0.32149070 0.38060678
0.34196594 0.25965574 0.41952645
0.34458687 0.42650451 0.38570890
0.45237939 0.17251436 0.24947937
0.34588848 0.14363783 0.15380680
0.35035844 0.09151107 0.28460588
0.84593383 0.73911385 0.84366853
0.57554746 0.86260701 0.76448208
0.51020861 0.70051372 0.63761959
0.84393667 0.88957244 0.63589112
0.86481739 0.15418645 0.83485482
0.04387763 0.12824375 0.93194282
0.21069409 0.67710525 0.02271660
0.74417667 0.91450166 0.00750543
0.89048469 0.27971185 0.20222824
0.41114271 0.66607545 0.94979914
0.22120297 0.93592640 0.02221729
0.03604614 0.57944338 -0.05946092
0.74710945 0.96990366 0.78105401
0.56230429 0.52987556 0.46983950
0.86453074 0.71985518 0.46901948
0.14894534 0.73762529 0.99351618
0.71706148 0.60548400 0.44700899
No title
1
13.489979 0.268644 -1.329167
0.330453 10.387004 0.217575
-1.365869 0.440850 13.183687
C H O N
43 30 7 2
Direct configuration= 424
0.74545205 0.51887044 0.37659818
0.75634591 0.38572045 0.40084868
0.80201153 0.30587698 0.33983860
0.77337253 0.57062555 0.28765866
0.81907461 0.49087919 0.22697609
0.83729571 0.35967519 0.25602544
-0.00577486 0.29042076 0.21661732
0.04722678 0.20036101 0.16976303
0.15179258 0.20284015 0.18176209
0.04625910 0.38303507 0.27532232
0.15064405 0.38491814 0.28518356
0.20615353 0.29507196 0.23985534
0.32133035 0.30008089 0.25404805
0.34579941 0.40276597 0.17610798
0.41800334 0.49356033 0.20322728
0.44226378 0.58149928 0.13004862
0.29633686 0.40587835 0.07206863
0.32002681 0.49169766 -0.00240148
0.39402034 0.57967486 0.02683161
0.49980779 0.73016308 -0.03220828
0.49315004 0.86451751 -0.03029364
0.58175792 0.93061756 -0.01613545
0.59312064 0.66156948 -0.02081889
0.68082103 0.72881499 -0.00686041
0.67535236 0.86312770 -0.00402699
0.36662365 0.32904969 0.36594664
0.36994740 0.16865461 0.23374063
0.14918651 0.87334546 0.98970897
0.05606178 0.69290567 -0.05154905
0.98900049 0.81198804 0.91246965
0.88943389 0.82381010 0.86107759
0.84664351 0.94958315 0.83237964
0.71262230 0.88323945 0.70772931
0.61844663 0.83292461 0.70717676
0.58225126 0.74162987 0.63675348
0.64230022 0.70270916 0.56878251
0.63037431 0.60252867 0.49167539
0.78346530 0.69839139 0.49087905
0.73432169 0.75811566 0.56863333
0.77146273 0.84906861 0.63628776
0.90113876 0.05866437 0.85827434
0.00136605 0.04420625 0.91165243
0.04476465 0.91976171 0.93721457
0.81463701 0.20210060 0.35880916
0.73202828 0.34495867 0.46874952
0.76228318 0.67392779 0.26821088
0.84443975 0.53060123 0.15952185
0.19028511 0.12954822 0.14526390
0.00612289 0.12762634 0.12529169
0.00745975 0.45295579 0.31435765
0.18914292 0.45861610 0.33067233
0.49826942 0.65178096 0.15335625
0.45770895 0.49709542 0.28292467
0.23740170 0.33963401 0.04789741
0.28183524 0.49182300 0.91688637
0.57743684 0.03548199 -0.01405583
0.41918252 0.91478966 -0.03744778
0.59606358 0.55666677 0.97762638
0.75376987 0.67591117 0.00199871
0.44934808 0.32109734 0.38063794
0.34223174 0.25926504 0.41963502
0.34499636 0.42612339 0.38588842
0.45241774 0.17219454 0.24937969
0.34580465 0.14328703 0.15370764
0.35037495 0.09121759 0.28455750
0.84593275 0.73934837 0.84339121
0.57541038 0.86275779 0.76426229
0.50998653 0.70049697 0.63731362
0.84402363 0.88976229 0.63575361
0.86471898 0.15444492 0.83527127
0.04384872 0.12863256 0.93255762
0.21086927 0.67755335 0.02270422
0.74414242 0.91510923 0.00755197
0.89031850 0.27936466 0.20227845
0.41108836 0.66611130 0.94976688
0.22146278 0.93647309 0.02270155
0.03618588 0.57976961 -0.05975734
0.74710873 0.97004175 0.78093676
0.56215225 0.52981407 0.46956627
0.86448675 0.72012516 0.46882447
0.14910427 0.73805746 0.99356779
0.71691026 0.60551784 0.44682771
No title
1
13.482452 0.262114 -1.332325
0.325139 10.387136 0.217085
-1.368763 0.441098 13.180118
C H O N
43 30 7 2
Direct configuration= 425
0.74541048 0.51879676 0.37644295
0.75617514 0.38562381 0.40089300
0.80190047 0.30565916 0.33992814
0.77333939 0.57041738 0.28748778
0.81904601 0.49061734 0.22684557
0.83721926 0.35937445 0.25608502
-0.00588710 0.29008380 0.21675671
0.04712136 0.19993265 0.16998174
0.15170061 0.20233871 0.18193293
0.04637199 0.38276475 0.27537124
0.15076065 0.38462559 0.28518647
0.20619238 0.29467309 0.23995466
0.32149801 0.29981764 0.25403457
0.34585653 0.40250239 0.17605489
0.41824109 0.49316150 0.20326118
0.44240560 0.58141230 0.13004148
0.29635330 0.40555968 0.07199999
0.31992928 0.49162902 -0.00247612
0.39393374 0.57954584 0.02682262
0.49972573 0.73032850 -0.03221163
0.49300451 0.86461003 -0.03022540
0.58166431 0.93083915 -0.01607670
0.59309775 0.66185630 -0.02089512
0.68079098 0.72936069 -0.00681592
0.67534664 0.86361897 -0.00402747
0.36691699 0.32871213 0.36600476
0.36999160 0.16837465 0.23368393
0.14932411 0.87396341 0.98999767
0.05608487 0.69324076 -0.05158281
0.98909951 0.81242819 0.91250204
0.88938565 0.82400921 0.86099850
0.84662353 0.94973102 0.83249887
0.71259956 0.88339360 0.70763418
0.61833786 0.83301218 0.70691727
0.58208041 0.74168875 0.63646616
0.64222570 0.70283189 0.56854536
0.63018252 0.60248727 0.49142725
0.78336037 0.69849201 0.49056881
0.73426379 0.75825245 0.56849174
0.77145157 0.84926733 0.63622057
0.90113478 0.05886176 0.85861452
0.00140301 0.04452434 0.91219391
0.04486667 0.92016231 0.93754776
0.81442570 0.20224098 0.35895321
0.73187245 0.34515049 0.46873312
0.76228677 0.67381346 0.26799360
0.84446868 0.53025175 0.15940596
0.19024680 0.12906967 0.14543169
0.00590035 0.12710272 0.12551153
0.00751662 0.45275762 0.31430674
0.18937248 0.45843264 0.33064914
0.49838805 0.65169567 0.15343362
0.45796981 0.49684261 0.28297543
0.23730553 0.33932101 0.04779117
0.28162275 0.49175611 0.91683217
0.57730021 0.03572257 -0.01388802
0.41905357 0.91471730 -0.03734767
0.59612692 0.55698201 0.97758183
0.75390815 0.67644171 0.00203823
0.44972857 0.32069653 0.38065884
0.34248822 0.25886245 0.41971361
0.34536445 0.42576616 0.38602505
0.45245978 0.17191633 0.24926882
0.34573275 0.14290627 0.15357976
0.35039621 0.09092659 0.28450437
0.84599431 0.73963060 0.84309955
0.57532734 0.86291456 0.76401676
0.50975402 0.70044316 0.63701675
0.84407213 0.88990947 0.63561064
0.86459327 0.15465156 0.83568220
0.04383518 0.12898552 0.93311304
0.21109304 0.67798238 0.02270752
0.74412114 0.91573091 0.00760944
0.89016048 0.27900218 0.20231798
0.41099198 0.66608836 0.94975577
0.22164456 0.93689226 0.02315504
0.03633723 0.58022973 -0.06003293
0.74716096 0.97021027 0.78078999
0.56200251 0.52974201 0.46928478
0.86446389 0.72040424 0.46861093
0.14919716 0.73857525 0.99362056
0.71683168 0.60557421 0.44666376
No title
1
13.476256 0.256739 -1.334924
0.320764 10.387244 0.216681
-1.371145 0.441303 13.177180
C H O N
43 30 7 2
Direct configuration= 426
0.74537619 0.51873609 0.37631510
0.75603445 0.38554417 0.40092945
0.80180893 0.30547979 0.34000184
0.77331199 0.57024600 0.28734704
0.81902233 0.49040177 0.22673805
0.83715619 0.35912684 0.25613405
-0.00597963 0.28980634 0.21687145
0.04703442 0.19957995 0.17016179
0.15162471 0.20192584 0.18207357
0.04646490 0.38254226 0.27541153
0.15085659 0.38438481 0.28518888
0.20622428 0.29434473 0.24003643
0.32163604 0.29960101 0.25402349
0.34590347 0.40228543 0.17601116
0.41843681 0.49283328 0.20328913
0.44252240 0.58134076 0.13003564
0.29636672 0.40529734 0.07194345
0.31984891 0.49157246 -0.00253762
0.39386236 0.57943959 0.02681519
0.49965819 0.73046463 -0.03221441
0.49288468 0.86468611 -0.03016923
0.58158729 0.93102152 -0.01602832
0.59307898 0.66209242 -0.02095788
0.68076642 0.72980992 -0.00677926
0.67534208 0.86402340 -0.00402783
0.36715852 0.32843437 0.36605268
0.37002791 0.16814419 0.23363722
0.14943772 0.87447220 0.99023550
0.05610399 0.69351663 -0.05161057
0.98918123 0.81279059 0.91252877
0.88934597 0.82417310 0.86093336
0.84660714 0.94985274 0.83259706
0.71258087 0.88352049 0.70755585
0.61824823 0.83308422 0.70670356
0.58193964 0.74173714 0.63622952
0.64216430 0.70293289 0.56835006
0.63002447 0.60245311 0.49122286
0.78327390 0.69857480 0.49031331
0.73421612 0.75836504 0.56837514
0.77144243 0.84943093 0.63616526
0.90113164 0.05902424 0.85889468
0.00143366 0.04478620 0.91263985
0.04495091 0.92049214 0.93782219
0.81425171 0.20235643 0.35907179
0.73174414 0.34530832 0.46871959
0.76228965 0.67371935 0.26781465
0.84449238 0.52996405 0.15931052
0.19021511 0.12867567 0.14556983
0.00571691 0.12667154 0.12569248
0.00756340 0.45259451 0.31426481
0.18956151 0.45828172 0.33063008
0.49848575 0.65162551 0.15349735
0.45818461 0.49663462 0.28301727
0.23722619 0.33906329 0.04770364
0.28144768 0.49170095 0.91678747
0.57718778 0.03592056 -0.01374985
0.41894734 0.91465767 -0.03726527
0.59617920 0.55724157 0.97754517
0.75402224 0.67687855 0.00207085
0.45004187 0.32036675 0.38067612
0.34269938 0.25853115 0.41977837
0.34566758 0.42547225 0.38613762
0.45249429 0.17168731 0.24917751
0.34567338 0.14259278 0.15347440
0.35041362 0.09068705 0.28446060
0.84604506 0.73986299 0.84285940
0.57525893 0.86304358 0.76381456
0.50956242 0.70039876 0.63677222
0.84411209 0.89003067 0.63549293
0.86448987 0.15482160 0.83602059
0.04382426 0.12927607 0.93357046
0.21127751 0.67833568 0.02271032
0.74410384 0.91624270 0.00765680
0.89003019 0.27870369 0.20235047
0.41091258 0.66606942 0.94974661
0.22179452 0.93723742 0.02352857
0.03646200 0.58060860 -0.06025981
0.74720401 0.97034903 0.78066914
0.56187909 0.52968263 0.46905294
0.86444511 0.72063398 0.46843509
0.14927385 0.73900155 0.99366407
0.71676694 0.60562059 0.44652873
No title
1
13.468188 0.250126 -1.338324
0.315374 10.387547 0.216265
-1.374239 0.441673 13.173473
C H O N
43 30 7 2
Direct configuration= 427
0.74530591 0.51862600 0.37618335
0.75588696 0.38549486 0.40086279
0.80168672 0.30542723 0.34010486
0.77328233 0.57010641 0.28714184
0.81901348 0.49006845 0.22660095
0.83702934 0.35880370 0.25620447
-0.00603778 0.28943022 0.21700838
0.04685469 0.19916587 0.17039051
0.15150258 0.20142776 0.18231359
0.04655421 0.38221311 0.27544761
0.15099624 0.38400249 0.28517280
0.20629112 0.29391181 0.24014288
0.32173594 0.29930061 0.25398254
0.34591089 0.40201792 0.17592775
0.41874337 0.49247102 0.20327936
0.44261770 0.58120002 0.13005370
0.29638558 0.40490764 0.07181741
0.31974508 0.49146456 -0.00259215
0.39379145 0.57937575 0.02677942
0.49962552 0.73065925 -0.03221912
0.49275444 0.86477454 -0.03007528
0.58140483 0.93137815 -0.01597630
0.59303196 0.66240746 -0.02104826
0.68084243 0.73023524 -0.00670085
0.67536550 0.86457503 -0.00396987
0.36755725 0.32800912 0.36622256
0.37002944 0.16786367 0.23353697
0.14952840 0.87493858 0.99051092
0.05616746 0.69409922 -0.05166523
0.98924263 0.81313462 0.91255247
0.88936379 0.82444376 0.86087269
0.84658903 0.95009501 0.83272820
0.71253488 0.88364885 0.70746539
0.61808555 0.83317108 0.70644643
0.58175945 0.74182844 0.63594659
0.64210644 0.70308426 0.56812070
0.62985350 0.60256198 0.49102071
0.78314262 0.69871600 0.49003716
0.73419106 0.75851978 0.56820726
0.77142061 0.84962443 0.63606667
0.90108086 0.05925375 0.85923714
0.00142492 0.04516047 0.91319876
0.04511557 0.92096973 0.93819791
0.81405105 0.20235275 0.35926828
0.73157254 0.34550787 0.46875121
0.76229972 0.67357689 0.26757669
0.84453235 0.52959022 0.15918157
0.19018325 0.12816456 0.14575025
0.00547509 0.12612259 0.12593193
0.00759439 0.45241180 0.31419714
0.18980341 0.45811359 0.33061550
0.49862141 0.65151274 0.15359739
0.45846281 0.49634193 0.28310399
0.23715373 0.33873348 0.04761481
0.28123724 0.49162720 0.91676214
0.57703625 0.03613923 -0.01356883
0.41880983 0.91459003 -0.03717594
0.59624904 0.55757074 0.97749176
0.75410205 0.67748355 0.00210693
0.45042725 0.31994173 0.38068771
0.34297223 0.25811300 0.41981080
0.34602758 0.42510443 0.38624012
0.45258624 0.17142925 0.24905658
0.34561960 0.14218214 0.15335461
0.35044074 0.09038095 0.28440484
0.84612199 0.74009861 0.84251842
0.57521540 0.86320319 0.76351813
0.50932426 0.70032174 0.63645976
0.84413569 0.89016265 0.63534709
0.86435618 0.15493983 0.83646574
0.04384619 0.12965847 0.93412761
0.21146717 0.67888105 0.02268590
0.74411244 0.91693065 0.00772951
0.88986625 0.27832114 0.20240905
0.41075103 0.66599329 0.94974547
0.22203667 0.93771177 0.02403371
0.03657043 0.58097417 -0.06054842
0.74726766 0.97060359 0.78050908
0.56162157 0.52949596 0.46871872
0.86441183 0.72091933 0.46817422
0.14941802 0.73953404 0.99378138
0.71675181 0.60561405 0.44628652
No title
1
13.462927 0.245814 -1.340540
0.311859 10.387745 0.215994
-1.376256 0.441914 13.171055
C H O N
43 30 7 2
Direct configuration= 428
0.74526000 0.51855420 0.37609741
0.75579070 0.38546264 0.40081929
0.80160699 0.30539291 0.34017202
0.77326291 0.57001539 0.28700799
0.81900760 0.48985112 0.22651151
0.83694651 0.35859297 0.25625036
-0.00607579 0.28918496 0.21709765
0.04673736 0.19889582 0.17053964
0.15142280 0.20110296 0.18247009
0.04661240 0.38199854 0.27547113
0.15108725 0.38375327 0.28516232
0.20633463 0.29362957 0.24021231
0.32180103 0.29910480 0.25395584
0.34591565 0.40184351 0.17587334
0.41894328 0.49223494 0.20327304
0.44267984 0.58110830 0.13006550
0.29639777 0.40465357 0.07173519
0.31967730 0.49139417 -0.00262775
0.39374517 0.57933411 0.02675606
0.49960425 0.73078612 -0.03222220
0.49266951 0.86483214 -0.03001402
0.58128589 0.93161060 -0.01594239
0.59300136 0.66261286 -0.02110719
0.68089216 0.73051257 -0.00664967
0.67538094 0.86493469 -0.00393204
0.36781731 0.32773201 0.36633342
0.37003034 0.16768078 0.23347156
0.14958774 0.87524268 0.99069060
0.05620901 0.69447909 -0.05170084
0.98928279 0.81335895 0.91256796
0.88937548 0.82462023 0.86083314
0.84657731 0.95025297 0.83281375
0.71250489 0.88373253 0.70740639
0.61797939 0.83322766 0.70627870
0.58164186 0.74188790 0.63576202
0.64206868 0.70318294 0.56797110
0.62974195 0.60263290 0.49088883
0.78305696 0.69880802 0.48985702
0.73417473 0.75862066 0.56809777
0.77140641 0.84975059 0.63600237
0.90104785 0.05940336 0.85946050
0.00141941 0.04540446 0.91356332
0.04522319 0.92128117 0.93844303
0.81392016 0.20235025 0.35939639
0.73146064 0.34563790 0.46877182
0.76230621 0.67348401 0.26742148
0.84455830 0.52934650 0.15909746
0.19016235 0.12783130 0.14586790
0.00531721 0.12576457 0.12608802
0.00761455 0.45229269 0.31415299
0.18996118 0.45800407 0.33060603
0.49870991 0.65143927 0.15366266
0.45864425 0.49615120 0.28316060
0.23710635 0.33851842 0.04755684
0.28109992 0.49157904 0.91674557
0.57693748 0.03628173 -0.01345078
0.41872011 0.91454588 -0.03711772
0.59629469 0.55778539 0.97745696
0.75415429 0.67787805 0.00213051
0.45067858 0.31966477 0.38069533
0.34315013 0.25784048 0.41983199
0.34626238 0.42486476 0.38630703
0.45264614 0.17126104 0.24897771
0.34558439 0.14191438 0.15327645
0.35045834 0.09018139 0.28436845
0.84617219 0.74025228 0.84229606
0.57518700 0.86330725 0.76332479
0.50916880 0.70027145 0.63625591
0.84415109 0.89024872 0.63525198
0.86426906 0.15501684 0.83675605
0.04386070 0.12990778 0.93449103
0.21159104 0.67923670 0.02267004
0.74411825 0.91737919 0.00777697
0.88975921 0.27807165 0.20244721
0.41064561 0.66594359 0.94974469
0.22219487 0.93802112 0.02436325
0.03664121 0.58121257 -0.06073662
0.74730923 0.97076959 0.78040471
0.56145345 0.52937417 0.46850068
0.86439015 0.72110538 0.46800407
0.14951224 0.73988128 0.99385794
0.71674190 0.60560979 0.44612854
No title
1
13.455304 0.239786 -1.343844
0.306901 10.387598 0.215202
-1.379235 0.441719 13.167716
C H O N
43 30 7 2
Direct configuration= 429
0.74518563 0.51849164 0.37595098
0.75567171 0.38554090 0.40071166
0.80149504 0.30543302 0.34026955
0.77326861 0.56989231 0.28680602
0.81897754 0.48954626 0.22646753
0.83682503 0.35841115 0.25621302
-0.00612173 0.28885722 0.21720044
0.04652939 0.19846104 0.17067836
0.15137923 0.20062700 0.18268257
0.04660437 0.38173448 0.27551120
0.15125141 0.38350310 0.28522555
0.20642771 0.29324210 0.24029259
0.32183034 0.29878667 0.25395601
0.34595952 0.40162150 0.17581710
0.41917505 0.49198718 0.20321566
0.44271272 0.58091253 0.13010172
0.29641340 0.40434757 0.07160042
0.31957521 0.49120230 -0.00262980
0.39372977 0.57934279 0.02675559
0.49953592 0.73085070 -0.03223906
0.49259859 0.86494915 -0.02992168
0.58117688 0.93189993 -0.01588159
0.59303584 0.66291831 -0.02115763
0.68098536 0.73087336 -0.00658571
0.67532432 0.86532866 -0.00383360
0.36815355 0.32737397 0.36646017
0.37001859 0.16744103 0.23334180
0.14979146 0.87553535 0.99099844
0.05631009 0.69482986 -0.05178863
0.98932677 0.81366566 0.91261345
0.88948943 0.82491726 0.86081512
0.84657291 0.95052147 0.83290268
0.71246604 0.88379594 0.70728560
0.61785156 0.83332172 0.70608173
0.58147646 0.74195786 0.63552482
0.64193958 0.70327447 0.56779481
0.62951500 0.60262966 0.49065682
0.78307535 0.69901231 0.48967448
0.73420375 0.75876665 0.56790682
0.77136902 0.84986297 0.63587361
0.90100505 0.05963117 0.85979281
0.00136140 0.04575429 0.91398932
0.04527472 0.92165854 0.93872014
0.81377759 0.20215462 0.35962127
0.73130861 0.34578863 0.46884432
0.76232699 0.67332186 0.26720448
0.84460801 0.52900882 0.15896836
0.19008403 0.12745032 0.14606384
0.00511133 0.12533654 0.12632333
0.00764805 0.45212362 0.31406134
0.19013185 0.45780518 0.33055141
0.49884449 0.65132862 0.15376166
0.45888031 0.49586055 0.28324014
0.23705494 0.33820331 0.04748892
0.28092187 0.49151567 0.91672310
0.57678249 0.03652185 -0.01329708
0.41855873 0.91451443 -0.03705817
0.59634339 0.55805571 0.97739767
0.75418772 0.67841406 0.00216381
0.45102574 0.31929635 0.38070928
0.34338361 0.25745592 0.41983672
0.34656318 0.42451084 0.38635541
0.45275480 0.17107927 0.24886547
0.34556050 0.14156806 0.15320059
0.35048743 0.08992946 0.28431870
0.84624217 0.74036968 0.84196785
0.57514249 0.86344873 0.76307492
0.50899987 0.70020436 0.63598353
0.84416612 0.89036429 0.63514579
0.86414654 0.15504831 0.83713994
0.04392268 0.13028059 0.93495090
0.21169940 0.67981041 0.02262076
0.74417723 0.91801773 0.00785765
0.88961994 0.27775991 0.20255006
0.41051763 0.66594103 0.94971879
0.22236776 0.93840046 0.02477556
0.03671989 0.58171134 -0.06095469
0.74730921 0.97106314 0.78026187
0.56132245 0.52934840 0.46826727
0.86427217 0.72132724 0.46776127
0.14964687 0.74029763 0.99400498
0.71668066 0.60557412 0.44593518
No title
1
13.452320 0.237425 -1.345137
0.304960 10.387540 0.214892
-1.380402 0.441643 13.166408
C H O N
43 30 7 2
Direct configuration= 430
0.74515648 0.51846713 0.37589363
0.75562510 0.38557151 0.40066949
0.80145119 0.30544869 0.34030773
0.77327080 0.56984412 0.28672692
0.81896571 0.48942690 0.22645029
0.83677741 0.35833995 0.25619838
-0.00613976 0.28872889 0.21724067
0.04644787 0.19829077 0.17073264
0.15136211 0.20044065 0.18276575
0.04660119 0.38163109 0.27552688
0.15131569 0.38340520 0.28525032
0.20646413 0.29309042 0.24032403
0.32184177 0.29866212 0.25395607
0.34597667 0.40153458 0.17579507
0.41926580 0.49189022 0.20319320
0.44272557 0.58083589 0.13011590
0.29641946 0.40422777 0.07154763
0.31953518 0.49112716 -0.00263062
0.39372374 0.57934619 0.02675540
0.49950916 0.73087596 -0.03224567
0.49257083 0.86499494 -0.02988552
0.58113422 0.93201318 -0.01585778
0.59304938 0.66303790 -0.02117737
0.68102193 0.73101463 -0.00656064
0.67530221 0.86548289 -0.00379503
0.36828524 0.32723386 0.36650983
0.37001393 0.16734716 0.23329097
0.14987134 0.87564998 0.99111903
0.05634973 0.69496722 -0.05182299
0.98934404 0.81378576 0.91263128
0.88953411 0.82503357 0.86080809
0.84657124 0.95062660 0.83293752
0.71245082 0.88382076 0.70723829
0.61780148 0.83335852 0.70600458
0.58141165 0.74198522 0.63543191
0.64188901 0.70331027 0.56772575
0.62942607 0.60262834 0.49056592
0.78308256 0.69909229 0.48960300
0.73421513 0.75882381 0.56783205
0.77135438 0.84990696 0.63582319
0.90098835 0.05972036 0.85992295
0.00133877 0.04589125 0.91415616
0.04529499 0.92180630 0.93882869
0.81372174 0.20207799 0.35970931
0.73124908 0.34584761 0.46887270
0.76233509 0.67325838 0.26711950
0.84462742 0.52887663 0.15891779
0.19005332 0.12730114 0.14614055
0.00503063 0.12516891 0.12641544
0.00766114 0.45205743 0.31402545
0.19019867 0.45772735 0.33053004
0.49889720 0.65128533 0.15380044
0.45897274 0.49574681 0.28327130
0.23703475 0.33807993 0.04746231
0.28085211 0.49149082 0.91671428
0.57672182 0.03661582 -0.01323689
0.41849551 0.91450208 -0.03703486
0.59636251 0.55816155 0.97737447
0.75420090 0.67862393 0.00217688
0.45116168 0.31915219 0.38071477
0.34347501 0.25730541 0.41983859
0.34668097 0.42437234 0.38637439
0.45279733 0.17100813 0.24882152
0.34555109 0.14143246 0.15317086
0.35049878 0.08983083 0.28429921
0.84626958 0.74041566 0.84183933
0.57512506 0.86350411 0.76297706
0.50893366 0.70017805 0.63587684
0.84417201 0.89040954 0.63510421
0.86409859 0.15506060 0.83729027
0.04394706 0.13042656 0.93513102
0.21174193 0.68003505 0.02260150
0.74420044 0.91826774 0.00788928
0.88956535 0.27763783 0.20259031
0.41046749 0.66594001 0.94970863
0.22243559 0.93854902 0.02493707
0.03675077 0.58190664 -0.06104006
0.74730923 0.97117806 0.78020594
0.56127111 0.52933828 0.46817584
0.86422596 0.72141408 0.46766617
0.14969969 0.74046067 0.99406259
0.71665664 0.60556014 0.44585944
No title
1
13.445716 0.231984 -1.348546
0.300441 10.388044 0.213843
-1.383523 0.441088 13.163466
C H O N
43 30 7 2
Direct configuration= 431
0.74507407 0.51858019 0.37567581
0.75547447 0.38567371 0.40068534
0.80138804 0.30530344 0.34037308
0.77328102 0.56968941 0.28658289
0.81894034 0.48925898 0.22636594
0.83666235 0.35818909 0.25612429
-0.00623454 0.28840503 0.21730642
0.04635487 0.19785968 0.17085219
0.15129656 0.19998334 0.18294280
0.04664434 0.38142032 0.27558524
0.15139418 0.38317983 0.28533575
0.20652132 0.29277754 0.24042106
0.32190493 0.29833305 0.25399458
0.34607837 0.40130611 0.17577387
0.41937964 0.49161319 0.20321541
0.44280918 0.58075590 0.13011814
0.29642300 0.40394700 0.07150500
0.31949077 0.49096808 -0.00264748
0.39367442 0.57929141 0.02677652
0.49942905 0.73092461 -0.03227043
0.49248657 0.86508108 -0.02981385
0.58111476 0.93222617 -0.01576707
0.59313636 0.66327612 -0.02118706
0.68103949 0.73146618 -0.00652513
0.67528498 0.86580464 -0.00365116
0.36852539 0.32692790 0.36651772
0.37005903 0.16711882 0.23319746
0.15006566 0.87587982 0.99142581
0.05650010 0.69533507 -0.05192254
0.98947572 0.81413011 0.91275065
0.88957127 0.82526896 0.86074242
0.84656684 0.95086843 0.83298213
0.71242133 0.88387973 0.70709438
0.61774325 0.83346155 0.70582644
0.58126038 0.74202700 0.63521968
0.64173931 0.70334562 0.56753695
0.62934559 0.60267950 0.49033510
0.78301404 0.69924103 0.48950139
0.73417853 0.75891240 0.56760910
0.77134201 0.84998587 0.63567606
0.90094358 0.05995236 0.86027315
0.00133060 0.04622533 0.91451825
0.04527327 0.92207908 0.93904758
0.81360158 0.20188467 0.35994232
0.73113271 0.34600693 0.46890460
0.76237095 0.67308278 0.26689416
0.84467054 0.52851739 0.15882766
0.18993495 0.12697469 0.14635188
0.00480126 0.12476029 0.12662348
0.00768868 0.45190842 0.31392063
0.19034640 0.45753429 0.33046504
0.49901424 0.65113623 0.15389333
0.45917069 0.49544207 0.28329324
0.23698487 0.33773762 0.04739461
0.28068548 0.49142625 0.91668221
0.57655649 0.03691580 -0.01310093
0.41831379 0.91449485 -0.03699359
0.59639581 0.55841778 0.97730343
0.75426915 0.67908764 0.00222071
0.45151191 0.31881066 0.38073709
0.34368961 0.25690873 0.41984599
0.34695966 0.42400210 0.38639060
0.45288254 0.17088357 0.24870092
0.34553351 0.14111928 0.15308896
0.35053604 0.08961843 0.28424096
0.84638730 0.74053674 0.84152568
0.57503535 0.86365418 0.76279425
0.50880063 0.70011561 0.63562219
0.84419269 0.89053606 0.63503583
0.86395537 0.15510723 0.83762815
0.04402826 0.13079814 0.93553331
0.21187245 0.68058047 0.02257249
0.74422977 0.91884043 0.00797362
0.88943709 0.27737167 0.20273112
0.41038128 0.66601763 0.94966102
0.22262682 0.93889801 0.02531971
0.03677777 0.58233183 -0.06122951
0.74724690 0.97146196 0.78005015
0.56108251 0.52930636 0.46797749
0.86424284 0.72166257 0.46737798
0.14977201 0.74082876 0.99420338
0.71652198 0.60557125 0.44574905
No title
1
13.442150 0.229046 -1.350386
0.298000 10.388316 0.213277
-1.385209 0.440789 13.161877
C H O N
43 30 7 2
Direct configuration= 432
0.74502954 0.51864121 0.37555814
0.75539310 0.38572886 0.40069388
0.80135389 0.30522499 0.34040836
0.77328649 0.56960587 0.28650508
0.81892658 0.48916829 0.22632036
0.83660014 0.35810759 0.25608424
-0.00628581 0.28823011 0.21734190
0.04630456 0.19762687 0.17091673
0.15126108 0.19973637 0.18303840
0.04666762 0.38130652 0.27561676
0.15143656 0.38305815 0.28538191
0.20655217 0.29260859 0.24047347
0.32193900 0.29815537 0.25401537
0.34613327 0.40118276 0.17576242
0.41944111 0.49146362 0.20322741
0.44285434 0.58071273 0.13011936
0.29642485 0.40379538 0.07148196
0.31946674 0.49088216 -0.00265661
0.39364776 0.57926182 0.02678792
0.49938577 0.73095085 -0.03228382
0.49244107 0.86512758 -0.02977515
0.58110430 0.93234118 -0.01571807
0.59318341 0.66340478 -0.02119227
0.68104906 0.73171003 -0.00650591
0.67527575 0.86597839 -0.00357342
0.36865510 0.32676274 0.36652200
0.37008334 0.16699553 0.23314693
0.15017074 0.87600400 0.99159157
0.05658141 0.69553375 -0.05197627
0.98954695 0.81431610 0.91281517
0.88959139 0.82539608 0.86070696
0.84656451 0.95099902 0.83300625
0.71240539 0.88391156 0.70701664
0.61771179 0.83351717 0.70573020
0.58117863 0.74204953 0.63510501
0.64165841 0.70336466 0.56743494
0.62930208 0.60270710 0.49021041
0.78297703 0.69932134 0.48944651
0.73415874 0.75896023 0.56748866
0.77133532 0.85002848 0.63559659
0.90091949 0.06007765 0.86046233
0.00132630 0.04640575 0.91471387
0.04526161 0.92222639 0.93916584
0.81353665 0.20178024 0.36006815
0.73106987 0.34609294 0.46892183
0.76239026 0.67298796 0.26677242
0.84469376 0.52832341 0.15877895
0.18987096 0.12679838 0.14646600
0.00467727 0.12453957 0.12673580
0.00770352 0.45182795 0.31386400
0.19042618 0.45743007 0.33042994
0.49907746 0.65105575 0.15394351
0.45927759 0.49527755 0.28330511
0.23695785 0.33755275 0.04735801
0.28059544 0.49139133 0.91666485
0.57646723 0.03707776 -0.01302749
0.41821560 0.91449090 -0.03697133
0.59641384 0.55855615 0.97726507
0.75430612 0.67933807 0.00224443
0.45170109 0.31862633 0.38074918
0.34380550 0.25669458 0.41984999
0.34711018 0.42380224 0.38639938
0.45292854 0.17081632 0.24863578
0.34552394 0.14095015 0.15304470
0.35055612 0.08950374 0.28420949
0.84645089 0.74060216 0.84135628
0.57498689 0.86373519 0.76269549
0.50872870 0.70008185 0.63548460
0.84420387 0.89060439 0.63499891
0.86387804 0.15513239 0.83781064
0.04407226 0.13099883 0.93575066
0.21194307 0.68087505 0.02255688
0.74424573 0.91914970 0.00801923
0.88936775 0.27722791 0.20280714
0.41033471 0.66605953 0.94963530
0.22273027 0.93908653 0.02552646
0.03679242 0.58256145 -0.06133182
0.74721325 0.97161525 0.77996600
0.56098058 0.52928907 0.46787030
0.86425197 0.72179676 0.46722232
0.14981118 0.74102755 0.99427947
0.71644921 0.60557722 0.44568940
No title
1
13.436213 0.224749 -1.353196
0.294390 10.389477 0.212346
-1.387770 0.440272 13.158998
C H O N
43 30 7 2
Direct configuration= 433
0.74490310 0.51874365 0.37543369
0.75530596 0.38577602 0.40068192
0.80126399 0.30503166 0.34049203
0.77328540 0.56956339 0.28636286
0.81892111 0.48905344 0.22617986
0.83647088 0.35793905 0.25610705
-0.00634334 0.28793938 0.21740079
0.04625857 0.19727850 0.17106485
0.15119126 0.19943224 0.18323084
0.04672299 0.38106359 0.27563617
0.15144436 0.38276191 0.28542713
0.20650933 0.29236134 0.24058842
0.32208115 0.29787008 0.25403045
0.34622499 0.40083971 0.17579124
0.41949282 0.49129301 0.20327530
0.44294676 0.58063677 0.13015142
0.29640973 0.40356515 0.07150761
0.31944453 0.49073285 -0.00269551
0.39358896 0.57918447 0.02678391
0.49939603 0.73107519 -0.03228920
0.49233649 0.86516287 -0.02973668
0.58107796 0.93256508 -0.01559309
0.59317883 0.66359649 -0.02118412
0.68107616 0.73210734 -0.00647981
0.67539966 0.86640429 -0.00338572
0.36884370 0.32642755 0.36645971
0.37018420 0.16676957 0.23312143
0.15022844 0.87634960 0.99183277
0.05668957 0.69594879 -0.05206730
0.98958208 0.81459305 0.91289153
0.88956972 0.82558165 0.86059886
0.84652158 0.95111396 0.83300652
0.71242136 0.88404367 0.70685760
0.61765341 0.83359085 0.70557241
0.58109016 0.74207211 0.63492048
0.64155445 0.70337687 0.56720513
0.62922703 0.60271392 0.49000178
0.78303766 0.69942068 0.48927832
0.73400003 0.75902532 0.56732127
0.77134249 0.85008862 0.63544601
0.90089794 0.06027428 0.86081745
0.00140666 0.04669260 0.91502691
0.04535697 0.92254981 0.93942113
0.81343472 0.20167595 0.36028592
0.73097558 0.34626794 0.46893330
0.76244740 0.67279407 0.26653531
0.84473077 0.52797005 0.15871243
0.18975340 0.12643698 0.14665629
0.00441207 0.12410588 0.12689114
0.00771459 0.45172959 0.31376932
0.19058168 0.45730235 0.33039533
0.49921073 0.65091601 0.15403848
0.45944704 0.49496156 0.28328589
0.23691889 0.33719187 0.04729321
0.28044243 0.49131877 0.91662422
0.57631327 0.03734471 -0.01291092
0.41805412 0.91448492 -0.03694188
0.59645010 0.55879358 0.97718383
0.75438984 0.67976791 0.00229552
0.45199374 0.31832277 0.38076624
0.34401580 0.25632288 0.41984595
0.34736454 0.42344790 0.38639761
0.45299053 0.17074429 0.24851035
0.34550154 0.14067523 0.15293911
0.35061235 0.08932426 0.28414019
0.84662480 0.74075998 0.84106378
0.57486641 0.86388234 0.76256001
0.50859357 0.70001499 0.63525229
0.84424744 0.89075224 0.63496606
0.86369717 0.15528038 0.83809623
0.04415442 0.13133392 0.93609731
0.21214723 0.68132188 0.02257806
0.74419029 0.91959460 0.00810547
0.88926282 0.27696529 0.20291903
0.41023724 0.66610936 0.94960680
0.22295560 0.93937810 0.02588941
0.03677815 0.58285451 -0.06151185
0.74714144 0.97181795 0.77978966
0.56078233 0.52930174 0.46771134
0.86416326 0.72200828 0.46697449
0.14990261 0.74134284 0.99442885
0.71635126 0.60569390 0.44558989
No title
1
13.433570 0.222837 -1.354447
0.292784 10.389993 0.211931
-1.388910 0.440042 13.157716
C H O N
43 30 7 2
Direct configuration= 434
0.74484680 0.51878920 0.37537829
0.75526716 0.38579698 0.40067659
0.80122395 0.30494562 0.34052926
0.77328490 0.56954448 0.28629955
0.81891865 0.48900233 0.22611732
0.83641331 0.35786403 0.25611718
-0.00636899 0.28780999 0.21742698
0.04623807 0.19712348 0.17113077
0.15116016 0.19929690 0.18331647
0.04674761 0.38095550 0.27564481
0.15144781 0.38263010 0.28544725
0.20649023 0.29225131 0.24063958
0.32214440 0.29774315 0.25403716
0.34626579 0.40068707 0.17580406
0.41951583 0.49121710 0.20329662
0.44298791 0.58060299 0.13016570
0.29640297 0.40346270 0.07151902
0.31943462 0.49066641 -0.00271283
0.39356276 0.57915004 0.02678212
0.49940061 0.73113052 -0.03229160
0.49228993 0.86517855 -0.02971957
0.58106628 0.93266471 -0.01553745
0.59317682 0.66368179 -0.02118048
0.68108827 0.73228413 -0.00646817
0.67545490 0.86659383 -0.00330214
0.36892762 0.32627843 0.36643198
0.37022907 0.16666904 0.23311007
0.15025420 0.87650340 0.99194016
0.05673778 0.69613350 -0.05210778
0.98959776 0.81471629 0.91292554
0.88956009 0.82566422 0.86055074
0.84650248 0.95116509 0.83300665
0.71242848 0.88410245 0.70678680
0.61762742 0.83362362 0.70550217
0.58105075 0.74208214 0.63483833
0.64150814 0.70338228 0.56710282
0.62919359 0.60271693 0.48990890
0.78306465 0.69946489 0.48920346
0.73392936 0.75905426 0.56724674
0.77134568 0.85011537 0.63537899
0.90088840 0.06036178 0.86097554
0.00144250 0.04682026 0.91516628
0.04539950 0.92269375 0.93953480
0.81338934 0.20162953 0.36038285
0.73093362 0.34634579 0.46893840
0.76247280 0.67270781 0.26642976
0.84474720 0.52781281 0.15868280
0.18970103 0.12627615 0.14674097
0.00429395 0.12391285 0.12696024
0.00771949 0.45168583 0.31372717
0.19065089 0.45724554 0.33037994
0.49927006 0.65085385 0.15408076
0.45952244 0.49482097 0.28327734
0.23690150 0.33703128 0.04726435
0.28037430 0.49128645 0.91660612
0.57624476 0.03746348 -0.01285903
0.41798223 0.91448223 -0.03692879
0.59646627 0.55889924 0.97714768
0.75442718 0.67995920 0.00231829
0.45212400 0.31818774 0.38077386
0.34410939 0.25615752 0.41984416
0.34747774 0.42329028 0.38639684
0.45301812 0.17071224 0.24845451
0.34549152 0.14055289 0.15289209
0.35063736 0.08924440 0.28410934
0.84670222 0.74083023 0.84093360
0.57481278 0.86394779 0.76249970
0.50853337 0.69998521 0.63514885
0.84426685 0.89081803 0.63495145
0.86361668 0.15534621 0.83822334
0.04419107 0.13148305 0.93625164
0.21223819 0.68152074 0.02258754
0.74416567 0.91979256 0.00814387
0.88921608 0.27684841 0.20296881
0.41019385 0.66613151 0.94959410
0.22305601 0.93950789 0.02605101
0.03677182 0.58298491 -0.06159198
0.74710948 0.97190813 0.77971116
0.56069405 0.52930734 0.46764055
0.86412377 0.72210238 0.46686417
0.14994337 0.74148316 0.99449537
0.71630765 0.60574580 0.44554558
No title
1
13.427422 0.218962 -1.356971
0.289523 10.390720 0.211158
-1.391199 0.439661 13.154424
C H O N
43 30 7 2
Direct configuration= 435
0.74470533 0.51877448 0.37531862
0.75523475 0.38583550 0.40059796
0.80106170 0.30487947 0.34063018
0.77327944 0.56949085 0.28614226
0.81888139 0.48877170 0.22607934
0.83628797 0.35769680 0.25621219
-0.00639595 0.28753471 0.21750583
0.04607950 0.19674799 0.17127035
0.15113576 0.19902943 0.18349915
0.04668845 0.38069781 0.27563768
0.15151045 0.38239186 0.28553569
0.20647997 0.29197599 0.24076076
0.32228222 0.29744146 0.25400692
0.34635259 0.40029442 0.17585770
0.41953273 0.49114206 0.20327848
0.44302721 0.58041929 0.13024413
0.29635500 0.40324376 0.07152386
0.31938074 0.49044946 -0.00272609
0.39355051 0.57910650 0.02675865
0.49939344 0.73127154 -0.03228263
0.49223246 0.86529395 -0.02968997
0.58100552 0.93291605 -0.01537113
0.59316753 0.66393572 -0.02115540
0.68114705 0.73265734 -0.00642858
0.67548510 0.86700749 -0.00311816
0.36915745 0.32587621 0.36640056
0.37030360 0.16642468 0.23304744
0.15034559 0.87701108 0.99221182
0.05674903 0.69632124 -0.05217710
0.98954832 0.81504079 0.91294790
0.88957860 0.82587134 0.86044004
0.84643929 0.95130655 0.83300078
0.71241918 0.88427694 0.70657485
0.61754287 0.83368295 0.70535591
0.58098582 0.74207836 0.63465980
0.64137753 0.70339346 0.56685614
0.62903912 0.60268149 0.48972777
0.78297719 0.69955202 0.48905586
0.73382562 0.75915216 0.56708629
0.77134207 0.85019122 0.63524247
0.90083642 0.06051584 0.86130829
0.00157143 0.04711873 0.91546417
0.04555156 0.92304951 0.93982211
0.81329720 0.20156653 0.36061049
0.73084218 0.34654698 0.46895065
0.76254475 0.67257387 0.26614348
0.84481028 0.52747765 0.15855456
0.18957494 0.12586437 0.14694446
0.00402673 0.12347857 0.12712866
0.00773977 0.45158690 0.31361846
0.19079347 0.45710202 0.33033787
0.49945268 0.65074018 0.15419329
0.45971073 0.49447640 0.28327995
0.23689641 0.33665416 0.04720839
0.28021871 0.49119123 0.91655440
0.57609085 0.03768102 -0.01274554
0.41784500 0.91445157 -0.03690442
0.59651069 0.55913079 0.97705163
0.75451407 0.68042061 0.00237503
0.45235042 0.31789071 0.38077527
0.34434420 0.25579370 0.41981058
0.34773650 0.42290741 0.38638029
0.45311980 0.17066649 0.24832830
0.34547807 0.14030211 0.15280278
0.35072311 0.08904284 0.28404788
0.84689786 0.74096851 0.84061019
0.57468731 0.86408082 0.76234704
0.50839513 0.69992054 0.63491725
0.84433837 0.89098484 0.63492847
0.86341710 0.15555366 0.83851815
0.04428077 0.13181388 0.93658917
0.21251845 0.68192175 0.02265441
0.74416735 0.92026291 0.00827126
0.88911534 0.27655931 0.20304969
0.41009220 0.66613408 0.94960740
0.22323430 0.93971274 0.02638658
0.03677253 0.58344018 -0.06177693
0.74708796 0.97205163 0.77952874
0.56050937 0.52937409 0.46748998
0.86411576 0.72234094 0.46658978
0.15006380 0.74184548 0.99464919
0.71628061 0.60586041 0.44533735
No title
1
13.426450 0.218349 -1.357370
0.289007 10.390835 0.211036
-1.391561 0.439601 13.153904
C H O N
43 30 7 2
Direct configuration= 436
0.74468295 0.51877214 0.37530918
0.75522963 0.38584158 0.40058553
0.80103604 0.30486901 0.34064613
0.77327856 0.56948237 0.28611739
0.81887549 0.48873524 0.22607333
0.83626814 0.35767036 0.25622721
-0.00640022 0.28749120 0.21751829
0.04605441 0.19668862 0.17129242
0.15113190 0.19898715 0.18352804
0.04667908 0.38065708 0.27563655
0.15152035 0.38235421 0.28554967
0.20647834 0.29193247 0.24077992
0.32230401 0.29739377 0.25400214
0.34636630 0.40023236 0.17586618
0.41953540 0.49113020 0.20327562
0.44303342 0.58039026 0.13025653
0.29634741 0.40320915 0.07152462
0.31937221 0.49041516 -0.00272819
0.39354856 0.57909961 0.02675493
0.49939231 0.73129383 -0.03228121
0.49222338 0.86531219 -0.02968528
0.58099592 0.93295578 -0.01534483
0.59316608 0.66397586 -0.02115143
0.68115636 0.73271634 -0.00642232
0.67548989 0.86707288 -0.00308906
0.36919378 0.32581264 0.36639559
0.37031538 0.16638606 0.23303754
0.15036008 0.87709133 0.99225478
0.05675081 0.69635091 -0.05218806
0.98954052 0.81509208 0.91295144
0.88958153 0.82590408 0.86042254
0.84642930 0.95132891 0.83299985
0.71241771 0.88430452 0.70654133
0.61752950 0.83369233 0.70533278
0.58097554 0.74207776 0.63463157
0.64135687 0.70339521 0.56681713
0.62901469 0.60267588 0.48969912
0.78296335 0.69956579 0.48903252
0.73380921 0.75916763 0.56706092
0.77134150 0.85020321 0.63522089
0.90082822 0.06054019 0.86136091
0.00159184 0.04716592 0.91551129
0.04557563 0.92310575 0.93986756
0.81328264 0.20155656 0.36064648
0.73082773 0.34657878 0.46895258
0.76255611 0.67255270 0.26609821
0.84482024 0.52742468 0.15853428
0.18955499 0.12579928 0.14697663
0.00398446 0.12340991 0.12715528
0.00774297 0.45157126 0.31360127
0.19081601 0.45707934 0.33033122
0.49948156 0.65072222 0.15421109
0.45974049 0.49442194 0.28328037
0.23689559 0.33659455 0.04719954
0.28019409 0.49117617 0.91654621
0.57606652 0.03771540 -0.01272760
0.41782329 0.91444671 -0.03690058
0.59651772 0.55916740 0.97703645
0.75452783 0.68049355 0.00238402
0.45238622 0.31784377 0.38077550
0.34438133 0.25573620 0.41980527
0.34777741 0.42284690 0.38637768
0.45313588 0.17065927 0.24830834
0.34547593 0.14026247 0.15278865
0.35073666 0.08901099 0.28403816
0.84692880 0.74099037 0.84055905
0.57466747 0.86410184 0.76232290
0.50837326 0.69991031 0.63488063
0.84434969 0.89101121 0.63492484
0.86338555 0.15558645 0.83856477
0.04429498 0.13186618 0.93664255
0.21256279 0.68198516 0.02266500
0.74416764 0.92033726 0.00829141
0.88909940 0.27651361 0.20306247
0.41007612 0.66613448 0.94960950
0.22326252 0.93974513 0.02643966
0.03677266 0.58351214 -0.06180617
0.74708455 0.97207432 0.77949990
0.56048016 0.52938463 0.46746616
0.86411449 0.72237864 0.46654639
0.15008286 0.74190276 0.99467352
0.71627633 0.60587853 0.44530442
No title
1
13.420172 0.215269 -1.359189
0.286428 10.391491 0.210824
-1.393102 0.439811 13.150875
C H O N
43 30 7 2
Direct configuration= 437
0.74462953 0.51871182 0.37517795
0.75516343 0.38589923 0.40059275
0.80088263 0.30485378 0.34069386
0.77324196 0.56933653 0.28603479
0.81883067 0.48846436 0.22609679
0.83621278 0.35748428 0.25631787
-0.00648279 0.28722928 0.21758562
0.04588388 0.19632354 0.17139785
0.15105419 0.19869750 0.18361992
0.04662183 0.38049141 0.27565057
0.15157697 0.38221767 0.28565600
0.20658201 0.29168074 0.24089349
0.32236510 0.29709683 0.25395954
0.34643075 0.39998613 0.17585516
0.41950876 0.49100170 0.20328029
0.44306129 0.58027339 0.13029547
0.29628540 0.40298456 0.07151828
0.31931327 0.49022956 -0.00272139
0.39355468 0.57901633 0.02675457
0.49930755 0.73142132 -0.03225875
0.49220505 0.86549364 -0.02966135
0.58092077 0.93318352 -0.01517202
0.59322144 0.66423498 -0.02111479
0.68120231 0.73305636 -0.00636314
0.67538251 0.86732920 -0.00295473
0.36941639 0.32546293 0.36641566
0.37034323 0.16617428 0.23291806
0.15041354 0.87739962 0.99248095
0.05676069 0.69671003 -0.05215996
0.98957233 0.81543847 0.91299162
0.88962691 0.82612540 0.86031331
0.84639545 0.95154907 0.83301520
0.71231407 0.88445025 0.70632905
0.61745106 0.83373823 0.70520136
0.58089571 0.74204288 0.63449287
0.64122798 0.70344187 0.56663140
0.62889884 0.60272368 0.48958766
0.78289453 0.69969134 0.48886371
0.73380774 0.75925575 0.56690076
0.77135661 0.85032366 0.63511886
0.90075303 0.06069103 0.86158945
0.00166059 0.04741719 0.91572884
0.04563335 0.92339981 0.94007981
0.81320443 0.20157572 0.36084730
0.73076524 0.34678209 0.46894099
0.76262866 0.67252771 0.26580328
0.84488340 0.52712441 0.15840949
0.18944473 0.12541656 0.14717385
0.00377121 0.12305620 0.12732689
0.00775883 0.45148345 0.31349532
0.19092251 0.45694657 0.33029582
0.49964437 0.65059720 0.15431212
0.45991720 0.49411797 0.28330044
0.23692863 0.33626779 0.04716203
0.28006189 0.49106103 0.91650386
0.57593720 0.03786941 -0.01262730
0.41773995 0.91439428 -0.03688527
0.59656147 0.55939004 0.97694362
0.75461534 0.68091714 0.00243636
0.45254305 0.31758733 0.38076162
0.34460153 0.25541322 0.41975936
0.34800562 0.42247209 0.38634952
0.45326633 0.17063171 0.24820175
0.34547571 0.14007143 0.15273065
0.35084391 0.08879221 0.28400944
0.84709598 0.74106024 0.84024169
0.57456937 0.86418717 0.76215694
0.50827102 0.69986898 0.63468842
0.84441952 0.89115092 0.63490323
0.86323676 0.15574274 0.83885495
0.04438547 0.13216503 0.93692651
0.21282212 0.68233953 0.02274568
0.74425699 0.92078889 0.00845340
0.88898015 0.27628035 0.20313056
0.41002164 0.66612490 0.94965737
0.22348827 0.93998979 0.02675643
0.03673548 0.58371797 -0.06199944
0.74711614 0.97216215 0.77934516
0.56026830 0.52939010 0.46731082
0.86404955 0.72257628 0.46634480
0.15019588 0.74222728 0.99479250
0.71623441 0.60592103 0.44506373
No title
1
13.418242 0.214322 -1.359748
0.285635 10.391692 0.210759
-1.393576 0.439875 13.149944
C H O N
43 30 7 2
Direct configuration= 438
0.74461309 0.51869327 0.37513759
0.75514308 0.38591695 0.40059497
0.80083545 0.30484909 0.34070853
0.77323069 0.56929169 0.28600939
0.81881687 0.48838109 0.22610399
0.83619575 0.35742708 0.25634574
-0.00650820 0.28714876 0.21760632
0.04583142 0.19621130 0.17143026
0.15103027 0.19860846 0.18364817
0.04660422 0.38044048 0.27565488
0.15159438 0.38217571 0.28568870
0.20661389 0.29160336 0.24092842
0.32238387 0.29700555 0.25394644
0.34645055 0.39991044 0.17585177
0.41950056 0.49096219 0.20328173
0.44306986 0.58023747 0.13030744
0.29626631 0.40291552 0.07151632
0.31929513 0.49017250 -0.00271931
0.39355655 0.57899073 0.02675445
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0.49219942 0.86554942 -0.02965399
0.58089768 0.93325351 -0.01511888
0.59323849 0.66431464 -0.02110352
0.68121647 0.73316088 -0.00634494
0.67534950 0.86740798 -0.00291343
0.36948483 0.32535544 0.36642183
0.37035178 0.16610918 0.23288132
0.15043002 0.87749439 0.99255050
0.05676374 0.69682042 -0.05215131
0.98958214 0.81554495 0.91300398
0.88964087 0.82619344 0.86027973
0.84638506 0.95161675 0.83301992
0.71228220 0.88449504 0.70626377
0.61742693 0.83375233 0.70516094
0.58087115 0.74203216 0.63445021
0.64118834 0.70345620 0.56657429
0.62886321 0.60273836 0.48955338
0.78287336 0.69972993 0.48881180
0.73380729 0.75928283 0.56685152
0.77136126 0.85036069 0.63508748
0.90072992 0.06073738 0.86165972
0.00168176 0.04749443 0.91579574
0.04565113 0.92349021 0.94014509
0.81318039 0.20158160 0.36090905
0.73074604 0.34684459 0.46893742
0.76265096 0.67252004 0.26571259
0.84490280 0.52703211 0.15837112
0.18941081 0.12529890 0.14723448
0.00370560 0.12294745 0.12737965
0.00776370 0.45145646 0.31346274
0.19095526 0.45690577 0.33028494
0.49969444 0.65055878 0.15434319
0.45997153 0.49402454 0.28330663
0.23693877 0.33616734 0.04715049
0.28002122 0.49102562 0.91649083
0.57589743 0.03791675 -0.01259646
0.41771431 0.91437815 -0.03688057
0.59657494 0.55945848 0.97691508
0.75464228 0.68104736 0.00245246
0.45259127 0.31750852 0.38075736
0.34466924 0.25531396 0.41974525
0.34807579 0.42235690 0.38634087
0.45330644 0.17062326 0.24816898
0.34547563 0.14001270 0.15271281
0.35087688 0.08872497 0.28400061
0.84714740 0.74108174 0.84014411
0.57453919 0.86421339 0.76210590
0.50823956 0.69985627 0.63462931
0.84444100 0.89119387 0.63489659
0.86319102 0.15579077 0.83894417
0.04441333 0.13225690 0.93701384
0.21290190 0.68244849 0.02277051
0.74428450 0.92092773 0.00850323
0.88894346 0.27620864 0.20315149
0.41000488 0.66612195 0.94967209
0.22355773 0.94006502 0.02685385
0.03672405 0.58378124 -0.06205887
0.74712586 0.97218915 0.77929758
0.56020314 0.52939176 0.46726304
0.86402958 0.72263703 0.46628281
0.15023067 0.74232705 0.99482909
0.71622151 0.60593410 0.44498971
No title
1
13.411644 0.211400 -1.361442
0.283215 10.391723 0.210859
-1.394874 0.440407 13.147782
C H O N
43 30 7 2
Direct configuration= 439
0.74462154 0.51867141 0.37500239
0.75504322 0.38596558 0.40065425
0.80072804 0.30478957 0.34074253
0.77318450 0.56921840 0.28589437
0.81882026 0.48819151 0.22603839
0.83619457 0.35722890 0.25638391
-0.00664525 0.28691524 0.21766105
0.04575193 0.19593907 0.17154025
0.15090052 0.19835059 0.18369885
0.04665508 0.38031821 0.27567430
0.15161709 0.38199826 0.28571500
0.20667097 0.29139192 0.24100172
0.32241609 0.29674063 0.25393670
0.34643955 0.39979771 0.17577792
0.41950249 0.49077142 0.20335944
0.44311826 0.58024203 0.13030989
0.29624460 0.40273434 0.07148668
0.31923948 0.49007369 -0.00272606
0.39354148 0.57882538 0.02679907
0.49923459 0.73159520 -0.03219821
0.49212043 0.86564404 -0.02963352
0.58082873 0.93343906 -0.01497527
0.59326657 0.66450293 -0.02107926
0.68123633 0.73343152 -0.00626656
0.67536001 0.86767177 -0.00279301
0.36962171 0.32510087 0.36642055
0.37041892 0.16594379 0.23280325
0.15059151 0.87765961 0.99278192
0.05677424 0.69701382 -0.05206336
0.98968763 0.81581711 0.91307594
0.88968410 0.82639854 0.86016756
0.84639021 0.95178388 0.83303975
0.71217084 0.88460241 0.70611312
0.61733627 0.83377016 0.70501831
0.58077858 0.74201027 0.63436319
0.64116030 0.70357348 0.56647128
0.62874612 0.60275551 0.48941011
0.78284151 0.69984522 0.48859204
0.73383654 0.75935909 0.56672326
0.77136924 0.85047826 0.63496900
0.90069708 0.06097922 0.86179595
0.00163480 0.04773355 0.91592231
0.04563244 0.92374691 0.94027776
0.81310796 0.20168259 0.36107419
0.73069513 0.34701368 0.46895472
0.76272602 0.67245769 0.26546098
0.84492167 0.52671493 0.15835958
0.18932915 0.12494798 0.14740629
0.00353182 0.12264535 0.12752909
0.00774270 0.45141859 0.31338516
0.19104504 0.45684388 0.33029398
0.49979654 0.65038926 0.15441634
0.46011075 0.49377891 0.28332246
0.23697194 0.33587256 0.04712115
0.27992440 0.49089198 0.91648020
0.57580084 0.03806255 -0.01250204
0.41765811 0.91434548 -0.03687809
0.59662053 0.55970878 0.97683569
0.75473274 0.68142906 0.00249756
0.45276018 0.31728408 0.38073927
0.34485321 0.25499789 0.41972841
0.34826112 0.42202194 0.38631583
0.45340436 0.17059731 0.24807000
0.34546803 0.13985902 0.15262411
0.35100438 0.08850569 0.28399023
0.84729540 0.74113563 0.83985385
0.57446516 0.86424898 0.76194223
0.50815319 0.69982330 0.63448706
0.84450422 0.89130393 0.63487550
0.86310953 0.15586802 0.83922716
0.04448406 0.13249284 0.93723077
0.21306038 0.68280396 0.02283132
0.74431047 0.92123957 0.00867120
0.88879143 0.27603799 0.20321629
0.40998352 0.66612742 0.94971957
0.22370832 0.94028077 0.02709492
0.03670702 0.58408779 -0.06221700
0.74713360 0.97227641 0.77916276
0.56005503 0.52941486 0.46714391
0.86394841 0.72280724 0.46615326
0.15032900 0.74252944 0.99491710
0.71607787 0.60595466 0.44483533
No title
1
13.409469 0.210437 -1.362000
0.282416 10.391733 0.210892
-1.395302 0.440582 13.147069
C H O N
43 30 7 2
Direct configuration= 440
0.74462432 0.51866420 0.37495781
0.75501028 0.38598160 0.40067379
0.80069261 0.30476993 0.34075373
0.77316925 0.56919423 0.28585643
0.81882136 0.48812900 0.22601675
0.83619417 0.35716355 0.25639650
-0.00669046 0.28683824 0.21767909
0.04572570 0.19584931 0.17157652
0.15085770 0.19826556 0.18371555
0.04667186 0.38027790 0.27568071
0.15162457 0.38193975 0.28572367
0.20668979 0.29132221 0.24102590
0.32242670 0.29665328 0.25393350
0.34643591 0.39976054 0.17575357
0.41950312 0.49070852 0.20338507
0.44313423 0.58024354 0.13031070
0.29623743 0.40267460 0.07147690
0.31922112 0.49004111 -0.00272829
0.39353650 0.57877086 0.02681378
0.49921913 0.73163961 -0.03218052
0.49209438 0.86567523 -0.02962678
0.58080600 0.93350022 -0.01492792
0.59327584 0.66456501 -0.02107126
0.68124290 0.73352075 -0.00624072
0.67536350 0.86775875 -0.00275330
0.36966684 0.32501695 0.36642013
0.37044105 0.16588927 0.23277751
0.15064480 0.87771409 0.99285824
0.05677771 0.69707758 -0.05203435
0.98972245 0.81590684 0.91309968
0.88969836 0.82646617 0.86013057
0.84639193 0.95183899 0.83304630
0.71213411 0.88463780 0.70606343
0.61730635 0.83377604 0.70497127
0.58074804 0.74200304 0.63433449
0.64115106 0.70361214 0.56643732
0.62870750 0.60276115 0.48936286
0.78283100 0.69988323 0.48851958
0.73384619 0.75938424 0.56668096
0.77137188 0.85051703 0.63492993
0.90068626 0.06105895 0.86184088
0.00161932 0.04781238 0.91596404
0.04562629 0.92383154 0.94032151
0.81308408 0.20171588 0.36112865
0.73067835 0.34706942 0.46896042
0.76275077 0.67243715 0.26537801
0.84492787 0.52661035 0.15835577
0.18930220 0.12483227 0.14746294
0.00347449 0.12254573 0.12757836
0.00773577 0.45140610 0.31335957
0.19107466 0.45682348 0.33029696
0.49983021 0.65033338 0.15444046
0.46015666 0.49369794 0.28332769
0.23698286 0.33577538 0.04711148
0.27989245 0.49084790 0.91647668
0.57576899 0.03811062 -0.01247091
0.41763957 0.91433470 -0.03687727
0.59663558 0.55979131 0.97680952
0.75476260 0.68155492 0.00251244
0.45281588 0.31721009 0.38073332
0.34491388 0.25489369 0.41972286
0.34832223 0.42191152 0.38630759
0.45343665 0.17058876 0.24803736
0.34546551 0.13980835 0.15259487
0.35104642 0.08843341 0.28398681
0.84734422 0.74115342 0.83975813
0.57444074 0.86426071 0.76188825
0.50812469 0.69981243 0.63444015
0.84452508 0.89134022 0.63486855
0.86308266 0.15589348 0.83932048
0.04450742 0.13257063 0.93730231
0.21311268 0.68292117 0.02285139
0.74431906 0.92134238 0.00872659
0.88874126 0.27598171 0.20323765
0.40997648 0.66612922 0.94973522
0.22375802 0.94035192 0.02717442
0.03670141 0.58418887 -0.06226915
0.74713615 0.97230519 0.77911830
0.56000617 0.52942246 0.46710462
0.86392164 0.72286335 0.46611053
0.15036145 0.74259617 0.99494613
0.71603049 0.60596143 0.44478441
No title
1
13.404069 0.207881 -1.363652
0.280318 10.391821 0.211125
-1.396592 0.441225 13.145708
C H O N
43 30 7 2
Direct configuration= 441
0.74460632 0.51869237 0.37489984
0.75494666 0.38600830 0.40064957
0.80059341 0.30477512 0.34081719
0.77316476 0.56916139 0.28564644
0.81882668 0.48796444 0.22596415
0.83615805 0.35704667 0.25641890
-0.00677239 0.28665969 0.21775055
0.04560593 0.19563964 0.17168259
0.15081158 0.19805305 0.18378855
0.04666893 0.38013885 0.27567521
0.15171862 0.38177041 0.28572454
0.20664243 0.29108403 0.24103591
0.32246475 0.29644366 0.25393196
0.34638269 0.39965129 0.17572741
0.41956768 0.49060864 0.20340446
0.44313784 0.58015004 0.13037947
0.29622897 0.40253094 0.07139389
0.31914500 0.48994968 -0.00275328
0.39353969 0.57865972 0.02685332
0.49922079 0.73172868 -0.03210755
0.49201000 0.86570549 -0.02958936
0.58077003 0.93362836 -0.01481406
0.59325682 0.66475218 -0.02105539
0.68127593 0.73376650 -0.00614595
0.67542229 0.86804012 -0.00263427
0.36976886 0.32477110 0.36639013
0.37052459 0.16573215 0.23274050
0.15076943 0.87783157 0.99303897
0.05682215 0.69728913 -0.05193681
0.98977764 0.81609134 0.91315351
0.88976803 0.82662227 0.86003209
0.84640136 0.95195188 0.83303945
0.71210052 0.88471833 0.70593695
0.61719677 0.83379454 0.70483712
0.58068989 0.74199456 0.63424028
0.64115472 0.70371317 0.56636805
0.62861798 0.60281589 0.48922553
0.78267807 0.69995804 0.48833805
0.73387471 0.75946955 0.56657353
0.77135315 0.85063461 0.63481170
0.90066708 0.06127117 0.86192667
0.00156964 0.04808429 0.91607414
0.04566724 0.92406280 0.94045707
0.81301874 0.20178881 0.36128565
0.73061145 0.34719260 0.46905104
0.76282252 0.67232624 0.26516170
0.84493515 0.52630671 0.15836821
0.18922915 0.12450537 0.14761890
0.00332839 0.12227319 0.12771825
0.00770885 0.45138368 0.31329361
0.19114006 0.45677022 0.33031441
0.49992805 0.65018576 0.15450345
0.46027838 0.49348250 0.28336934
0.23700476 0.33548949 0.04708138
0.27981679 0.49070676 0.91647879
0.57568994 0.03827976 -0.01237446
0.41755024 0.91434746 -0.03688779
0.59668288 0.56003222 0.97673962
0.75485144 0.68191707 0.00255318
0.45300154 0.31700099 0.38071045
0.34507223 0.25457317 0.41973364
0.34846954 0.42164314 0.38629835
0.45351734 0.17055989 0.24793982
0.34545338 0.13967121 0.15248385
0.35119417 0.08822546 0.28397247
0.84749150 0.74124048 0.83948817
0.57436853 0.86426969 0.76173778
0.50801711 0.69976278 0.63432791
0.84459006 0.89144256 0.63484729
0.86301235 0.15600561 0.83957983
0.04454659 0.13274449 0.93747236
0.21322903 0.68324833 0.02291123
0.74431225 0.92157613 0.00890122
0.88859489 0.27579268 0.20327277
0.40994562 0.66611886 0.94978005
0.22390386 0.94056363 0.02739351
0.03667904 0.58446116 -0.06240229
0.74710114 0.97241948 0.77899635
0.55985525 0.52942217 0.46700014
0.86396492 0.72304385 0.46596590
0.15045115 0.74274744 0.99503079
0.71588281 0.60598537 0.44464920
No title
1
13.400766 0.206318 -1.364662
0.279035 10.391874 0.211267
-1.397381 0.441618 13.144876
C H O N
43 30 7 2
Direct configuration= 442
0.74459530 0.51870960 0.37486438
0.75490772 0.38602463 0.40063475
0.80053271 0.30477827 0.34085601
0.77316200 0.56914131 0.28551798
0.81882991 0.48786379 0.22593197
0.83613594 0.35697518 0.25643261
-0.00682253 0.28655046 0.21779425
0.04553263 0.19551137 0.17174746
0.15078333 0.19792306 0.18383320
0.04666712 0.38005379 0.27567185
0.15177615 0.38166684 0.28572509
0.20661342 0.29093834 0.24104203
0.32248802 0.29631545 0.25393103
0.34635011 0.39958447 0.17571141
0.41960717 0.49054756 0.20341632
0.44314005 0.58009285 0.13042153
0.29622377 0.40244307 0.07134312
0.31909840 0.48989375 -0.00276857
0.39354163 0.57859174 0.02687752
0.49922182 0.73178316 -0.03206291
0.49195836 0.86572399 -0.02956648
0.58074804 0.93370673 -0.01474442
0.59324520 0.66486666 -0.02104568
0.68129617 0.73391682 -0.00608797
0.67545831 0.86821223 -0.00256145
0.36983126 0.32462074 0.36637178
0.37057569 0.16563606 0.23271786
0.15084571 0.87790343 0.99314954
0.05684936 0.69741853 -0.05187714
0.98981143 0.81620419 0.91318645
0.88981068 0.82671776 0.85997185
0.84640715 0.95202093 0.83303526
0.71207996 0.88476759 0.70585957
0.61712971 0.83380584 0.70475504
0.58065430 0.74198937 0.63418264
0.64115697 0.70377496 0.56632567
0.62856319 0.60284936 0.48914152
0.78258448 0.70000378 0.48822699
0.73389216 0.75952174 0.56650781
0.77134169 0.85070652 0.63473937
0.90065536 0.06140097 0.86197914
0.00153927 0.04825060 0.91614149
0.04569233 0.92420425 0.94054000
0.81297877 0.20183340 0.36138168
0.73057053 0.34726793 0.46910647
0.76286640 0.67225843 0.26502939
0.84493958 0.52612099 0.15837582
0.18918443 0.12430540 0.14771429
0.00323897 0.12210646 0.12780382
0.00769237 0.45136996 0.31325325
0.19118008 0.45673765 0.33032509
0.49998791 0.65009547 0.15454199
0.46035285 0.49335074 0.28339484
0.23701813 0.33531463 0.04706297
0.27977048 0.49062041 0.91648007
0.57564158 0.03838320 -0.01231547
0.41749558 0.91435525 -0.03689424
0.59671185 0.56017959 0.97669687
0.75490584 0.68213860 0.00257812
0.45311512 0.31687311 0.38069648
0.34516910 0.25437714 0.41974024
0.34855966 0.42147900 0.38629271
0.45356670 0.17054225 0.24788016
0.34544594 0.13958734 0.15241594
0.35128455 0.08809829 0.28396371
0.84758162 0.74129376 0.83932303
0.57432433 0.86427517 0.76164572
0.50795126 0.69973240 0.63425924
0.84462983 0.89150517 0.63483430
0.86296935 0.15607418 0.83973847
0.04457059 0.13285084 0.93757640
0.21330026 0.68344846 0.02294786
0.74430812 0.92171909 0.00900804
0.88850530 0.27567703 0.20329424
0.40992673 0.66611252 0.94980747
0.22399314 0.94069314 0.02752755
0.03666537 0.58462771 -0.06248375
0.74707972 0.97248939 0.77892175
0.55976290 0.52942197 0.46693622
0.86399141 0.72315427 0.46587743
0.15050607 0.74283997 0.99508258
0.71579243 0.60600000 0.44456647
No title
1
13.394938 0.203099 -1.366521
0.276429 10.392363 0.211748
-1.398809 0.442653 13.143989
C H O N
43 30 7 2
Direct configuration= 443
0.74454761 0.51880536 0.37476044
0.75482575 0.38609044 0.40061212
0.80046349 0.30482636 0.34090827
0.77316971 0.56904336 0.28532890
0.81881819 0.48767324 0.22591357
0.83601532 0.35689629 0.25647085
-0.00686831 0.28637361 0.21787981
0.04538685 0.19528332 0.17186358
0.15073460 0.19763869 0.18391413
0.04663337 0.37991818 0.27567268
0.15185841 0.38153409 0.28572760
0.20657045 0.29066379 0.24102840
0.32251936 0.29611110 0.25390520
0.34630290 0.39946896 0.17573870
0.41968365 0.49041718 0.20341766
0.44313416 0.57992556 0.13052505
0.29619724 0.40224507 0.07126497
0.31903484 0.48982157 -0.00281267
0.39354028 0.57854111 0.02689202
0.49919515 0.73181823 -0.03197689
0.49191002 0.86576964 -0.02948775
0.58072420 0.93384278 -0.01464558
0.59326361 0.66510427 -0.02101399
0.68135223 0.73422999 -0.00596822
0.67546053 0.86844908 -0.00242584
0.36996933 0.32430443 0.36634844
0.37064260 0.16544552 0.23265439
0.15093884 0.87811802 0.99330921
0.05691503 0.69770010 -0.05180738
0.98984680 0.81640180 0.91325074
0.88989154 0.82683073 0.85985890
0.84640771 0.95215506 0.83297825
0.71207987 0.88483255 0.70573109
0.61705215 0.83386254 0.70460492
0.58059177 0.74197607 0.63404381
0.64114079 0.70380113 0.56622868
0.62841160 0.60292317 0.48901499
0.78258725 0.70015090 0.48800705
0.73388003 0.75961269 0.56637712
0.77134305 0.85088209 0.63462098
0.90061588 0.06152656 0.86203648
0.00156941 0.04849504 0.91630281
0.04579978 0.92445319 0.94070869
0.81290570 0.20185762 0.36156863
0.73048908 0.34739261 0.46923664
0.76294137 0.67213954 0.26478298
0.84496556 0.52580715 0.15833692
0.18910268 0.12394690 0.14788786
0.00308903 0.12181434 0.12796938
0.00767952 0.45132212 0.31317042
0.19123371 0.45663674 0.33032779
0.50010069 0.64994436 0.15460705
0.46047973 0.49312492 0.28346396
0.23703555 0.33499040 0.04701711
0.27968579 0.49045210 0.91645789
0.57556074 0.03857472 -0.01219679
0.41733893 0.91441669 -0.03691865
0.59676578 0.56042766 0.97662274
0.75500804 0.68254658 0.00262491
0.45331748 0.31663755 0.38065425
0.34533820 0.25400667 0.41976638
0.34869650 0.42122654 0.38630352
0.45367091 0.17050233 0.24776735
0.34544330 0.13944576 0.15230828
0.35148329 0.08786123 0.28393823
0.84775775 0.74144683 0.83902071
0.57421743 0.86427232 0.76149914
0.50781779 0.69965793 0.63414628
0.84469364 0.89162053 0.63480425
0.86286672 0.15630829 0.84000349
0.04459066 0.13304100 0.93774232
0.21345420 0.68374313 0.02304462
0.74434849 0.92199447 0.00923635
0.88835931 0.27543327 0.20331682
0.40988204 0.66607309 0.94987094
0.22414193 0.94089083 0.02776266
0.03663266 0.58488234 -0.06260613
0.74701941 0.97263863 0.77879622
0.55961164 0.52944945 0.46683770
0.86389114 0.72329139 0.46573441
0.15058674 0.74306296 0.99518903
0.71568615 0.60607821 0.44439923
No title
1
13.392050 0.201503 -1.367442
0.275138 10.392605 0.211986
-1.399516 0.443166 13.143550
C H O N
43 30 7 2
Direct configuration= 444
0.74452396 0.51885280 0.37470892
0.75478512 0.38612304 0.40060091
0.80042918 0.30485017 0.34093417
0.77317351 0.56899483 0.28523520
0.81881236 0.48757882 0.22590445
0.83595552 0.35685719 0.25648980
-0.00689102 0.28628596 0.21792221
0.04531457 0.19517029 0.17192112
0.15071042 0.19749777 0.18395424
0.04661662 0.37985098 0.27567308
0.15189918 0.38146832 0.28572885
0.20654912 0.29052774 0.24102164
0.32253487 0.29600984 0.25389241
0.34627949 0.39941171 0.17575223
0.41972155 0.49035258 0.20341832
0.44313123 0.57984266 0.13057636
0.29618407 0.40214697 0.07122624
0.31900331 0.48978580 -0.00283452
0.39353961 0.57851602 0.02689921
0.49918194 0.73183560 -0.03193426
0.49188606 0.86579225 -0.02944874
0.58071240 0.93391018 -0.01459660
0.59327276 0.66522201 -0.02099829
0.68138006 0.73438517 -0.00590888
0.67546166 0.86856643 -0.00235864
0.37003775 0.32414771 0.36633689
0.37067575 0.16535111 0.23262294
0.15098504 0.87822436 0.99338835
0.05694762 0.69783963 -0.05177280
0.98986435 0.81649972 0.91328261
0.88993164 0.82688673 0.85980293
0.84640799 0.95222153 0.83295000
0.71207982 0.88486474 0.70566741
0.61701370 0.83389064 0.70453051
0.58056076 0.74196947 0.63397501
0.64113277 0.70381410 0.56618062
0.62833645 0.60295973 0.48895228
0.78258862 0.70022381 0.48789805
0.73387402 0.75965776 0.56631235
0.77134374 0.85096910 0.63456231
0.90059633 0.06158878 0.86206489
0.00158439 0.04861616 0.91638275
0.04585308 0.92457655 0.94079229
0.81286949 0.20186960 0.36166127
0.73044872 0.34745437 0.46930113
0.76297852 0.67208066 0.26466087
0.84497841 0.52565165 0.15831765
0.18906213 0.12376924 0.14797387
0.00301467 0.12166956 0.12805143
0.00767315 0.45129842 0.31312937
0.19126029 0.45658675 0.33032914
0.50015659 0.64986950 0.15463930
0.46054261 0.49301304 0.28349822
0.23704416 0.33482975 0.04699438
0.27964379 0.49036869 0.91644689
0.57552069 0.03866960 -0.01213799
0.41726128 0.91444712 -0.03693076
0.59679253 0.56055059 0.97658601
0.75505874 0.68274875 0.00264811
0.45341777 0.31652086 0.38063335
0.34542201 0.25382312 0.41977935
0.34876432 0.42110145 0.38630889
0.45372256 0.17048257 0.24771145
0.34544197 0.13937561 0.15225493
0.35158178 0.08774380 0.28392562
0.84784507 0.74152272 0.83887091
0.57416443 0.86427089 0.76142649
0.50775161 0.69962101 0.63409029
0.84472529 0.89167771 0.63478937
0.86281588 0.15642426 0.84013481
0.04460064 0.13313522 0.93782455
0.21353054 0.68388916 0.02309258
0.74436855 0.92213091 0.00934950
0.88828691 0.27531247 0.20332800
0.40985988 0.66605355 0.94990240
0.22421573 0.94098880 0.02787918
0.03661646 0.58500852 -0.06266679
0.74698951 0.97271258 0.77873401
0.55953666 0.52946305 0.46678886
0.86384144 0.72335932 0.46566353
0.15062676 0.74317345 0.99524179
0.71563345 0.60611697 0.44431633
No title
1
13.387090 0.198643 -1.369404
0.272825 10.393264 0.212464
-1.401080 0.444162 13.143096
C H O N
43 30 7 2
Direct configuration= 445
0.74445737 0.51893432 0.37457417
0.75468237 0.38623317 0.40064068
0.80038554 0.30485059 0.34100549
0.77316221 0.56889873 0.28515666
0.81879818 0.48743143 0.22586689
0.83583288 0.35674351 0.25649755
-0.00695688 0.28611665 0.21797960
0.04522843 0.19494470 0.17202254
0.15060673 0.19719750 0.18401872
0.04662732 0.37976167 0.27569346
0.15188689 0.38135528 0.28571027
0.20656481 0.29033402 0.24103472
0.32255371 0.29581352 0.25385364
0.34625161 0.39930570 0.17575811
0.41976367 0.49013816 0.20349162
0.44316497 0.57975433 0.13060639
0.29616799 0.40195532 0.07122435
0.31897622 0.48972679 -0.00285896
0.39351019 0.57848037 0.02692127
0.49912796 0.73187375 -0.03186149
0.49183358 0.86587129 -0.02935987
0.58067078 0.93407801 -0.01452623
0.59333658 0.66541768 -0.02095396
0.68143647 0.73465319 -0.00580631
0.67544884 0.86876093 -0.00222283
0.37017453 0.32387295 0.36634944
0.37071828 0.16519000 0.23252851
0.15105370 0.87849978 0.99351848
0.05698364 0.69801817 -0.05176943
0.98991966 0.81671902 0.91335806
0.88999433 0.82701781 0.85969391
0.84639014 0.95232772 0.83285963
0.71207530 0.88492898 0.70557102
0.61698083 0.83394997 0.70438775
0.58047972 0.74196013 0.63384251
0.64108607 0.70377569 0.56606853
0.62821718 0.60303765 0.48885450
0.78251924 0.70035434 0.48777128
0.73385156 0.75975896 0.56618957
0.77135377 0.85110924 0.63444341
0.90056560 0.06169903 0.86211335
0.00165285 0.04871219 0.91653800
0.04593699 0.92479578 0.94093144
0.81279980 0.20188333 0.36182919
0.73038719 0.34758534 0.46938522
0.76304220 0.67198012 0.26442836
0.84501551 0.52538711 0.15824038
0.18899131 0.12344370 0.14812544
0.00287852 0.12141489 0.12820885
0.00767398 0.45123566 0.31304910
0.19130905 0.45646616 0.33031779
0.50024369 0.64972117 0.15469197
0.46064027 0.49282232 0.28355013
0.23705051 0.33453379 0.04693726
0.27956232 0.49021676 0.91639168
0.57545594 0.03880580 -0.01202457
0.41711938 0.91450683 -0.03695406
0.59684399 0.56076392 0.97652387
0.75515082 0.68312124 0.00269414
0.45358192 0.31630534 0.38057929
0.34557406 0.25349368 0.41979987
0.34887997 0.42085767 0.38632894
0.45382247 0.17044001 0.24760348
0.34545144 0.13925416 0.15218425
0.35177920 0.08752098 0.28389761
0.84799231 0.74166193 0.83859025
0.57405402 0.86426021 0.76130314
0.50764680 0.69955214 0.63399220
0.84478405 0.89179419 0.63475368
0.86272330 0.15665485 0.84036080
0.04461637 0.13334818 0.93796872
0.21367625 0.68410832 0.02319760
0.74443627 0.92239367 0.00957775
0.88816663 0.27512239 0.20337127
0.40982205 0.66602072 0.94995684
0.22434304 0.94113614 0.02808171
0.03660370 0.58527908 -0.06274010
0.74694691 0.97283287 0.77863223
0.55938869 0.52949413 0.46671019
0.86383048 0.72348715 0.46548868
0.15070735 0.74341125 0.99535865
0.71558275 0.60624688 0.44414886
No title
1
13.383261 0.196435 -1.370920
0.271038 10.393773 0.212834
-1.402288 0.444931 13.142746
C H O N
43 30 7 2
Direct configuration= 446
0.74440594 0.51899723 0.37447013
0.75460304 0.38631815 0.40067137
0.80035186 0.30485090 0.34106054
0.77315346 0.56882456 0.28509603
0.81878721 0.48731766 0.22583789
0.83573816 0.35665574 0.25650351
-0.00700776 0.28598594 0.21802391
0.04516189 0.19477054 0.17210084
0.15052662 0.19696570 0.18406849
0.04663557 0.37969273 0.27570919
0.15187737 0.38126802 0.28569593
0.20657690 0.29018448 0.24104482
0.32256822 0.29566198 0.25382371
0.34623007 0.39922386 0.17576266
0.41979618 0.48997265 0.20354822
0.44319102 0.57968616 0.13062958
0.29615554 0.40180739 0.07122290
0.31895530 0.48968124 -0.00287782
0.39348747 0.57845285 0.02693829
0.49908628 0.73190318 -0.03180531
0.49179308 0.86593228 -0.02929127
0.58063867 0.93420754 -0.01447191
0.59338590 0.66556873 -0.02091974
0.68148008 0.73486008 -0.00572713
0.67543898 0.86891105 -0.00211798
0.37028012 0.32366088 0.36635915
0.37075109 0.16506566 0.23245561
0.15110678 0.87871239 0.99361895
0.05701148 0.69815600 -0.05176683
0.98996241 0.81688831 0.91341631
0.89004275 0.82711900 0.85960976
0.84637636 0.95240969 0.83278987
0.71207180 0.88497857 0.70549661
0.61695545 0.83399578 0.70427752
0.58041713 0.74195291 0.63374022
0.64104998 0.70374603 0.56598200
0.62812508 0.60309778 0.48877900
0.78246567 0.70045509 0.48767339
0.73383422 0.75983708 0.56609478
0.77136153 0.85121742 0.63435162
0.90054188 0.06178413 0.86215076
0.00170574 0.04878631 0.91665785
0.04600184 0.92496501 0.94103888
0.81274599 0.20189389 0.36195880
0.73033971 0.34768641 0.46945013
0.76309135 0.67190254 0.26424888
0.84504411 0.52518293 0.15818073
0.18893660 0.12319239 0.14824245
0.00277335 0.12121827 0.12833036
0.00767460 0.45118722 0.31298714
0.19134669 0.45637308 0.33030903
0.50031094 0.64960668 0.15473264
0.46071567 0.49267512 0.28359022
0.23705537 0.33430534 0.04689317
0.27949938 0.49009947 0.91634905
0.57540596 0.03891092 -0.01193702
0.41700980 0.91455289 -0.03697207
0.59688376 0.56092861 0.97647591
0.75522197 0.68340877 0.00272968
0.45370865 0.31613901 0.38053759
0.34569144 0.25323942 0.41981574
0.34896926 0.42066951 0.38634444
0.45389962 0.17040718 0.24752015
0.34545873 0.13916041 0.15212970
0.35193162 0.08734903 0.28387601
0.84810601 0.74176944 0.83837360
0.57396874 0.86425196 0.76120790
0.50756584 0.69949897 0.63391646
0.84482944 0.89188411 0.63472613
0.86265185 0.15683281 0.84053525
0.04462856 0.13351255 0.93808002
0.21378882 0.68427750 0.02327869
0.74448863 0.92259649 0.00975397
0.88807371 0.27497565 0.20340466
0.40979284 0.66599537 0.94999887
0.22444140 0.94124989 0.02823807
0.03659388 0.58548792 -0.06279670
0.74691402 0.97292573 0.77855365
0.55927441 0.52951811 0.46664944
0.86382202 0.72358583 0.46535370
0.15076963 0.74359481 0.99544887
0.71554359 0.60634717 0.44401956
No title
1
13.381352 0.195334 -1.371675
0.270148 10.394026 0.213018
-1.402890 0.445314 13.142571
C H O N
43 30 7 2
Direct configuration= 447
0.74438028 0.51902861 0.37441824
0.75456348 0.38636052 0.40068667
0.80033505 0.30485105 0.34108799
0.77314909 0.56878757 0.28506579
0.81878173 0.48726092 0.22582343
0.83569090 0.35661196 0.25650648
-0.00703315 0.28592076 0.21804600
0.04512869 0.19468368 0.17213988
0.15048664 0.19685009 0.18409330
0.04663968 0.37965835 0.27571703
0.15187262 0.38122451 0.28568878
0.20658292 0.29010991 0.24104985
0.32257545 0.29558641 0.25380878
0.34621932 0.39918304 0.17576492
0.41981239 0.48989012 0.20357645
0.44320401 0.57965217 0.13064115
0.29614932 0.40173361 0.07122218
0.31894485 0.48965852 -0.00288723
0.39347613 0.57843912 0.02694678
0.49906550 0.73191785 -0.03177730
0.49177288 0.86596269 -0.02925707
0.58062267 0.93427213 -0.01444482
0.59341051 0.66564406 -0.02090267
0.68150185 0.73496325 -0.00568763
0.67543408 0.86898591 -0.00206570
0.37033278 0.32355514 0.36636401
0.37076745 0.16500365 0.23241926
0.15113328 0.87881841 0.99366906
0.05702538 0.69822474 -0.05176553
0.98998374 0.81697273 0.91344536
0.89006691 0.82716947 0.85956779
0.84636949 0.95245057 0.83275507
0.71207006 0.88500330 0.70545950
0.61694278 0.83401862 0.70422255
0.58038590 0.74194931 0.63368920
0.64103198 0.70373124 0.56593883
0.62807914 0.60312776 0.48874133
0.78243895 0.70050533 0.48762457
0.73382557 0.75987604 0.56604751
0.77136541 0.85127138 0.63430584
0.90053006 0.06182656 0.86216941
0.00173214 0.04882328 0.91671763
0.04603420 0.92504941 0.94109246
0.81271916 0.20189915 0.36202344
0.73031603 0.34773681 0.46948250
0.76311585 0.67186387 0.26415937
0.84505836 0.52508111 0.15815098
0.18890929 0.12306706 0.14830080
0.00272088 0.12112020 0.12839096
0.00767490 0.45116307 0.31295624
0.19136547 0.45632667 0.33030467
0.50034448 0.64954960 0.15475294
0.46075328 0.49260172 0.28361022
0.23705777 0.33419142 0.04687118
0.27946798 0.49004097 0.91632779
0.57538104 0.03896333 -0.01189336
0.41695514 0.91457585 -0.03698106
0.59690360 0.56101074 0.97645199
0.75525749 0.68355217 0.00274741
0.45377185 0.31605608 0.38051680
0.34574998 0.25311263 0.41982366
0.34901378 0.42057568 0.38635217
0.45393810 0.17039082 0.24747859
0.34546236 0.13911366 0.15210249
0.35200764 0.08726330 0.28386526
0.84816273 0.74182307 0.83826557
0.57392619 0.86424784 0.76116039
0.50752545 0.69947245 0.63387868
0.84485209 0.89192895 0.63471239
0.86261623 0.15692154 0.84062224
0.04463466 0.13359452 0.93813552
0.21384499 0.68436188 0.02331914
0.74451477 0.92269763 0.00984186
0.88802736 0.27490246 0.20342130
0.40977827 0.66598272 0.95001982
0.22449047 0.94130662 0.02831606
0.03658899 0.58559207 -0.06282494
0.74689762 0.97297203 0.77851445
0.55921740 0.52953005 0.46661913
0.86381780 0.72363505 0.46528637
0.15080071 0.74368635 0.99549386
0.71552406 0.60639718 0.44395507
No title
1
13.375850 0.192938 -1.373700
0.268172 10.394655 0.213383
-1.404478 0.446127 13.141748
C H O N
43 30 7 2
Direct configuration= 448
0.74426480 0.51904371 0.37434229
0.75447453 0.38646876 0.40072985
0.80023817 0.30483586 0.34127453
0.77314371 0.56876533 0.28497435
0.81875279 0.48714289 0.22574074
0.83559626 0.35641591 0.25646777
-0.00712942 0.28574256 0.21809183
0.04501793 0.19441508 0.17224270
0.15042578 0.19656581 0.18421716
0.04661635 0.37952575 0.27570772
0.15187426 0.38105924 0.28563591
0.20656780 0.28994173 0.24108532
0.32260915 0.29533935 0.25378992
0.34620745 0.39898595 0.17576130
0.41985247 0.48969590 0.20364144
0.44325362 0.57953631 0.13065772
0.29614275 0.40159575 0.07122320
0.31889026 0.48948418 -0.00286713
0.39342195 0.57839105 0.02701369
0.49904751 0.73204718 -0.03169600
0.49164471 0.86606449 -0.02916410
0.58054344 0.93446796 -0.01437719
0.59345482 0.66581068 -0.02084773
0.68157029 0.73519043 -0.00558915
0.67547845 0.86929521 -0.00188980
0.37046137 0.32330816 0.36640633
0.37083266 0.16487356 0.23231794
0.15119045 0.87907162 0.99380425
0.05708512 0.69850937 -0.05179564
0.99004288 0.81722352 0.91350729
0.89014476 0.82740781 0.85945476
0.84635691 0.95258799 0.83264205
0.71205903 0.88510794 0.70535305
0.61687567 0.83404882 0.70407844
0.58029592 0.74194812 0.63354607
0.64094037 0.70371759 0.56583931
0.62800573 0.60316031 0.48860073
0.78239074 0.70064559 0.48751347
0.73377830 0.76000391 0.56592578
0.77135747 0.85136110 0.63416698
0.90054013 0.06201842 0.86225463
0.00175245 0.04894465 0.91683354
0.04608913 0.92521479 0.94122446
0.81263953 0.20191995 0.36220192
0.73026299 0.34791716 0.46952502
0.76318004 0.67173328 0.26391360
0.84510263 0.52481709 0.15804004
0.18882915 0.12270817 0.14845400
0.00256128 0.12085078 0.12856830
0.00768360 0.45109312 0.31287909
0.19142195 0.45615921 0.33026813
0.50043661 0.64939766 0.15480904
0.46084390 0.49240370 0.28366955
0.23706601 0.33388572 0.04679882
0.27939470 0.48988770 0.91625617
0.57532249 0.03908210 -0.01176653
0.41684724 0.91461493 -0.03699537
0.59697119 0.56122925 0.97639495
0.75536504 0.68395703 0.00280715
0.45392837 0.31581866 0.38044327
0.34591946 0.25277670 0.41983071
0.34914521 0.42023721 0.38638284
0.45402533 0.17034005 0.24734305
0.34547399 0.13897282 0.15202598
0.35223182 0.08702123 0.28381839
0.84829002 0.74193404 0.83795015
0.57382684 0.86421530 0.76099816
0.50744161 0.69940679 0.63377533
0.84492482 0.89208002 0.63465393
0.86256128 0.15707800 0.84086580
0.04464153 0.13383964 0.93828686
0.21396295 0.68460056 0.02343431
0.74457342 0.92296650 0.01010371
0.88790614 0.27474913 0.20351009
0.40973715 0.66598023 0.95004538
0.22468007 0.94151931 0.02854874
0.03657659 0.58579299 -0.06287510
0.74686980 0.97304686 0.77840024
0.55906102 0.52959160 0.46654781
0.86382608 0.72377679 0.46507897
0.15091147 0.74392736 0.99564122
0.71544407 0.60661312 0.44378366
No title
1
13.372523 0.191489 -1.374925
0.266977 10.395034 0.213604
-1.405438 0.446619 13.141250
C H O N
43 30 7 2
Direct configuration= 449
0.74419493 0.51905282 0.37429634
0.75442074 0.38653420 0.40075595
0.80017958 0.30482665 0.34138733
0.77314044 0.56875188 0.28491905
0.81873527 0.48707153 0.22569073
0.83553899 0.35629737 0.25644435
-0.00718767 0.28563480 0.21811953
0.04495091 0.19425266 0.17230487
0.15038894 0.19639390 0.18429206
0.04660223 0.37944556 0.27570209
0.15187523 0.38095931 0.28560394
0.20655865 0.28984003 0.24110677
0.32262952 0.29518997 0.25377852
0.34620025 0.39886677 0.17575910
0.41987670 0.48957847 0.20368075
0.44328361 0.57946626 0.13066775
0.29613876 0.40151239 0.07122382
0.31885721 0.48937876 -0.00285499
0.39338917 0.57836197 0.02705415
0.49903665 0.73212538 -0.03164684
0.49156720 0.86612602 -0.02910790
0.58049554 0.93458635 -0.01433630
0.59348164 0.66591143 -0.02081451
0.68161171 0.73532780 -0.00552958
0.67550534 0.86948222 -0.00178343
0.37053914 0.32315884 0.36643194
0.37087209 0.16479491 0.23225667
0.15122507 0.87922472 0.99388600
0.05712129 0.69868148 -0.05181385
0.99007868 0.81737517 0.91354475
0.89019187 0.82755194 0.85938641
0.84634930 0.95267108 0.83257370
0.71205235 0.88517121 0.70528867
0.61683505 0.83406708 0.70399129
0.58024147 0.74194739 0.63345950
0.64088494 0.70370933 0.56577912
0.62796131 0.60317999 0.48851569
0.78236159 0.70073040 0.48744627
0.73374971 0.76008123 0.56585215
0.77135266 0.85141536 0.63408301
0.90054624 0.06213442 0.86230617
0.00176476 0.04901803 0.91690363
0.04612239 0.92531479 0.94130428
0.81259138 0.20193251 0.36230984
0.73023092 0.34802620 0.46955072
0.76321884 0.67165434 0.26376499
0.84512938 0.52465747 0.15797296
0.18878066 0.12249115 0.14854664
0.00246471 0.12068784 0.12867552
0.00768885 0.45105082 0.31283243
0.19145610 0.45605796 0.33024604
0.50049234 0.64930580 0.15484297
0.46089871 0.49228398 0.28370544
0.23707096 0.33370088 0.04675506
0.27935035 0.48979502 0.91621286
0.57528709 0.03915391 -0.01168985
0.41678198 0.91463854 -0.03700403
0.59701210 0.56136138 0.97636046
0.75543015 0.68420185 0.00284329
0.45402303 0.31567512 0.38039882
0.34602196 0.25257360 0.41983500
0.34922469 0.42003256 0.38640140
0.45407809 0.17030937 0.24726109
0.34548101 0.13888767 0.15197972
0.35236741 0.08687490 0.28379008
0.84836701 0.74200117 0.83775942
0.57376672 0.86419562 0.76090005
0.50739088 0.69936708 0.63371281
0.84496883 0.89217138 0.63461858
0.86252807 0.15717259 0.84101308
0.04464572 0.13398784 0.93837838
0.21403433 0.68474489 0.02350397
0.74460895 0.92312907 0.01026207
0.88783280 0.27465641 0.20356376
0.40971228 0.66597871 0.95006083
0.22479479 0.94164793 0.02868947
0.03656910 0.58591447 -0.06290544
0.74685297 0.97309210 0.77833116
0.55896641 0.52962880 0.46650466
0.86383109 0.72386251 0.46495355
0.15097851 0.74407309 0.99573035
0.71539568 0.60674369 0.44368000
No title
1
13.366594 0.189466 -1.376284
0.265292 10.395142 0.213895
-1.406380 0.447274 13.139765
C H O N
43 30 7 2
Direct configuration= 450
0.74407908 0.51912091 0.37425104
0.75436714 0.38658982 0.40079359
0.80009080 0.30484908 0.34151762
0.77315045 0.56868864 0.28482357
0.81868958 0.48693962 0.22560708
0.83541586 0.35615685 0.25648982
-0.00726480 0.28547035 0.21814752
0.04483971 0.19402237 0.17242117
0.15038910 0.19617945 0.18445377
0.04652321 0.37925918 0.27563667
0.15190509 0.38080742 0.28555629
0.20652456 0.28964545 0.24112976
0.32267279 0.29495863 0.25381507
0.34625822 0.39862820 0.17579514
0.41990705 0.48948695 0.20366090
0.44332571 0.57927946 0.13074236
0.29607011 0.40134923 0.07119974
0.31879093 0.48919004 -0.00286257
0.39331186 0.57830486 0.02709882
0.49904671 0.73229443 -0.03157112
0.49147384 0.86621893 -0.02903137
0.58042557 0.93469731 -0.01425989
0.59348793 0.66608325 -0.02075667
0.68164934 0.73560063 -0.00545183
0.67551829 0.86975668 -0.00161548
0.37064065 0.32291915 0.36644975
0.37094992 0.16468510 0.23220601
0.15140587 0.87942504 0.99408044
0.05719435 0.69884292 -0.05184368
0.99011224 0.81755103 0.91354172
0.89022154 0.82776147 0.85925593
0.84639746 0.95290087 0.83249898
0.71199073 0.88524763 0.70514381
0.61675822 0.83406509 0.70386700
0.58015586 0.74196038 0.63334559
0.64081602 0.70376418 0.56568962
0.62793628 0.60319903 0.48838227
0.78245401 0.70089434 0.48731917
0.73365831 0.76016058 0.56573102
0.77135790 0.85150103 0.63399524
0.90055834 0.06231235 0.86240032
0.00175615 0.04926512 0.91697291
0.04615319 0.92547052 0.94141433
0.81251001 0.20193539 0.36249249
0.73018239 0.34822301 0.46957243
0.76326334 0.67156870 0.26355049
0.84516510 0.52444478 0.15785416
0.18869776 0.12217575 0.14868923
0.00229107 0.12041947 0.12883222
0.00770079 0.45098969 0.31277862
0.19151004 0.45586085 0.33017792
0.50058299 0.64918752 0.15489508
0.46096895 0.49210808 0.28377045
0.23711178 0.33347733 0.04669549
0.27932308 0.48966180 0.91619143
0.57523429 0.03928739 -0.01157240
0.41668048 0.91467230 -0.03700374
0.59708359 0.56152496 0.97632118
0.75556330 0.68454744 0.00291448
0.45414650 0.31545518 0.38032470
0.34618269 0.25228568 0.41983133
0.34934302 0.41968925 0.38645371
0.45414452 0.17026623 0.24711356
0.34548424 0.13874266 0.15188918
0.35258064 0.08667114 0.28371406
0.84848217 0.74213157 0.83747919
0.57369697 0.86414794 0.76072388
0.50733295 0.69931291 0.63362001
0.84501068 0.89231420 0.63453309
0.86252842 0.15722931 0.84122967
0.04462329 0.13416654 0.93850752
0.21411001 0.68496593 0.02361722
0.74467148 0.92339305 0.01052138
0.88773134 0.27449756 0.20365544
0.40967348 0.66599289 0.95007587
0.22492618 0.94185251 0.02887172
0.03659502 0.58619578 -0.06291332
0.74684705 0.97312486 0.77822028
0.55884176 0.52969869 0.46643427
0.86376218 0.72398056 0.46478838
0.15104378 0.74429128 0.99584583
0.71525382 0.60692831 0.44351919
No title
1
13.364406 0.188719 -1.376786
0.264671 10.395181 0.214003
-1.406728 0.447516 13.139218
C H O N
43 30 7 2
Direct configuration= 451
0.74403632 0.51914602 0.37423431
0.75434736 0.38661033 0.40080747
0.80005804 0.30485734 0.34156569
0.77315414 0.56866531 0.28478834
0.81867271 0.48689095 0.22557622
0.83537042 0.35610500 0.25650659
-0.00729328 0.28540968 0.21815784
0.04479866 0.19393740 0.17246407
0.15038915 0.19610033 0.18451344
0.04649404 0.37919042 0.27561252
0.15191610 0.38075138 0.28553871
0.20651198 0.28957367 0.24113825
0.32268875 0.29487329 0.25382856
0.34627961 0.39854018 0.17580844
0.41991825 0.48945319 0.20365358
0.44334125 0.57921054 0.13076989
0.29604476 0.40128904 0.07119085
0.31876646 0.48912042 -0.00286537
0.39328333 0.57828378 0.02711529
0.49905043 0.73235679 -0.03154318
0.49143938 0.86625320 -0.02900314
0.58039975 0.93473824 -0.01423170
0.59349026 0.66614664 -0.02073533
0.68166324 0.73570128 -0.00542314
0.67552309 0.86985793 -0.00155352
0.37067811 0.32283073 0.36645633
0.37097864 0.16464459 0.23218732
0.15147262 0.87949895 0.99415219
0.05722133 0.69890248 -0.05185469
0.99012463 0.81761591 0.91354061
0.89023250 0.82783878 0.85920779
0.84641525 0.95298566 0.83247142
0.71196798 0.88527583 0.70509036
0.61672986 0.83406436 0.70382114
0.58012426 0.74196517 0.63330356
0.64079059 0.70378442 0.56565660
0.62792704 0.60320605 0.48833304
0.78248813 0.70095483 0.48727227
0.73362457 0.76018985 0.56568631
0.77135984 0.85153264 0.63396285
0.90056282 0.06237800 0.86243506
0.00175298 0.04935627 0.91699847
0.04616457 0.92552797 0.94145493
0.81247998 0.20193644 0.36255988
0.73016448 0.34829562 0.46958043
0.76327975 0.67153712 0.26347135
0.84517827 0.52436632 0.15781033
0.18866716 0.12205939 0.14874183
0.00222697 0.12032044 0.12889003
0.00770519 0.45096714 0.31275876
0.19152994 0.45578813 0.33015279
0.50061644 0.64914389 0.15491431
0.46099487 0.49204318 0.28379444
0.23712683 0.33339487 0.04667351
0.27931301 0.48961265 0.91618352
0.57521481 0.03933662 -0.01152907
0.41664303 0.91468475 -0.03700363
0.59710998 0.56158531 0.97630670
0.75561247 0.68467495 0.00294075
0.45419206 0.31537405 0.38029736
0.34624200 0.25217947 0.41982999
0.34938667 0.41956260 0.38647302
0.45416903 0.17025033 0.24705912
0.34548542 0.13868917 0.15185578
0.35265933 0.08659599 0.28368602
0.84852468 0.74217969 0.83737580
0.57367121 0.86413035 0.76065888
0.50731157 0.69929292 0.63358577
0.84502614 0.89236689 0.63450155
0.86252855 0.15725023 0.84130958
0.04461502 0.13423246 0.93855516
0.21413795 0.68504748 0.02365901
0.74469458 0.92349043 0.01061706
0.88769388 0.27443895 0.20368927
0.40965915 0.66599812 0.95008142
0.22497469 0.94192798 0.02893897
0.03660460 0.58629957 -0.06291623
0.74684487 0.97313694 0.77817937
0.55879575 0.52972447 0.46640829
0.86373675 0.72402412 0.46472744
0.15106789 0.74437178 0.99588844
0.71520147 0.60699641 0.44345985
No title
1
13.359079 0.187212 -1.377797
0.263417 10.395705 0.214469
-1.407395 0.448349 13.137554
C H O N
43 30 7 2
Direct configuration= 452
0.74394686 0.51924385 0.37416466
0.75429814 0.38670608 0.40083960
0.79999545 0.30484823 0.34162498
0.77315663 0.56857425 0.28470590
0.81862153 0.48673084 0.22549881
0.83524189 0.35604738 0.25659596
-0.00738688 0.28522628 0.21816132
0.04473405 0.19371538 0.17258408
0.15035029 0.19585776 0.18464201
0.04645149 0.37904463 0.27555602
0.15189299 0.38060010 0.28548987
0.20653175 0.28937222 0.24117013
0.32273275 0.29467130 0.25388808
0.34635395 0.39830670 0.17582137
0.41994583 0.48933326 0.20367862
0.44339126 0.57907566 0.13081261
0.29598196 0.40109617 0.07121059
0.31872115 0.48898942 -0.00289122
0.39320395 0.57821308 0.02712678
0.49902818 0.73247580 -0.03147832
0.49139545 0.86635402 -0.02894123
0.58035134 0.93485658 -0.01412954
0.59351051 0.66633547 -0.02067325
0.68169637 0.73598699 -0.00534903
0.67551197 0.87006045 -0.00140062
0.37077693 0.32255960 0.36644800
0.37104010 0.16452404 0.23213789
0.15159937 0.87961809 0.99432065
0.05730439 0.69913947 -0.05186103
0.99015330 0.81774691 0.91348723
0.89023362 0.82801041 0.85906304
0.84647665 0.95319536 0.83241607
0.71189841 0.88533314 0.70493378
0.61666083 0.83404499 0.70369378
0.58004555 0.74198523 0.63321166
0.64073834 0.70385331 0.56553782
0.62790128 0.60326820 0.48824064
0.78242523 0.70108746 0.48719224
0.73358612 0.76028345 0.56557909
0.77135619 0.85160463 0.63389119
0.90056225 0.06253241 0.86252172
0.00177787 0.04957085 0.91707472
0.04619394 0.92575864 0.94154974
0.81239317 0.20194480 0.36274851
0.73010652 0.34848314 0.46962183
0.76330877 0.67148365 0.26328184
0.84519763 0.52417720 0.15770459
0.18858263 0.12179024 0.14889086
0.00204793 0.12005347 0.12903805
0.00771960 0.45089080 0.31271072
0.19159361 0.45559433 0.33007302
0.50069262 0.64902971 0.15496133
0.46103708 0.49188643 0.28383109
0.23715878 0.33319513 0.04661456
0.27930859 0.48948816 0.91618672
0.57516004 0.03946733 -0.01141951
0.41652308 0.91472667 -0.03699178
0.59717805 0.56172754 0.97628226
0.75574285 0.68499312 0.00301904
0.45429952 0.31516630 0.38022825
0.34639356 0.25190845 0.41983203
0.34948803 0.41925292 0.38655015
0.45424610 0.17021881 0.24690606
0.34548642 0.13855140 0.15177471
0.35286025 0.08640451 0.28359984
0.84862860 0.74234725 0.83711949
0.57360362 0.86408556 0.76049843
0.50725060 0.69923579 0.63349887
0.84503654 0.89249829 0.63439497
0.86254264 0.15730141 0.84149095
0.04458975 0.13440248 0.93868045
0.21418880 0.68525081 0.02377554
0.74475560 0.92376198 0.01087528
0.88758145 0.27425728 0.20378079
0.40962243 0.66601427 0.95011583
0.22514491 0.94218315 0.02912552
0.03664146 0.58649439 -0.06291087
0.74684360 0.97317988 0.77807228
0.55869623 0.52977837 0.46633020
0.86380647 0.72418037 0.46454621
0.15113581 0.74455320 0.99599185
0.71506373 0.60712540 0.44328072
No title
1
13.357208 0.186682 -1.378152
0.262977 10.395888 0.214633
-1.407629 0.448642 13.136970
C H O N
43 30 7 2
Direct configuration= 453
0.74391544 0.51927820 0.37414019
0.75428086 0.38673970 0.40085088
0.79997346 0.30484503 0.34164580
0.77315750 0.56854228 0.28467695
0.81860354 0.48667462 0.22547163
0.83519674 0.35602713 0.25662733
-0.00741976 0.28516188 0.21816254
0.04471135 0.19363741 0.17262622
0.15033663 0.19577259 0.18468716
0.04643654 0.37899344 0.27553617
0.15188486 0.38054698 0.28547272
0.20653869 0.28930149 0.24118133
0.32274821 0.29460038 0.25390898
0.34638006 0.39822472 0.17582592
0.41995551 0.48929115 0.20368742
0.44340883 0.57902830 0.13082762
0.29595990 0.40102845 0.07121752
0.31870523 0.48894343 -0.00290030
0.39317606 0.57818825 0.02713081
0.49902037 0.73251759 -0.03145554
0.49138002 0.86638941 -0.02891949
0.58033433 0.93489813 -0.01409366
0.59351763 0.66640177 -0.02065145
0.68170801 0.73608731 -0.00532301
0.67550807 0.87013155 -0.00134693
0.37081163 0.32246441 0.36644508
0.37106169 0.16448171 0.23212053
0.15164390 0.87965993 0.99437982
0.05733358 0.69922268 -0.05186326
0.99016338 0.81779291 0.91346849
0.89023402 0.82807068 0.85901220
0.84649822 0.95326900 0.83239664
0.71187397 0.88535326 0.70487879
0.61663658 0.83403819 0.70364905
0.58001789 0.74199228 0.63317939
0.64071998 0.70387751 0.56549611
0.62789223 0.60329003 0.48820819
0.78240314 0.70113402 0.48716414
0.73357262 0.76031632 0.56554144
0.77135491 0.85162991 0.63386603
0.90056205 0.06258662 0.86255216
0.00178662 0.04964619 0.91710150
0.04620427 0.92583963 0.94158303
0.81236268 0.20194772 0.36281475
0.73008617 0.34854898 0.46963636
0.76331896 0.67146488 0.26321529
0.84520442 0.52411080 0.15766746
0.18855293 0.12169573 0.14894320
0.00198504 0.11995972 0.12909003
0.00772466 0.45086399 0.31269385
0.19161597 0.45552629 0.33004501
0.50071937 0.64898962 0.15497784
0.46105191 0.49183138 0.28384396
0.23716999 0.33312500 0.04659386
0.27930703 0.48944444 0.91618784
0.57514081 0.03951321 -0.01138104
0.41648095 0.91474138 -0.03698762
0.59720197 0.56177748 0.97627368
0.75578866 0.68510484 0.00304653
0.45433727 0.31509336 0.38020399
0.34644680 0.25181330 0.41983276
0.34952363 0.41914418 0.38657724
0.45427317 0.17020775 0.24685230
0.34548677 0.13850303 0.15174624
0.35293082 0.08633728 0.28356959
0.84866510 0.74240609 0.83702948
0.57357987 0.86406984 0.76044208
0.50722917 0.69921573 0.63346835
0.84504020 0.89254444 0.63435753
0.86254760 0.15731937 0.84155465
0.04458088 0.13446218 0.93872445
0.21420667 0.68532221 0.02381647
0.74477705 0.92385732 0.01096596
0.88754195 0.27419349 0.20381293
0.40960953 0.66601994 0.95012792
0.22520471 0.94227275 0.02919104
0.03665442 0.58656279 -0.06290898
0.74684315 0.97319496 0.77803467
0.55866127 0.52979729 0.46630277
0.86383097 0.72423524 0.46448257
0.15115968 0.74461691 0.99602818
0.71501534 0.60717070 0.44321780
No title
1
13.353669 0.185758 -1.378515
0.262223 10.396766 0.215150
-1.407777 0.449463 13.135802
C H O N
43 30 7 2
Direct configuration= 454
0.74389610 0.51931453 0.37405363
0.75424766 0.38685931 0.40085233
0.79991790 0.30481274 0.34169101
0.77313731 0.56852226 0.28460100
0.81855675 0.48658847 0.22542381
0.83515956 0.35600591 0.25665742
-0.00751100 0.28502717 0.21816278
0.04467178 0.19344275 0.17268862
0.15028049 0.19556401 0.18474299
0.04643392 0.37894520 0.27551493
0.15184502 0.38042010 0.28543160
0.20658670 0.28914968 0.24121693
0.32278379 0.29447132 0.25392900
0.34641614 0.39807604 0.17580424
0.41998052 0.48915169 0.20375415
0.44343334 0.57899601 0.13079889
0.29598398 0.40092374 0.07126008
0.31869776 0.48888477 -0.00287509
0.39315818 0.57813934 0.02712415
0.49896241 0.73252287 -0.03141848
0.49135103 0.86647160 -0.02889537
0.58032044 0.93504631 -0.01398795
0.59356110 0.66652259 -0.02060874
0.68175905 0.73622495 -0.00526636
0.67552884 0.87025999 -0.00124180
0.37088688 0.32226626 0.36643556
0.37109283 0.16438366 0.23205340
0.15170061 0.87979882 0.99447910
0.05735889 0.69937389 -0.05185628
0.99020190 0.81793364 0.91339595
0.89026347 0.82817909 0.85891538
0.84650288 0.95332558 0.83234907
0.71185758 0.88540349 0.70479695
0.61660094 0.83403076 0.70355786
0.57997386 0.74198211 0.63309837
0.64068391 0.70393885 0.56539396
0.62780429 0.60335465 0.48816773
0.78237858 0.70122261 0.48706221
0.73361094 0.76040491 0.56548440
0.77134645 0.85167321 0.63380166
0.90056456 0.06265667 0.86260536
0.00184030 0.04971634 0.91717928
0.04624877 0.92599315 0.94163985
0.81229547 0.20197020 0.36295159
0.73002998 0.34866776 0.46969966
0.76332888 0.67141932 0.26311012
0.84519212 0.52397661 0.15762518
0.18849804 0.12153367 0.14905615
0.00187182 0.11978855 0.12920591
0.00773637 0.45078244 0.31265712
0.19167119 0.45540479 0.32998180
0.50075649 0.64890702 0.15500496
0.46105870 0.49173786 0.28384824
0.23714983 0.33296346 0.04654616
0.27930484 0.48936040 0.91617959
0.57509718 0.03959381 -0.01130848
0.41638993 0.91477418 -0.03696472
0.59724564 0.56190365 0.97627404
0.75584886 0.68533256 0.00310686
0.45441509 0.31495182 0.38016343
0.34654477 0.25161245 0.41985195
0.34958218 0.41894767 0.38665449
0.45434726 0.17019849 0.24673751
0.34548638 0.13842163 0.15171110
0.35305708 0.08618502 0.28351727
0.84870669 0.74254899 0.83685585
0.57352014 0.86405025 0.76036041
0.50716852 0.69916597 0.63341089
0.84501329 0.89262621 0.63426238
0.86254279 0.15741653 0.84163535
0.04458078 0.13461776 0.93882378
0.21424216 0.68542824 0.02391519
0.74478659 0.92404126 0.01114536
0.88742777 0.27404808 0.20388531
0.40957652 0.66603285 0.95017446
0.22529920 0.94242022 0.02930280
0.03670997 0.58667751 -0.06288843
0.74682922 0.97325916 0.77795180
0.55863434 0.52983462 0.46624945
0.86382770 0.72433601 0.46439361
0.15122526 0.74474326 0.99609673
0.71497085 0.60726079 0.44309864
No title
1
13.350050 0.184813 -1.378887
0.261452 10.397662 0.215679
-1.407927 0.450303 13.134608
C H O N
43 30 7 2
Direct configuration= 455
0.74387632 0.51935167 0.37396512
0.75421371 0.38698158 0.40085381
0.79986108 0.30477972 0.34173724
0.77311666 0.56850179 0.28452335
0.81850889 0.48650041 0.22537491
0.83512154 0.35598420 0.25668817
-0.00760430 0.28488945 0.21816302
0.04463131 0.19324375 0.17275242
0.15022306 0.19535078 0.18480009
0.04643123 0.37889589 0.27549320
0.15180426 0.38029040 0.28538957
0.20663579 0.28899449 0.24125334
0.32282016 0.29433939 0.25394947
0.34645304 0.39792406 0.17578208
0.42000609 0.48900912 0.20382239
0.44345841 0.57896300 0.13076953
0.29600861 0.40081669 0.07130360
0.31869012 0.48882480 -0.00284930
0.39313990 0.57808935 0.02711733
0.49890314 0.73252826 -0.03138059
0.49132139 0.86655561 -0.02887071
0.58030625 0.93519778 -0.01387986
0.59360557 0.66664609 -0.02056508
0.68181125 0.73636565 -0.00520844
0.67555009 0.87039129 -0.00113431
0.37096382 0.32206371 0.36642583
0.37112466 0.16428343 0.23198477
0.15175862 0.87994080 0.99458061
0.05738479 0.69952846 -0.05184914
0.99024129 0.81807752 0.91332178
0.89029358 0.82828992 0.85881639
0.84650765 0.95338343 0.83230044
0.71184081 0.88545485 0.70471327
0.61656448 0.83402317 0.70346462
0.57992882 0.74197172 0.63301554
0.64064703 0.70400157 0.56528953
0.62771436 0.60342070 0.48812636
0.78235347 0.70131317 0.48695799
0.73365013 0.76049548 0.56542608
0.77133781 0.85171747 0.63373584
0.90056713 0.06272827 0.86265975
0.00189519 0.04978805 0.91725881
0.04629429 0.92615008 0.94169794
0.81222675 0.20199316 0.36309149
0.72997253 0.34878917 0.46976437
0.76333901 0.67137275 0.26300259
0.84517954 0.52383943 0.15758196
0.18844190 0.12136800 0.14917163
0.00175604 0.11961355 0.12932440
0.00774834 0.45069909 0.31261957
0.19172766 0.45528060 0.32991719
0.50079445 0.64882259 0.15503269
0.46106563 0.49164225 0.28385261
0.23712920 0.33279832 0.04649739
0.27930260 0.48927449 0.91617115
0.57505256 0.03967618 -0.01123429
0.41629687 0.91480771 -0.03694132
0.59729030 0.56203262 0.97627441
0.75591043 0.68556534 0.00316854
0.45449467 0.31480714 0.38012197
0.34664495 0.25140715 0.41987159
0.34964205 0.41874679 0.38673348
0.45442301 0.17018904 0.24662014
0.34548597 0.13833842 0.15167516
0.35318619 0.08602937 0.28346380
0.84874922 0.74269508 0.83667833
0.57345906 0.86403022 0.76027692
0.50710650 0.69911510 0.63335214
0.84498578 0.89270981 0.63416509
0.86253787 0.15751583 0.84171785
0.04458069 0.13477679 0.93892534
0.21427847 0.68553662 0.02401613
0.74479635 0.92422928 0.01132877
0.88731100 0.27389942 0.20395931
0.40954278 0.66604604 0.95022204
0.22539584 0.94257097 0.02941706
0.03676679 0.58679478 -0.06286742
0.74681497 0.97332480 0.77786707
0.55860681 0.52987279 0.46619493
0.86382437 0.72443903 0.46430265
0.15129232 0.74487243 0.99616681
0.71492535 0.60735290 0.44297679
No title
1
13.347431 0.183994 -1.379020
0.260796 10.398337 0.216109
-1.407895 0.450979 13.133873
C H O N
43 30 7 2
Direct configuration= 456
0.74386939 0.51939441 0.37390437
0.75418876 0.38702844 0.40086407
0.79980411 0.30479704 0.34178013
0.77309676 0.56850663 0.28444048
0.81847124 0.48646301 0.22534127
0.83510420 0.35594058 0.25670538
-0.00765633 0.28479964 0.21817716
0.04456397 0.19310225 0.17279662
0.15020772 0.19521867 0.18485743
0.04639427 0.37882962 0.27545501
0.15182215 0.38019177 0.28536562
0.20663552 0.28885416 0.24126964
0.32284880 0.29422970 0.25393800
0.34648702 0.39781983 0.17579929
0.42002632 0.48893154 0.20381230
0.44345758 0.57890257 0.13077953
0.29602306 0.40073132 0.07129496
0.31868376 0.48878055 -0.00282373
0.39315171 0.57805619 0.02711980
0.49887887 0.73255742 -0.03135218
0.49128859 0.86659199 -0.02885693
0.58030149 0.93527902 -0.01379334
0.59362789 0.66672669 -0.02053802
0.68184636 0.73647028 -0.00516282
0.67556808 0.87049333 -0.00105490
0.37101534 0.32193688 0.36643425
0.37116380 0.16421057 0.23194121
0.15180644 0.88007095 0.99465267
0.05739899 0.69961055 -0.05183948
0.99029160 0.81820648 0.91326714
0.89033459 0.82836358 0.85874442
0.84649472 0.95342706 0.83226099
0.71183037 0.88549373 0.70466973
0.61654131 0.83403207 0.70340567
0.57990052 0.74195543 0.63294740
0.64063037 0.70406749 0.56521876
0.62767045 0.60349911 0.48808797
0.78234578 0.70137232 0.48685920
0.73366183 0.76052943 0.56536537
0.77134028 0.85176448 0.63368404
0.90056957 0.06276189 0.86269284
0.00192920 0.04986289 0.91732014
0.04634747 0.92621232 0.94173759
0.81217377 0.20200754 0.36319792
0.72992961 0.34889113 0.46980752
0.76334124 0.67133929 0.26293183
0.84515953 0.52373690 0.15755886
0.18841176 0.12123138 0.14925073
0.00167582 0.11948134 0.12941482
0.00775235 0.45063839 0.31259572
0.19176578 0.45518662 0.32986049
0.50082081 0.64876841 0.15505019
0.46107516 0.49157615 0.28387566
0.23711648 0.33268832 0.04647066
0.27930259 0.48921127 0.91616898
0.57501698 0.03975889 -0.01117758
0.41623538 0.91482980 -0.03691701
0.59732494 0.56214346 0.97628382
0.75595614 0.68573035 0.00321820
0.45456392 0.31469894 0.38009656
0.34671741 0.25124592 0.41989224
0.34968647 0.41858452 0.38679557
0.45447726 0.17018488 0.24652666
0.34547921 0.13828078 0.15164229
0.35327530 0.08590504 0.28342918
0.84876495 0.74280515 0.83654758
0.57341203 0.86401742 0.76022340
0.50705738 0.69907589 0.63330883
0.84496032 0.89277302 0.63408551
0.86253150 0.15760362 0.84176183
0.04458500 0.13489512 0.93900541
0.21431392 0.68559704 0.02410295
0.74479354 0.92436509 0.01146457
0.88722430 0.27378256 0.20401090
0.40950401 0.66605816 0.95024972
0.22544370 0.94265806 0.02949102
0.03682226 0.58690468 -0.06284309
0.74679729 0.97338356 0.77779705
0.55856786 0.52987218 0.46615112
0.86380880 0.72451480 0.46424590
0.15132955 0.74499156 0.99621050
0.71490808 0.60743097 0.44290155
No title
1
13.345179 0.183290 -1.379135
0.260232 10.398917 0.216479
-1.407868 0.451559 13.133240
C H O N
43 30 7 2
Direct configuration= 457
0.74386343 0.51943117 0.37385213
0.75416730 0.38706874 0.40087289
0.79975511 0.30481193 0.34181701
0.77307963 0.56851079 0.28436920
0.81843885 0.48643085 0.22531234
0.83508928 0.35590306 0.25672018
-0.00770109 0.28472240 0.21818933
0.04450604 0.19298057 0.17283464
0.15019452 0.19510506 0.18490676
0.04636247 0.37877262 0.27542216
0.15183754 0.38010695 0.28534503
0.20663528 0.28873348 0.24128365
0.32287343 0.29413537 0.25392814
0.34651625 0.39773020 0.17581408
0.42004372 0.48886482 0.20380363
0.44345686 0.57885060 0.13078813
0.29603548 0.40065791 0.07128753
0.31867828 0.48874249 -0.00280173
0.39316187 0.57802768 0.02712193
0.49885799 0.73258248 -0.03132775
0.49126038 0.86662327 -0.02884509
0.58029739 0.93534888 -0.01371893
0.59364710 0.66679600 -0.02051475
0.68187656 0.73656025 -0.00512359
0.67558356 0.87058108 -0.00098660
0.37105966 0.32182780 0.36644150
0.37119747 0.16414792 0.23190375
0.15184758 0.88018286 0.99471464
0.05741121 0.69968115 -0.05183118
0.99033488 0.81831739 0.91322015
0.89036987 0.82842693 0.85868252
0.84648360 0.95346458 0.83222707
0.71182139 0.88552717 0.70463228
0.61652139 0.83403972 0.70335496
0.57987617 0.74194143 0.63288879
0.64061605 0.70412419 0.56515790
0.62763268 0.60356654 0.48805496
0.78233916 0.70142320 0.48677422
0.73367188 0.76055863 0.56531314
0.77134241 0.85180492 0.63363949
0.90057168 0.06279079 0.86272131
0.00195845 0.04992726 0.91737289
0.04639321 0.92626586 0.94177169
0.81212821 0.20201989 0.36328945
0.72989269 0.34897881 0.46984462
0.76334315 0.67131051 0.26287097
0.84514231 0.52364873 0.15753899
0.18838583 0.12111389 0.14931877
0.00160681 0.11936762 0.12949260
0.00775581 0.45058620 0.31257522
0.19179857 0.45510580 0.32981172
0.50084348 0.64872183 0.15506524
0.46108336 0.49151931 0.28389548
0.23710553 0.33259372 0.04644767
0.27930257 0.48915691 0.91616711
0.57498637 0.03983001 -0.01112881
0.41618249 0.91484879 -0.03689611
0.59735474 0.56223877 0.97629191
0.75599547 0.68587226 0.00326090
0.45462348 0.31460589 0.38007471
0.34677974 0.25110727 0.41991001
0.34972467 0.41844497 0.38684897
0.45452393 0.17018132 0.24644626
0.34547338 0.13823122 0.15161402
0.35335195 0.08579813 0.28339941
0.84877848 0.74289982 0.83643512
0.57337156 0.86400641 0.76017738
0.50701513 0.69904218 0.63327158
0.84493842 0.89282738 0.63401706
0.86252602 0.15767911 0.84179965
0.04458871 0.13499687 0.93907428
0.21434443 0.68564900 0.02417762
0.74479114 0.92448188 0.01158135
0.88714971 0.27368205 0.20405528
0.40947067 0.66606857 0.95027352
0.22548488 0.94273295 0.02955462
0.03686999 0.58699919 -0.06282216
0.74678209 0.97343409 0.77773683
0.55853436 0.52987166 0.46611345
0.86379542 0.72457996 0.46419709
0.15136157 0.74509402 0.99624807
0.71489323 0.60749812 0.44283683
No title
1
13.340675 0.181882 -1.379365
0.259104 10.400076 0.217217
-1.407813 0.452721 13.131975
C H O N
43 30 7 2
Direct configuration= 458
0.74385151 0.51950469 0.37374762
0.75412438 0.38714933 0.40089053
0.79965708 0.30484169 0.34189079
0.77304539 0.56851911 0.28422664
0.81837406 0.48636653 0.22525447
0.83505943 0.35582802 0.25674979
-0.00779064 0.28456792 0.21821367
0.04439015 0.19273719 0.17291068
0.15016810 0.19487784 0.18500543
0.04629886 0.37865863 0.27535646
0.15186832 0.37993732 0.28530384
0.20663479 0.28849213 0.24131170
0.32292269 0.29394672 0.25390841
0.34657471 0.39755094 0.17584369
0.42007853 0.48873139 0.20378628
0.44345542 0.57874668 0.13080534
0.29606033 0.40051109 0.07127267
0.31866732 0.48866637 -0.00275773
0.39318219 0.57797066 0.02712618
0.49881623 0.73263261 -0.03127888
0.49120396 0.86668581 -0.02882140
0.58028921 0.93548859 -0.01357010
0.59368553 0.66693461 -0.02046821
0.68193699 0.73674018 -0.00504512
0.67561452 0.87075656 -0.00085000
0.37114831 0.32160968 0.36645600
0.37126482 0.16402264 0.23182883
0.15192989 0.88040668 0.99483858
0.05743565 0.69982234 -0.05181458
0.99042146 0.81853920 0.91312615
0.89044044 0.82855364 0.85855871
0.84646135 0.95353962 0.83215920
0.71180343 0.88559405 0.70455739
0.61648152 0.83405504 0.70325355
0.57982746 0.74191343 0.63277158
0.64058741 0.70423757 0.56503616
0.62755714 0.60370140 0.48798892
0.78232593 0.70152495 0.48660427
0.73369201 0.76061704 0.56520869
0.77134667 0.85188579 0.63355037
0.90057590 0.06284860 0.86277824
0.00201698 0.05005598 0.91747839
0.04648472 0.92637291 0.94183990
0.81203706 0.20204459 0.36347252
0.72981885 0.34915415 0.46991883
0.76334696 0.67125297 0.26274926
0.84510786 0.52347240 0.15749926
0.18833395 0.12087891 0.14945485
0.00146877 0.11914019 0.12964815
0.00776271 0.45048183 0.31253421
0.19186415 0.45494418 0.32971420
0.50088882 0.64862866 0.15509536
0.46109975 0.49140563 0.28393513
0.23708363 0.33240455 0.04640169
0.27930255 0.48904818 0.91616338
0.57492515 0.03997224 -0.01103126
0.41607669 0.91488676 -0.03685432
0.59741436 0.56242939 0.97630810
0.75607415 0.68615606 0.00334632
0.45474261 0.31441982 0.38003101
0.34690441 0.25082999 0.41994556
0.34980108 0.41816589 0.38695580
0.45461727 0.17017421 0.24628545
0.34546173 0.13813210 0.15155747
0.35350527 0.08558434 0.28333988
0.84880556 0.74308915 0.83621018
0.57329062 0.86398439 0.76008532
0.50693061 0.69897475 0.63319707
0.84489462 0.89293609 0.63388015
0.86251507 0.15783009 0.84187529
0.04459614 0.13520036 0.93921202
0.21440545 0.68575290 0.02432696
0.74478633 0.92471544 0.01181493
0.88700049 0.27348104 0.20414404
0.40940398 0.66608938 0.95032114
0.22556725 0.94288273 0.02968184
0.03696545 0.58718819 -0.06278030
0.74675169 0.97353516 0.77761636
0.55846734 0.52987062 0.46603810
0.86376864 0.72471027 0.46409947
0.15142564 0.74529891 0.99632322
0.71486354 0.60763241 0.44270740
No title
1
13.336860 0.180541 -1.379634
0.258040 10.400977 0.217918
-1.407796 0.453800 13.131395
C H O N
43 30 7 2
Direct configuration= 459
0.74383376 0.51958001 0.37370005
0.75406900 0.38719465 0.40093830
0.79958348 0.30489072 0.34195065
0.77300778 0.56851628 0.28410655
0.81834021 0.48628293 0.22521477
0.83499678 0.35575714 0.25678723
-0.00784892 0.28443269 0.21824065
0.04429343 0.19259312 0.17300197
0.15011953 0.19470292 0.18509179
0.04625736 0.37851778 0.27528285
0.15190784 0.37978415 0.28526959
0.20660115 0.28828617 0.24132612
0.32296200 0.29376111 0.25387838
0.34660549 0.39741748 0.17587020
0.42012050 0.48863849 0.20374670
0.44346041 0.57865336 0.13085546
0.29605781 0.40034202 0.07123175
0.31865462 0.48861310 -0.00276889
0.39321249 0.57790894 0.02715751
0.49883206 0.73274616 -0.03124134
0.49114822 0.86671084 -0.02879158
0.58026116 0.93552725 -0.01345806
0.59368885 0.66706554 -0.02044020
0.68195268 0.73692651 -0.00497631
0.67561533 0.87090217 -0.00073377
0.37121588 0.32143853 0.36649416
0.37135223 0.16391649 0.23179686
0.15196197 0.88051089 0.99490586
0.05750349 0.70002034 -0.05178615
0.99050882 0.81866434 0.91306209
0.89050285 0.82867167 0.85844406
0.84644808 0.95363528 0.83211133
0.71178290 0.88563255 0.70449687
0.61643450 0.83407104 0.70318547
0.57978669 0.74192022 0.63269845
0.64056459 0.70433298 0.56494740
0.62750803 0.60376856 0.48786415
0.78225417 0.70159263 0.48648669
0.73368066 0.76065542 0.56510540
0.77132700 0.85194009 0.63346004
0.90057164 0.06293028 0.86280511
0.00203306 0.05018189 0.91755814
0.04656873 0.92649591 0.94187346
0.81195331 0.20208679 0.36362003
0.72976233 0.34932823 0.46995724
0.76333839 0.67124798 0.26264424
0.84507189 0.52333910 0.15745081
0.18831657 0.12064675 0.14955204
0.00134973 0.11891973 0.12976656
0.00775346 0.45040377 0.31250486
0.19191555 0.45481425 0.32962412
0.50091115 0.64855028 0.15511405
0.46111319 0.49131884 0.28397396
0.23709264 0.33228994 0.04638643
0.27931011 0.48896186 0.91618496
0.57487301 0.04011131 -0.01094220
0.41601455 0.91490394 -0.03681023
0.59746884 0.56258479 0.97633526
0.75615971 0.68636342 0.00342481
0.45485346 0.31426527 0.38000509
0.34700926 0.25059047 0.41997526
0.34986605 0.41791176 0.38704259
0.45468652 0.17016652 0.24614113
0.34543959 0.13805306 0.15148693
0.35362676 0.08540757 0.28329365
0.84881477 0.74323537 0.83602972
0.57322809 0.86396333 0.76001117
0.50687400 0.69892460 0.63313066
0.84488815 0.89304874 0.63375895
0.86252177 0.15791344 0.84192572
0.04460273 0.13534690 0.93933265
0.21443897 0.68585046 0.02445545
0.74479009 0.92491198 0.01200998
0.88691087 0.27331312 0.20420792
0.40934288 0.66612360 0.95033771
0.22566352 0.94303738 0.02980533
0.03703717 0.58729907 -0.06274220
0.74672217 0.97362974 0.77751469
0.55843389 0.52989852 0.46599774
0.86382997 0.72484155 0.46399596
0.15148497 0.74545399 0.99639211
0.71483798 0.60773402 0.44261212
No title
1
13.332648 0.179061 -1.379931
0.256866 10.401971 0.218692
-1.407776 0.454992 13.130755
C H O N
43 30 7 2
Direct configuration= 460
0.74381416 0.51966316 0.37364752
0.75400785 0.38724467 0.40099105
0.79950221 0.30494482 0.34201674
0.77296624 0.56851317 0.28397395
0.81830281 0.48619063 0.22517094
0.83492757 0.35567887 0.25682857
-0.00791331 0.28428338 0.21827045
0.04418660 0.19243403 0.17310276
0.15006587 0.19450980 0.18518716
0.04621151 0.37836229 0.27520158
0.15195146 0.37961505 0.28523178
0.20656398 0.28805879 0.24134204
0.32300539 0.29355619 0.25384524
0.34663947 0.39727014 0.17589948
0.42016686 0.48853594 0.20370299
0.44346591 0.57855033 0.13091080
0.29605501 0.40015536 0.07118658
0.31864058 0.48855429 -0.00278120
0.39324595 0.57784079 0.02719210
0.49884955 0.73287152 -0.03119989
0.49108667 0.86673846 -0.02875866
0.58023018 0.93556992 -0.01333435
0.59369252 0.66721008 -0.02040928
0.68197002 0.73713221 -0.00490035
0.67561624 0.87106291 -0.00060544
0.37129050 0.32124958 0.36653631
0.37144876 0.16379932 0.23176158
0.15199741 0.88062593 0.99498015
0.05757843 0.70023894 -0.05175477
0.99060531 0.81880251 0.91299137
0.89057179 0.82880200 0.85831746
0.84643344 0.95374090 0.83205847
0.71176023 0.88567506 0.70443004
0.61638256 0.83408872 0.70311030
0.57974167 0.74192772 0.63261770
0.64053939 0.70443831 0.56484939
0.62745379 0.60384272 0.48772638
0.78217493 0.70166737 0.48635686
0.73366813 0.76069780 0.56499135
0.77130527 0.85200003 0.63336029
0.90056693 0.06302046 0.86283478
0.00205083 0.05032089 0.91764619
0.04666153 0.92663170 0.94191052
0.81186082 0.20213336 0.36378291
0.72969992 0.34952041 0.46999964
0.76332891 0.67124248 0.26252829
0.84503214 0.52319194 0.15739731
0.18829736 0.12039042 0.14965937
0.00121823 0.11867632 0.12989731
0.00774323 0.45031759 0.31247247
0.19197231 0.45467082 0.32952467
0.50093580 0.64846374 0.15513470
0.46112802 0.49122303 0.28401685
0.23710258 0.33216342 0.04636958
0.27931846 0.48886656 0.91620879
0.57481543 0.04026484 -0.01084387
0.41594592 0.91492289 -0.03676156
0.59752903 0.56275636 0.97636526
0.75625423 0.68659236 0.00351148
0.45497586 0.31409466 0.37997649
0.34712505 0.25032605 0.42000808
0.34993778 0.41763121 0.38713844
0.45476300 0.17015806 0.24598179
0.34541513 0.13796581 0.15140905
0.35376091 0.08521244 0.28324263
0.84882496 0.74339681 0.83583045
0.57315902 0.86394008 0.75992930
0.50681147 0.69886924 0.63305733
0.84488101 0.89317313 0.63362513
0.86252917 0.15800547 0.84198140
0.04461002 0.13550867 0.93946585
0.21447601 0.68595817 0.02459733
0.74479426 0.92512894 0.01222534
0.88681187 0.27312773 0.20427846
0.40927541 0.66616136 0.95035601
0.22576985 0.94320811 0.02994168
0.03711638 0.58742149 -0.06270013
0.74668958 0.97373416 0.77740241
0.55839695 0.52992933 0.46595317
0.86389772 0.72498650 0.46388168
0.15155051 0.74562520 0.99646818
0.71480977 0.60784621 0.44250692
No title
1
13.328510 0.177542 -1.380261
0.255661 10.402638 0.219408
-1.407767 0.456096 13.130411
C H O N
43 30 7 2
Direct configuration= 461
0.74379457 0.51971251 0.37362029
0.75394324 0.38734459 0.40102740
0.79944105 0.30496813 0.34208956
0.77292028 0.56848928 0.28388497
0.81828156 0.48607840 0.22513896
0.83484022 0.35561215 0.25685837
-0.00798711 0.28414015 0.21829566
0.04411002 0.19228452 0.17318773
0.14998890 0.19429302 0.18524720
0.04621481 0.37825017 0.27515989
0.15195032 0.37946419 0.28519611
0.20655701 0.28787016 0.24135878
0.32303868 0.29337000 0.25384154
0.34663554 0.39714858 0.17587191
0.42021515 0.48841018 0.20372930
0.44349626 0.57850324 0.13094100
0.29607902 0.40000776 0.07116984
0.31864213 0.48848879 -0.00279380
0.39326180 0.57777231 0.02722125
0.49884919 0.73297613 -0.03117647
0.49103634 0.86678599 -0.02871405
0.58017171 0.93563397 -0.01324068
0.59369962 0.66735731 -0.02038610
0.68198605 0.73730420 -0.00482745
0.67560937 0.87120922 -0.00048535
0.37136361 0.32105477 0.36657164
0.37152734 0.16368065 0.23172563
0.15208461 0.88073343 0.99505603
0.05766303 0.70037233 -0.05173518
0.99068157 0.81889234 0.91293648
0.89062315 0.82892399 0.85819551
0.84643609 0.95385712 0.83201785
0.71173700 0.88569740 0.70435624
0.61632684 0.83409751 0.70305303
0.57969908 0.74196102 0.63256717
0.64049046 0.70449603 0.56475794
0.62742104 0.60390328 0.48758688
0.78219622 0.70176719 0.48623890
0.73364333 0.76076043 0.56489010
0.77127503 0.85204806 0.63326098
0.90056175 0.06313176 0.86284988
0.00205122 0.05044012 0.91771641
0.04672002 0.92679729 0.94191189
0.81177132 0.20220668 0.36391709
0.72964132 0.34969474 0.47004202
0.76331271 0.67126815 0.26241708
0.84499533 0.52307276 0.15732973
0.18828373 0.12016021 0.14975335
0.00110788 0.11845811 0.13001607
0.00773293 0.45022374 0.31243181
0.19202251 0.45455166 0.32943287
0.50094588 0.64838682 0.15515248
0.46113070 0.49114406 0.28403102
0.23711065 0.33205702 0.04636083
0.27932097 0.48879144 0.91622518
0.57476538 0.04035555 -0.01074999
0.41590057 0.91492691 -0.03671313
0.59758243 0.56290035 0.97640071
0.75633133 0.68678689 0.00359115
0.45508069 0.31394682 0.37996031
0.34722850 0.25008616 0.42003577
0.34999764 0.41738584 0.38722150
0.45483970 0.17014698 0.24583797
0.34539304 0.13789583 0.15134170
0.35387912 0.08504800 0.28319944
0.84883355 0.74353562 0.83566395
0.57309939 0.86391885 0.75986115
0.50677193 0.69882913 0.63298801
0.84489143 0.89329552 0.63350252
0.86254496 0.15805491 0.84202105
0.04461267 0.13562783 0.93958736
0.21449343 0.68607159 0.02472393
0.74480253 0.92531976 0.01241418
0.88674127 0.27298242 0.20434210
0.40924090 0.66621491 0.95037326
0.22582896 0.94333213 0.03004971
0.03719385 0.58758947 -0.06265197
0.74666627 0.97382604 0.77730587
0.55836719 0.52996399 0.46592020
0.86390545 0.72509723 0.46379037
0.15162130 0.74575160 0.99654738
0.71477980 0.60792670 0.44240983
No title
1
13.318621 0.173910 -1.381051
0.252779 10.404232 0.221121
-1.407745 0.458734 13.129589
C H O N
43 30 7 2
Direct configuration= 462
0.74374775 0.51983046 0.37355520
0.75378879 0.38758340 0.40111428
0.79929484 0.30502380 0.34226362
0.77281041 0.56843221 0.28367227
0.81823072 0.48581017 0.22506254
0.83463136 0.35545265 0.25692961
-0.00816358 0.28379780 0.21835593
0.04392690 0.19192713 0.17339082
0.14980482 0.19377487 0.18539073
0.04622266 0.37798222 0.27506027
0.15194757 0.37910365 0.28511086
0.20654030 0.28741932 0.24139883
0.32311822 0.29292501 0.25383273
0.34662610 0.39685805 0.17580601
0.42033059 0.48810963 0.20379221
0.44356880 0.57839071 0.13101320
0.29613638 0.39965499 0.07112984
0.31864581 0.48833225 -0.00282391
0.39329971 0.57760863 0.02729094
0.49884834 0.73322612 -0.03112051
0.49091601 0.86689958 -0.02860741
0.58003193 0.93578703 -0.01301680
0.59371664 0.66770919 -0.02033071
0.68202441 0.73771527 -0.00465322
0.67559299 0.87155887 -0.00019831
0.37153836 0.32058918 0.36665613
0.37171518 0.16339707 0.23163973
0.15229311 0.88099038 0.99523742
0.05786533 0.70069115 -0.05168839
0.99086392 0.81910709 0.91280529
0.89074597 0.82921561 0.85790402
0.84644247 0.95413489 0.83192074
0.71168146 0.88575079 0.70417984
0.61619362 0.83411852 0.70291613
0.57959725 0.74204061 0.63244637
0.64037348 0.70463397 0.56453933
0.62734275 0.60404805 0.48725342
0.78224714 0.70200581 0.48595693
0.73358405 0.76091014 0.56464808
0.77120274 0.85216285 0.63302360
0.90054937 0.06339777 0.86288595
0.00205217 0.05072506 0.91788424
0.04685988 0.92719308 0.94191516
0.81155735 0.20238187 0.36423780
0.72950124 0.35011138 0.47014330
0.76327397 0.67132953 0.26215126
0.84490728 0.52278793 0.15716818
0.18825109 0.11960997 0.14997802
0.00084400 0.11793653 0.13029995
0.00770828 0.44999944 0.31233462
0.19214251 0.45426691 0.32921346
0.50096995 0.64820298 0.15519499
0.46113709 0.49095531 0.28406492
0.23712993 0.33180275 0.04633990
0.27932695 0.48861190 0.91626436
0.57464572 0.04057230 -0.01052562
0.41579216 0.91493648 -0.03659737
0.59771014 0.56324449 0.97648542
0.75651572 0.68725185 0.00378157
0.45533131 0.31359350 0.37992168
0.34747579 0.24951284 0.42010200
0.35014072 0.41679942 0.38742006
0.45502306 0.17012057 0.24549421
0.34534019 0.13772858 0.15118074
0.35416170 0.08465502 0.28309624
0.84885413 0.74386740 0.83526597
0.57295681 0.86386810 0.75969824
0.50667738 0.69873327 0.63282232
0.84491636 0.89358809 0.63320945
0.86258271 0.15817307 0.84211581
0.04461905 0.13591259 0.93987777
0.21453513 0.68634263 0.02502652
0.74482233 0.92577577 0.01286553
0.88657245 0.27263511 0.20449422
0.40915838 0.66634287 0.95041449
0.22597031 0.94362852 0.03030792
0.03737912 0.58799098 -0.06253688
0.74661054 0.97404564 0.77707508
0.55829605 0.53004681 0.46584138
0.86392396 0.72536190 0.46357213
0.15179058 0.74605371 0.99673667
0.71470815 0.60811908 0.44217776
No title
1
13.313792 0.172160 -1.381296
0.251399 10.405154 0.222025
-1.407595 0.460107 13.129197
C H O N
43 30 7 2
Direct configuration= 463
0.74371634 0.51988501 0.37350511
0.75372174 0.38772867 0.40112112
0.79920269 0.30506745 0.34238628
0.77275967 0.56839775 0.28358902
0.81818829 0.48571218 0.22502108
0.83452606 0.35533598 0.25694811
-0.00825098 0.28363877 0.21840663
0.04380624 0.19164881 0.17345164
0.14975982 0.19346605 0.18545238
0.04620548 0.37788131 0.27505202
0.15195344 0.37892756 0.28507010
0.20655493 0.28716586 0.24141071
0.32315035 0.29271182 0.25386516
0.34662731 0.39670437 0.17576588
0.42036773 0.48793737 0.20384029
0.44359967 0.57830396 0.13103247
0.29619966 0.39953684 0.07111461
0.31867677 0.48820577 -0.00279700
0.39330414 0.57755800 0.02729159
0.49878323 0.73329225 -0.03110972
0.49086175 0.86699627 -0.02853308
0.57996160 0.93596830 -0.01291236
0.59374693 0.66788568 -0.02030059
0.68209271 0.73790756 -0.00454787
0.67558556 0.87175709 -0.00003663
0.37164527 0.32030241 0.36667081
0.37176988 0.16323291 0.23155216
0.15239862 0.88114736 0.99531551
0.05797749 0.70085111 -0.05167952
0.99093794 0.81927053 0.91273287
0.89080369 0.82936060 0.85775558
0.84646243 0.95428972 0.83186097
0.71165208 0.88578518 0.70407297
0.61613824 0.83412779 0.70285221
0.57953718 0.74207102 0.63236720
0.64028897 0.70466686 0.56440713
0.62732592 0.60417670 0.48713257
0.78226916 0.70216259 0.48585197
0.73354066 0.76101345 0.56451028
0.77120014 0.85226112 0.63290594
0.90055316 0.06351807 0.86290414
0.00205422 0.05088460 0.91796331
0.04690735 0.92734759 0.94189264
0.81143999 0.20247814 0.36440317
0.72941659 0.35032274 0.47022352
0.76325060 0.67133583 0.26200557
0.84485870 0.52263456 0.15707050
0.18821245 0.11933491 0.15010544
0.00072234 0.11768729 0.13046957
0.00770755 0.44984488 0.31225850
0.19220144 0.45411751 0.32909094
0.50100338 0.64814779 0.15523213
0.46114394 0.49085407 0.28408402
0.23711996 0.33164535 0.04632443
0.27931127 0.48853131 0.91624903
0.57458051 0.04060596 -0.01039828
0.41572192 0.91494038 -0.03653441
0.59777139 0.56343039 0.97653665
0.75657776 0.68750963 0.00388311
0.45545290 0.31341022 0.37991350
0.34760667 0.24919491 0.42013800
0.35021107 0.41649836 0.38751984
0.45514356 0.17009770 0.24531577
0.34532280 0.13765037 0.15112167
0.35431631 0.08445364 0.28304686
0.84887269 0.74404704 0.83506806
0.57287526 0.86384536 0.75962708
0.50663455 0.69869321 0.63273313
0.84491388 0.89373558 0.63305211
0.86258806 0.15825752 0.84214490
0.04461580 0.13603762 0.94003570
0.21457861 0.68648139 0.02520344
0.74483042 0.92601066 0.01309911
0.88645837 0.27248885 0.20458630
0.40914564 0.66641036 0.95046133
0.22606597 0.94378676 0.03045895
0.03746987 0.58818474 -0.06247390
0.74659333 0.97413766 0.77694890
0.55822232 0.53005126 0.46577685
0.86396260 0.72550343 0.46343726
0.15187919 0.74622007 0.99684336
0.71468315 0.60821433 0.44203926
No title
1
13.305740 0.169242 -1.381704
0.249096 10.406691 0.223533
-1.407345 0.462397 13.128543
C H O N
43 30 7 2
Direct configuration= 464
0.74366397 0.51997598 0.37342158
0.75360991 0.38797089 0.40113251
0.79904895 0.30514019 0.34259083
0.77267502 0.56834029 0.28345018
0.81811750 0.48554879 0.22495195
0.83435038 0.35514140 0.25697898
-0.00839682 0.28337355 0.21849120
0.04360490 0.19118466 0.17355309
0.14968469 0.19295108 0.18555521
0.04617681 0.37771305 0.27503828
0.15196320 0.37863394 0.28500214
0.20657929 0.28674321 0.24143055
0.32320390 0.29235632 0.25391926
0.34662930 0.39644812 0.17569897
0.42042965 0.48765012 0.20392050
0.44365116 0.57815930 0.13106462
0.29630521 0.39933983 0.07108923
0.31872841 0.48799488 -0.00275210
0.39331153 0.57747356 0.02729269
0.49867463 0.73340249 -0.03109174
0.49077124 0.86715747 -0.02840913
0.57984430 0.93627054 -0.01273822
0.59379751 0.66817997 -0.02025038
0.68220667 0.73822821 -0.00437218
0.67557320 0.87208759 0.00023300
0.37182356 0.31982425 0.36669531
0.37186111 0.16295920 0.23140615
0.15257466 0.88140912 0.99544573
0.05816463 0.70111788 -0.05166474
0.99106145 0.81954311 0.91261210
0.89090002 0.82960242 0.85750802
0.84649575 0.95454791 0.83176129
0.71160306 0.88584255 0.70389474
0.61604585 0.83414323 0.70274559
0.57943697 0.74212174 0.63223517
0.64014800 0.70472172 0.56418665
0.62729786 0.60439125 0.48693101
0.78230591 0.70242406 0.48567691
0.73346830 0.76118573 0.56428046
0.77119581 0.85242501 0.63270971
0.90055951 0.06371867 0.86293446
0.00205766 0.05115063 0.91809516
0.04698656 0.92760527 0.94185507
0.81124420 0.20263860 0.36467894
0.72927541 0.35067514 0.47035728
0.76321162 0.67134637 0.26176261
0.84477765 0.52237883 0.15690762
0.18814793 0.11887620 0.15031796
0.00051933 0.11727162 0.13075247
0.00770631 0.44958717 0.31213156
0.19229974 0.45386842 0.32888663
0.50105915 0.64805576 0.15529407
0.46115534 0.49068524 0.28411589
0.23710330 0.33138287 0.04629864
0.27928510 0.48839694 0.91622347
0.57447171 0.04066203 -0.01018592
0.41560474 0.91494684 -0.03642942
0.59787360 0.56374038 0.97662208
0.75668129 0.68793949 0.00405242
0.45565572 0.31310464 0.37989988
0.34782496 0.24866477 0.42019809
0.35032838 0.41599635 0.38768628
0.45534460 0.17005964 0.24501820
0.34529379 0.13751995 0.15102317
0.35457420 0.08411790 0.28296453
0.84890367 0.74434665 0.83473799
0.57273922 0.86380744 0.75950839
0.50656309 0.69862642 0.63258439
0.84490977 0.89398157 0.63278970
0.86259702 0.15839835 0.84219342
0.04461039 0.13624609 0.94029906
0.21465117 0.68671276 0.02549847
0.74484395 0.92640230 0.01348862
0.88626803 0.27224492 0.20473985
0.40912439 0.66652287 0.95053945
0.22622559 0.94405061 0.03071081
0.03762130 0.58850784 -0.06236886
0.74656464 0.97429113 0.77673844
0.55809931 0.53005866 0.46566922
0.86402707 0.72573948 0.46321233
0.15202704 0.74649748 0.99702127
0.71464144 0.60837319 0.44180825
No title
1
13.300074 0.167422 -1.381604
0.247670 10.407853 0.224659
-1.406793 0.464062 13.127944
C H O N
43 30 7 2
Direct configuration= 465
0.74361035 0.52009134 0.37331490
0.75352585 0.38808899 0.40118507
0.79892933 0.30522607 0.34271619
0.77264698 0.56834945 0.28334498
0.81803630 0.48546796 0.22489629
0.83421420 0.35503514 0.25700775
-0.00844396 0.28316604 0.21856320
0.04348401 0.19085397 0.17364684
0.14965695 0.19259910 0.18564367
0.04612935 0.37752387 0.27502499
0.15200400 0.37841389 0.28494668
0.20657410 0.28641423 0.24143630
0.32324340 0.29211309 0.25394682
0.34669464 0.39623998 0.17575353
0.42042905 0.48748483 0.20389937
0.44366698 0.57797960 0.13109067
0.29632750 0.39916221 0.07106404
0.31879450 0.48785443 -0.00277548
0.39332141 0.57745516 0.02728978
0.49861162 0.73349002 -0.03107466
0.49072006 0.86725582 -0.02830497
0.57981191 0.93644600 -0.01261980
0.59384058 0.66838139 -0.02020886
0.68228017 0.73851333 -0.00423699
0.67556851 0.87234068 0.00043768
0.37194170 0.31948052 0.36669796
0.37192875 0.16278217 0.23129409
0.15264652 0.88163499 0.99550332
0.05827644 0.70137907 -0.05167941
0.99112337 0.81977099 0.91250384
0.89095606 0.82979841 0.85734955
0.84652133 0.95467933 0.83164975
0.71159115 0.88593109 0.70376488
0.61600379 0.83414030 0.70265826
0.57936621 0.74211946 0.63209769
0.64006773 0.70478852 0.56403211
0.62716847 0.60443305 0.48681288
0.78230078 0.70261742 0.48557029
0.73340852 0.76136269 0.56411750
0.77120194 0.85256619 0.63255817
0.90057652 0.06385824 0.86295863
0.00208657 0.05130068 0.91817894
0.04705026 0.92774897 0.94182541
0.81109446 0.20272676 0.36489445
0.72916970 0.35094724 0.47045411
0.76318389 0.67125920 0.26158567
0.84470976 0.52217475 0.15678854
0.18808740 0.11851135 0.15046741
0.00035048 0.11693441 0.13095010
0.00769351 0.44941597 0.31203770
0.19237223 0.45368879 0.32873134
0.50112513 0.64803881 0.15535903
0.46118555 0.49054830 0.28417817
0.23710346 0.33119890 0.04628398
0.27925889 0.48831068 0.91619783
0.57437871 0.04073238 -0.01001294
0.41546830 0.91497274 -0.03635186
0.59794130 0.56397296 0.97669004
0.75675045 0.68825510 0.00418635
0.45580587 0.31287597 0.37990521
0.34799124 0.24824956 0.42023714
0.35041956 0.41558958 0.38778860
0.45547664 0.17000866 0.24479550
0.34527328 0.13742166 0.15095045
0.35477443 0.08387160 0.28290836
0.84894063 0.74457060 0.83450946
0.57263419 0.86378332 0.75943991
0.50649370 0.69858441 0.63247722
0.84489332 0.89415781 0.63259518
0.86257145 0.15855801 0.84219899
0.04460569 0.13638851 0.94050550
0.21475649 0.68687209 0.02574942
0.74485082 0.92668691 0.01377020
0.88608958 0.27209383 0.20485906
0.40908378 0.66655514 0.95061120
0.22639333 0.94426367 0.03092428
0.03771452 0.58865236 -0.06229952
0.74656514 0.97435969 0.77657405
0.55807135 0.53013630 0.46558438
0.86411638 0.72592669 0.46302876
0.15213087 0.74673379 0.99715214
0.71462692 0.60855491 0.44166980
No title
1
13.293843 0.165420 -1.381494
0.246102 10.409131 0.225897
-1.406187 0.465893 13.127286
C H O N
43 30 7 2
Direct configuration= 466
0.74355138 0.52021821 0.37319757
0.75343338 0.38821883 0.40124287
0.79879775 0.30532046 0.34285405
0.77261613 0.56835954 0.28322929
0.81794696 0.48537907 0.22483509
0.83406437 0.35491826 0.25703939
-0.00849585 0.28293784 0.21864240
0.04335096 0.19049031 0.17374997
0.14962638 0.19221204 0.18574097
0.04607712 0.37731585 0.27501039
0.15204886 0.37817194 0.28488571
0.20656834 0.28605247 0.24144264
0.32328683 0.29184562 0.25397715
0.34676649 0.39601111 0.17581355
0.42042838 0.48730309 0.20387615
0.44368436 0.57778200 0.13111933
0.29635202 0.39896690 0.07103635
0.31886720 0.48770002 -0.00280118
0.39333228 0.57743494 0.02728657
0.49854232 0.73358626 -0.03105588
0.49066376 0.86736395 -0.02819042
0.57977629 0.93663890 -0.01248959
0.59388798 0.66860287 -0.02016321
0.68236107 0.73882683 -0.00408834
0.67556338 0.87261893 0.00066276
0.37207163 0.31910258 0.36670091
0.37200316 0.16258756 0.23117086
0.15272561 0.88188336 0.99556663
0.05839947 0.70166631 -0.05169556
0.99119152 0.82002159 0.91238476
0.89101775 0.83001396 0.85717526
0.84654949 0.95482385 0.83152708
0.71157807 0.88602847 0.70362206
0.61595752 0.83413708 0.70256221
0.57928838 0.74211696 0.63194649
0.63997943 0.70486199 0.56386214
0.62702613 0.60447902 0.48668296
0.78229516 0.70283005 0.48545302
0.73334279 0.76155729 0.56393827
0.77120870 0.85272145 0.63239150
0.90059525 0.06401171 0.86298520
0.00211839 0.05146566 0.91827107
0.04712037 0.92790700 0.94179279
0.81092972 0.20282363 0.36513146
0.72905342 0.35124640 0.47056059
0.76315338 0.67116338 0.26139108
0.84463504 0.52195036 0.15665760
0.18802076 0.11811013 0.15063179
0.00016467 0.11656355 0.13116747
0.00767942 0.44922774 0.31193449
0.19245196 0.45349131 0.32856057
0.50119771 0.64802018 0.15543047
0.46121877 0.49039771 0.28424667
0.23710362 0.33099660 0.04626788
0.27923005 0.48821583 0.91616965
0.57427640 0.04080968 -0.00982270
0.41531819 0.91500118 -0.03626657
0.59801581 0.56422870 0.97676477
0.75682656 0.68860213 0.00433362
0.45597104 0.31262455 0.37991110
0.34817413 0.24779302 0.42028012
0.35051982 0.41514230 0.38790117
0.45562191 0.16995266 0.24455058
0.34525071 0.13731359 0.15087048
0.35499470 0.08360082 0.28284661
0.84898132 0.74481690 0.83425812
0.57251865 0.86375679 0.75936459
0.50641736 0.69853824 0.63235936
0.84487524 0.89435164 0.63238123
0.86254335 0.15873357 0.84220510
0.04460054 0.13654508 0.94073253
0.21487238 0.68704726 0.02602539
0.74485840 0.92699982 0.01407984
0.88589322 0.27192763 0.20499017
0.40903909 0.66659060 0.95069010
0.22657790 0.94449793 0.03115903
0.03781709 0.58881127 -0.06222326
0.74656571 0.97443510 0.77639325
0.55804060 0.53022167 0.46549107
0.86421465 0.72613259 0.46282687
0.15224513 0.74699364 0.99729606
0.71461097 0.60875476 0.44151751
No title
1
13.288561 0.163952 -1.381245
0.244952 10.410015 0.226904
-1.405521 0.467356 13.126617
C H O N
43 30 7 2
Direct configuration= 467
0.74349776 0.52033250 0.37311329
0.75335005 0.38833088 0.40131289
0.79869841 0.30537316 0.34294030
0.77261411 0.56836939 0.28313167
0.81786834 0.48530083 0.22477681
0.83393768 0.35490231 0.25707338
-0.00854456 0.28272538 0.21869220
0.04329335 0.19024681 0.17386409
0.14957378 0.19193046 0.18582409
0.04607454 0.37710246 0.27499181
0.15206805 0.37796682 0.28482787
0.20655872 0.28578689 0.24145615
0.32333343 0.29162916 0.25397747
0.34681543 0.39581075 0.17586397
0.42044041 0.48718490 0.20388699
0.44372833 0.57767591 0.13113068
0.29636168 0.39879877 0.07103903
0.31892162 0.48758546 -0.00285582
0.39334225 0.57740181 0.02730557
0.49853742 0.73369491 -0.03102371
0.49060789 0.86742426 -0.02810590
0.57975793 0.93671866 -0.01238880
0.59392108 0.66879089 -0.02012293
0.68238447 0.73909685 -0.00397560
0.67558269 0.87283154 0.00083811
0.37215750 0.31881252 0.36671921
0.37208671 0.16246017 0.23110290
0.15282769 0.88212718 0.99563722
0.05845310 0.70181035 -0.05172624
0.99124577 0.82018344 0.91228602
0.89105016 0.83017806 0.85705182
0.84657052 0.95492263 0.83140843
0.71157284 0.88611631 0.70350535
0.61592802 0.83412496 0.70247883
0.57923991 0.74211692 0.63182886
0.63992916 0.70494992 0.56374128
0.62697364 0.60455880 0.48662002
0.78233007 0.70298988 0.48532483
0.73329877 0.76173009 0.56380306
0.77118800 0.85284134 0.63225076
0.90060064 0.06414194 0.86299406
0.00215832 0.05156018 0.91833121
0.04719080 0.92805653 0.94177478
0.81079700 0.20289129 0.36532205
0.72896226 0.35148473 0.47064408
0.76312932 0.67106497 0.26123357
0.84456921 0.52176353 0.15656215
0.18797023 0.11776425 0.15074889
0.00000120 0.11624523 0.13132434
0.00764964 0.44911199 0.31186398
0.19251899 0.45334245 0.32842706
0.50123161 0.64798630 0.15548487
0.46124102 0.49027169 0.28428707
0.23711081 0.33084316 0.04625527
0.27920941 0.48814877 0.91615085
0.57418813 0.04092827 -0.00966366
0.41518568 0.91503083 -0.03619684
0.59807286 0.56442079 0.97682412
0.75689746 0.68886896 0.00445793
0.45610219 0.31242245 0.37992068
0.34832307 0.24742761 0.42030251
0.35060094 0.41476513 0.38797319
0.45570546 0.16989181 0.24435434
0.34522615 0.13722087 0.15078903
0.35517356 0.08339466 0.28279601
0.84902402 0.74500778 0.83407217
0.57243950 0.86372874 0.75930211
0.50633898 0.69850248 0.63226964
0.84486998 0.89450761 0.63221320
0.86251076 0.15888258 0.84219947
0.04459874 0.13666124 0.94091789
0.21497278 0.68720477 0.02625028
0.74486599 0.92724548 0.01431899
0.88575354 0.27179557 0.20508660
0.40898195 0.66660385 0.95073849
0.22668216 0.94465050 0.03132266
0.03790608 0.58900043 -0.06216329
0.74658277 0.97448405 0.77625567
0.55795912 0.53023331 0.46538721
0.86423949 0.72628787 0.46268824
0.15233658 0.74719893 0.99740336
0.71459123 0.60894420 0.44142690
No title
1
13.276208 0.160519 -1.380664
0.242264 10.412083 0.229258
-1.403966 0.470778 13.125053
C H O N
43 30 7 2
Direct configuration= 468
0.74337234 0.52059983 0.37291614
0.75315505 0.38859288 0.40147665
0.79846597 0.30549635 0.34314204
0.77260942 0.56839247 0.28290333
0.81768436 0.48511784 0.22464051
0.83364122 0.35486495 0.25715289
-0.00865859 0.28222847 0.21880871
0.04315849 0.18967728 0.17413107
0.14945064 0.19127187 0.18601854
0.04606847 0.37660339 0.27494840
0.15211290 0.37748713 0.28469261
0.20653615 0.28516574 0.24148778
0.32344243 0.29112291 0.25397824
0.34692990 0.39534216 0.17598193
0.42046853 0.48690848 0.20391237
0.44383118 0.57742780 0.13115724
0.29638427 0.39840556 0.07104531
0.31904895 0.48731758 -0.00298360
0.39336557 0.57732432 0.02735001
0.49852597 0.73394899 -0.03094846
0.49047716 0.86756528 -0.02790822
0.57971498 0.93690516 -0.01215307
0.59399855 0.66923062 -0.02002875
0.68243926 0.73972831 -0.00371192
0.67562792 0.87332874 0.00124824
0.37235838 0.31813416 0.36676206
0.37228218 0.16216230 0.23094394
0.15306661 0.88269742 0.99580232
0.05857861 0.70214727 -0.05179802
0.99137274 0.82056202 0.91205503
0.89112606 0.83056188 0.85676304
0.84661976 0.95515369 0.83113088
0.71156065 0.88632179 0.70323233
0.61585898 0.83409662 0.70228380
0.57912650 0.74211684 0.63155372
0.63981155 0.70515559 0.56345856
0.62685086 0.60474540 0.48647278
0.78241181 0.70336374 0.48502497
0.73319584 0.76213425 0.56348675
0.77113962 0.85312177 0.63192154
0.90061326 0.06444651 0.86301477
0.00225176 0.05178121 0.91847187
0.04735563 0.92840627 0.94173263
0.81048642 0.20304942 0.36576785
0.72874899 0.35204205 0.47083933
0.76307302 0.67083486 0.26086514
0.84441516 0.52132660 0.15633893
0.18785193 0.11695527 0.15102284
-0.00038137 0.11550065 0.13169129
0.00757994 0.44884129 0.31169908
0.19267582 0.45299437 0.32811480
0.50131093 0.64790703 0.15561213
0.46129305 0.48997694 0.28438157
0.23712762 0.33048430 0.04622582
0.27916112 0.48799191 0.91610691
0.57398160 0.04120555 -0.00929166
0.41487562 0.91510012 -0.03603377
0.59820639 0.56487003 0.97696293
0.75706340 0.68949298 0.00474865
0.45640903 0.31194981 0.37994312
0.34867150 0.24657304 0.42035493
0.35079067 0.41388303 0.38814173
0.45590096 0.16974958 0.24389534
0.34516866 0.13700405 0.15059853
0.35559205 0.08291258 0.28267771
0.84912400 0.74545428 0.83363719
0.57225428 0.86366312 0.75915597
0.50615557 0.69841885 0.63205979
0.84485772 0.89487244 0.63182016
0.86243452 0.15923108 0.84218626
0.04459453 0.13693284 0.94135145
0.21520771 0.68757312 0.02677630
0.74488376 0.92781994 0.01487833
0.88542665 0.27148666 0.20531216
0.40884824 0.66663479 0.95085169
0.22692615 0.94500731 0.03170539
0.03811432 0.58944283 -0.06202304
0.74662271 0.97459858 0.77593384
0.55776848 0.53026054 0.46514426
0.86429766 0.72665108 0.46236396
0.15255059 0.74767902 0.99765432
0.71454508 0.60938728 0.44121492
No title
1
13.268692 0.158421 -1.380334
0.240617 10.413336 0.230653
-1.403064 0.472819 13.123894
C H O N
43 30 7 2
Direct configuration= 469
0.74330082 0.52073475 0.37287909
0.75304919 0.38882003 0.40152653
0.79831907 0.30553607 0.34326343
0.77261355 0.56833101 0.28279639
0.81758108 0.48501612 0.22452954
0.83349940 0.35487662 0.25720798
-0.00879703 0.28192715 0.21886590
0.04304630 0.18931298 0.17426942
0.14940127 0.19089768 0.18612974
0.04607908 0.37633108 0.27493989
0.15212753 0.37722263 0.28462658
0.20655831 0.28485289 0.24151843
0.32351972 0.29081464 0.25396698
0.34694153 0.39509809 0.17595061
0.42053548 0.48677604 0.20401157
0.44393983 0.57738986 0.13118570
0.29645235 0.39825309 0.07106532
0.31909135 0.48710259 -0.00297493
0.39337100 0.57720636 0.02738813
0.49852788 0.73409225 -0.03087898
0.49035236 0.86764811 -0.02782191
0.57963633 0.93704727 -0.01200989
0.59403944 0.66948308 -0.01996447
0.68247328 0.74002711 -0.00356184
0.67569152 0.87357806 0.00146506
0.37247119 0.31773748 0.36680604
0.37239224 0.16200305 0.23087303
0.15318688 0.88291722 0.99590781
0.05866577 0.70240324 -0.05180486
0.99147889 0.82070366 0.91193659
0.89117340 0.83073651 0.85662323
0.84666566 0.95535604 0.83096658
0.71151675 0.88641129 0.70306673
0.61581314 0.83408816 0.70217116
0.57905493 0.74215742 0.63145549
0.63977272 0.70530477 0.56331332
0.62682832 0.60486215 0.48639110
0.78239552 0.70356628 0.48484761
0.73317554 0.76233672 0.56328461
0.77109094 0.85330432 0.63172484
0.90058797 0.06460990 0.86298455
0.00228885 0.05193729 0.91851607
0.04747744 0.92861508 0.94172229
0.81031185 0.20314006 0.36601125
0.72862124 0.35234053 0.47097590
0.76303979 0.67077197 0.26063043
0.84431965 0.52107024 0.15622134
0.18777697 0.11648684 0.15117132
-0.00057466 0.11511471 0.13191413
0.00753880 0.44869096 0.31160140
0.19276109 0.45279197 0.32793249
0.50130269 0.64780880 0.15567089
0.46130809 0.48980608 0.28439150
0.23713064 0.33026965 0.04620306
0.27913451 0.48791638 0.91606563
0.57386211 0.04137587 -0.00907417
0.41472634 0.91512552 -0.03593195
0.59828396 0.56511635 0.97703831
0.75715192 0.68985546 0.00492371
0.45656992 0.31167641 0.37995453
0.34886845 0.24608378 0.42036615
0.35088631 0.41339240 0.38821893
0.45598900 0.16965070 0.24364042
0.34513334 0.13687586 0.15048349
0.35583472 0.08266421 0.28260437
0.84918574 0.74567693 0.83340883
0.57219306 0.86359688 0.75904022
0.50604012 0.69837855 0.63194643
0.84486733 0.89508156 0.63160007
0.86239645 0.15939667 0.84218030
0.04459338 0.13705655 0.94159823
0.21530979 0.68785809 0.02705866
0.74491803 0.92815484 0.01518815
0.88530385 0.27131187 0.20542270
0.40879566 0.66670142 0.95087448
0.22706627 0.94525282 0.03191486
0.03820863 0.58964569 -0.06197002
0.74664394 0.97468638 0.77576240
0.55765829 0.53028253 0.46500221
0.86434739 0.72687042 0.46219051
0.15266370 0.74791622 0.99776883
0.71449119 0.60960378 0.44109664
No title
1
13.258421 0.155553 -1.379882
0.238366 10.415048 0.232559
-1.401832 0.475609 13.122309
C H O N
43 30 7 2
Direct configuration= 470
0.74320304 0.52091914 0.37282843
0.75290444 0.38913042 0.40159467
0.79811817 0.30559028 0.34342935
0.77261920 0.56824706 0.28265022
0.81743983 0.48487710 0.22437786
0.83330546 0.35489251 0.25728327
-0.00898641 0.28151530 0.21894410
0.04289280 0.18881505 0.17445858
0.14933368 0.19038625 0.18628180
0.04609356 0.37595893 0.27492831
0.15214750 0.37686117 0.28453637
0.20658855 0.28442534 0.24156035
0.32362538 0.29039338 0.25395162
0.34695741 0.39476455 0.17590784
0.42062702 0.48659504 0.20414718
0.44408841 0.57733804 0.13122461
0.29654543 0.39804474 0.07109271
0.31914930 0.48680878 -0.00296305
0.39337840 0.57704515 0.02744025
0.49853051 0.73428800 -0.03078403
0.49018171 0.86776126 -0.02770395
0.57952879 0.93724142 -0.01181420
0.59409541 0.66982808 -0.01987663
0.68251983 0.74043544 -0.00335673
0.67577852 0.87391874 0.00176141
0.37262539 0.31719538 0.36686620
0.37254272 0.16178547 0.23077613
0.15335138 0.88321761 0.99605198
0.05878501 0.70275309 -0.05181423
0.99162409 0.82089729 0.91177467
0.89123818 0.83097521 0.85643210
0.84672848 0.95563263 0.83074196
0.71145676 0.88653364 0.70284036
0.61575046 0.83407661 0.70201718
0.57895706 0.74221289 0.63132122
0.63971966 0.70550868 0.56311477
0.62679753 0.60502171 0.48627943
0.78237328 0.70384312 0.48460515
0.73314782 0.76261346 0.56300829
0.77102442 0.85355383 0.63145596
0.90055341 0.06483319 0.86294322
0.00233961 0.05215058 0.91857647
0.04764404 0.92890049 0.94170815
0.81007312 0.20326383 0.36634395
0.72844657 0.35274836 0.47116255
0.76299437 0.67068608 0.26030961
0.84418902 0.52071991 0.15606063
0.18767437 0.11584659 0.15137433
-0.00083908 0.11458717 0.13221877
0.00748251 0.44848552 0.31146789
0.19287768 0.45251544 0.32768331
0.50129140 0.64767454 0.15575122
0.46132863 0.48957258 0.28440511
0.23713473 0.32997630 0.04617197
0.27909810 0.48781315 0.91600921
0.57369872 0.04160854 -0.00877691
0.41452219 0.91516015 -0.03579278
0.59839008 0.56545297 0.97714133
0.75727302 0.69035081 0.00516295
0.45678991 0.31130282 0.37997016
0.34913773 0.24541518 0.42038156
0.35101702 0.41272191 0.38832454
0.45610940 0.16951567 0.24329197
0.34508503 0.13670070 0.15032626
0.35616654 0.08232485 0.28250417
0.84927023 0.74598129 0.83309665
0.57210933 0.86350636 0.75888200
0.50588223 0.69832349 0.63179149
0.84488052 0.89536741 0.63129921
0.86234442 0.15962295 0.84217213
0.04459181 0.13722555 0.94193554
0.21544941 0.68824750 0.02744458
0.74496491 0.92861246 0.01561161
0.88513588 0.27107294 0.20557381
0.40872377 0.66679246 0.95090563
0.22725792 0.94558832 0.03220116
0.03833762 0.58992294 -0.06189757
0.74667300 0.97480643 0.77552804
0.55750761 0.53031258 0.46480803
0.86441545 0.72717023 0.46195340
0.15281841 0.74824037 0.99792533
0.71441754 0.60989967 0.44093494
No title
1
13.249131 0.152624 -1.379557
0.236056 10.416479 0.234177
-1.400844 0.478041 13.120563
C H O N
43 30 7 2
Direct configuration= 471
0.74314903 0.52109059 0.37281563
0.75278313 0.38936022 0.40166149
0.79792652 0.30570180 0.34356774
0.77258628 0.56819305 0.28255420
0.81731677 0.48475720 0.22425346
0.83319771 0.35479155 0.25736299
-0.00914048 0.28117904 0.21903551
0.04270955 0.18835766 0.17461145
0.14931181 0.18994298 0.18641716
0.04602687 0.37567236 0.27492675
0.15219708 0.37657578 0.28448632
0.20664422 0.28403913 0.24158083
0.32372328 0.29003696 0.25394392
0.34703433 0.39460424 0.17588997
0.42067779 0.48645647 0.20416051
0.44413323 0.57720134 0.13130342
0.29658202 0.39780986 0.07107833
0.31917549 0.48659546 -0.00293386
0.39341252 0.57689179 0.02747306
0.49846616 0.73441670 -0.03069392
0.49004342 0.86789030 -0.02761840
0.57940910 0.93747935 -0.01162346
0.59413838 0.67007595 -0.01978578
0.68262212 0.74073017 -0.00317141
0.67579384 0.87421406 0.00198191
0.37278225 0.31671615 0.36689434
0.37262217 0.16156648 0.23064241
0.15350031 0.88339151 0.99620112
0.05891727 0.70299345 -0.05177783
0.99176785 0.82108800 0.91165131
0.89134101 0.83117397 0.85629557
0.84679105 0.95585954 0.83055373
0.71139674 0.88662635 0.70264773
0.61567974 0.83409135 0.70189417
0.57886146 0.74226920 0.63123544
0.63966308 0.70568988 0.56297573
0.62667946 0.60506864 0.48613739
0.78233476 0.70409932 0.48438978
0.73314842 0.76282338 0.56275760
0.77099277 0.85381295 0.63121185
0.90053647 0.06504081 0.86287508
0.00235435 0.05236084 0.91859353
0.04776710 0.92910325 0.94168475
0.80987130 0.20336448 0.36661808
0.72830075 0.35309894 0.47131496
0.76296170 0.67065296 0.26001464
0.84407962 0.52043377 0.15589583
0.18757326 0.11531263 0.15155378
-0.00103496 0.11417039 0.13249449
0.00745811 0.44827388 0.31133351
0.19296835 0.45226863 0.32746291
0.50130450 0.64760441 0.15582931
0.46137562 0.48937176 0.28446231
0.23716716 0.32974962 0.04615617
0.27908656 0.48772696 0.91598586
0.57355790 0.04177459 -0.00851870
0.41435713 0.91517907 -0.03566669
0.59848236 0.56575395 0.97722375
0.75737441 0.69078024 0.00537957
0.45696541 0.31097371 0.37997981
0.34935488 0.24481588 0.42038943
0.35110495 0.41218603 0.38840570
0.45623515 0.16939075 0.24300881
0.34505381 0.13655380 0.15022254
0.35645082 0.08205044 0.28242123
0.84933024 0.74618659 0.83284230
0.57207555 0.86340444 0.75872575
0.50575205 0.69829401 0.63166785
0.84489266 0.89561256 0.63104649
0.86230742 0.15977344 0.84217142
0.04459375 0.13734978 0.94222106
0.21554597 0.68864609 0.02775973
0.74504974 0.92902065 0.01596934
0.88497851 0.27089850 0.20569182
0.40869031 0.66688230 0.95091777
0.22740383 0.94589548 0.03242985
0.03843280 0.59018805 -0.06185862
0.74665673 0.97494547 0.77531598
0.55749584 0.53047469 0.46468998
0.86446750 0.72743012 0.46176022
0.15292922 0.74850987 0.99802434
0.71433899 0.61008407 0.44077301
No title
1
13.238383 0.149236 -1.379181
0.233383 10.418133 0.236050
-1.399700 0.480854 13.118542
C H O N
43 30 7 2
Direct configuration= 472
0.74308653 0.52128892 0.37280080
0.75264271 0.38962602 0.40173878
0.79770464 0.30583072 0.34372786
0.77254816 0.56813060 0.28244309
0.81717428 0.48461849 0.22410951
0.83307294 0.35467470 0.25745524
-0.00931894 0.28078995 0.21914133
0.04249728 0.18782844 0.17478838
0.14928640 0.18943014 0.18657386
0.04594960 0.37534082 0.27492497
0.15225443 0.37624565 0.28442845
0.20670860 0.28359234 0.24160458
0.32383657 0.28962467 0.25393506
0.34712337 0.39441881 0.17586931
0.42073654 0.48629618 0.20417596
0.44418509 0.57704320 0.13139463
0.29662435 0.39753816 0.07106173
0.31920577 0.48634868 -0.00290005
0.39345198 0.57671437 0.02751104
0.49839168 0.73456554 -0.03058967
0.48988333 0.86803951 -0.02751943
0.57927055 0.93775450 -0.01140278
0.59418816 0.67036268 -0.01968068
0.68274060 0.74107112 -0.00295701
0.67581162 0.87455564 0.00223703
0.37296376 0.31616180 0.36692696
0.37271412 0.16131319 0.23048771
0.15367276 0.88359270 0.99637369
0.05907045 0.70327153 -0.05173574
0.99193435 0.82130869 0.91150855
0.89146012 0.83140397 0.85613757
0.84686355 0.95612211 0.83033591
0.71132729 0.88673363 0.70242481
0.61559787 0.83410842 0.70175183
0.57875078 0.74233433 0.63113617
0.63959762 0.70589952 0.56281482
0.62654278 0.60512294 0.48597301
0.78229022 0.70439575 0.48414052
0.73314918 0.76306628 0.56246748
0.77095618 0.85411277 0.63092935
0.90051690 0.06528102 0.86279620
0.00237146 0.05260408 0.91861325
0.04790961 0.92933785 0.94165765
0.80963764 0.20348078 0.36693527
0.72813197 0.35350441 0.47149127
0.76292389 0.67061472 0.25967332
0.84395291 0.52010277 0.15570515
0.18745607 0.11469483 0.15176151
-0.00126185 0.11368810 0.13281358
0.00742983 0.44802908 0.31117804
0.19307330 0.45198319 0.32720791
0.50131964 0.64752325 0.15591969
0.46142998 0.48913944 0.28452853
0.23720465 0.32948740 0.04613792
0.27907319 0.48762725 0.91595884
0.57339487 0.04196657 -0.00821994
0.41416602 0.91520086 -0.03552080
0.59858925 0.56610215 0.97731910
0.75749187 0.69127700 0.00563019
0.45716854 0.31059302 0.37999103
0.34960619 0.24412266 0.42039862
0.35120666 0.41156611 0.38849969
0.45638074 0.16924635 0.24268116
0.34501763 0.13638389 0.15010255
0.35677992 0.08173311 0.28232532
0.84939978 0.74642418 0.83254796
0.57203644 0.86328657 0.75854495
0.50560132 0.69825991 0.63152478
0.84490678 0.89589622 0.63075402
0.86226462 0.15994751 0.84217058
0.04459602 0.13749341 0.94255145
0.21565783 0.68910714 0.02812436
0.74514800 0.92949279 0.01638325
0.88479626 0.27069662 0.20582838
0.40865159 0.66698621 0.95093180
0.22757281 0.94625079 0.03269444
0.03854305 0.59049477 -0.06181357
0.74663794 0.97510638 0.77507058
0.55748225 0.53066225 0.46455335
0.86452783 0.72773085 0.46153666
0.15305756 0.74882165 0.99813888
0.71424808 0.61029742 0.44058560
No title
1
13.228540 0.146260 -1.378894
0.231055 10.420078 0.238011
-1.398732 0.483752 13.116461
C H O N
43 30 7 2
Direct configuration= 473
0.74307151 0.52145926 0.37277105
0.75249515 0.38981879 0.40186427
0.79750167 0.30595695 0.34387891
0.77247027 0.56816956 0.28230997
0.81703851 0.48442788 0.22403677
0.83298017 0.35450979 0.25753953
-0.00941612 0.28042893 0.21926664
0.04236011 0.18739368 0.17500918
0.14920550 0.18893127 0.18672702
0.04588355 0.37501988 0.27491045
0.15227893 0.37589391 0.28436066
0.20676193 0.28316246 0.24161769
0.32396275 0.28927468 0.25391730
0.34723500 0.39426738 0.17589554
0.42078158 0.48611950 0.20416506
0.44415755 0.57686485 0.13144643
0.29663172 0.39721780 0.07104126
0.31921376 0.48621322 -0.00293008
0.39352224 0.57657799 0.02752715
0.49830375 0.73471535 -0.03048984
0.48977112 0.86818186 -0.02742218
0.57916937 0.93800390 -0.01116596
0.59422950 0.67062813 -0.01956138
0.68283767 0.74142613 -0.00275258
0.67577763 0.87492082 0.00245668
0.37313766 0.31563825 0.36693054
0.37278956 0.16106049 0.23030444
0.15384288 0.88382627 0.99655038
0.05921176 0.70348786 -0.05168702
0.99210317 0.82156606 0.91139826
0.89157467 0.83164287 0.85596414
0.84691647 0.95628400 0.83013305
0.71130053 0.88685960 0.70221632
0.61552433 0.83413953 0.70160220
0.57864621 0.74237460 0.63101889
0.63950376 0.70606207 0.56267260
0.62653978 0.60539305 0.48587140
0.78226498 0.70467673 0.48387349
0.73312096 0.76330730 0.56222275
0.77093144 0.85440445 0.63063348
0.90054400 0.06551406 0.86270163
0.00239926 0.05279065 0.91862571
0.04801147 0.92956829 0.94161690
0.80940812 0.20362566 0.36722242
0.72798139 0.35389732 0.47163304
0.76289883 0.67056143 0.25934517
0.84383630 0.51981461 0.15547972
0.18734086 0.11411842 0.15196733
-0.00148397 0.11319947 0.13310025
0.00740743 0.44778963 0.31102821
0.19318220 0.45173273 0.32697820
0.50136670 0.64750022 0.15601901
0.46150509 0.48891829 0.28462368
0.23725016 0.32923134 0.04612788
0.27908909 0.48752536 0.91598244
0.57323568 0.04214966 -0.00792984
0.41396227 0.91522486 -0.03538083
0.59869124 0.56642129 0.97740267
0.75765895 0.69172248 0.00588790
0.45738170 0.31021487 0.37999926
0.34982944 0.24343116 0.42040413
0.35128320 0.41098965 0.38858102
0.45654313 0.16910162 0.24238064
0.34498178 0.13621225 0.14999365
0.35708178 0.08142414 0.28224700
0.84946425 0.74662044 0.83228829
0.57199802 0.86317933 0.75840579
0.50546038 0.69824419 0.63140258
0.84493422 0.89618714 0.63048210
0.86221847 0.16009967 0.84216993
0.04460634 0.13763266 0.94286056
0.21577480 0.68956893 0.02847085
0.74524608 0.92992904 0.01676436
0.88454710 0.27050918 0.20594651
0.40859091 0.66700540 0.95097282
0.22769109 0.94654582 0.03291900
0.03863704 0.59079133 -0.06178904
0.74658203 0.97528440 0.77482073
0.55734216 0.53072015 0.46440829
0.86456109 0.72801663 0.46132777
0.15319530 0.74911837 0.99824439
0.71417797 0.61048282 0.44040053
No title
1
13.219555 0.143543 -1.378631
0.228929 10.421853 0.239802
-1.397848 0.486397 13.114561
C H O N
43 30 7 2
Direct configuration= 474
0.74305782 0.52161474 0.37274386
0.75236035 0.38999468 0.40197882
0.79731625 0.30607208 0.34401681
0.77239911 0.56820513 0.28218841
0.81691445 0.48425389 0.22397036
0.83289538 0.35435921 0.25761650
-0.00950498 0.28009935 0.21938110
0.04223471 0.18699676 0.17521083
0.14913150 0.18847586 0.18686692
0.04582315 0.37472692 0.27489722
0.15230127 0.37557287 0.28429881
0.20681058 0.28277009 0.24162972
0.32407798 0.28895526 0.25390113
0.34733696 0.39412918 0.17591952
0.42082271 0.48595825 0.20415514
0.44413235 0.57670203 0.13149374
0.29663841 0.39692540 0.07102260
0.31922104 0.48608958 -0.00295747
0.39358640 0.57645351 0.02754187
0.49822344 0.73485204 -0.03039870
0.48966862 0.86831174 -0.02733341
0.57907695 0.93823146 -0.01094976
0.59426729 0.67087041 -0.01945247
0.68292641 0.74175015 -0.00256596
0.67574662 0.87525407 0.00265720
0.37329646 0.31516041 0.36693388
0.37285845 0.16082990 0.23013714
0.15399834 0.88403947 0.99671170
0.05934089 0.70368535 -0.05164256
0.99225746 0.82180105 0.91129754
0.89167937 0.83186100 0.85580576
0.84696486 0.95643184 0.82994780
0.71127612 0.88697463 0.70202593
0.61545716 0.83416795 0.70146557
0.57855069 0.74241135 0.63091179
0.63941804 0.70621045 0.56254272
0.62653709 0.60563963 0.48577859
0.78224198 0.70493326 0.48362965
0.73309522 0.76352736 0.56199926
0.77090890 0.85467076 0.63036329
0.90056881 0.06572682 0.86261525
0.00242468 0.05296095 0.91863707
0.04810457 0.92977868 0.94157967
0.80919843 0.20375777 0.36748459
0.72784387 0.35425588 0.47176243
0.76287595 0.67051287 0.25904554
0.84372973 0.51955161 0.15527391
0.18723550 0.11359220 0.15215534
-0.00168700 0.11275333 0.13336204
0.00738694 0.44757110 0.31089143
0.19328167 0.45150420 0.32676849
0.50140969 0.64747917 0.15610971
0.46157367 0.48871642 0.28471059
0.23729171 0.32899762 0.04611874
0.27910360 0.48743235 0.91600401
0.57309025 0.04231665 -0.00766497
0.41377611 0.91524667 -0.03525303
0.59878446 0.56671259 0.97747894
0.75781166 0.69212907 0.00612316
0.45757640 0.30986975 0.38000683
0.35003330 0.24280003 0.42040926
0.35135304 0.41046347 0.38865536
0.45669148 0.16896964 0.24210626
0.34494900 0.13605560 0.14989424
0.35735753 0.08114221 0.28217555
0.84952320 0.74679967 0.83205117
0.57196290 0.86308147 0.75827873
0.50533162 0.69822985 0.63129099
0.84495935 0.89645276 0.63023377
0.86217634 0.16023855 0.84216931
0.04461578 0.13775969 0.94314278
0.21588171 0.68999037 0.02878717
0.74533574 0.93032718 0.01711230
0.88431943 0.27033800 0.20605438
0.40853547 0.66702289 0.95101026
0.22779918 0.94681509 0.03312401
0.03872294 0.59106204 -0.06176667
0.74653099 0.97544695 0.77459257
0.55721419 0.53077301 0.46427581
0.86459153 0.72827756 0.46113700
0.15332117 0.74938923 0.99834071
0.71411395 0.61065208 0.44023152
No title
1
13.209032 0.140427 -1.378503
0.226522 10.424319 0.242250
-1.396995 0.489950 13.112318
C H O N
43 30 7 2
Direct configuration= 475
0.74307020 0.52173044 0.37267461
0.75220510 0.39020721 0.40210653
0.79711301 0.30615288 0.34421565
0.77230624 0.56825280 0.28198093
0.81678298 0.48402662 0.22392839
0.83274432 0.35424063 0.25771851
-0.00959422 0.27970667 0.21953825
0.04212818 0.18654063 0.17549905
0.14902049 0.18791253 0.18705813
0.04582206 0.37434962 0.27486244
0.15230350 0.37513163 0.28420360
0.20681818 0.28230031 0.24163835
0.32423934 0.28860556 0.25385630
0.34738047 0.39382483 0.17593709
0.42092115 0.48571370 0.20427299
0.44414217 0.57666541 0.13148453
0.29671734 0.39666700 0.07101279
0.31922280 0.48597579 -0.00296924
0.39363862 0.57631849 0.02752049
0.49817077 0.73504962 -0.03029277
0.48954279 0.86844443 -0.02720870
0.57900063 0.93846702 -0.01066879
0.59430917 0.67121376 -0.01929253
0.68297280 0.74222722 -0.00234247
0.67574985 0.87570853 0.00291024
0.37346122 0.31459053 0.36694416
0.37300602 0.16056143 0.22995839
0.15408116 0.88436764 0.99685192
0.05948073 0.70399350 -0.05160571
0.99242425 0.82210130 0.91119294
0.89176833 0.83209982 0.85554762
0.84698981 0.95658860 0.82972728
0.71127802 0.88715896 0.70177793
0.61541212 0.83421046 0.70125416
0.57842403 0.74243292 0.63075103
0.63932586 0.70635950 0.56236859
0.62641717 0.60589086 0.48562333
0.78219764 0.70523552 0.48333052
0.73300394 0.76382145 0.56176820
0.77088645 0.85498145 0.63001222
0.90063093 0.06590436 0.86247886
0.00250647 0.05314259 0.91866856
0.04822752 0.93005356 0.94154996
0.80892433 0.20397565 0.36778994
0.72766954 0.35468025 0.47193166
0.76285522 0.67045648 0.25867088
0.84357747 0.51922699 0.15502675
0.18709836 0.11296359 0.15240120
-0.00193531 0.11219067 0.13368022
0.00734868 0.44732115 0.31073585
0.19340715 0.45123377 0.32651997
0.50143689 0.64743761 0.15621112
0.46165829 0.48847194 0.28479303
0.23730207 0.32863242 0.04609895
0.27912636 0.48731249 0.91603005
0.57290473 0.04254763 -0.00732903
0.41353089 0.91527401 -0.03509639
0.59889901 0.56703971 0.97756551
0.75807005 0.69260573 0.00643588
0.45785972 0.30942442 0.38001220
0.35027166 0.24200951 0.42039265
0.35142704 0.40978539 0.38873355
0.45687578 0.16879526 0.24176995
0.34488476 0.13583068 0.14972095
0.35767320 0.08078343 0.28209893
0.84962059 0.74703419 0.83179879
0.57189115 0.86298889 0.75819601
0.50517012 0.69822716 0.63117345
0.84501736 0.89681979 0.62992944
0.86211001 0.16042056 0.84216205
0.04463206 0.13791069 0.94347398
0.21607400 0.69047972 0.02919749
0.74538600 0.93076137 0.01751038
0.88401102 0.27007298 0.20615558
0.40843506 0.66695982 0.95109046
0.22795827 0.94712591 0.03338929
0.03880943 0.59132248 -0.06175742
0.74646796 0.97564443 0.77430845
0.55710830 0.53093484 0.46417493
0.86465107 0.72861362 0.46087550
0.15350408 0.74974017 0.99847708
0.71408432 0.61093891 0.44006346
No title
1
13.196400 0.136686 -1.378349
0.223631 10.427280 0.245190
-1.395972 0.494214 13.109626
C H O N
43 30 7 2
Direct configuration= 476
0.74308510 0.52186932 0.37259144
0.75201863 0.39046217 0.40225980
0.79686886 0.30624970 0.34445433
0.77219469 0.56831006 0.28173182
0.81662499 0.48375385 0.22387802
0.83256281 0.35409822 0.25784099
-0.00970152 0.27923533 0.21972700
0.04200009 0.18599307 0.17584516
0.14888699 0.18723635 0.18728779
0.04582068 0.37389683 0.27482075
0.15230608 0.37460213 0.28408938
0.20682721 0.28173653 0.24164881
0.32443313 0.28818597 0.25380256
0.34743268 0.39345959 0.17595825
0.42103936 0.48542019 0.20441454
0.44415396 0.57662147 0.13147347
0.29681212 0.39635694 0.07100107
0.31922488 0.48583924 -0.00298333
0.39370131 0.57615648 0.02749484
0.49810754 0.73528668 -0.03016562
0.48939165 0.86860357 -0.02705901
0.57890898 0.93874958 -0.01033151
0.59435954 0.67162578 -0.01910057
0.68302862 0.74279968 -0.00207424
0.67575379 0.87625381 0.00321395
0.37365905 0.31390667 0.36695662
0.37318327 0.16023936 0.22974385
0.15418072 0.88476146 0.99702020
0.05964879 0.70436334 -0.05156153
0.99262470 0.82246173 0.91106731
0.89187527 0.83238657 0.85523765
0.84701983 0.95677684 0.82946250
0.71128036 0.88738028 0.70148014
0.61535805 0.83426156 0.70100032
0.57827187 0.74245883 0.63055801
0.63921517 0.70653841 0.56215951
0.62627315 0.60619238 0.48543686
0.78214445 0.70559837 0.48297133
0.73289435 0.76417447 0.56149072
0.77085956 0.85535445 0.62959066
0.90070560 0.06611751 0.86231509
0.00260477 0.05336061 0.91870634
0.04837529 0.93038350 0.94151425
0.80859506 0.20423690 0.36815648
0.72746019 0.35518941 0.47213474
0.76283032 0.67038895 0.25822107
0.84339451 0.51883745 0.15473007
0.18693347 0.11220904 0.15269650
-0.00223374 0.11151519 0.13406231
0.00730266 0.44702123 0.31054911
0.19355787 0.45090938 0.32622167
0.50146956 0.64738769 0.15633288
0.46175991 0.48817853 0.28489207
0.23731445 0.32819414 0.04607526
0.27915368 0.48716863 0.91606135
0.57268188 0.04282463 -0.00692576
0.41323630 0.91530667 -0.03490836
0.59903669 0.56743230 0.97766940
0.75838055 0.69317773 0.00681125
0.45820000 0.30889008 0.38001875
0.35055785 0.24106088 0.42037289
0.35151579 0.40897160 0.38882757
0.45709718 0.16858619 0.24136622
0.34480754 0.13556080 0.14951294
0.35805236 0.08035300 0.28200704
0.84973765 0.74731578 0.83149575
0.57180493 0.86287780 0.75809670
0.50497612 0.69822394 0.63103233
0.84508715 0.89726042 0.62956400
0.86203036 0.16063896 0.84215329
0.04465163 0.13809178 0.94387158
0.21630508 0.69106689 0.02969005
0.74544645 0.93128231 0.01798824
0.88364045 0.26975478 0.20627711
0.40831441 0.66688406 0.95118675
0.22814945 0.94749886 0.03370773
0.03891339 0.59163505 -0.06174636
0.74639229 0.97588152 0.77396729
0.55698113 0.53112906 0.46405376
0.86472268 0.72901706 0.46056149
0.15372388 0.75016134 0.99864076
0.71404880 0.61128319 0.43986162
No title
1
13.184472 0.133139 -1.378261
0.220902 10.429760 0.248065
-1.395066 0.498353 13.107060
C H O N
43 30 7 2
Direct configuration= 477
0.74307574 0.52205306 0.37249038
0.75189533 0.39069266 0.40233897
0.79666064 0.30636779 0.34469655
0.77212862 0.56820368 0.28148006
0.81652019 0.48364824 0.22373915
0.83231226 0.35398485 0.25798872
-0.00990029 0.27878188 0.21988990
0.04177433 0.18536705 0.17612032
0.14886495 0.18661421 0.18754257
0.04579082 0.37352847 0.27479517
0.15241460 0.37417509 0.28401622
0.20681844 0.28119528 0.24165242
0.32454992 0.28774071 0.25374455
0.34749064 0.39306818 0.17599278
0.42113667 0.48518189 0.20448240
0.44421538 0.57659029 0.13155300
0.29690165 0.39613409 0.07095988
0.31924090 0.48567313 -0.00291039
0.39370740 0.57601817 0.02750142
0.49804137 0.73548740 -0.03006766
0.48920655 0.86874619 -0.02689305
0.57880222 0.93904206 -0.01002301
0.59441994 0.67200829 -0.01890204
0.68315717 0.74332692 -0.00181686
0.67582180 0.87672145 0.00352025
0.37386926 0.31325957 0.36699927
0.37339659 0.15994010 0.22959416
0.15427574 0.88521521 0.99715840
0.05977701 0.70463588 -0.05156157
0.99270522 0.82275406 0.91092154
0.89198383 0.83261400 0.85492491
0.84701761 0.95701565 0.82921173
0.71126105 0.88760985 0.70115098
0.61529865 0.83433670 0.70078520
0.57814315 0.74250297 0.63036802
0.63910227 0.70669670 0.56194676
0.62606303 0.60639143 0.48521642
0.78211053 0.70597149 0.48268606
0.73278376 0.76447830 0.56118756
0.77086262 0.85573632 0.62924391
0.90076252 0.06624606 0.86213314
0.00271847 0.05361994 0.91874623
0.04853613 0.93067699 0.94151877
0.80827781 0.20444288 0.36850420
0.72724849 0.35563189 0.47236354
0.76280684 0.67036748 0.25778745
0.84317149 0.51841796 0.15454498
0.18676725 0.11153152 0.15299383
-0.00246284 0.11095896 0.13447042
0.00726989 0.44672885 0.31037393
0.19366363 0.45054412 0.32591530
0.50146951 0.64733460 0.15642118
0.46188125 0.48791135 0.28500773
0.23733532 0.32776271 0.04605878
0.27915196 0.48703156 0.91603297
0.57246917 0.04307064 -0.00653742
0.41298210 0.91531940 -0.03473166
0.59916468 0.56782676 0.97776649
0.75861894 0.69377783 0.00716830
0.45851823 0.30837603 0.38001430
0.35081549 0.24019033 0.42030762
0.35159194 0.40816756 0.38890923
0.45731960 0.16837969 0.24098472
0.34471796 0.13527758 0.14927544
0.35838206 0.07996905 0.28191178
0.84986834 0.74758038 0.83124594
0.57173551 0.86278524 0.75802558
0.50477909 0.69822617 0.63092336
0.84516003 0.89769976 0.62920393
0.86196909 0.16079683 0.84214508
0.04467276 0.13824750 0.94421366
0.21660237 0.69156369 0.03017743
0.74545288 0.93173400 0.01840308
0.88337035 0.26941854 0.20638477
0.40824644 0.66688258 0.95123158
0.22829899 0.94779777 0.03399511
0.03902356 0.59203310 -0.06173312
0.74637298 0.97608001 0.77366890
0.55688311 0.53139364 0.46399627
0.86478007 0.72940713 0.46023983
0.15390222 0.75058406 0.99879876
0.71405314 0.61162065 0.43967061
No title
1
13.176603 0.130799 -1.378203
0.219102 10.431396 0.249963
-1.394469 0.501084 13.105367
C H O N
43 30 7 2
Direct configuration= 478
0.74306959 0.52217426 0.37242366
0.75181394 0.39084464 0.40239118
0.79652316 0.30644557 0.34485635
0.77208499 0.56813357 0.28131396
0.81645098 0.48357861 0.22364752
0.83214681 0.35390999 0.25808620
-0.01003161 0.27848272 0.21999743
0.04162518 0.18495405 0.17630194
0.14885030 0.18620382 0.18771076
0.04577105 0.37328553 0.27477833
0.15248619 0.37389349 0.28396801
0.20681257 0.28083830 0.24165486
0.32462698 0.28744708 0.25370634
0.34752886 0.39281003 0.17601561
0.42120089 0.48502473 0.20452720
0.44425594 0.57656971 0.13160548
0.29696074 0.39598714 0.07093274
0.31925145 0.48556356 -0.00286224
0.39371140 0.57592695 0.02750578
0.49799769 0.73561973 -0.03000305
0.48908434 0.86884017 -0.02678357
0.57873175 0.93923486 -0.00981949
0.59445987 0.67226053 -0.01877109
0.68324211 0.74367462 -0.00164710
0.67586676 0.87702981 0.00372230
0.37400798 0.31283282 0.36702751
0.37353741 0.15974280 0.22949545
0.15433854 0.88551446 0.99724953
0.05986171 0.70481566 -0.05156163
0.99275842 0.82294692 0.91082533
0.89205555 0.83276410 0.85471853
0.84701618 0.95717322 0.82904624
0.71124834 0.88776135 0.70093376
0.61525945 0.83438630 0.70064324
0.57805816 0.74253211 0.63024265
0.63902775 0.70680113 0.56180637
0.62592433 0.60652273 0.48507094
0.78208819 0.70621765 0.48249778
0.73271079 0.76467874 0.56098748
0.77086469 0.85598827 0.62901507
0.90080012 0.06633090 0.86201307
0.00279358 0.05379100 0.91877253
0.04864237 0.93087060 0.94152173
0.80806834 0.20457857 0.36873359
0.72710875 0.35592362 0.47251443
0.76279134 0.67035343 0.25750134
0.84302418 0.51814129 0.15442290
0.18665740 0.11108456 0.15319010
-0.00261419 0.11059194 0.13473976
0.00724822 0.44653606 0.31025838
0.19373342 0.45030331 0.32571321
0.50146947 0.64729956 0.15647946
0.46196134 0.48773513 0.28508409
0.23734905 0.32747817 0.04604796
0.27915081 0.48694116 0.91601426
0.57232874 0.04323274 -0.00628123
0.41281425 0.91532770 -0.03461509
0.59924924 0.56808693 0.97783051
0.75877641 0.69417358 0.00740383
0.45872829 0.30803706 0.38001144
0.35098550 0.23961625 0.42026467
0.35164211 0.40763726 0.38896322
0.45746645 0.16824365 0.24073303
0.34465879 0.13509083 0.14911876
0.35859971 0.07971592 0.28184900
0.84995467 0.74775498 0.83108108
0.57168967 0.86272420 0.75797866
0.50464900 0.69822764 0.63085144
0.84520823 0.89798964 0.62896629
0.86192866 0.16090094 0.84213964
0.04468673 0.13835012 0.94443936
0.21679872 0.69189128 0.03049896
0.74545716 0.93203180 0.01867675
0.88319196 0.26919669 0.20645583
0.40820156 0.66688157 0.95126115
0.22839775 0.94799486 0.03418471
0.03909635 0.59229564 -0.06172443
0.74636026 0.97621101 0.77347199
0.55681841 0.53156813 0.46395829
0.86481802 0.72966449 0.46002754
0.15402002 0.75086286 0.99890297
0.71405605 0.61184327 0.43954453
No title
1
13.163454 0.127417 -1.378304
0.216527 10.434195 0.253306
-1.393647 0.505813 13.102560
C H O N
43 30 7 2
Direct configuration= 479
0.74302412 0.52243425 0.37231219
0.75168235 0.39115011 0.40252370
0.79633089 0.30656508 0.34509973
0.77203559 0.56805695 0.28102711
0.81636269 0.48341595 0.22348852
0.83185363 0.35382389 0.25816855
-0.01029666 0.27794948 0.22013990
0.04140002 0.18427271 0.17662839
0.14877307 0.18553131 0.18799713
0.04573886 0.37291286 0.27475340
0.15259556 0.37347217 0.28388688
0.20686411 0.28025452 0.24168093
0.32469591 0.28686875 0.25367780
0.34766558 0.39245429 0.17603668
0.42126990 0.48479234 0.20452406
0.44428821 0.57641785 0.13174556
0.29696409 0.39562081 0.07094159
0.31925945 0.48539663 -0.00285445
0.39372215 0.57585510 0.02763227
0.49791136 0.73580659 -0.02991189
0.48890226 0.86900359 -0.02656483
0.57858631 0.93953067 -0.00950206
0.59458598 0.67266415 -0.01854448
0.68344350 0.74419119 -0.00135863
0.67588544 0.87743885 0.00406046
0.37428074 0.31209611 0.36706986
0.37373531 0.15938021 0.22930188
0.15444777 0.88593268 0.99738282
0.06001610 0.70524048 -0.05158064
0.99281910 0.82322241 0.91066781
0.89215792 0.83306202 0.85436957
0.84702921 0.95741742 0.82876896
0.71118061 0.88803441 0.70055004
0.61514861 0.83448622 0.70045079
0.57792321 0.74263465 0.63006239
0.63888279 0.70698205 0.56154844
0.62589341 0.60689822 0.48487858
0.78209500 0.70664931 0.48222738
0.73264318 0.76503328 0.56063715
0.77086936 0.85638790 0.62865257
0.90084860 0.06651801 0.86181968
0.00288969 0.05404649 0.91879172
0.04875619 0.93120267 0.94152823
0.80772079 0.20472121 0.36912658
0.72688700 0.35638957 0.47274580
0.76277199 0.67027361 0.25704392
0.84276372 0.51767356 0.15424012
0.18649655 0.11035445 0.15352625
-0.00285561 0.10999350 0.13519638
0.00722220 0.44622581 0.31007862
0.19384700 0.44988802 0.32538076
0.50148137 0.64729385 0.15656595
0.46211082 0.48745281 0.28521671
0.23744071 0.32706729 0.04604858
0.27914065 0.48679036 0.91597437
0.57209572 0.04348158 -0.00584925
0.41254717 0.91533120 -0.03442524
0.59938790 0.56857195 0.97794224
0.75896514 0.69490340 0.00779037
0.45904622 0.30747160 0.37999263
0.35125187 0.23869128 0.42015418
0.35171990 0.40673796 0.38905931
0.45775247 0.16801741 0.24032082
0.34457939 0.13477399 0.14889634
0.35893465 0.07932872 0.28173213
0.85009120 0.74799545 0.83082448
0.57165601 0.86262556 0.75788547
0.50443288 0.69823953 0.63075788
0.84528436 0.89848550 0.62854924
0.86189736 0.16097189 0.84213238
0.04472877 0.13854995 0.94477776
0.21712651 0.69244423 0.03101048
0.74548619 0.93254826 0.01910551
0.88290939 0.26887002 0.20662595
0.40817405 0.66697305 0.95123814
0.22858947 0.94836010 0.03451556
0.03920867 0.59268195 -0.06171688
0.74636827 0.97640969 0.77315191
0.55651430 0.53170483 0.46387088
0.86485027 0.73010851 0.45966438
0.15421661 0.75127170 0.99909904
0.71404326 0.61214414 0.43929163
No title
1
13.156157 0.125541 -1.378361
0.215097 10.435749 0.255161
-1.393192 0.508437 13.101002
C H O N
43 30 7 2
Direct configuration= 480
0.74299889 0.52257851 0.37225028
0.75160927 0.39131953 0.40259722
0.79622408 0.30663128 0.34523480
0.77200814 0.56801451 0.28086790
0.81631363 0.48332573 0.22340028
0.83169076 0.35377604 0.25821425
-0.01044395 0.27765356 0.22021903
0.04127487 0.18389458 0.17680967
0.14873010 0.18515812 0.18815617
0.04572094 0.37270610 0.27473960
0.15265627 0.37323846 0.28384191
0.20689269 0.27993064 0.24169548
0.32473414 0.28654791 0.25366203
0.34774149 0.39225694 0.17604842
0.42130821 0.48466343 0.20452235
0.44430612 0.57633357 0.13182334
0.29696591 0.39541758 0.07094654
0.31926388 0.48530402 -0.00285011
0.39372812 0.57581521 0.02770250
0.49786342 0.73591022 -0.02986133
0.48880112 0.86909417 -0.02644346
0.57850554 0.93969469 -0.00932591
0.59465606 0.67288804 -0.01841874
0.68355542 0.74447775 -0.00119856
0.67589585 0.87766571 0.00424810
0.37443219 0.31168742 0.36709348
0.37384521 0.15917913 0.22919449
0.15450849 0.88616468 0.99745677
0.06010191 0.70547619 -0.05159123
0.99285284 0.82337531 0.91058034
0.89221482 0.83322742 0.85417585
0.84703649 0.95755297 0.82861502
0.71114302 0.88818598 0.70033701
0.61508705 0.83454169 0.70034395
0.57784825 0.74269156 0.62996231
0.63880229 0.70708247 0.56140524
0.62587627 0.60710658 0.48477175
0.78209883 0.70688886 0.48207724
0.73260566 0.76523005 0.56044264
0.77087200 0.85660970 0.62845131
0.90087556 0.06662187 0.86171231
0.00294310 0.05418824 0.91880234
0.04881944 0.93138692 0.94153180
0.80752773 0.20480019 0.36934467
0.72676386 0.35664798 0.47287415
0.76276124 0.67022944 0.25679003
0.84261900 0.51741406 0.15413871
0.18640712 0.10994928 0.15371292
-0.00298978 0.10966132 0.13544990
0.00720772 0.44605373 0.30997888
0.19391005 0.44965772 0.32519629
0.50148799 0.64729066 0.15661396
0.46219383 0.48729617 0.28529037
0.23749158 0.32683935 0.04604899
0.27913499 0.48670670 0.91595224
0.57196629 0.04361949 -0.00560952
0.41239881 0.91533305 -0.03431988
0.59946497 0.56884103 0.97800420
0.75907005 0.69530823 0.00800484
0.45922277 0.30715794 0.37998229
0.35139975 0.23817818 0.42009299
0.35176302 0.40623902 0.38911277
0.45791134 0.16789205 0.24009207
0.34453526 0.13459825 0.14877292
0.35912067 0.07911399 0.28166733
0.85016707 0.74812895 0.83068202
0.57163730 0.86257085 0.75783375
0.50431283 0.69824611 0.63070594
0.84532670 0.89876072 0.62831769
0.86187999 0.16101124 0.84212834
0.04475213 0.13866073 0.94496556
0.21730865 0.69275092 0.03129435
0.74550236 0.93283468 0.01934343
0.88275239 0.26868869 0.20672040
0.40815878 0.66702380 0.95122535
0.22869599 0.94856267 0.03469917
0.03927110 0.59289629 -0.06171274
0.74637275 0.97651999 0.77297422
0.55634539 0.53178064 0.46382232
0.86486823 0.73035496 0.45946275
0.15432585 0.75149851 0.99920782
0.71403619 0.61231113 0.43915121
No title
1
13.141404 0.121703 -1.378828
0.212149 10.438387 0.258706
-1.392620 0.513474 13.097859
C H O N
43 30 7 2
Direct configuration= 481
0.74293421 0.52283728 0.37210676
0.75146487 0.39169064 0.40280270
0.79602870 0.30676121 0.34547856
0.77195906 0.56806834 0.28058913
0.81618410 0.48301044 0.22332105
0.83142805 0.35367038 0.25819650
-0.01065069 0.27712071 0.22038257
0.04111323 0.18328254 0.17722843
0.14855327 0.18446318 0.18846161
0.04569490 0.37224184 0.27466801
0.15265683 0.37275021 0.28369870
0.20697889 0.27932638 0.24175801
0.32485561 0.28589085 0.25367514
0.34789142 0.39189807 0.17603504
0.42139052 0.48437409 0.20462708
0.44433407 0.57617269 0.13194197
0.29695652 0.39501660 0.07100129
0.31926206 0.48512219 -0.00288696
0.39370121 0.57582789 0.02784718
0.49783860 0.73612875 -0.02975785
0.48865524 0.86925058 -0.02618092
0.57834239 0.93994426 -0.00900448
0.59483201 0.67335075 -0.01818899
0.68369331 0.74498300 -0.00089201
0.67584140 0.87807320 0.00460676
0.37470161 0.31088101 0.36708088
0.37400945 0.15875615 0.22892553
0.15470215 0.88649419 0.99763546
0.06027273 0.70592357 -0.05161749
0.99299308 0.82372149 0.91045152
0.89227761 0.83356278 0.85380670
0.84710943 0.95778349 0.82831671
0.71102366 0.88849975 0.69995876
0.61495860 0.83464757 0.70013632
0.57767252 0.74283709 0.62980632
0.63869461 0.70736912 0.56113429
0.62572540 0.60726689 0.48450814
0.78213702 0.70732904 0.48179183
0.73258046 0.76565227 0.56010425
0.77086538 0.85697836 0.62804306
0.90093113 0.06685150 0.86155126
0.00299476 0.05444598 0.91879327
0.04884705 0.93168455 0.94151476
0.80716358 0.20488507 0.36976908
0.72655314 0.35714276 0.47306902
0.76275091 0.67005602 0.25632638
0.84237483 0.51696308 0.15385925
0.18627053 0.10917698 0.15408008
-0.00327724 0.10896059 0.13590713
0.00718276 0.44576058 0.30981265
0.19407343 0.44927301 0.32488637
0.50150414 0.64731640 0.15670333
0.46232945 0.48700286 0.28536351
0.23761829 0.32642262 0.04605333
0.27912455 0.48655370 0.91591429
0.57172362 0.04385294 -0.00514617
0.41210721 0.91533855 -0.03412320
0.59961903 0.56938329 0.97813223
0.75929164 0.69609687 0.00841747
0.45954992 0.30655556 0.37994994
0.35166937 0.23720599 0.41996606
0.35184952 0.40526622 0.38922839
0.45823173 0.16765377 0.23965850
0.34448716 0.13426259 0.14860693
0.35945444 0.07871646 0.28153558
0.85029244 0.74833605 0.83041091
0.57162935 0.86248087 0.75773270
0.50411191 0.69827989 0.63063097
0.84538382 0.89928996 0.62785292
0.86186295 0.16103508 0.84210363
0.04481089 0.13889903 0.94527575
0.21760180 0.69337791 0.03178053
0.74556013 0.93341168 0.01977372
0.88238310 0.26840796 0.20696348
0.40813200 0.66711819 0.95119700
0.22889035 0.94897699 0.03504150
0.03940071 0.59334458 -0.06170696
0.74635487 0.97671738 0.77260504
0.55612902 0.53209130 0.46377973
0.86490836 0.73086294 0.45906726
0.15454683 0.75188276 0.99943811
0.71395937 0.61262278 0.43888384
No title
1
13.133009 0.119519 -1.379093
0.210472 10.439888 0.260723
-1.392294 0.516340 13.096070
C H O N
43 30 7 2
Direct configuration= 482
0.74289739 0.52298453 0.37202503
0.75138264 0.39190169 0.40291961
0.79591740 0.30683503 0.34561728
0.77193111 0.56809904 0.28043044
0.81611026 0.48283105 0.22327599
0.83127837 0.35361022 0.25818639
-0.01076854 0.27681746 0.22047572
0.04102106 0.18293417 0.17746686
0.14845244 0.18406768 0.18863556
0.04568001 0.37197772 0.27462732
0.15265709 0.37247246 0.28361725
0.20702794 0.27898259 0.24179369
0.32492474 0.28551705 0.25368271
0.34797680 0.39169392 0.17602748
0.42143738 0.48420945 0.20468674
0.44434998 0.57608114 0.13200952
0.29695112 0.39478845 0.07103250
0.31926100 0.48501875 -0.00290791
0.39368588 0.57583506 0.02792953
0.49782448 0.73625304 -0.02969898
0.48857215 0.86933946 -0.02603151
0.57824947 0.94008613 -0.00882156
0.59493230 0.67361397 -0.01805826
0.68377193 0.74527041 -0.00071758
0.67581042 0.87830492 0.00481085
0.37485501 0.31042226 0.36707385
0.37410298 0.15851560 0.22877251
0.15481252 0.88668164 0.99773715
0.06037010 0.70617815 -0.05163248
0.99307302 0.82391851 0.91037816
0.89231343 0.83375369 0.85359653
0.84715101 0.95791475 0.82814688
0.71095570 0.88867835 0.69974339
0.61488543 0.83470785 0.70001810
0.57757242 0.74291990 0.62971749
0.63863329 0.70753226 0.56098001
0.62563946 0.60735814 0.48435806
0.78215882 0.70757957 0.48162932
0.73256615 0.76589259 0.55991157
0.77086165 0.85718821 0.62781062
0.90096281 0.06698220 0.86145955
0.00302422 0.05459263 0.91878808
0.04886282 0.93185389 0.94150502
0.80695612 0.20493317 0.37001063
0.72643315 0.35742416 0.47317985
0.76274500 0.66995749 0.25606249
0.84223567 0.51670653 0.15370022
0.18619263 0.10873745 0.15428917
-0.00344110 0.10856172 0.13616747
0.00716851 0.44559383 0.30971808
0.19416646 0.44905426 0.32471002
0.50151335 0.64733102 0.15675420
0.46240669 0.48683599 0.28540519
0.23769043 0.32618555 0.04605587
0.27911858 0.48646666 0.91589271
0.57158539 0.04398558 -0.00488248
0.41194108 0.91534156 -0.03401128
0.59970686 0.56969179 0.97820504
0.75941798 0.69654549 0.00865225
0.45973624 0.30621291 0.37993164
0.35182286 0.23665296 0.41989397
0.35189869 0.40471273 0.38929435
0.45841424 0.16751839 0.23941177
0.34445972 0.13407166 0.14851248
0.35964455 0.07849040 0.28146067
0.85036390 0.74845399 0.83025656
0.57162481 0.86242970 0.75767519
0.50399744 0.69829908 0.63058827
0.84541642 0.89959122 0.62758829
0.86185325 0.16104864 0.84208956
0.04484438 0.13903453 0.94545229
0.21776888 0.69373455 0.03205721
0.74559312 0.93373984 0.02001857
0.88217267 0.26824809 0.20710185
0.40811675 0.66717189 0.95118084
0.22900112 0.94921265 0.03523632
0.03947460 0.59359965 -0.06170373
0.74634471 0.97682978 0.77239486
0.55600578 0.53226802 0.46375542
0.86493128 0.73115207 0.45884206
0.15467278 0.75210136 0.99956916
0.71391565 0.61280016 0.43873159
No title
1
13.120553 0.116112 -1.379186
0.207861 10.442613 0.263816
-1.391533 0.520758 13.093281
C H O N
43 30 7 2
Direct configuration= 483
0.74283894 0.52321632 0.37187398
0.75132071 0.39216783 0.40302624
0.79571781 0.30698218 0.34583867
0.77190549 0.56806674 0.28029118
0.81593760 0.48265205 0.22319703
0.83108375 0.35336977 0.25824792
-0.01087935 0.27647701 0.22066638
0.04080548 0.18241694 0.17781217
0.14839148 0.18348527 0.18890863
0.04556266 0.37157276 0.27454282
0.15266187 0.37203969 0.28347347
0.20702766 0.27845260 0.24186880
0.32514543 0.28499313 0.25366092
0.34805489 0.39130423 0.17606234
0.42152627 0.48393421 0.20486249
0.44441397 0.57604453 0.13210191
0.29704033 0.39464961 0.07100515
0.31926844 0.48482095 -0.00284390
0.39354792 0.57588866 0.02790176
0.49789606 0.73650667 -0.02958486
0.48842137 0.86941175 -0.02580526
0.57813616 0.94031562 -0.00854562
0.59501522 0.67397527 -0.01791012
0.68381323 0.74574471 -0.00043961
0.67580273 0.87873027 0.00513312
0.37502436 0.30974043 0.36700648
0.37427201 0.15816817 0.22856624
0.15503479 0.88689714 0.99794124
0.06053175 0.70646333 -0.05163364
0.99320998 0.82425657 0.91026038
0.89237618 0.83396074 0.85333798
0.84723772 0.95809697 0.82786596
0.71086587 0.88892855 0.69943492
0.61480162 0.83481138 0.69981783
0.57743550 0.74303664 0.62954467
0.63855733 0.70786995 0.56077260
0.62553147 0.60750858 0.48419624
0.78213317 0.70788019 0.48135972
0.73254320 0.76621570 0.55962474
0.77083922 0.85753365 0.62750401
0.90101672 0.06711825 0.86138170
0.00305659 0.05486108 0.91878781
0.04892470 0.93203987 0.94152147
0.80665129 0.20500589 0.37036124
0.72627326 0.35784236 0.47332762
0.76274101 0.66983713 0.25565757
0.84206207 0.51635386 0.15339685
0.18608487 0.10811478 0.15463041
-0.00369061 0.10794527 0.13656096
0.00717329 0.44533864 0.30957908
0.19432584 0.44875884 0.32447473
0.50150907 0.64734744 0.15682917
0.46250817 0.48658313 0.28543144
0.23775923 0.32576751 0.04604348
0.27910061 0.48634903 0.91584193
0.57139012 0.04411391 -0.00448821
0.41169692 0.91533760 -0.03384478
0.59985679 0.57015202 0.97832686
0.75969445 0.69718728 0.00901009
0.46002901 0.30569442 0.37989223
0.35204384 0.23581253 0.41980432
0.35198724 0.40384818 0.38940105
0.45863542 0.16730749 0.23903696
0.34443492 0.13376726 0.14838138
0.35990927 0.07813223 0.28134246
0.85044314 0.74860937 0.83001368
0.57161794 0.86238748 0.75761556
0.50385025 0.69834091 0.63054915
0.84541593 0.90002982 0.62717237
0.86181002 0.16112621 0.84202005
0.04488747 0.13921665 0.94563938
0.21797735 0.69425889 0.03241334
0.74560739 0.93421407 0.02034551
0.88184332 0.26800179 0.20730510
0.40807802 0.66717425 0.95122962
0.22913853 0.94956697 0.03550317
0.03959972 0.59405513 -0.06170804
0.74628796 0.97702536 0.77205180
0.55579437 0.53252325 0.46370543
0.86502536 0.73163488 0.45848590
0.15484695 0.75245684 0.99976543
0.71379823 0.61309743 0.43851682
No title
1
13.115488 0.114726 -1.379223
0.206800 10.443721 0.265075
-1.391224 0.522555 13.092146
C H O N
43 30 7 2
Direct configuration= 484
0.74281516 0.52331057 0.37181252
0.75129552 0.39227600 0.40306959
0.79563657 0.30704194 0.34592870
0.77189506 0.56805364 0.28023454
0.81586730 0.48257927 0.22316492
0.83100451 0.35327198 0.25827296
-0.01092448 0.27633854 0.22074396
0.04071769 0.18220657 0.17795265
0.14836662 0.18324843 0.18901975
0.04551486 0.37140812 0.27450848
0.15266379 0.37186377 0.28341502
0.20702750 0.27823712 0.24189940
0.32523522 0.28478016 0.25365212
0.34808665 0.39114581 0.17607655
0.42156243 0.48382230 0.20493400
0.44444001 0.57602963 0.13213950
0.29707664 0.39459318 0.07099405
0.31927146 0.48474053 -0.00281785
0.39349177 0.57591044 0.02789045
0.49792521 0.73660977 -0.02953846
0.48836000 0.86944108 -0.02571325
0.57809006 0.94040885 -0.00843341
0.59504900 0.67412215 -0.01784989
0.68383007 0.74593749 -0.00032658
0.67579963 0.87890313 0.00526416
0.37509325 0.30946326 0.36697915
0.37434079 0.15802698 0.22848238
0.15512528 0.88698474 0.99802424
0.06059757 0.70657929 -0.05163413
0.99326576 0.82439405 0.91021245
0.89240175 0.83404497 0.85323281
0.84727303 0.95817111 0.82775168
0.71082933 0.88903032 0.69930943
0.61476752 0.83485350 0.69973635
0.57737978 0.74308411 0.62947437
0.63852644 0.70800726 0.56068821
0.62548753 0.60756975 0.48413041
0.78212275 0.70800245 0.48125004
0.73253388 0.76634711 0.55950805
0.77083011 0.85767415 0.62737927
0.90103867 0.06717358 0.86135003
0.00306978 0.05497022 0.91878769
0.04894991 0.93211548 0.94152815
0.80652721 0.20503535 0.37050384
0.72620821 0.35801233 0.47338768
0.76273938 0.66978827 0.25549289
0.84199139 0.51621052 0.15327348
0.18604096 0.10786156 0.15476926
-0.00379222 0.10769455 0.13672106
0.00717522 0.44523492 0.30952256
0.19439070 0.44863880 0.32437906
0.50150733 0.64735411 0.15685966
0.46254945 0.48648033 0.28544215
0.23778720 0.32559757 0.04603848
0.27909329 0.48630121 0.91582128
0.57131064 0.04416598 -0.00432786
0.41159754 0.91533593 -0.03377707
0.59991785 0.57033912 0.97837637
0.75980703 0.69744818 0.00915559
0.46014815 0.30548367 0.37987625
0.35213373 0.23547089 0.41976794
0.35202321 0.40349668 0.38944453
0.45872543 0.16722185 0.23888453
0.34442481 0.13364352 0.14832807
0.36001700 0.07798667 0.28129442
0.85047540 0.74867259 0.82991487
0.57161513 0.86237033 0.75759132
0.50379034 0.69835791 0.63053323
0.84541577 0.90020821 0.62700316
0.86179243 0.16115775 0.84199177
0.04490502 0.13929066 0.94571547
0.21806225 0.69447202 0.03255815
0.74561323 0.93440682 0.02047845
0.88170923 0.26790157 0.20738777
0.40806225 0.66717520 0.95124945
0.22919448 0.94971099 0.03561169
0.03965068 0.59424033 -0.06170982
0.74626489 0.97710492 0.77191225
0.55570833 0.53262700 0.46368506
0.86506369 0.73183124 0.45834100
0.15491787 0.75260135 0.99984523
0.71375045 0.61321831 0.43842943
No title
1
13.103743 0.111491 -1.378779
0.204362 10.447694 0.268392
-1.389948 0.527271 13.089837
C H O N
43 30 7 2
Direct configuration= 485
0.74274019 0.52347609 0.37175135
0.75125738 0.39253817 0.40311769
0.79544086 0.30705964 0.34615647
0.77189135 0.56799011 0.28011751
0.81569680 0.48243065 0.22299517
0.83079322 0.35308264 0.25843088
-0.01111311 0.27600616 0.22090162
0.04049218 0.18166069 0.17824269
0.14831836 0.18268499 0.18927686
0.04541598 0.37115683 0.27448972
0.15270950 0.37153221 0.28332154
0.20702659 0.27771252 0.24198353
0.32544887 0.28433392 0.25355363
0.34817616 0.39078973 0.17617336
0.42160865 0.48360566 0.20495957
0.44441006 0.57596778 0.13217994
0.29715518 0.39441022 0.07097687
0.31925996 0.48466169 -0.00284459
0.39337601 0.57597592 0.02789400
0.49792464 0.73680942 -0.02940863
0.48821088 0.86954602 -0.02550381
0.57798172 0.94063201 -0.00816024
0.59508345 0.67443152 -0.01775378
0.68393884 0.74642334 -0.00002759
0.67583082 0.87936511 0.00557938
0.37525532 0.30880810 0.36692007
0.37454251 0.15770733 0.22836221
0.15525473 0.88717920 0.99821022
0.06076854 0.70699697 -0.05160346
0.99337437 0.82463062 0.91007333
0.89248385 0.83417004 0.85304977
0.84731612 0.95829347 0.82744933
0.71079393 0.88924484 0.69901972
0.61468350 0.83495816 0.69953626
0.57729442 0.74321587 0.62927984
0.63841903 0.70830832 0.56047498
0.62543130 0.60789221 0.48410716
0.78216926 0.70828405 0.48092588
0.73252165 0.76663322 0.55924753
0.77078739 0.85802946 0.62709895
0.90103966 0.06729265 0.86129134
0.00316598 0.05515500 0.91884616
0.04912584 0.93238298 0.94160441
0.80623358 0.20518790 0.37081648
0.72608298 0.35841447 0.47350525
0.76274197 0.66970929 0.25510224
0.84183168 0.51587792 0.15299656
0.18595319 0.10729291 0.15512137
-0.00402839 0.10712771 0.13712483
0.00720006 0.44497508 0.30938304
0.19451772 0.44832001 0.32414222
0.50151379 0.64739556 0.15694535
0.46268570 0.48622810 0.28554937
0.23787658 0.32521890 0.04602561
0.27908771 0.48618967 0.91581098
0.57113279 0.04424750 -0.00395681
0.41137353 0.91530582 -0.03361439
0.60008017 0.57073396 0.97850342
0.76008990 0.69806558 0.00949313
0.46041425 0.30498519 0.37982527
0.35234031 0.23465708 0.41969747
0.35212132 0.40264383 0.38954517
0.45888516 0.16700335 0.23852279
0.34440445 0.13332774 0.14817201
0.36025660 0.07761671 0.28117498
0.85052500 0.74881601 0.82966692
0.57160749 0.86236353 0.75754987
0.50366674 0.69839770 0.63051273
0.84536851 0.90061871 0.62659447
0.86171986 0.16128805 0.84187287
0.04494027 0.13945288 0.94581135
0.21824961 0.69491332 0.03285154
0.74560457 0.93485143 0.02075508
0.88146867 0.26759565 0.20754572
0.40803620 0.66717474 0.95132062
0.22936171 0.95007008 0.03586985
0.03975717 0.59453889 -0.06173812
0.74621404 0.97734359 0.77159359
0.55543651 0.53278282 0.46360399
0.86505890 0.73227620 0.45801806
0.15508917 0.75294319 0.00003870
0.71364492 0.61350549 0.43820669
No title
1
13.099969 0.110452 -1.378637
0.203578 10.448971 0.269458
-1.389538 0.528786 13.089095
C H O N
43 30 7 2
Direct configuration= 486
0.74271609 0.52352926 0.37173168
0.75124513 0.39262236 0.40313313
0.79537792 0.30706527 0.34622966
0.77189016 0.56796973 0.28007990
0.81564197 0.48238293 0.22294062
0.83072526 0.35302178 0.25848164
-0.01117380 0.27589937 0.22095231
0.04041962 0.18148531 0.17833594
0.14830281 0.18250399 0.18935953
0.04538417 0.37107612 0.27448370
0.15272418 0.37142574 0.28329152
0.20702627 0.27754402 0.24201061
0.32551756 0.28419063 0.25352202
0.34820492 0.39067536 0.17620449
0.42162350 0.48353608 0.20496780
0.44440042 0.57594791 0.13219294
0.29718042 0.39435147 0.07097136
0.31925625 0.48463638 -0.00285318
0.39333878 0.57599694 0.02789513
0.49792446 0.73687352 -0.02936693
0.48816292 0.86957968 -0.02543651
0.57794688 0.94070364 -0.00807247
0.59509454 0.67453087 -0.01772291
0.68397383 0.74657935 0.00006846
0.67584087 0.87951345 0.00568065
0.37530741 0.30859770 0.36690114
0.37460737 0.15760470 0.22832362
0.15529636 0.88724164 0.99826998
0.06082354 0.70713113 -0.05159363
0.99340932 0.82470663 0.91002861
0.89251026 0.83421024 0.85299094
0.84732999 0.95833282 0.82735216
0.71078256 0.88931378 0.69892661
0.61465650 0.83499180 0.69947196
0.57726698 0.74325821 0.62921732
0.63838450 0.70840503 0.56040643
0.62541324 0.60799578 0.48409967
0.78218424 0.70837455 0.48082169
0.73251773 0.76672514 0.55916379
0.77077368 0.85814361 0.62700884
0.90103999 0.06733090 0.86127247
0.00319693 0.05521435 0.91886494
0.04918243 0.93246890 0.94162889
0.80613916 0.20523682 0.37091693
0.72604273 0.35854359 0.47354300
0.76274281 0.66968397 0.25497671
0.84178031 0.51577112 0.15290759
0.18592493 0.10711022 0.15523456
-0.00410438 0.10694557 0.13725462
0.00720803 0.44489164 0.30933822
0.19455855 0.44821767 0.32406613
0.50151586 0.64740886 0.15697288
0.46272950 0.48614709 0.28558385
0.23790530 0.32509729 0.04602150
0.27908591 0.48615385 0.91580768
0.57107559 0.04427362 -0.00383758
0.41130149 0.91529610 -0.03356211
0.60013238 0.57086077 0.97854422
0.76018089 0.69826385 0.00960155
0.46049980 0.30482513 0.37980893
0.35240671 0.23439573 0.41967489
0.35215282 0.40236991 0.38957757
0.45893652 0.16693324 0.23840657
0.34439789 0.13322634 0.14812188
0.36033364 0.07749793 0.28113662
0.85054097 0.74886212 0.82958722
0.57160503 0.86236135 0.75753655
0.50362699 0.69841047 0.63050614
0.84535335 0.90075060 0.62646311
0.86169653 0.16132991 0.84183466
0.04495161 0.13950497 0.94584215
0.21830987 0.69505502 0.03294579
0.74560181 0.93499419 0.02084394
0.88139129 0.26749735 0.20759650
0.40802782 0.66717457 0.95134349
0.22941550 0.95018538 0.03595279
0.03979143 0.59463479 -0.06174723
0.74619770 0.97742029 0.77149117
0.55534911 0.53283285 0.46357792
0.86505739 0.73241916 0.45791425
0.15514427 0.75305296 0.00010086
0.71361100 0.61359775 0.43813508
No title
1
13.088752 0.106960 -1.378134
0.200919 10.452710 0.272509
-1.388227 0.533175 13.087166
C H O N
43 30 7 2
Direct configuration= 487
0.74264239 0.52364329 0.37172493
0.75117523 0.39284766 0.40322037
0.79520303 0.30704238 0.34641951
0.77189692 0.56794452 0.27991375
0.81549148 0.48216264 0.22277488
0.83052472 0.35295927 0.25860771
-0.01138416 0.27553697 0.22106194
0.04026587 0.18100295 0.17860801
0.14818532 0.18198795 0.18960125
0.04538488 0.37086632 0.27448142
0.15275638 0.37114613 0.28323291
0.20707514 0.27707909 0.24208839
0.32564176 0.28379565 0.25342491
0.34830000 0.39042910 0.17623276
0.42165947 0.48336393 0.20494593
0.44431086 0.57590060 0.13219564
0.29722351 0.39407560 0.07099331
0.31922592 0.48464081 -0.00292513
0.39327871 0.57603673 0.02796995
0.49781801 0.73699974 -0.02923785
0.48804970 0.86971128 -0.02524822
0.57783590 0.94088365 -0.00780872
0.59518206 0.67486734 -0.01763307
0.68413201 0.74703174 0.00036092
0.67585420 0.87988216 0.00596176
0.37549668 0.30796651 0.36688306
0.37475855 0.15729889 0.22820810
0.15543413 0.88755593 0.99847055
0.06093632 0.70738087 -0.05156999
0.99355402 0.82492183 0.90992985
0.89256229 0.83431012 0.85282808
0.84734976 0.95844652 0.82708983
0.71074765 0.88951233 0.69868584
0.61457762 0.83510305 0.69929459
0.57717052 0.74341858 0.62906658
0.63829896 0.70864594 0.56018872
0.62519410 0.60819298 0.48405431
0.78215058 0.70864849 0.48053946
0.73252218 0.76699345 0.55893619
0.77072681 0.85843626 0.62669706
0.90100736 0.06742852 0.86121073
0.00330396 0.05530707 0.91894925
0.04937021 0.93272526 0.94170411
0.80586742 0.20539471 0.37121062
0.72595376 0.35892717 0.47362131
0.76275318 0.66959586 0.25462773
0.84162980 0.51545779 0.15267316
0.18586818 0.10657863 0.15557353
-0.00433864 0.10642398 0.13764691
0.00721162 0.44469589 0.30922781
0.19466350 0.44790045 0.32383731
0.50150177 0.64743127 0.15705220
0.46286770 0.48590478 0.28570563
0.23803430 0.32479780 0.04601329
0.27907832 0.48605169 0.91580668
0.57091003 0.04436184 -0.00349916
0.41108785 0.91525119 -0.03340595
0.60029476 0.57117474 0.97866617
0.76042171 0.69886146 0.00990803
0.46072384 0.30435836 0.37975262
0.35259955 0.23363680 0.41960819
0.35225069 0.40156875 0.38966612
0.45909563 0.16671498 0.23807863
0.34439595 0.13292536 0.14798371
0.36055141 0.07713285 0.28102875
0.85057541 0.74899985 0.82934796
0.57160136 0.86236917 0.75748704
0.50353975 0.69845115 0.63049075
0.84529310 0.90113958 0.62607948
0.86162054 0.16145192 0.84169335
0.04498923 0.13966476 0.94587624
0.21849454 0.69539302 0.03319220
0.74562280 0.93544255 0.02108815
0.88117818 0.26719005 0.20774099
0.40801088 0.66723359 0.95138761
0.22954138 0.95045472 0.03616775
0.03992722 0.59501856 -0.06176890
0.74617904 0.97765163 0.77120016
0.55523879 0.53312273 0.46355244
0.86509258 0.73283150 0.45758595
0.15529456 0.75336547 0.00028047
0.71353359 0.61386543 0.43793855
No title
1
13.084164 0.105532 -1.377929
0.199831 10.454239 0.273757
-1.387690 0.534970 13.086377
C H O N
43 30 7 2
Direct configuration= 488
0.74261223 0.52368992 0.37172216
0.75114663 0.39293977 0.40325604
0.79513143 0.30703297 0.34649718
0.77189969 0.56793424 0.27984578
0.81542986 0.48207256 0.22270708
0.83044261 0.35293366 0.25865930
-0.01147032 0.27538873 0.22110682
0.04020288 0.18080563 0.17871936
0.14813717 0.18177687 0.18970019
0.04538516 0.37078052 0.27448050
0.15276954 0.37103180 0.28320896
0.20709512 0.27688896 0.24212026
0.32569258 0.28363416 0.25338522
0.34833891 0.39032841 0.17624435
0.42167418 0.48329355 0.20493700
0.44427419 0.57588125 0.13219675
0.29724113 0.39396279 0.07100232
0.31921350 0.48464263 -0.00295457
0.39325412 0.57605298 0.02800056
0.49777443 0.73705132 -0.02918506
0.48800334 0.86976505 -0.02517120
0.57779046 0.94095720 -0.00770083
0.59521791 0.67500492 -0.01759634
0.68419679 0.74721670 0.00048054
0.67585967 0.88003289 0.00607674
0.37557413 0.30770842 0.36687573
0.37482042 0.15717387 0.22816087
0.15549055 0.88768443 0.99855259
0.06098251 0.70748300 -0.05156034
0.99361329 0.82500986 0.90988943
0.89258360 0.83435100 0.85276144
0.84735787 0.95849306 0.82698250
0.71073338 0.88959356 0.69858732
0.61454534 0.83514856 0.69922202
0.57713105 0.74348417 0.62900489
0.63826397 0.70874448 0.56009962
0.62510439 0.60827361 0.48403573
0.78213683 0.70876055 0.48042397
0.73252403 0.76710320 0.55884304
0.77070765 0.85855598 0.62656948
0.90099402 0.06746845 0.86118546
0.00334779 0.05534498 0.91898374
0.04944711 0.93283011 0.94173486
0.80575617 0.20545919 0.37133076
0.72591737 0.35908399 0.47365331
0.76275743 0.66955990 0.25448497
0.84156815 0.51532968 0.15257728
0.18584489 0.10636118 0.15571226
-0.00443460 0.10621059 0.13780745
0.00721308 0.44461585 0.30918266
0.19470645 0.44777079 0.32374373
0.50149599 0.64744041 0.15708465
0.46292425 0.48580570 0.28575548
0.23808709 0.32467535 0.04600996
0.27907521 0.48600991 0.91580628
0.57084224 0.04439783 -0.00336071
0.41100038 0.91523277 -0.03334206
0.60036127 0.57130313 0.97871604
0.76052035 0.69910581 0.01003337
0.46081553 0.30416752 0.37972963
0.35267845 0.23332649 0.41958097
0.35229070 0.40124113 0.38970241
0.45916076 0.16662581 0.23794448
0.34439514 0.13280230 0.14792720
0.36064055 0.07698360 0.28098465
0.85058953 0.74905622 0.82925006
0.57159986 0.86237238 0.75746678
0.50350404 0.69846778 0.63048444
0.84526847 0.90129871 0.62592249
0.86158944 0.16150183 0.84163553
0.04500465 0.13973010 0.94589017
0.21857016 0.69553121 0.03329299
0.74563142 0.93562586 0.02118802
0.88109090 0.26706433 0.20780013
0.40800395 0.66725772 0.95140565
0.22959294 0.95056484 0.03625568
0.03998285 0.59517551 -0.06177780
0.74617143 0.97774628 0.77108109
0.55519365 0.53324126 0.46354199
0.86510703 0.73300018 0.45745160
0.15535612 0.75349325 0.00035393
0.71350193 0.61397491 0.43785813
No title
1
13.076162 0.103110 -1.377095
0.197986 10.456946 0.275813
-1.386295 0.537942 13.084820
C H O N
43 30 7 2
Direct configuration= 489
0.74260134 0.52380635 0.37166931
0.75106081 0.39303673 0.40335437
0.79498830 0.30714426 0.34660064
0.77189582 0.56788710 0.27968337
0.81531285 0.48189991 0.22262202
0.83032325 0.35289013 0.25867526
-0.01155705 0.27511842 0.22118707
0.04008600 0.18050207 0.17893505
0.14805597 0.18142292 0.18990059
0.04540167 0.37053070 0.27443017
0.15281720 0.37076435 0.28316078
0.20713139 0.27659776 0.24216299
0.32571102 0.28333212 0.25337223
0.34839576 0.39019891 0.17615841
0.42174601 0.48318972 0.20500543
0.44423285 0.57592993 0.13224487
0.29729413 0.39380393 0.07097734
0.31917198 0.48459921 -0.00289688
0.39321299 0.57604131 0.02802807
0.49769667 0.73715405 -0.02907715
0.48791230 0.86981087 -0.02504019
0.57771477 0.94106383 -0.00749035
0.59533546 0.67530299 -0.01750447
0.68432207 0.74752846 0.00068425
0.67585664 0.88024425 0.00627352
0.37573707 0.30720911 0.36689737
0.37485196 0.15693796 0.22801420
0.15556478 0.88795025 0.99869077
0.06106829 0.70768051 -0.05153135
0.99374469 0.82520936 0.90985667
0.89261622 0.83447535 0.85263900
0.84737588 0.95859455 0.82685985
0.71069280 0.88974716 0.69842027
0.61449237 0.83526352 0.69912482
0.57704512 0.74363212 0.62891623
0.63819674 0.70890690 0.55997206
0.62499616 0.60849607 0.48396933
0.78206798 0.70899686 0.48022713
0.73250870 0.76726525 0.55864580
0.77066883 0.85874319 0.62630482
0.90098917 0.06752131 0.86114051
0.00336160 0.05540998 0.91902400
0.04953226 0.93293639 0.94175134
0.80556533 0.20551290 0.37157388
0.72586643 0.35935658 0.47372561
0.76277642 0.66947093 0.25424412
0.84145357 0.51507901 0.15242958
0.18581891 0.10596692 0.15597997
-0.00462336 0.10583083 0.13811973
0.00718790 0.44453859 0.30912830
0.19479527 0.44755490 0.32358462
0.50142666 0.64739789 0.15712487
0.46299685 0.48562037 0.28577929
0.23819987 0.32446764 0.04599676
0.27904409 0.48594779 0.91576070
0.57071710 0.04449883 -0.00311757
0.41083179 0.91519318 -0.03321878
0.60049427 0.57152682 0.97880838
0.76068438 0.69957331 0.01025608
0.46098181 0.30381121 0.37968401
0.35282713 0.23275656 0.41952628
0.35236998 0.40064586 0.38976431
0.45931757 0.16644856 0.23771929
0.34441992 0.13257949 0.14785465
0.36079958 0.07669333 0.28091522
0.85060702 0.74915972 0.82906561
0.57159886 0.86238541 0.75740437
0.50345947 0.69849969 0.63047178
0.84523230 0.90160939 0.62563360
0.86154490 0.16154443 0.84151220
0.04504223 0.13985509 0.94586769
0.21871438 0.69571597 0.03344761
0.74568551 0.93600821 0.02136377
0.88087638 0.26687358 0.20793228
0.40795411 0.66735047 0.95141417
0.22974670 0.95076720 0.03644118
0.04009621 0.59542755 -0.06179996
0.74618166 0.97789078 0.77084955
0.55507177 0.53341916 0.46353853
0.86514194 0.73328665 0.45718268
0.15545884 0.75371538 0.00049427
0.71345174 0.61416577 0.43775898
No title
1
13.068563 0.100810 -1.376303
0.196234 10.459517 0.277767
-1.384970 0.540765 13.083341
C H O N
43 30 7 2
Direct configuration= 490
0.74259100 0.52391692 0.37161910
0.75097926 0.39312874 0.40344776
0.79485229 0.30724986 0.34669890
0.77189216 0.56784238 0.27952911
0.81520163 0.48173598 0.22254125
0.83020982 0.35284877 0.25869043
-0.01163951 0.27486172 0.22126333
0.03997488 0.18021376 0.17913996
0.14797875 0.18108678 0.19009098
0.04541733 0.37029351 0.27438239
0.15286247 0.37051043 0.28311506
0.20716582 0.27632127 0.24220362
0.32572852 0.28304535 0.25335994
0.34844979 0.39007599 0.17607679
0.42181425 0.48309112 0.20507044
0.44419357 0.57597613 0.13229057
0.29734447 0.39365311 0.07095363
0.31913251 0.48455796 -0.00284208
0.39317391 0.57603022 0.02805421
0.49762278 0.73725155 -0.02897466
0.48782577 0.86985432 -0.02491577
0.57764284 0.94116499 -0.00729044
0.59544720 0.67558600 -0.01741725
0.68444115 0.74782444 0.00087769
0.67585376 0.88044488 0.00646040
0.37589185 0.30673505 0.36691799
0.37488191 0.15671402 0.22787493
0.15563533 0.88820263 0.99882198
0.06114983 0.70786805 -0.05150383
0.99386958 0.82539883 0.90982552
0.89264725 0.83459347 0.85252269
0.84739302 0.95869095 0.82674334
0.71065427 0.88989304 0.69826158
0.61444207 0.83537269 0.69903249
0.57696348 0.74377260 0.62883200
0.63813289 0.70906113 0.55985088
0.62489334 0.60870730 0.48390624
0.78200259 0.70922127 0.48004014
0.73249417 0.76741916 0.55845842
0.77063198 0.85892101 0.62605340
0.90098457 0.06757151 0.86109780
0.00337473 0.05547168 0.91906223
0.04961319 0.93303731 0.94176698
0.80538396 0.20556379 0.37180480
0.72581806 0.35961536 0.47379424
0.76279447 0.66938652 0.25401537
0.84134466 0.51484102 0.15228932
0.18579414 0.10559250 0.15623430
-0.00480280 0.10547013 0.13841640
0.00716397 0.44446524 0.30907668
0.19487966 0.44734999 0.32343352
0.50136077 0.64735749 0.15716308
0.46306580 0.48544442 0.28580192
0.23830702 0.32427046 0.04598424
0.27901451 0.48588882 0.91571741
0.57059818 0.04459463 -0.00288663
0.41067157 0.91515551 -0.03310169
0.60062068 0.57173922 0.97889606
0.76084030 0.70001716 0.01046755
0.46113978 0.30347295 0.37964072
0.35296835 0.23221546 0.41947440
0.35244523 0.40008066 0.38982317
0.45946659 0.16628036 0.23750541
0.34444345 0.13236795 0.14778577
0.36095068 0.07641778 0.28084931
0.85062367 0.74925805 0.82889039
0.57159790 0.86239779 0.75734509
0.50341712 0.69852999 0.63045976
0.84519798 0.90190446 0.62535915
0.86150260 0.16158490 0.84139505
0.04507797 0.13997379 0.94584632
0.21885145 0.69589137 0.03359446
0.74573695 0.93637122 0.02153065
0.88067247 0.26669238 0.20805783
0.40790676 0.66743852 0.95142224
0.22989284 0.95095931 0.03661735
0.04020397 0.59566688 -0.06182105
0.74619143 0.97802804 0.77062961
0.55495596 0.53358806 0.46353521
0.86517516 0.73355873 0.45692720
0.15555648 0.75392626 0.00062755
0.71340407 0.61434700 0.43766478
No title
1
13.060788 0.098786 -1.375099
0.194708 10.462059 0.279711
-1.383206 0.543537 13.081812
C H O N
43 30 7 2
Direct configuration= 491
0.74260706 0.52402949 0.37154072
0.75088756 0.39329663 0.40347851
0.79471594 0.30735917 0.34679796
0.77184743 0.56777709 0.27940134
0.81510508 0.48161377 0.22243799
0.83009685 0.35274888 0.25869005
-0.01171868 0.27463832 0.22135758
0.03983245 0.17988397 0.17932649
0.14796953 0.18076254 0.19029629
0.04536349 0.37007591 0.27434588
0.15294211 0.37022765 0.28307186
0.20716167 0.27604517 0.24222121
0.32576123 0.28275206 0.25335577
0.34852695 0.38992846 0.17604391
0.42186585 0.48300770 0.20511186
0.44413712 0.57600266 0.13236962
0.29740030 0.39353615 0.07090263
0.31906525 0.48451511 -0.00282584
0.39313575 0.57601737 0.02806442
0.49765223 0.73737208 -0.02886598
0.48770018 0.86986700 -0.02478922
0.57757821 0.94127283 -0.00707390
0.59552361 0.67580714 -0.01730695
0.68454088 0.74810883 0.00105089
0.67590605 0.88071733 0.00666413
0.37602098 0.30625669 0.36693194
0.37492822 0.15649801 0.22775642
0.15573517 0.88839985 0.99895678
0.06127657 0.70812556 -0.05145736
0.99390976 0.82555318 0.90977494
0.89271468 0.83475552 0.85241858
0.84740666 0.95876420 0.82667392
0.71063356 0.89003237 0.69806685
0.61440114 0.83549090 0.69894378
0.57689703 0.74392781 0.62875211
0.63804327 0.70923154 0.55978362
0.62483758 0.60894675 0.48379847
0.78203776 0.70948424 0.47980843
0.73244691 0.76757982 0.55825511
0.77058749 0.85911312 0.62581107
0.90100181 0.06764858 0.86105589
0.00335175 0.05557233 0.91907765
0.04965453 0.93318255 0.94176566
0.80520057 0.20564387 0.37203748
0.72575441 0.35983458 0.47394453
0.76282480 0.66928134 0.25378835
0.84122758 0.51457643 0.15216939
0.18576334 0.10522595 0.15651839
-0.00498409 0.10512880 0.13875113
0.00716381 0.44434785 0.30899909
0.19497411 0.44715131 0.32328539
0.50129195 0.64733544 0.15720437
0.46313091 0.48525986 0.28581406
0.23841125 0.32405573 0.04595774
0.27898929 0.48584189 0.91569510
0.57047674 0.04469217 -0.00265667
0.41050852 0.91511000 -0.03297406
0.60076179 0.57202941 0.97898862
0.76101990 0.70047159 0.01068484
0.46133176 0.30310891 0.37959654
0.35311909 0.23163404 0.41943302
0.35253173 0.39949653 0.38988722
0.45959019 0.16609416 0.23729466
0.34446201 0.13214039 0.14768926
0.36110246 0.07613319 0.28077813
0.85065242 0.74938838 0.82871451
0.57157757 0.86242640 0.75728512
0.50336465 0.69855634 0.63044600
0.84517181 0.90222137 0.62506961
0.86148107 0.16156549 0.84126908
0.04511011 0.14006891 0.94578802
0.21897291 0.69605593 0.03371208
0.74576773 0.93673930 0.02169180
0.88047095 0.26653061 0.20819389
0.40780283 0.66751636 0.95142839
0.23006199 0.95116061 0.03680915
0.04031013 0.59584386 -0.06185246
0.74622056 0.97815270 0.77039710
0.55479394 0.53373145 0.46354175
0.86510457 0.73379772 0.45667315
0.15566874 0.75413599 0.00078449
0.71337326 0.61451089 0.43757779
No title
1
13.054418 0.097128 -1.374112
0.193458 10.464141 0.281303
-1.381761 0.545808 13.080560
C H O N
43 30 7 2
Direct configuration= 492
0.74262023 0.52412170 0.37147649
0.75081241 0.39343409 0.40350368
0.79460417 0.30744864 0.34687910
0.77181077 0.56772364 0.27929667
0.81502594 0.48151369 0.22235341
0.83000425 0.35266706 0.25868974
-0.01178359 0.27445532 0.22143483
0.03971566 0.17961382 0.17947935
0.14796192 0.18049696 0.19046453
0.04531935 0.36989770 0.27431600
0.15300736 0.36999608 0.28303651
0.20715825 0.27581905 0.24223566
0.32578801 0.28251187 0.25335239
0.34859019 0.38980767 0.17601699
0.42190812 0.48293937 0.20514580
0.44409083 0.57602436 0.13243438
0.29744605 0.39344037 0.07086085
0.31901011 0.48448000 -0.00281253
0.39310447 0.57600684 0.02807279
0.49767637 0.73747078 -0.02877697
0.48759723 0.86987734 -0.02468555
0.57752522 0.94136108 -0.00689651
0.59558624 0.67598824 -0.01721662
0.68462263 0.74834171 0.00119274
0.67594892 0.88094042 0.00683100
0.37612678 0.30586495 0.36694342
0.37496617 0.15632115 0.22765936
0.15581701 0.88856135 0.99906720
0.06138047 0.70833647 -0.05141932
0.99394270 0.82567961 0.90973348
0.89276997 0.83488827 0.85233326
0.84741785 0.95882420 0.82661704
0.71061661 0.89014652 0.69790730
0.61436761 0.83558772 0.69887109
0.57684258 0.74405493 0.62868664
0.63796984 0.70937110 0.55972850
0.62479191 0.60914287 0.48371015
0.78206663 0.70969965 0.47961857
0.73240822 0.76771144 0.55808853
0.77055107 0.85927051 0.62561252
0.90101595 0.06771171 0.86102155
0.00333292 0.05565476 0.91909027
0.04968843 0.93330150 0.94176456
0.80505025 0.20570936 0.37222811
0.72570224 0.36001407 0.47406764
0.76284967 0.66919526 0.25360237
0.84113160 0.51435975 0.15207116
0.18573804 0.10492570 0.15675117
-0.00513275 0.10484917 0.13902540
0.00716368 0.44425172 0.30893554
0.19505151 0.44698864 0.32316405
0.50123553 0.64731737 0.15723821
0.46318426 0.48510873 0.28582402
0.23849667 0.32387989 0.04593605
0.27896862 0.48580345 0.91567682
0.57037719 0.04477197 -0.00246829
0.41037486 0.91507266 -0.03286950
0.60087746 0.57226707 0.97906441
0.76116713 0.70084373 0.01086279
0.46148909 0.30281082 0.37956037
0.35324260 0.23115790 0.41939919
0.35260257 0.39901815 0.38993976
0.45969150 0.16594173 0.23712201
0.34447722 0.13195405 0.14761021
0.36122685 0.07590015 0.28071985
0.85067602 0.74949515 0.82857040
0.57156090 0.86244984 0.75723599
0.50332164 0.69857791 0.63043473
0.84515041 0.90248096 0.62483238
0.86146344 0.16154962 0.84116589
0.04513646 0.14014683 0.94574025
0.21907246 0.69619068 0.03380842
0.74579297 0.93704072 0.02182378
0.88030575 0.26639807 0.20830538
0.40771765 0.66758009 0.95143342
0.23020063 0.95132545 0.03696626
0.04039717 0.59598882 -0.06187822
0.74624448 0.97825484 0.77020660
0.55466115 0.53384886 0.46354710
0.86504676 0.73399350 0.45646499
0.15576077 0.75430772 0.00091304
0.71334802 0.61464512 0.43750650
No title
1
13.046350 0.095093 -1.372912
0.191918 10.466577 0.283242
-1.379948 0.548564 13.079250
C H O N
43 30 7 2
Direct configuration= 493
0.74261947 0.52423891 0.37142857
0.75070905 0.39366183 0.40351760
0.79447240 0.30750173 0.34698725
0.77174230 0.56766985 0.27915987
0.81493525 0.48138753 0.22225785
0.82985618 0.35256883 0.25870282
-0.01190745 0.27424340 0.22153288
0.03961723 0.17927261 0.17967631
0.14793303 0.18015215 0.19065786
0.04526612 0.36972605 0.27431408
0.15303523 0.36974442 0.28300977
0.20716277 0.27552520 0.24224274
0.32587365 0.28221630 0.25332385
0.34868475 0.38960708 0.17605952
0.42190988 0.48282850 0.20514995
0.44399472 0.57601168 0.13247705
0.29749427 0.39329923 0.07083940
0.31894637 0.48448801 -0.00288559
0.39306035 0.57600432 0.02809503
0.49772526 0.73757774 -0.02868300
0.48749689 0.86991611 -0.02453901
0.57745367 0.94147920 -0.00666884
0.59565231 0.67617049 -0.01707907
0.68470047 0.74865447 0.00134986
0.67601213 0.88125355 0.00704218
0.37624409 0.30538145 0.36693786
0.37505558 0.15610593 0.22757809
0.15598082 0.88874236 0.99921794
0.06150022 0.70849543 -0.05138368
0.99397169 0.82580901 0.90970401
0.89280539 0.83502543 0.85221006
0.84742150 0.95890872 0.82656939
0.71061315 0.89028633 0.69768373
0.61433802 0.83570815 0.69876957
0.57676286 0.74421158 0.62863094
0.63789949 0.70954123 0.55965047
0.62467577 0.60929348 0.48355730
0.78199234 0.70993601 0.47941081
0.73234509 0.76792598 0.55789279
0.77052222 0.85948029 0.62536866
0.90101617 0.06778552 0.86096332
0.00332817 0.05579258 0.91909729
0.04971152 0.93348451 0.94176965
0.80485841 0.20586518 0.37245205
0.72563099 0.36021903 0.47426306
0.76288935 0.66907003 0.25337384
0.84101547 0.51408727 0.15193766
0.18570845 0.10455462 0.15706356
-0.00532739 0.10450175 0.13938755
0.00718776 0.44407650 0.30882485
0.19515399 0.44677927 0.32301117
0.50118815 0.64734955 0.15729521
0.46325790 0.48491784 0.28585305
0.23859809 0.32364660 0.04589493
0.27894795 0.48576927 0.91568209
0.57025049 0.04485479 -0.00223696
0.41019995 0.91501675 -0.03273149
0.60103314 0.57261215 0.97916134
0.76137843 0.70129790 0.01108618
0.46170283 0.30241549 0.37951252
0.35340485 0.23052748 0.41937402
0.35269892 0.39842063 0.39001770
0.45977015 0.16573970 0.23691169
0.34448260 0.13171219 0.14747873
0.36137963 0.07561598 0.28063552
0.85073635 0.74969371 0.82840200
0.57151376 0.86250124 0.75718641
0.50325491 0.69860718 0.63042005
0.84512125 0.90281155 0.62452379
0.86145329 0.16150175 0.84102782
0.04516279 0.14021895 0.94565256
0.21918133 0.69635527 0.03390164
0.74581145 0.93741786 0.02198625
0.88015394 0.26622303 0.20843088
0.40761029 0.66765535 0.95145800
0.23033503 0.95149580 0.03714533
0.04053666 0.59626299 -0.06190104
0.74629805 0.97837601 0.76997252
0.55454405 0.53406639 0.46357716
0.86506851 0.73426266 0.45615330
0.15587903 0.75452879 0.00108803
0.71334514 0.61478040 0.43738701
No title
1
13.037235 0.092794 -1.371555
0.190180 10.469329 0.285432
-1.377899 0.551676 13.077771
C H O N
43 30 7 2
Direct configuration= 494
0.74261863 0.52437130 0.37137441
0.75059225 0.39391900 0.40353329
0.79432346 0.30756163 0.34710943
0.77166492 0.56760913 0.27900533
0.81483275 0.48124505 0.22214991
0.82968880 0.35245786 0.25871762
-0.01204747 0.27400401 0.22164369
0.03950590 0.17888719 0.17989887
0.14790031 0.17976268 0.19087632
0.04520593 0.36953219 0.27431195
0.15306669 0.36946022 0.28297961
0.20716784 0.27519334 0.24225078
0.32597042 0.28188252 0.25329166
0.34879159 0.38938055 0.17610758
0.42191184 0.48270329 0.20515467
0.44388608 0.57599732 0.13252526
0.29754876 0.39313985 0.07081519
0.31887432 0.48449705 -0.00296811
0.39301049 0.57600146 0.02812015
0.49778052 0.73769851 -0.02857685
0.48738345 0.86995983 -0.02437347
0.57737279 0.94161251 -0.00641167
0.59572699 0.67637630 -0.01692372
0.68478847 0.74900766 0.00152732
0.67608358 0.88160712 0.00728070
0.37637663 0.30483544 0.36693164
0.37515662 0.15586292 0.22748631
0.15616598 0.88894678 0.99938820
0.06163558 0.70867497 -0.05134343
0.99400448 0.82595516 0.90967070
0.89284546 0.83518036 0.85207086
0.84742563 0.95900418 0.82651556
0.71060929 0.89044430 0.69743115
0.61430460 0.83584419 0.69865486
0.57667278 0.74438850 0.62856800
0.63781999 0.70973337 0.55956230
0.62454455 0.60946360 0.48338461
0.78190843 0.71020298 0.47917607
0.73227379 0.76816831 0.55767164
0.77048968 0.85971727 0.62509314
0.90101644 0.06786890 0.86089752
0.00332282 0.05594823 0.91910520
0.04973764 0.93369120 0.94177538
0.80464157 0.20604105 0.37270503
0.72555046 0.36045042 0.47448380
0.76293422 0.66892867 0.25311570
0.84088419 0.51377957 0.15178689
0.18567491 0.10413544 0.15741653
-0.00554749 0.10410925 0.13979673
0.00721497 0.44387865 0.30869982
0.19526981 0.44654289 0.32283849
0.50113459 0.64738587 0.15735961
0.46334112 0.48470226 0.28588586
0.23871270 0.32338317 0.04584851
0.27892458 0.48573066 0.91568805
0.57010725 0.04494823 -0.00197563
0.41000223 0.91495353 -0.03257557
0.60120912 0.57300185 0.97927079
0.76161729 0.70181078 0.01133845
0.46194437 0.30196909 0.37945851
0.35358818 0.22981557 0.41934568
0.35280774 0.39774583 0.39010583
0.45985905 0.16551161 0.23667412
0.34448867 0.13143908 0.14733022
0.36155229 0.07529512 0.28054028
0.85080460 0.74991801 0.82821173
0.57146048 0.86255930 0.75713040
0.50317950 0.69864022 0.63040346
0.84508838 0.90318498 0.62417513
0.86144182 0.16144773 0.84087185
0.04519257 0.14030042 0.94555349
0.21930440 0.69654115 0.03400691
0.74583236 0.93784373 0.02216973
0.87998232 0.26602529 0.20857268
0.40748895 0.66774032 0.95148576
0.23048693 0.95168815 0.03734758
0.04069438 0.59657266 -0.06192687
0.74635864 0.97851294 0.76970806
0.55441173 0.53431202 0.46361109
0.86509317 0.73456673 0.45580113
0.15601271 0.75477843 0.00128568
0.71334192 0.61493323 0.43725200
No title
1
13.028005 0.090773 -1.369935
0.188667 10.472807 0.287651
-1.375563 0.554829 13.076278
C H O N
43 30 7 2
Direct configuration= 495
0.74257749 0.52453587 0.37134537
0.75045715 0.39406537 0.40365298
0.79415755 0.30764718 0.34722314
0.77159796 0.56754726 0.27881462
0.81471619 0.48106814 0.22209255
0.82947645 0.35237827 0.25877314
-0.01217945 0.27374804 0.22174906
0.03943693 0.17857960 0.18017163
0.14779698 0.17935642 0.19106266
0.04521028 0.36930560 0.27431235
0.15301672 0.36923177 0.28295586
0.20720337 0.27487215 0.24227502
0.32612758 0.28153819 0.25323781
0.34885799 0.38907990 0.17614867
0.42188192 0.48252319 0.20519477
0.44378624 0.57599571 0.13251131
0.29760689 0.39298048 0.07083401
0.31886515 0.48448732 -0.00299629
0.39292014 0.57602644 0.02812407
0.49772094 0.73778625 -0.02850940
0.48734829 0.87005381 -0.02418013
0.57729251 0.94176524 -0.00615571
0.59584536 0.67666067 -0.01673419
0.68489505 0.74941745 0.00170027
0.67607458 0.88190835 0.00750136
0.37653866 0.30426849 0.36692316
0.37524778 0.15558546 0.22737017
0.15628276 0.88910210 0.99950427
0.06175574 0.70893898 -0.05131670
0.99409712 0.82611970 0.90970062
0.89285052 0.83530943 0.85193472
0.84742293 0.95911937 0.82644833
0.71062775 0.89062127 0.69719650
0.61425657 0.83598171 0.69854704
0.57656832 0.74452246 0.62851694
0.63776256 0.70988940 0.55940247
0.62446111 0.60967800 0.48327639
0.78185349 0.71044584 0.47892023
0.73219381 0.76846138 0.55744671
0.77050861 0.85998958 0.62480983
0.90099361 0.06789958 0.86082111
0.00335170 0.05608225 0.91908987
0.04980032 0.93385053 0.94182977
0.80442412 0.20625875 0.37295435
0.72549262 0.36071880 0.47465491
0.76298155 0.66879654 0.25285541
0.84076806 0.51348923 0.15159328
0.18565996 0.10368870 0.15778118
-0.00578101 0.10369592 0.14021728
0.00722851 0.44368906 0.30857224
0.19538847 0.44629108 0.32266226
0.50107660 0.64745574 0.15743009
0.46341902 0.48449098 0.28591486
0.23882063 0.32310312 0.04578813
0.27886885 0.48571641 0.91564937
0.56995544 0.04502405 -0.00171661
0.40980188 0.91486927 -0.03240908
0.60140141 0.57333772 0.97938142
0.76185506 0.70231798 0.01158265
0.46216530 0.30149335 0.37939628
0.35378653 0.22908157 0.41932218
0.35292108 0.39708461 0.39021676
0.45993554 0.16527839 0.23645236
0.34449455 0.13117806 0.14719647
0.36171931 0.07498980 0.28043383
0.85088684 0.75018134 0.82801997
0.57139204 0.86264370 0.75707527
0.50307797 0.69868398 0.63039177
0.84505189 0.90355755 0.62380881
0.86141620 0.16143054 0.84069116
0.04523625 0.14040619 0.94544326
0.21943053 0.69672217 0.03409364
0.74587347 0.93829268 0.02236239
0.87985463 0.26580484 0.20867866
0.40745290 0.66785997 0.95155600
0.23065979 0.95189178 0.03756085
0.04087437 0.59683133 -0.06195052
0.74641579 0.97865457 0.76943807
0.55422545 0.53451576 0.46361560
0.86508725 0.73487378 0.45543565
0.15612955 0.75501644 0.00148184
0.71333434 0.61508211 0.43709872
No title
1
13.020575 0.089146 -1.368630
0.187448 10.475606 0.289437
-1.373682 0.557366 13.075077
C H O N
43 30 7 2
Direct configuration= 496
0.74254437 0.52466829 0.37132197
0.75034832 0.39418309 0.40374932
0.79402391 0.30771597 0.34731467
0.77154404 0.56749751 0.27866110
0.81462230 0.48092578 0.22204640
0.82930539 0.35231419 0.25881786
-0.01228580 0.27354202 0.22183393
0.03938131 0.17833201 0.18039124
0.14771368 0.17902944 0.19121272
0.04521377 0.36912327 0.27431270
0.15297646 0.36904794 0.28293677
0.20723196 0.27461369 0.24229456
0.32625415 0.28126114 0.25319449
0.34891143 0.38883797 0.17618178
0.42185779 0.48237824 0.20522708
0.44370583 0.57599439 0.13250008
0.29765369 0.39285225 0.07084918
0.31885777 0.48447950 -0.00301898
0.39284736 0.57604652 0.02812723
0.49767294 0.73785683 -0.02845510
0.48731995 0.87012938 -0.02402450
0.57722783 0.94188806 -0.00594967
0.59594071 0.67688947 -0.01658165
0.68498092 0.74974719 0.00183944
0.67606733 0.88215069 0.00767897
0.37666913 0.30381231 0.36691639
0.37532120 0.15536224 0.22727670
0.15637682 0.88922708 0.99959768
0.06185256 0.70915143 -0.05129522
0.99417175 0.82625212 0.90972467
0.89285462 0.83541333 0.85182511
0.84742078 0.95921208 0.82639419
0.71064266 0.89076373 0.69700757
0.61421791 0.83609240 0.69846023
0.57648419 0.74463025 0.62847583
0.63771634 0.71001499 0.55927378
0.62439393 0.60985054 0.48318925
0.78180930 0.71064131 0.47871425
0.73212945 0.76869725 0.55726560
0.77052393 0.86020878 0.62458173
0.90097523 0.06792429 0.86075960
0.00337497 0.05619010 0.91907752
0.04985082 0.93397873 0.94187354
0.80424894 0.20643384 0.37315505
0.72544602 0.36093471 0.47479262
0.76301969 0.66869028 0.25264589
0.84067452 0.51325563 0.15143746
0.18564782 0.10332913 0.15807480
-0.00596920 0.10336317 0.14055589
0.00723942 0.44353653 0.30846956
0.19548405 0.44608852 0.32252041
0.50102989 0.64751193 0.15748683
0.46348175 0.48432097 0.28593822
0.23890756 0.32287780 0.04573955
0.27882395 0.48570494 0.91561823
0.56983313 0.04508497 -0.00150811
0.40964048 0.91480139 -0.03227504
0.60155631 0.57360799 0.97947043
0.76204660 0.70272610 0.01177916
0.46234322 0.30111059 0.37934623
0.35394624 0.22849097 0.41930335
0.35301230 0.39655253 0.39030614
0.45999717 0.16509079 0.23627385
0.34449929 0.13096805 0.14708882
0.36185383 0.07474417 0.28034816
0.85095313 0.75039330 0.82786556
0.57133692 0.86271163 0.75703089
0.50299620 0.69871918 0.63038237
0.84502258 0.90385745 0.62351387
0.86139559 0.16141676 0.84054571
0.04527145 0.14049134 0.94535450
0.21953214 0.69686783 0.03416344
0.74590659 0.93865390 0.02251743
0.87975174 0.26562741 0.20876401
0.40742385 0.66795622 0.95161253
0.23079902 0.95205561 0.03773251
0.04101938 0.59703951 -0.06196960
0.74646187 0.97876861 0.76922070
0.55407542 0.53467968 0.46361921
0.86508255 0.73512094 0.45514139
0.15622366 0.75520793 0.00163973
0.71332827 0.61520195 0.43697532
No title
1
13.009974 0.087175 -1.366251
0.185993 10.479977 0.291915
-1.370539 0.560894 13.072635
C H O N
43 30 7 2
Direct configuration= 497
0.74247440 0.52475156 0.37126363
0.75021431 0.39431518 0.40390793
0.79377285 0.30789578 0.34748898
0.77147148 0.56741433 0.27848763
0.81449288 0.48072276 0.22194450
0.82908192 0.35219236 0.25888275
-0.01234010 0.27327189 0.22198428
0.03918166 0.17796905 0.18069491
0.14768194 0.17862948 0.19143959
0.04515456 0.36879051 0.27428168
0.15303960 0.36875685 0.28288082
0.20722977 0.27426576 0.24234534
0.32642542 0.28081325 0.25314651
0.34895537 0.38847759 0.17616932
0.42182803 0.48218669 0.20527559
0.44364280 0.57597839 0.13253683
0.29770549 0.39266757 0.07085377
0.31887034 0.48435253 -0.00295555
0.39273421 0.57613766 0.02811686
0.49758538 0.73802474 -0.02837297
0.48724315 0.87021589 -0.02379826
0.57714827 0.94209201 -0.00567191
0.59607222 0.67729223 -0.01635867
0.68515562 0.75021693 0.00204981
0.67605970 0.88250737 0.00792341
0.37688581 0.30314648 0.36692499
0.37537131 0.15500416 0.22706725
0.15651995 0.88945801 0.99973513
0.06196913 0.70947201 -0.05127028
0.99423619 0.82648175 0.90975945
0.89295724 0.83564492 0.85176929
0.84741077 0.95927234 0.82625900
0.71066964 0.89098124 0.69677813
0.61414368 0.83623307 0.69833688
0.57641575 0.74471278 0.62837706
0.63760965 0.71021802 0.55908720
0.62429234 0.61005465 0.48312809
0.78185810 0.71093130 0.47838250
0.73207626 0.76903646 0.55694878
0.77054103 0.86053855 0.62425484
0.90097712 0.06796591 0.86069623
0.00343296 0.05625016 0.91901903
0.04997628 0.93411981 0.94199818
0.80401077 0.20666296 0.37344522
0.72539048 0.36126569 0.47496501
0.76307129 0.66857588 0.25233522
0.84054415 0.51291919 0.15122158
0.18564304 0.10277552 0.15849025
-0.00620427 0.10293244 0.14107782
0.00721707 0.44336553 0.30833961
0.19560810 0.44579402 0.32232084
0.50090932 0.64757410 0.15754866
0.46355397 0.48408854 0.28595815
0.23904294 0.32256979 0.04566630
0.27873149 0.48571586 0.91553785
0.56964917 0.04517816 -0.00121138
0.40945892 0.91467223 -0.03206634
0.60180073 0.57392897 0.97960429
0.76227819 0.70331980 0.01203747
0.46257081 0.30053793 0.37927091
0.35419642 0.22766788 0.41925341
0.35315267 0.39578953 0.39045275
0.46012714 0.16482148 0.23604483
0.34451237 0.13069746 0.14697717
0.36202945 0.07440972 0.28022518
0.85101206 0.75063640 0.82761688
0.57125962 0.86283533 0.75695451
0.50283704 0.69878106 0.63038149
0.84502520 0.90429656 0.62307316
0.86134498 0.16144974 0.84031153
0.04534872 0.14066783 0.94522990
0.21969273 0.69707580 0.03425209
0.74592588 0.93914359 0.02274026
0.87955652 0.26541817 0.20887344
0.40743446 0.66811268 0.95170413
0.23092274 0.95221795 0.03793005
0.04125297 0.59732532 -0.06199228
0.74648422 0.97895805 0.76890956
0.55386941 0.53493016 0.46359936
0.86497285 0.73545984 0.45473389
0.15632395 0.75545005 0.00183708
0.71326429 0.61544090 0.43683870
No title
1
13.003298 0.085933 -1.364752
0.185077 10.482729 0.293475
-1.368560 0.563115 13.071097
C H O N
43 30 7 2
Direct configuration= 498
0.74243031 0.52480399 0.37122687
0.75012983 0.39439828 0.40400784
0.79361459 0.30800891 0.34759879
0.77142576 0.56736199 0.27837837
0.81441130 0.48059494 0.22188034
0.82894104 0.35211562 0.25892365
-0.01237436 0.27310179 0.22207903
0.03905575 0.17774045 0.18088624
0.14766188 0.17837763 0.19158255
0.04511722 0.36858102 0.27426218
0.15307939 0.36857361 0.28284561
0.20722836 0.27404671 0.24237736
0.32653336 0.28053131 0.25311632
0.34898304 0.38825071 0.17616151
0.42180925 0.48206608 0.20530617
0.44360307 0.57596831 0.13255998
0.29773813 0.39255131 0.07085668
0.31887824 0.48427258 -0.00291559
0.39266290 0.57619503 0.02811032
0.49753018 0.73813043 -0.02832124
0.48719472 0.87027030 -0.02365576
0.57709810 0.94222033 -0.00549696
0.59615511 0.67754576 -0.01621826
0.68526574 0.75051264 0.00218226
0.67605488 0.88273187 0.00807736
0.37702234 0.30272732 0.36693046
0.37540290 0.15477878 0.22693535
0.15661016 0.88960338 0.99982169
0.06204262 0.70967384 -0.05125461
0.99427683 0.82662631 0.90978133
0.89302194 0.83579075 0.85173409
0.84740448 0.95931030 0.82617383
0.71068670 0.89111823 0.69663357
0.61409692 0.83632166 0.69825916
0.57637264 0.74476476 0.62831485
0.63754243 0.71034587 0.55896965
0.62422833 0.61018315 0.48308954
0.78188893 0.71111395 0.47817349
0.73204280 0.76925007 0.55674918
0.77055188 0.86074623 0.62404889
0.90097833 0.06799213 0.86065630
0.00346952 0.05628799 0.91898218
0.05005535 0.93420861 0.94207668
0.80386062 0.20680712 0.37362799
0.72535546 0.36147401 0.47507357
0.76310385 0.66850392 0.25213953
0.84046198 0.51270742 0.15108563
0.18563993 0.10242690 0.15875202
-0.00635253 0.10266113 0.14140665
0.00720300 0.44325789 0.30825777
0.19568631 0.44560867 0.32219515
0.50083332 0.64761321 0.15758761
0.46359947 0.48394222 0.28597073
0.23912826 0.32237591 0.04562019
0.27867321 0.48572275 0.91548721
0.56953318 0.04523673 -0.00102446
0.40934444 0.91459084 -0.03193485
0.60195480 0.57413104 0.97968857
0.76242417 0.70369354 0.01220011
0.46271423 0.30017746 0.37922351
0.35435407 0.22714974 0.41922203
0.35324108 0.39530916 0.39054517
0.46020907 0.16465200 0.23590058
0.34452061 0.13052713 0.14690687
0.36214014 0.07419922 0.28014773
0.85104926 0.75078950 0.82746019
0.57121091 0.86291321 0.75690639
0.50273673 0.69882000 0.63038094
0.84502694 0.90457311 0.62279549
0.86131311 0.16147054 0.84016401
0.04539745 0.14077898 0.94515139
0.21979395 0.69720672 0.03430789
0.74593804 0.93945184 0.02288058
0.87943343 0.26528640 0.20894241
0.40744115 0.66821116 0.95176182
0.23100072 0.95232011 0.03805446
0.04140022 0.59750529 -0.06200661
0.74649835 0.97907739 0.76871354
0.55373957 0.53508783 0.46358684
0.86490377 0.73567327 0.45447717
0.15638716 0.75560245 0.00196136
0.71322400 0.61559135 0.43675263
No title
1
12.994442 0.084278 -1.362479
0.183872 10.486614 0.295665
-1.365694 0.566230 13.068628
C H O N
43 30 7 2
Direct configuration= 499
0.74234557 0.52482724 0.37117267
0.75002635 0.39459996 0.40410905
0.79338884 0.30812412 0.34776583
0.77136450 0.56728689 0.27826904
0.81430261 0.48042500 0.22175267
0.82877820 0.35200559 0.25895365
-0.01244915 0.27286982 0.22221619
0.03891781 0.17738119 0.18113293
0.14763116 0.17805722 0.19178198
0.04507957 0.36834150 0.27425959
0.15316608 0.36829957 0.28277536
0.20724976 0.27373006 0.24242771
0.32661911 0.28010849 0.25309059
0.34904683 0.38798441 0.17614098
0.42178689 0.48191992 0.20531059
0.44355457 0.57591434 0.13263429
0.29775256 0.39233774 0.07084492
0.31886793 0.48416428 -0.00292332
0.39259416 0.57627174 0.02815517
0.49754915 0.73835010 -0.02820294
0.48708746 0.87032958 -0.02346860
0.57701378 0.94238079 -0.00527712
0.59625445 0.67785434 -0.01604473
0.68540552 0.75090499 0.00237362
0.67610568 0.88308499 0.00828991
0.37719763 0.30215856 0.36694345
0.37546095 0.15446785 0.22676253
0.15670332 0.88977094 0.99993985
0.06213233 0.70987769 -0.05122610
0.99435021 0.82684581 0.90983741
0.89309997 0.83596596 0.85170510
0.84741027 0.95939190 0.82602874
0.71066178 0.89128105 0.69644099
0.61405177 0.83642096 0.69813110
0.57631336 0.74481774 0.62823639
0.63746405 0.71057005 0.55882084
0.62412783 0.61032515 0.48305517
0.78178184 0.71134174 0.47793949
0.73202343 0.76953770 0.55644901
0.77053503 0.86101541 0.62374748
0.90098055 0.06804511 0.86059611
0.00356024 0.05634352 0.91893223
0.05016190 0.93432975 0.94219280
0.80365988 0.20699414 0.37388180
0.72529517 0.36175046 0.47525718
0.76314373 0.66841051 0.25187042
0.84034721 0.51240577 0.15091978
0.18563693 0.10193638 0.15911074
-0.00654201 0.10231080 0.14187664
0.00716120 0.44311738 0.30814667
0.19578893 0.44536350 0.32203018
0.50069389 0.64765068 0.15763135
0.46364755 0.48374498 0.28598624
0.23925648 0.32212817 0.04555626
0.27860946 0.48573916 0.91546888
0.56936728 0.04534667 -0.00076549
0.40921230 0.91447517 -0.03174215
0.60217726 0.57444802 0.97981575
0.76261358 0.70420652 0.01240863
0.46292253 0.29966593 0.37916249
0.35458578 0.22645692 0.41916060
0.35337666 0.39461879 0.39067725
0.46034111 0.16441071 0.23571161
0.34451595 0.13029884 0.14678801
0.36227460 0.07391160 0.28004237
0.85110289 0.75099199 0.82724356
0.57114679 0.86303262 0.75682686
0.50259625 0.69889130 0.63038714
0.84506824 0.90496148 0.62240151
0.86127243 0.16150498 0.83995611
0.04546212 0.14091928 0.94503386
0.21993316 0.69739819 0.03437507
0.74591892 0.93984275 0.02307265
0.87921994 0.26515875 0.20905539
0.40741759 0.66832714 0.95181064
0.23111355 0.95245800 0.03821713
0.04161604 0.59780074 -0.06202767
0.74649724 0.97925830 0.76846183
0.55358532 0.53532438 0.46356085
0.86494594 0.73600755 0.45407038
0.15646807 0.75580180 0.00211101
0.71314057 0.61579095 0.43663291
No title
1
12.985818 0.082666 -1.360265
0.182698 10.490396 0.297797
-1.362904 0.569264 13.066224
C H O N
43 30 7 2
Direct configuration= 500
0.74226302 0.52484987 0.37111990
0.74992552 0.39479622 0.40420760
0.79316886 0.30823618 0.34792852
0.77130482 0.56721382 0.27816257
0.81419672 0.48025961 0.22162837
0.82861952 0.35189846 0.25898289
-0.01252208 0.27264397 0.22234982
0.03878334 0.17703140 0.18137324
0.14760117 0.17774529 0.19197625
0.04504286 0.36810837 0.27425710
0.15325054 0.36803287 0.28270697
0.20727057 0.27342183 0.24247679
0.32670262 0.27969695 0.25306559
0.34910897 0.38772521 0.17612102
0.42176509 0.48177765 0.20531492
0.44350730 0.57586179 0.13270667
0.29776659 0.39212987 0.07083350
0.31885788 0.48405886 -0.00293083
0.39252717 0.57634639 0.02819883
0.49756763 0.73856390 -0.02808777
0.48698291 0.87038720 -0.02328634
0.57693159 0.94253689 -0.00506304
0.59635124 0.67815466 -0.01587578
0.68554172 0.75128685 0.00255992
0.67615517 0.88342865 0.00849685
0.37736839 0.30160498 0.36695615
0.37551751 0.15416526 0.22659426
0.15679407 0.88993402 0.00005490
0.06221975 0.71007613 -0.05119838
0.99442172 0.82705946 0.90989199
0.89317603 0.83613652 0.85167682
0.84741595 0.95947137 0.82588742
0.71063755 0.89143959 0.69625342
0.61400780 0.83651765 0.69800636
0.57625563 0.74486932 0.62815998
0.63738772 0.71078829 0.55867590
0.62402993 0.61046336 0.48302168
0.78167755 0.71156352 0.47771157
0.73200464 0.76981775 0.55615663
0.77051869 0.86127751 0.62345390
0.90098273 0.06809670 0.86053749
0.00364864 0.05639761 0.91888357
0.05026571 0.93444764 0.94230586
0.80346425 0.20717606 0.37412898
0.72523641 0.36201949 0.47543596
0.76318264 0.66831966 0.25160834
0.84023538 0.51211218 0.15075832
0.18563390 0.10145883 0.15946017
-0.00672674 0.10196963 0.14233443
0.00712047 0.44298064 0.30803850
0.19588893 0.44512494 0.32186953
0.50055802 0.64768712 0.15767395
0.46369438 0.48355300 0.28600137
0.23938140 0.32188707 0.04549403
0.27854734 0.48575512 0.91545104
0.56920560 0.04545358 -0.00051328
0.40908350 0.91436251 -0.03155446
0.60239403 0.57475655 0.97993954
0.76279815 0.70470580 0.01261162
0.46312546 0.29916807 0.37910312
0.35481150 0.22578260 0.41910086
0.35350868 0.39394679 0.39080596
0.46046978 0.16417593 0.23552760
0.34451142 0.13007667 0.14667228
0.36240561 0.07363170 0.27993979
0.85115520 0.75118916 0.82703255
0.57108433 0.86314885 0.75674940
0.50245937 0.69896068 0.63039318
0.84510858 0.90533962 0.62201776
0.86123284 0.16153855 0.83975363
0.04552516 0.14105589 0.94491937
0.22006881 0.69758456 0.03444045
0.74590028 0.94022320 0.02325966
0.87901188 0.26503443 0.20916547
0.40739464 0.66844000 0.95185817
0.23122346 0.95259219 0.03837553
0.04182635 0.59808836 -0.06204824
0.74649621 0.97943447 0.76821666
0.55343504 0.53555461 0.46353553
0.86498713 0.73633307 0.45367416
0.15654688 0.75599581 0.00225672
0.71305931 0.61598525 0.43651631
No title
1
12.976239 0.080703 -1.357444
0.181265 10.494659 0.300186
-1.359489 0.572684 13.063160
C H O N
43 30 7 2
Direct configuration= 501
0.74214532 0.52497971 0.37106266
0.74981417 0.39503958 0.40431106
0.79297998 0.30829627 0.34804463
0.77126146 0.56713104 0.27804318
0.81405956 0.48009673 0.22151870
0.82844967 0.35183081 0.25902354
-0.01268477 0.27238493 0.22247900
0.03875915 0.17667797 0.18163900
0.14752210 0.17736110 0.19215950
0.04507828 0.36795578 0.27429231
0.15328612 0.36776863 0.28263261
0.20735658 0.27304416 0.24252314
0.32673281 0.27927343 0.25305134
0.34920480 0.38749984 0.17611752
0.42175799 0.48160906 0.20531805
0.44343888 0.57578994 0.13277769
0.29779296 0.39190095 0.07078661
0.31884712 0.48401963 -0.00299719
0.39246883 0.57634396 0.02829235
0.49767175 0.73876772 -0.02790650
0.48689816 0.87048157 -0.02310012
0.57683051 0.94268487 -0.00486311
0.59648238 0.67841617 -0.01572489
0.68562340 0.75168850 0.00276538
0.67619950 0.88378023 0.00869602
0.37752275 0.30103977 0.36694920
0.37563415 0.15388732 0.22648444
0.15687016 0.89002231 0.00019518
0.06233311 0.71032495 -0.05114067
0.99451602 0.82724810 0.90998188
0.89318044 0.83624528 0.85161809
0.84745442 0.95964322 0.82573374
0.71056892 0.89156698 0.69603105
0.61396397 0.83658843 0.69787158
0.57616597 0.74494340 0.62811430
0.63734550 0.71105459 0.55854351
0.62394535 0.61064616 0.48300096
0.78167083 0.71182877 0.47741200
0.73196130 0.77010319 0.55587093
0.77049717 0.86155418 0.62312878
0.90099936 0.06817355 0.86045416
0.00375877 0.05652974 0.91884032
0.05033848 0.93460658 0.94240138
0.80326157 0.20733823 0.37440151
0.72515792 0.36229684 0.47566473
0.76321492 0.66819124 0.25135452
0.84012472 0.51180521 0.15059247
0.18561710 0.10098460 0.15983468
-0.00692471 0.10159302 0.14280728
0.00705840 0.44283408 0.30792340
0.19599301 0.44488652 0.32170861
0.50038955 0.64771204 0.15772258
0.46371400 0.48335126 0.28600617
0.23949297 0.32161999 0.04541948
0.27850719 0.48577338 0.91549789
0.56902696 0.04559474 -0.00024743
0.40892978 0.91427272 -0.03134799
0.60262318 0.57516894 0.98008553
0.76300025 0.70521350 0.01280796
0.46336621 0.29863044 0.37904584
0.35505921 0.22508516 0.41903330
0.35366390 0.39320090 0.39094398
0.46060843 0.16391461 0.23533593
0.34447393 0.12983836 0.14648410
0.36251769 0.07332666 0.27983341
0.85124218 0.75141729 0.82683241
0.57103249 0.86327022 0.75663436
0.50234094 0.69906006 0.63040474
0.84515315 0.90571807 0.62160463
0.86121522 0.16155276 0.83955028
0.04557948 0.14114600 0.94478294
0.22020176 0.69780838 0.03449572
0.74588718 0.94062166 0.02346600
0.87878664 0.26492847 0.20929772
0.40733811 0.66853825 0.95188232
0.23136407 0.95274154 0.03853551
0.04202202 0.59832270 -0.06209442
0.74648084 0.97961318 0.76798604
0.55326502 0.53576221 0.46349915
0.86494060 0.73664205 0.45326933
0.15665056 0.75619178 0.00239104
0.71296650 0.61612587 0.43637810
No title
1
12.967006 0.078811 -1.354725
0.179884 10.498768 0.302488
-1.356197 0.575980 13.060207
C H O N
43 30 7 2
Direct configuration= 502
0.74203183 0.52510481 0.37100748
0.74970677 0.39527399 0.40441077
0.79279777 0.30835410 0.34815657
0.77121966 0.56705133 0.27792810
0.81392728 0.47993982 0.22141301
0.82828582 0.35176559 0.25906276
-0.01284175 0.27213529 0.22260360
0.03873572 0.17633736 0.18189527
0.14744576 0.17699088 0.19233624
0.04511242 0.36780877 0.27432626
0.15332044 0.36751408 0.28256096
0.20743950 0.27268030 0.24256787
0.32676189 0.27886540 0.25303765
0.34929721 0.38728272 0.17611418
0.42175113 0.48144662 0.20532109
0.44337287 0.57572068 0.13284618
0.29781838 0.39168041 0.07074144
0.31883676 0.48398186 -0.00306116
0.39241253 0.57634159 0.02838251
0.49777215 0.73896405 -0.02773179
0.48681638 0.87057241 -0.02292060
0.57673297 0.94282736 -0.00467038
0.59660886 0.67866810 -0.01557948
0.68570219 0.75207542 0.00296338
0.67624225 0.88411890 0.00888796
0.37767159 0.30049525 0.36694257
0.37574665 0.15361960 0.22637860
0.15694353 0.89010735 0.00033038
0.06244245 0.71056469 -0.05108509
0.99460697 0.82742984 0.91006850
0.89318471 0.83635008 0.85156146
0.84749159 0.95980885 0.82558554
0.71050278 0.89168977 0.69581666
0.61392172 0.83665666 0.69774163
0.57607951 0.74501478 0.62807026
0.63730482 0.71131120 0.55841585
0.62386380 0.61082226 0.48298097
0.78166445 0.71208441 0.47712315
0.73191958 0.77037827 0.55559545
0.77047652 0.86182084 0.62281530
0.90101542 0.06824762 0.86037382
0.00386501 0.05665708 0.91879860
0.05040867 0.93475971 0.94249342
0.80306604 0.20749435 0.37466425
0.72508219 0.36256396 0.47588523
0.76324610 0.66806760 0.25110984
0.84001800 0.51150948 0.15043264
0.18560077 0.10052758 0.16019581
-0.00711580 0.10122998 0.14326322
0.00699854 0.44269289 0.30781246
0.19609340 0.44465688 0.32155349
0.50022704 0.64773600 0.15776949
0.46373291 0.48315689 0.28601083
0.23960057 0.32136272 0.04534765
0.27846846 0.48579096 0.91554306
0.56885460 0.04573063 0.00000886
0.40878145 0.91418611 -0.03114890
0.60284422 0.57556626 0.98022617
0.76319520 0.70570262 0.01299714
0.46359839 0.29811252 0.37899068
0.35529808 0.22441327 0.41896825
0.35381350 0.39248224 0.39107714
0.46074218 0.16366292 0.23515116
0.34443779 0.12960881 0.14630273
0.36262580 0.07303283 0.27973089
0.85132614 0.75163717 0.82663942
0.57098252 0.86338719 0.75652344
0.50222672 0.69915579 0.63041588
0.84519628 0.90608284 0.62120627
0.86119826 0.16156652 0.83935424
0.04563192 0.14123288 0.94465138
0.22033001 0.69802402 0.03454895
0.74587454 0.94100549 0.02366485
0.87856935 0.26482629 0.20942526
0.40728359 0.66863289 0.95190559
0.23149967 0.95288541 0.03868970
0.04221079 0.59854852 -0.06213900
0.74646609 0.97978544 0.76776367
0.55310105 0.53596220 0.46346407
0.86489585 0.73693987 0.45287901
0.15675054 0.75638057 0.00252050
0.71287703 0.61626137 0.43624485
No title
1
12.956068 0.076460 -1.351244
0.178159 10.503428 0.305141
-1.352118 0.579811 13.055965
C H O N
43 30 7 2
Direct configuration= 503
0.74188609 0.52534143 0.37094064
0.74957884 0.39546210 0.40453441
0.79260758 0.30846026 0.34826869
0.77118216 0.56698885 0.27774914
0.81374755 0.47978164 0.22133185
0.82806628 0.35174657 0.25913974
-0.01297342 0.27188591 0.22277201
0.03861232 0.17599910 0.18221003
0.14746762 0.17651966 0.19256575
0.04508012 0.36759059 0.27431918
0.15339317 0.36723110 0.28249392
0.20747914 0.27221223 0.24260617
0.32684387 0.27845387 0.25301530
0.34936321 0.38699298 0.17608873
0.42178007 0.48121152 0.20538092
0.44328133 0.57566400 0.13289728
0.29793124 0.39151158 0.07065365
0.31885557 0.48394842 -0.00302889
0.39233807 0.57628498 0.02842273
0.49782865 0.73907464 -0.02751026
0.48676681 0.87069114 -0.02271137
0.57664843 0.94306943 -0.00445602
0.59678795 0.67900551 -0.01542340
0.68581642 0.75252173 0.00320697
0.67619911 0.88443912 0.00908363
0.37786215 0.29985133 0.36690974
0.37586458 0.15333081 0.22625356
0.15710437 0.89024985 0.00054735
0.06257513 0.71078792 -0.05100462
0.99460791 0.82758340 0.91013563
0.89321251 0.83655801 0.85150164
0.84754209 0.95996848 0.82541100
0.71048399 0.89184925 0.69553728
0.61383089 0.83671152 0.69762273
0.57598976 0.74514331 0.62802592
0.63723441 0.71157528 0.55828939
0.62375565 0.61103879 0.48292449
0.78164679 0.71237471 0.47674542
0.73187382 0.77070720 0.55529706
0.77046978 0.86215921 0.62245698
0.90110295 0.06838535 0.86026535
0.00392668 0.05682080 0.91872910
0.05045897 0.93497136 0.94257238
0.80284155 0.20762553 0.37498887
0.72498495 0.36289451 0.47615079
0.76327226 0.66787355 0.25085169
0.83990164 0.51117380 0.15024352
0.18556110 0.10002138 0.16061674
-0.00732058 0.10079226 0.14378580
0.00691898 0.44254594 0.30769371
0.19620695 0.44438430 0.32136980
0.50002529 0.64775828 0.15784097
0.46372293 0.48292626 0.28601354
0.23968306 0.32102158 0.04524931
0.27841561 0.48582208 0.91557362
0.56864656 0.04587170 0.00030375
0.40856691 0.91412669 -0.03090930
0.60310337 0.57604612 0.98040250
0.76340479 0.70627419 0.01319864
0.46387396 0.29750023 0.37891910
0.35557601 0.22362284 0.41890855
0.35399403 0.39163402 0.39124211
0.46092109 0.16336121 0.23493779
0.34439467 0.12935611 0.14608988
0.36272814 0.07267567 0.27961331
0.85142646 0.75185515 0.82642695
0.57093710 0.86351430 0.75636061
0.50210483 0.69927556 0.63043404
0.84520425 0.90646424 0.62073584
0.86120919 0.16156509 0.83914101
0.04571389 0.14132904 0.94450367
0.22049112 0.69829145 0.03461045
0.74590931 0.94148033 0.02391591
0.87834777 0.26467833 0.20956017
0.40726840 0.66874704 0.95197593
0.23161050 0.95298210 0.03882612
0.04240539 0.59883132 -0.06221191
0.74643227 0.97994522 0.76751125
0.55292401 0.53620167 0.46344838
0.86483517 0.73727167 0.45240467
0.15688916 0.75660171 0.00265472
0.71280362 0.61642467 0.43610342
No title
1
12.947995 0.074725 -1.348675
0.176886 10.506867 0.307100
-1.349108 0.582639 13.052833
C H O N
43 30 7 2
Direct configuration= 504
0.74177847 0.52551599 0.37089128
0.74948433 0.39560083 0.40462569
0.79246708 0.30853852 0.34835147
0.77115448 0.56694280 0.27761702
0.81361479 0.47966492 0.22127197
0.82790410 0.35173249 0.25919661
-0.01307074 0.27170186 0.22289640
0.03852108 0.17574944 0.18244248
0.14748368 0.17617194 0.19273526
0.04505625 0.36742962 0.27431398
0.15344688 0.36702236 0.28244445
0.20750837 0.27186690 0.24263451
0.32690439 0.27815027 0.25299884
0.34941194 0.38677923 0.17606996
0.42180141 0.48103805 0.20542513
0.44321370 0.57562215 0.13293503
0.29801460 0.39138707 0.07058884
0.31886945 0.48392374 -0.00300506
0.39228305 0.57624319 0.02845244
0.49787035 0.73915618 -0.02734672
0.48673015 0.87077867 -0.02255691
0.57658596 0.94324794 -0.00429778
0.59692024 0.67925442 -0.01530824
0.68590079 0.75285095 0.00338674
0.67616723 0.88467531 0.00922806
0.37800287 0.29937632 0.36688556
0.37595170 0.15311781 0.22616126
0.15722315 0.89035494 0.00070749
0.06267314 0.71095261 -0.05094526
0.99460860 0.82769667 0.91018517
0.89323307 0.83671144 0.85145744
0.84757945 0.96008630 0.82528211
0.71047018 0.89196699 0.69533099
0.61376382 0.83675200 0.69753495
0.57592349 0.74523813 0.62799318
0.63718245 0.71177014 0.55819599
0.62367578 0.61119853 0.48288279
0.78163385 0.71258897 0.47646650
0.73184010 0.77094994 0.55507671
0.77046491 0.86240895 0.62219239
0.90116765 0.06848700 0.86018524
0.00397227 0.05694162 0.91867775
0.05049613 0.93512750 0.94263064
0.80267566 0.20772218 0.37522856
0.72491309 0.36313828 0.47634683
0.76329162 0.66773046 0.25066111
0.83981570 0.51092618 0.15010396
0.18553166 0.09964780 0.16092760
-0.00747198 0.10046915 0.14417172
0.00686022 0.44243755 0.30760607
0.19629085 0.44418327 0.32123420
0.49987624 0.64777466 0.15789377
0.46371553 0.48275610 0.28601558
0.23974398 0.32076994 0.04517674
0.27837657 0.48584502 0.91559618
0.56849284 0.04597565 0.00052148
0.40840838 0.91408275 -0.03073236
0.60329481 0.57640013 0.98053259
0.76355963 0.70669586 0.01334731
0.46407748 0.29704857 0.37886629
0.35578125 0.22303976 0.41886454
0.35412727 0.39100822 0.39136400
0.46105327 0.16313871 0.23478027
0.34436284 0.12916974 0.14593276
0.36280374 0.07241223 0.27952654
0.85150064 0.75201605 0.82627004
0.57090359 0.86360812 0.75624039
0.50201480 0.69936390 0.63044744
0.84521027 0.90674576 0.62038846
0.86121731 0.16156410 0.83898357
0.04577448 0.14140005 0.94439458
0.22061015 0.69848876 0.03465581
0.74593498 0.94183058 0.02410119
0.87818405 0.26456909 0.20965982
0.40725718 0.66883124 0.95202785
0.23169234 0.95305342 0.03892681
0.04254918 0.59904001 -0.06226581
0.74640736 0.98006317 0.76732487
0.55279325 0.53637831 0.46343679
0.86479048 0.73751658 0.45205443
0.15699155 0.75676484 0.00275377
0.71274944 0.61654518 0.43599899
No title
1
12.938463 0.072702 -1.345266
0.175438 10.511039 0.309661
-1.345238 0.586299 13.048535
C H O N
43 30 7 2
Direct configuration= 505
0.74168255 0.52560405 0.37081628
0.74934814 0.39577670 0.40472015
0.79227852 0.30864311 0.34855614
0.77107886 0.56694007 0.27747968
0.81347043 0.47955406 0.22116272
0.82771047 0.35170831 0.25924683
-0.01311945 0.27151662 0.22306251
0.03833459 0.17545867 0.18274127
0.14749516 0.17575421 0.19300417
0.04495971 0.36719373 0.27426164
0.15350469 0.36672764 0.28238446
0.20748354 0.27148546 0.24268572
0.32707209 0.27783220 0.25293497
0.34944663 0.38647192 0.17602987
0.42182239 0.48078341 0.20546170
0.44310659 0.57555224 0.13297398
0.29812698 0.39116771 0.07054352
0.31887048 0.48389144 -0.00296468
0.39227871 0.57624271 0.02842489
0.49781900 0.73923071 -0.02715797
0.48666182 0.87083108 -0.02236824
0.57651213 0.94352803 -0.00411613
0.59705456 0.67963894 -0.01516892
0.68608404 0.75323607 0.00360829
0.67615948 0.88500203 0.00941718
0.37822796 0.29876643 0.36686277
0.37599619 0.15284569 0.22597875
0.15725130 0.89048017 0.00083739
0.06276125 0.71112247 -0.05088466
0.99459204 0.82786046 0.91025874
0.89325045 0.83697698 0.85137140
0.84761139 0.96022012 0.82512541
0.71049837 0.89215858 0.69509192
0.61373262 0.83683083 0.69743233
0.57583886 0.74539000 0.62793754
0.63709364 0.71193149 0.55807968
0.62355161 0.61141255 0.48278571
0.78146169 0.71282971 0.47615293
0.73180543 0.77123017 0.55480802
0.77046651 0.86273089 0.62186818
0.90124101 0.06860455 0.86000665
0.00400352 0.05704970 0.91862126
0.05050981 0.93522872 0.94268250
0.80247252 0.20783775 0.37552426
0.72482036 0.36346823 0.47657445
0.76330225 0.66756163 0.25042650
0.83970618 0.51061966 0.14995368
0.18550824 0.09914015 0.16127928
-0.00762920 0.10007321 0.14464617
0.00679174 0.44231177 0.30750447
0.19640413 0.44393050 0.32106142
0.49969662 0.64780836 0.15798489
0.46370150 0.48253466 0.28608233
0.23983491 0.32049444 0.04508844
0.27832499 0.48588929 0.91559529
0.56830215 0.04610171 0.00078426
0.40821064 0.91405167 -0.03050106
0.60354386 0.57678073 0.98070225
0.76372963 0.70723588 0.01351477
0.46432126 0.29648521 0.37878047
0.35602814 0.22230185 0.41883018
0.35429371 0.39024380 0.39153013
0.46124246 0.16285515 0.23458380
0.34435866 0.12897923 0.14580846
0.36287643 0.07208893 0.27941128
0.85158880 0.75218655 0.82609410
0.57083644 0.86372727 0.75610986
0.50190168 0.69946675 0.63046889
0.84518140 0.90705656 0.61995290
0.86125682 0.16158596 0.83880104
0.04589475 0.14152293 0.94428293
0.22080292 0.69872457 0.03473021
0.74595943 0.94223388 0.02433806
0.87800555 0.26442941 0.20977634
0.40730409 0.66891796 0.95216206
0.23190254 0.95317771 0.03909677
0.04270108 0.59931559 -0.06235153
0.74639144 0.98013646 0.76709491
0.55264769 0.53661437 0.46346489
0.86484780 0.73783204 0.45155121
0.15711959 0.75697637 0.00285604
0.71272736 0.61678327 0.43590613
No title
1
12.934788 0.071923 -1.343951
0.174880 10.512647 0.310649
-1.343746 0.587711 13.046877
C H O N
43 30 7 2
Direct configuration= 506
0.74164555 0.52563800 0.37078736
0.74929560 0.39584446 0.40475658
0.79220576 0.30868338 0.34863507
0.77104970 0.56693904 0.27742672
0.81341474 0.47951134 0.22112060
0.82763576 0.35169897 0.25926622
-0.01313827 0.27144521 0.22312658
0.03826260 0.17534655 0.18285653
0.14749955 0.17559317 0.19310790
0.04492246 0.36710282 0.27424148
0.15352699 0.36661407 0.28236134
0.20747393 0.27133845 0.24270550
0.32713678 0.27770964 0.25291035
0.34946001 0.38635349 0.17601443
0.42183047 0.48068527 0.20547582
0.44306526 0.57552528 0.13298901
0.29817033 0.39108318 0.07052605
0.31887087 0.48387898 -0.00294911
0.39227703 0.57624253 0.02841426
0.49779916 0.73925940 -0.02708518
0.48663544 0.87085125 -0.02229548
0.57648363 0.94363595 -0.00404608
0.59710638 0.67978712 -0.01511522
0.68615474 0.75338448 0.00369370
0.67615648 0.88512793 0.00949009
0.37831478 0.29853140 0.36685401
0.37601336 0.15274084 0.22590838
0.15726216 0.89052841 0.00088748
0.06279525 0.71118793 -0.05086131
0.99458565 0.82792358 0.91028710
0.89325718 0.83707933 0.85133820
0.84762374 0.96027172 0.82506496
0.71050927 0.89223245 0.69499971
0.61372060 0.83686122 0.69739274
0.57580622 0.74544853 0.62791607
0.63705939 0.71199368 0.55803481
0.62350372 0.61149503 0.48274827
0.78139531 0.71292252 0.47603200
0.73179209 0.77133820 0.55470438
0.77046717 0.86285500 0.62174312
0.90126933 0.06864989 0.85993777
0.00401559 0.05709136 0.91859947
0.05051508 0.93526772 0.94270249
0.80239412 0.20788224 0.37563831
0.72478457 0.36359535 0.47666222
0.76330637 0.66749659 0.25033603
0.83966393 0.51050154 0.14989575
0.18549915 0.09894446 0.16141495
-0.00768991 0.09992054 0.14482918
0.00676533 0.44226331 0.30746531
0.19644784 0.44383312 0.32099479
0.49962731 0.64782132 0.15802004
0.46369608 0.48244931 0.28610809
0.23986999 0.32038828 0.04505439
0.27830509 0.48590635 0.91559495
0.56822855 0.04615024 0.00088561
0.40813433 0.91403964 -0.03041184
0.60363995 0.57692741 0.98076764
0.76379522 0.70744399 0.01357930
0.46441531 0.29626812 0.37874739
0.35612337 0.22201749 0.41881697
0.35435788 0.38994919 0.39159424
0.46131546 0.16274591 0.23450803
0.34435706 0.12890582 0.14576054
0.36290448 0.07196435 0.27936684
0.85162283 0.75225229 0.82602623
0.57081054 0.86377320 0.75605952
0.50185804 0.69950638 0.63047717
0.84517032 0.90717640 0.61978490
0.86127208 0.16159441 0.83873064
0.04594117 0.14157032 0.94423986
0.22087730 0.69881545 0.03475888
0.74596886 0.94238928 0.02442938
0.87793666 0.26437555 0.20982130
0.40732218 0.66895137 0.95221382
0.23198363 0.95322561 0.03916230
0.04275971 0.59942181 -0.06238461
0.74638533 0.98016473 0.76700622
0.55259153 0.53670533 0.46347572
0.86486998 0.73795370 0.45135711
0.15716899 0.75705788 0.00289546
0.71271886 0.61687504 0.43587031
No title
1
12.925018 0.069883 -1.340388
0.173432 10.516691 0.313326
-1.339687 0.591501 13.042674
C H O N
43 30 7 2
Direct configuration= 507
0.74159099 0.52566329 0.37072057
0.74913299 0.39603234 0.40487090
0.79203037 0.30875732 0.34887822
0.77094849 0.56690318 0.27731931
0.81328854 0.47942069 0.22100731
0.82745934 0.35163884 0.25930829
-0.01322756 0.27125015 0.22325529
0.03815517 0.17503386 0.18314829
0.14738516 0.17517021 0.19338902
0.04487499 0.36694406 0.27421347
0.15350507 0.36632738 0.28231293
0.20749441 0.27103791 0.24278361
0.32730788 0.27739993 0.25282401
0.34952823 0.38605462 0.17599039
0.42182361 0.48042334 0.20547313
0.44296469 0.57543904 0.13303672
0.29824093 0.39077681 0.07050640
0.31885226 0.48386635 -0.00297490
0.39232069 0.57624509 0.02840285
0.49775478 0.73941347 -0.02691189
0.48652080 0.87088932 -0.02211527
0.57638195 0.94383102 -0.00388888
0.59720682 0.68014777 -0.01497264
0.68630858 0.75379953 0.00388404
0.67621840 0.88551215 0.00969333
0.37855070 0.29793699 0.36685133
0.37607281 0.15246968 0.22573047
0.15732768 0.89073628 0.00100790
0.06284859 0.71140009 -0.05082246
0.99458778 0.82809370 0.91037580
0.89324965 0.83728687 0.85121490
0.84762616 0.96042825 0.82490779
0.71053279 0.89242620 0.69479142
0.61376036 0.83698873 0.69728678
0.57571216 0.74560047 0.62784401
0.63698401 0.71211958 0.55792455
0.62338765 0.61175645 0.48265370
0.78140449 0.71322784 0.47568485
0.73172570 0.77157652 0.55445752
0.77044563 0.86312696 0.62141232
0.90130784 0.06873249 0.85969368
0.00407116 0.05716704 0.91856750
0.05050552 0.93531920 0.94275355
0.80219678 0.20801493 0.37592036
0.72469210 0.36394260 0.47686030
0.76329956 0.66740518 0.25009661
0.83956076 0.51021883 0.14975014
0.18548602 0.09842051 0.16172942
-0.00782708 0.09954703 0.14528398
0.00671063 0.44212712 0.30736152
0.19656159 0.44357373 0.32081660
0.49945216 0.64785395 0.15812866
0.46367602 0.48222049 0.28622568
0.23999144 0.32017686 0.04497529
0.27826041 0.48595996 0.91558518
0.56804329 0.04631309 0.00113222
0.40797346 0.91401112 -0.03017534
0.60388924 0.57727309 0.98093729
0.76399104 0.70795559 0.01373610
0.46466609 0.29572304 0.37864975
0.35635785 0.22129816 0.41878838
0.35452619 0.38921099 0.39176350
0.46147480 0.16245527 0.23430666
0.34437113 0.12874784 0.14566406
0.36295723 0.07167856 0.27923455
0.85171596 0.75244057 0.82588247
0.57071940 0.86389287 0.75596521
0.50174687 0.69960318 0.63050421
0.84514802 0.90746744 0.61935783
0.86132902 0.16166158 0.83855608
0.04608149 0.14168632 0.94414733
0.22109445 0.69905068 0.03484378
0.74597433 0.94274223 0.02466171
0.87777894 0.26427251 0.20994565
0.40736713 0.66901291 0.95235121
0.23214636 0.95328518 0.03930089
0.04287465 0.59964552 -0.06248365
0.74640389 0.98020177 0.76680033
0.55244163 0.53691109 0.46352228
0.86476300 0.73819414 0.45089468
0.15727651 0.75725110 0.00297411
0.71270572 0.61710399 0.43577194
No title
1
12.920277 0.068894 -1.338660
0.172729 10.518653 0.314625
-1.337718 0.593340 13.040635
C H O N
43 30 7 2
Direct configuration= 508
0.74156451 0.52567557 0.37068816
0.74905404 0.39612342 0.40492637
0.79194520 0.30879312 0.34899623
0.77089936 0.56688580 0.27726720
0.81322729 0.47937674 0.22095235
0.82737368 0.35160965 0.25932874
-0.01327094 0.27115552 0.22331778
0.03810297 0.17488215 0.18328991
0.14732957 0.17496503 0.19352549
0.04485194 0.36686708 0.27419989
0.15349442 0.36618835 0.28228946
0.20750432 0.27089215 0.24282154
0.32739094 0.27724977 0.25278212
0.34956135 0.38590970 0.17597875
0.42182027 0.48029632 0.20547184
0.44291585 0.57539720 0.13305988
0.29827519 0.39062825 0.07049688
0.31884323 0.48386023 -0.00298742
0.39234188 0.57624634 0.02839730
0.49773321 0.73948815 -0.02682780
0.48646512 0.87090773 -0.02202781
0.57633257 0.94392558 -0.00381260
0.59725559 0.68032265 -0.01490349
0.68638326 0.75400080 0.00397636
0.67624845 0.88569846 0.00979192
0.37866521 0.29764875 0.36685007
0.37610168 0.15233822 0.22564415
0.15735948 0.89083708 0.00106631
0.06287450 0.71150299 -0.05080363
0.99458881 0.82817619 0.91041883
0.89324602 0.83738753 0.85115505
0.84762736 0.96050419 0.82483151
0.71054425 0.89252020 0.69469032
0.61377969 0.83705059 0.69723534
0.57566651 0.74567415 0.62780904
0.63694744 0.71218065 0.55787104
0.62333132 0.61188324 0.48260780
0.78140901 0.71337598 0.47551635
0.73169352 0.77169213 0.55433771
0.77043523 0.86325890 0.62125176
0.90132657 0.06877260 0.85957522
0.00409815 0.05720375 0.91855197
0.05050088 0.93534415 0.94277833
0.80210094 0.20807921 0.37605725
0.72464720 0.36411096 0.47695640
0.76329628 0.66736089 0.24998043
0.83951067 0.51008174 0.14967951
0.18547959 0.09816636 0.16188207
-0.00789376 0.09936579 0.14550473
0.00668408 0.44206109 0.30731117
0.19661683 0.44344798 0.32073013
0.49936711 0.64786973 0.15818139
0.46366626 0.48210950 0.28628278
0.24005041 0.32007436 0.04493691
0.27823872 0.48598595 0.91558044
0.56795333 0.04639201 0.00125190
0.40789533 0.91399724 -0.03006054
0.60401026 0.57744073 0.98101956
0.76408612 0.70820369 0.01381212
0.46478783 0.29545874 0.37860239
0.35647166 0.22094934 0.41877455
0.35460784 0.38885297 0.39184569
0.46155217 0.16231437 0.23420896
0.34437796 0.12867124 0.14561726
0.36298284 0.07153999 0.27917037
0.85176120 0.75253192 0.82581268
0.57067517 0.86395092 0.75591944
0.50169290 0.69965011 0.63051734
0.84513727 0.90760865 0.61915056
0.86135669 0.16169419 0.83847135
0.04614963 0.14174261 0.94410240
0.22119988 0.69916477 0.03488493
0.74597698 0.94291335 0.02477443
0.87770235 0.26422250 0.21000602
0.40738894 0.66904273 0.95241788
0.23222535 0.95331406 0.03936812
0.04293048 0.59975403 -0.06253174
0.74641294 0.98021978 0.76670041
0.55236885 0.53701086 0.46354487
0.86471114 0.73831082 0.45067026
0.15732871 0.75734480 0.00301226
0.71269936 0.61721504 0.43572418
No title
1
12.914603 0.067952 -1.336478
0.172108 10.521000 0.316371
-1.335222 0.595743 13.038341
C H O N
43 30 7 2
Direct configuration= 509
0.74153507 0.52575869 0.37071116
0.74894317 0.39620470 0.40502721
0.79186443 0.30884028 0.34909886
0.77084089 0.56681392 0.27716424
0.81314959 0.47928157 0.22093154
0.82725862 0.35155818 0.25939294
-0.01339048 0.27103078 0.22336569
0.03807232 0.17463298 0.18346292
0.14727155 0.17467101 0.19371176
0.04483701 0.36682145 0.27420360
0.15348066 0.36606519 0.28229161
0.20755911 0.27071575 0.24287050
0.32743990 0.27700485 0.25276060
0.34965124 0.38571460 0.17596942
0.42182971 0.48015928 0.20550189
0.44290107 0.57534933 0.13311631
0.29832005 0.39049793 0.07045426
0.31883906 0.48381891 -0.00301272
0.39235368 0.57616187 0.02844824
0.49779000 0.73966579 -0.02673069
0.48636440 0.87099008 -0.02191432
0.57625640 0.94395087 -0.00372023
0.59731707 0.68048764 -0.01479501
0.68639834 0.75432106 0.00405350
0.67627428 0.88592758 0.00991697
0.37879081 0.29729509 0.36686736
0.37620627 0.15218481 0.22560415
0.15743992 0.89095965 0.00112422
0.06288999 0.71162400 -0.05079925
0.99455802 0.82823892 0.91044314
0.89326633 0.83744052 0.85107836
0.84760888 0.96057578 0.82471330
0.71056023 0.89261797 0.69457210
0.61378496 0.83716490 0.69717890
0.57562204 0.74577885 0.62775859
0.63691371 0.71228145 0.55781236
0.62327856 0.61205012 0.48255557
0.78138202 0.71357386 0.47535003
0.73164445 0.77181597 0.55418975
0.77037966 0.86335291 0.62102842
0.90136389 0.06882493 0.85941537
0.00414697 0.05723576 0.91853100
0.05051598 0.93545448 0.94284963
0.80198112 0.20816832 0.37623534
0.72457486 0.36434355 0.47707685
0.76326897 0.66737960 0.24983092
0.83946103 0.50994794 0.14956036
0.18544156 0.09788321 0.16207493
-0.00796763 0.09915397 0.14577211
0.00666077 0.44197226 0.30724399
0.19667329 0.44325907 0.32060207
0.49924932 0.64786792 0.15826684
0.46361532 0.48195017 0.28634812
0.24012182 0.31995355 0.04488339
0.27820881 0.48603075 0.91554638
0.56783849 0.04650557 0.00138540
0.40782281 0.91398221 -0.02990739
0.60416024 0.57767249 0.98112613
0.76425587 0.70849137 0.01390529
0.46498324 0.29513291 0.37853528
0.35661197 0.22051796 0.41874859
0.35472583 0.38839621 0.39195002
0.46160013 0.16211469 0.23406850
0.34438399 0.12858666 0.14552067
0.36299534 0.07140803 0.27906315
0.85181124 0.75266942 0.82574814
0.57062165 0.86401674 0.75587671
0.50162061 0.69971245 0.63054431
0.84515365 0.90778629 0.61888329
0.86140705 0.16178824 0.83835625
0.04623661 0.14175815 0.94405445
0.22132535 0.69934183 0.03493168
0.74601360 0.94313720 0.02492821
0.87760194 0.26418728 0.21009015
0.40737929 0.66908632 0.95244921
0.23227607 0.95331871 0.03942437
0.04296830 0.59990161 -0.06260151
0.74643813 0.98027264 0.76659258
0.55227740 0.53712995 0.46358718
0.86468398 0.73846866 0.45035301
0.15738663 0.75745086 0.00304851
0.71266782 0.61726310 0.43560040
No title
1
12.911290 0.067402 -1.335204
0.171745 10.522370 0.317390
-1.333765 0.597146 13.037002
C H O N
43 30 7 2
Direct configuration= 510
0.74151787 0.52580721 0.37072459
0.74887839 0.39625213 0.40508610
0.79181724 0.30886779 0.34915880
0.77080674 0.56677197 0.27710412
0.81310420 0.47922602 0.22091940
0.82719141 0.35152812 0.25943045
-0.01346031 0.27095795 0.22339369
0.03805439 0.17448749 0.18356398
0.14723762 0.17449934 0.19382056
0.04482828 0.36679482 0.27420578
0.15347261 0.36599329 0.28229287
0.20759111 0.27061276 0.24289911
0.32746850 0.27686189 0.25274804
0.34970375 0.38560071 0.17596397
0.42183523 0.48007927 0.20551945
0.44289243 0.57532138 0.13314927
0.29834626 0.39042187 0.07042937
0.31883662 0.48379479 -0.00302749
0.39236057 0.57611255 0.02847799
0.49782317 0.73976947 -0.02667400
0.48630555 0.87103812 -0.02184805
0.57621189 0.94396562 -0.00366629
0.59735298 0.68058394 -0.01473168
0.68640714 0.75450800 0.00409852
0.67628936 0.88606132 0.00998998
0.37886416 0.29708864 0.36687747
0.37626737 0.15209527 0.22558079
0.15748691 0.89103119 0.00115803
0.06289904 0.71169464 -0.05079671
0.99454003 0.82827554 0.91045734
0.89327820 0.83747146 0.85103357
0.84759810 0.96061758 0.82464427
0.71056958 0.89267506 0.69450306
0.61378805 0.83723163 0.69714593
0.57559607 0.74583997 0.62772912
0.63689402 0.71234030 0.55777808
0.62324775 0.61214754 0.48252506
0.78136627 0.71368940 0.47525290
0.73161580 0.77188828 0.55410333
0.77034723 0.86340782 0.62089799
0.90138571 0.06885550 0.85932201
0.00417549 0.05725445 0.91851875
0.05052480 0.93551888 0.94289126
0.80191111 0.20822030 0.37633935
0.72453260 0.36447930 0.47714718
0.76325304 0.66739054 0.24974361
0.83943205 0.50986984 0.14949079
0.18541932 0.09771789 0.16218757
-0.00801081 0.09903027 0.14592827
0.00664717 0.44192040 0.30720476
0.19670629 0.44314881 0.32052729
0.49918050 0.64786684 0.15831674
0.46358556 0.48185714 0.28638629
0.24016354 0.31988304 0.04485214
0.27819135 0.48605691 0.91552649
0.56777140 0.04657184 0.00146337
0.40778044 0.91397341 -0.02981795
0.60424784 0.57780778 0.98118834
0.76435503 0.70865930 0.01395966
0.46509738 0.29494272 0.37849609
0.35669392 0.22026615 0.41873345
0.35479474 0.38812956 0.39201097
0.46162816 0.16199814 0.23398648
0.34438752 0.12853730 0.14546427
0.36300265 0.07133101 0.27900054
0.85184048 0.75274970 0.82571044
0.57059040 0.86405516 0.75585176
0.50157839 0.69974883 0.63056005
0.84516325 0.90789003 0.61872719
0.86143648 0.16184315 0.83828902
0.04628743 0.14176723 0.94402644
0.22139864 0.69944518 0.03495896
0.74603498 0.94326785 0.02501800
0.87754328 0.26416669 0.21013930
0.40737365 0.66911176 0.95246750
0.23230569 0.95332141 0.03945721
0.04299041 0.59998777 -0.06264226
0.74645286 0.98030352 0.76652960
0.55222398 0.53719947 0.46361188
0.86466816 0.73856085 0.45016773
0.15742046 0.75751277 0.00306967
0.71264942 0.61729117 0.43552811
No title
1
12.905756 0.066746 -1.332791
0.171384 10.524675 0.319317
-1.331058 0.599741 13.034520
C H O N
43 30 7 2
Direct configuration= 511
0.74150061 0.52587264 0.37075878
0.74878416 0.39635619 0.40515576
0.79172035 0.30893114 0.34927785
0.77072941 0.56676219 0.27697912
0.81303916 0.47909131 0.22087522
0.82707891 0.35148192 0.25952018
-0.01353645 0.27085148 0.22345002
0.03796010 0.17423952 0.18377780
0.14731070 0.17421901 0.19405747
0.04475598 0.36666989 0.27416749
0.15352317 0.36583599 0.28228944
0.20758894 0.27037096 0.24293877
0.32750253 0.27656298 0.25277934
0.34982671 0.38536993 0.17593559
0.42186398 0.47994669 0.20560081
0.44290108 0.57523688 0.13323092
0.29841973 0.39035091 0.07038212
0.31885019 0.48370802 -0.00305807
0.39236163 0.57599885 0.02855073
0.49786773 0.73991395 -0.02659497
0.48623608 0.87115567 -0.02172011
0.57612100 0.94409843 -0.00354355
0.59743749 0.68078825 -0.01459314
0.68647645 0.75478379 0.00416107
0.67627410 0.88630108 0.01011758
0.37900677 0.29669693 0.36689865
0.37634709 0.15194070 0.22552511
0.15748564 0.89103209 0.00114799
0.06292331 0.71181012 -0.05080401
0.99454092 0.82836833 0.91048311
0.89332281 0.83754807 0.85095754
0.84763163 0.96066100 0.82452014
0.71057984 0.89275570 0.69437717
0.61372245 0.83735619 0.69708382
0.57555192 0.74597816 0.62769724
0.63684940 0.71246610 0.55770390
0.62317203 0.61224228 0.48245349
0.78132051 0.71385017 0.47506666
0.73157627 0.77199307 0.55391497
0.77034035 0.86352558 0.62068225
0.90144102 0.06892300 0.85916097
0.00421336 0.05731768 0.91847087
0.05054997 0.93561963 0.94299559
0.80178320 0.20831819 0.37654219
0.72441998 0.36472632 0.47732130
0.76320450 0.66739646 0.24959350
0.83937491 0.50973999 0.14937311
0.18534371 0.09744822 0.16240757
-0.00809384 0.09878593 0.14619700
0.00661341 0.44186206 0.30714481
0.19677209 0.44295733 0.32039110
0.49905816 0.64786340 0.15843570
0.46348764 0.48166216 0.28644704
0.24022493 0.31974095 0.04478510
0.27815969 0.48612081 0.91546243
0.56764840 0.04661121 0.00158502
0.40767163 0.91398860 -0.02964803
0.60440572 0.57806357 0.98130667
0.76450162 0.70900824 0.01404737
0.46532344 0.29459341 0.37841255
0.35684600 0.21979496 0.41870248
0.35493699 0.38763698 0.39212924
0.46169389 0.16176693 0.23382705
0.34440911 0.12846621 0.14535455
0.36299875 0.07119744 0.27887860
0.85185876 0.75286749 0.82564581
0.57054566 0.86411817 0.75581352
0.50151088 0.69983510 0.63059939
0.84516173 0.90804918 0.61842323
0.86151695 0.16197221 0.83815025
0.04637631 0.14172143 0.94398090
0.22151370 0.69967427 0.03499656
0.74611052 0.94353376 0.02519836
0.87739956 0.26412804 0.21022347
0.40736472 0.66918001 0.95248021
0.23242826 0.95340128 0.03954490
0.04299708 0.60017211 -0.06272458
0.74645590 0.98040006 0.76639106
0.55215939 0.53737037 0.46368254
0.86465294 0.73875044 0.44981313
0.15746496 0.75762715 0.00308977
0.71257606 0.61738916 0.43542052
No title
1
12.903580 0.066488 -1.331842
0.171241 10.525582 0.320075
-1.329993 0.600762 13.033543
C H O N
43 30 7 2
Direct configuration= 512
0.74149382 0.52589836 0.37077223
0.74874707 0.39639710 0.40518317
0.79168221 0.30895605 0.34932469
0.77069900 0.56675835 0.27692995
0.81301356 0.47903833 0.22085785
0.82703463 0.35146373 0.25955549
-0.01356642 0.27080960 0.22347219
0.03792298 0.17414198 0.18386195
0.14733944 0.17410875 0.19415069
0.04472752 0.36662076 0.27415243
0.15354306 0.36577413 0.28228810
0.20758808 0.27027586 0.24295439
0.32751591 0.27644543 0.25279167
0.34987509 0.38527918 0.17592442
0.42187529 0.47989454 0.20563282
0.44290448 0.57520364 0.13326305
0.29844865 0.39032302 0.07036353
0.31885553 0.48367390 -0.00307010
0.39236204 0.57595413 0.02857936
0.49788526 0.73997076 -0.02656388
0.48620874 0.87120188 -0.02166978
0.57608522 0.94415064 -0.00349527
0.59747073 0.68086858 -0.01453865
0.68650371 0.75489223 0.00418565
0.67626809 0.88639536 0.01016777
0.37906289 0.29654289 0.36690700
0.37637846 0.15187992 0.22550321
0.15748515 0.89103245 0.00114404
0.06293286 0.71185554 -0.05080689
0.99454126 0.82840483 0.91049324
0.89334037 0.83757820 0.85092763
0.84764483 0.96067809 0.82447130
0.71058389 0.89278742 0.69432764
0.61369664 0.83740518 0.69705939
0.57553456 0.74603251 0.62768470
0.63683185 0.71251558 0.55767471
0.62314224 0.61227955 0.48242534
0.78130252 0.71391341 0.47499338
0.73156072 0.77203430 0.55384086
0.77033766 0.86357191 0.62059737
0.90146279 0.06894956 0.85909761
0.00422826 0.05734256 0.91845203
0.05055987 0.93565925 0.94303663
0.80173285 0.20835666 0.37662199
0.72437566 0.36482345 0.47738980
0.76318541 0.66739880 0.24953445
0.83935243 0.50968894 0.14932683
0.18531393 0.09734215 0.16249414
-0.00812654 0.09868982 0.14630273
0.00660013 0.44183912 0.30712122
0.19679799 0.44288204 0.32033752
0.49901001 0.64786203 0.15848251
0.46344910 0.48158548 0.28647095
0.24024910 0.31968508 0.04475872
0.27814724 0.48614595 0.91543722
0.56759999 0.04662669 0.00163289
0.40762880 0.91399456 -0.02958118
0.60446784 0.57816415 0.98135320
0.76455930 0.70914546 0.01408185
0.46541240 0.29445605 0.37837969
0.35690585 0.21960967 0.41869031
0.35499296 0.38744326 0.39217578
0.46171977 0.16167602 0.23376434
0.34441761 0.12843827 0.14531140
0.36299722 0.07114493 0.27883064
0.85186595 0.75291381 0.82562037
0.57052806 0.86414295 0.75579848
0.50148432 0.69986902 0.63061486
0.84516115 0.90811180 0.61830364
0.86154863 0.16202298 0.83809565
0.04641129 0.14170343 0.94396298
0.22155898 0.69976436 0.03501133
0.74614024 0.94363832 0.02526930
0.87734299 0.26411282 0.21025660
0.40736121 0.66920685 0.95248521
0.23247648 0.95343268 0.03957939
0.04299971 0.60024461 -0.06275698
0.74645711 0.98043804 0.76633655
0.55213397 0.53743757 0.46371033
0.86464698 0.73882503 0.44967361
0.15748248 0.75767213 0.00309767
0.71254720 0.61742770 0.43537819
No title
1
12.897474 0.065926 -1.329244
0.170961 10.527992 0.322085
-1.327081 0.603465 13.030622
C H O N
43 30 7 2
Direct configuration= 513
0.74149135 0.52595033 0.37072604
0.74866581 0.39652724 0.40526480
0.79155460 0.30900960 0.34949331
0.77061579 0.56678542 0.27683017
0.81294528 0.47896457 0.22077222
0.82694704 0.35142809 0.25962633
-0.01362014 0.27068374 0.22353089
0.03787882 0.17393324 0.18412702
0.14736129 0.17385346 0.19440285
0.04469757 0.36646047 0.27410270
0.15355516 0.36554281 0.28224119
0.20757910 0.27000754 0.24302199
0.32757571 0.27615698 0.25283790
0.35001071 0.38503310 0.17590713
0.42188050 0.47972963 0.20570604
0.44291506 0.57507078 0.13335358
0.29851018 0.39019487 0.07035294
0.31890454 0.48360823 -0.00313897
0.39237652 0.57591509 0.02861109
0.49785051 0.74005063 -0.02650750
0.48618447 0.87129802 -0.02153733
0.57601604 0.94438184 -0.00333481
0.59758777 0.68112493 -0.01438941
0.68664638 0.75511608 0.00425156
0.67626115 0.88664558 0.01029330
0.37924665 0.29612105 0.36692630
0.37637347 0.15171993 0.22537317
0.15759301 0.89109691 0.00118863
0.06296150 0.71199061 -0.05082771
0.99461042 0.82855938 0.91053864
0.89338732 0.83768734 0.85085094
0.84773372 0.96075009 0.82434145
0.71056897 0.89285290 0.69418657
0.61360230 0.83752792 0.69697325
0.57546641 0.74618093 0.62766867
0.63676642 0.71265382 0.55757521
0.62311563 0.61240102 0.48239519
0.78131433 0.71401913 0.47474068
0.73155038 0.77215932 0.55364201
0.77037488 0.86371128 0.62040797
0.90151707 0.06903875 0.85894421
0.00424807 0.05741211 0.91837565
0.05055460 0.93567126 0.94312332
0.80160171 0.20845952 0.37684339
0.72423392 0.36507617 0.47758623
0.76311746 0.66736166 0.24938887
0.83928213 0.50954344 0.14923981
0.18523929 0.09705351 0.16272557
-0.00822347 0.09840949 0.14656000
0.00655550 0.44180526 0.30706349
0.19689124 0.44273371 0.32021894
0.49890116 0.64787281 0.15863196
0.46333207 0.48136521 0.28657280
0.24032335 0.31955747 0.04469502
0.27812848 0.48622461 0.91536620
0.56746803 0.04663309 0.00174162
0.40747309 0.91404740 -0.02940276
0.60462510 0.57842416 0.98148009
0.76466015 0.70955678 0.01415697
0.46561923 0.29409249 0.37827825
0.35706995 0.21910624 0.41866898
0.35515268 0.38694329 0.39230783
0.46183497 0.16143058 0.23360344
0.34446314 0.12839242 0.14521857
0.36297970 0.07097464 0.27871917
0.85184923 0.75299649 0.82555537
0.57048236 0.86421109 0.75578325
0.50143883 0.69998918 0.63066380
0.84513732 0.90824020 0.61797346
0.86166672 0.16214523 0.83793472
0.04650592 0.14163132 0.94392738
0.22166129 0.70002981 0.03503786
0.74620251 0.94390936 0.02545853
0.87717554 0.26404813 0.21033322
0.40737833 0.66926879 0.95253416
0.23249051 0.95343157 0.03959635
0.04297616 0.60042723 -0.06284737
0.74645234 0.98054941 0.76616031
0.55200602 0.53755321 0.46377533
0.86454504 0.73901443 0.44932989
0.15751099 0.75777336 0.00309483
0.71246194 0.61761325 0.43531238
No title
1
12.895666 0.065759 -1.328475
0.170878 10.528706 0.322681
-1.326218 0.604266 13.029756
C H O N
43 30 7 2
Direct configuration= 514
0.74149062 0.52596572 0.37071236
0.74864173 0.39656576 0.40528898
0.79151679 0.30902544 0.34954326
0.77059114 0.56679344 0.27680062
0.81292505 0.47894273 0.22074686
0.82692108 0.35141753 0.25964732
-0.01363606 0.27064647 0.22354828
0.03786572 0.17387142 0.18420555
0.14736775 0.17377785 0.19447755
0.04468870 0.36641301 0.27408798
0.15355875 0.36547432 0.28222731
0.20757644 0.26992808 0.24304203
0.32759343 0.27607158 0.25285160
0.35005090 0.38496025 0.17590201
0.42188203 0.47968079 0.20572773
0.44291819 0.57503144 0.13338040
0.29852841 0.39015693 0.07034980
0.31891906 0.48358880 -0.00315938
0.39238081 0.57590353 0.02862050
0.49784021 0.74007428 -0.02649080
0.48617728 0.87132648 -0.02149810
0.57599553 0.94445027 -0.00328728
0.59762244 0.68120082 -0.01434522
0.68668865 0.75518235 0.00427107
0.67625908 0.88671966 0.01033048
0.37930109 0.29599615 0.36693203
0.37637200 0.15167257 0.22533466
0.15762497 0.89111600 0.00120183
0.06296998 0.71203060 -0.05083388
0.99463090 0.82860514 0.91055207
0.89340123 0.83771966 0.85082822
0.84776006 0.96077142 0.82430297
0.71056456 0.89287230 0.69414478
0.61357436 0.83756427 0.69694774
0.57544622 0.74622488 0.62766392
0.63674705 0.71269475 0.55754573
0.62310774 0.61243699 0.48238625
0.78131784 0.71405046 0.47466583
0.73154733 0.77219635 0.55358310
0.77038592 0.86375256 0.62035186
0.90153316 0.06906518 0.85889876
0.00425395 0.05743272 0.91835302
0.05055304 0.93567480 0.94314900
0.80156285 0.20848996 0.37690897
0.72419191 0.36515098 0.47764441
0.76309734 0.66735068 0.24934576
0.83926131 0.50950037 0.14921405
0.18521716 0.09696803 0.16279413
-0.00825221 0.09832647 0.14663622
0.00654228 0.44179524 0.30704640
0.19691888 0.44268981 0.32018381
0.49886890 0.64787598 0.15867623
0.46329739 0.48129999 0.28660299
0.24034536 0.31951969 0.04467615
0.27812293 0.48624791 0.91534516
0.56742893 0.04663498 0.00177383
0.40742695 0.91406302 -0.02934990
0.60467169 0.57850113 0.98151765
0.76469002 0.70967856 0.01417919
0.46568052 0.29398486 0.37824820
0.35711857 0.21895719 0.41866268
0.35519999 0.38679525 0.39234696
0.46186911 0.16135792 0.23355578
0.34447664 0.12837886 0.14519108
0.36297452 0.07092423 0.27868616
0.85184428 0.75302097 0.82553611
0.57046882 0.86423126 0.75577874
0.50142536 0.70002475 0.63067829
0.84513028 0.90827824 0.61787566
0.86170172 0.16218144 0.83788704
0.04653396 0.14160998 0.94391684
0.22169161 0.70010841 0.03504571
0.74622095 0.94398959 0.02551457
0.87712593 0.26402896 0.21035593
0.40738340 0.66928712 0.95254865
0.23249467 0.95343124 0.03960138
0.04296919 0.60048131 -0.06287416
0.74645094 0.98058240 0.76610811
0.55196810 0.53758744 0.46379458
0.86451485 0.73907054 0.44922807
0.15751944 0.75780334 0.00309398
0.71243669 0.61766820 0.43529288
No title
1
12.889874 0.065418 -1.325895
0.170780 10.531140 0.324673
-1.323371 0.606935 13.026593
C H O N
43 30 7 2
Direct configuration= 515
0.74145327 0.52607291 0.37062645
0.74856413 0.39669033 0.40544591
0.79139474 0.30908073 0.34969837
0.77054809 0.56678088 0.27671034
0.81282981 0.47894666 0.22069945
0.82684342 0.35142899 0.25969565
-0.01372796 0.27049670 0.22361126
0.03786503 0.17363730 0.18443602
0.14727069 0.17352670 0.19467804
0.04469372 0.36633395 0.27408136
0.15354227 0.36528788 0.28218155
0.20764297 0.26967854 0.24315361
0.32767967 0.27586456 0.25285265
0.35013467 0.38471765 0.17591827
0.42186299 0.47948365 0.20576892
0.44292340 0.57490983 0.13343967
0.29858031 0.38999034 0.07033960
0.31900897 0.48355589 -0.00321132
0.39241539 0.57592696 0.02861141
0.49780225 0.74017110 -0.02643198
0.48611517 0.87138444 -0.02138738
0.57599741 0.94454844 -0.00311755
0.59772733 0.68141617 -0.01423518
0.68677522 0.75548637 0.00434401
0.67631260 0.88693757 0.01043981
0.37948331 0.29559361 0.36695336
0.37636561 0.15151627 0.22520703
0.15764351 0.89114700 0.00122493
0.06300281 0.71215740 -0.05086192
0.99468456 0.82872192 0.91056737
0.89344012 0.83781851 0.85076276
0.84782566 0.96089086 0.82414888
0.71054236 0.89294876 0.69399930
0.61350718 0.83768862 0.69685781
0.57537531 0.74633866 0.62762586
0.63668763 0.71285836 0.55745600
0.62303510 0.61254063 0.48241264
0.78122097 0.71411273 0.47446748
0.73156665 0.77235891 0.55343426
0.77037825 0.86382710 0.62018545
0.90158429 0.06917114 0.85877299
0.00427693 0.05741412 0.91828172
0.05055053 0.93572881 0.94319691
0.80144193 0.20856996 0.37713057
0.72405202 0.36539940 0.47779225
0.76301326 0.66729783 0.24921253
0.83919645 0.50936341 0.14913686
0.18516765 0.09668586 0.16301519
-0.00831777 0.09809878 0.14688316
0.00651834 0.44173321 0.30696914
0.19700029 0.44255481 0.32007455
0.49877716 0.64788037 0.15883179
0.46318713 0.48108590 0.28675272
0.24042563 0.31942222 0.04463107
0.27812536 0.48632791 0.91528112
0.56729225 0.04675352 0.00186911
0.40729719 0.91411876 -0.02918158
0.60480971 0.57875120 0.98164088
0.76481427 0.71005380 0.01424077
0.46584336 0.29364383 0.37814370
0.35728703 0.21848238 0.41866016
0.35536290 0.38633515 0.39247449
0.46196997 0.16112541 0.23341238
0.34451261 0.12835453 0.14507963
0.36294650 0.07072580 0.27859385
0.85181992 0.75310058 0.82549118
0.57042010 0.86430292 0.75579426
0.50138599 0.70015473 0.63073170
0.84513164 0.90838799 0.61756613
0.86183781 0.16226987 0.83771415
0.04663098 0.14155666 0.94390058
0.22177968 0.70034210 0.03506283
0.74622708 0.94421298 0.02568022
0.87700308 0.26392726 0.21041618
0.40740959 0.66932162 0.95263185
0.23254171 0.95345268 0.03961304
0.04292314 0.60065339 -0.06295988
0.74647437 0.98066641 0.76592409
0.55185981 0.53768649 0.46385605
0.86448710 0.73926386 0.44888128
0.15756669 0.75787558 0.00308434
0.71239805 0.61779502 0.43518300
No title
1
12.886929 0.065245 -1.324583
0.170731 10.532378 0.325687
-1.321923 0.608292 13.024985
C H O N
43 30 7 2
Direct configuration= 516
0.74143428 0.52612741 0.37058275
0.74852465 0.39675363 0.40552571
0.79133264 0.30910881 0.34977726
0.77052620 0.56677451 0.27666443
0.81278137 0.47894865 0.22067534
0.82680391 0.35143481 0.25972023
-0.01377471 0.27042056 0.22364330
0.03786466 0.17351826 0.18455325
0.14722131 0.17339901 0.19478002
0.04469627 0.36629376 0.27407799
0.15353389 0.36519311 0.28215830
0.20767680 0.26955167 0.24321037
0.32772353 0.27575932 0.25285319
0.35017728 0.38459433 0.17592655
0.42185330 0.47938343 0.20578988
0.44292605 0.57484800 0.13346982
0.29860672 0.38990566 0.07033442
0.31905470 0.48353917 -0.00323774
0.39243299 0.57593887 0.02860678
0.49778294 0.74022032 -0.02640207
0.48608357 0.87141388 -0.02133106
0.57599836 0.94459832 -0.00303124
0.59778067 0.68152562 -0.01417924
0.68681925 0.75564089 0.00438108
0.67633981 0.88704832 0.01049540
0.37957599 0.29538898 0.36696422
0.37636237 0.15143683 0.22514214
0.15765295 0.89116275 0.00123667
0.06301951 0.71222187 -0.05087619
0.99471184 0.82878128 0.91057513
0.89345991 0.83786876 0.85072947
0.84785904 0.96095159 0.82407050
0.71053107 0.89298765 0.69392531
0.61347303 0.83775184 0.69681208
0.57533924 0.74639650 0.62760651
0.63665742 0.71294153 0.55741036
0.62299815 0.61259331 0.48242605
0.78117171 0.71414442 0.47436661
0.73157649 0.77244156 0.55335855
0.77037437 0.86386501 0.62010082
0.90161032 0.06922503 0.85870901
0.00428862 0.05740467 0.91824545
0.05054925 0.93575625 0.94322127
0.80138041 0.20861060 0.37724327
0.72398084 0.36552566 0.47786743
0.76297051 0.66727097 0.24914478
0.83916347 0.50929381 0.14909762
0.18514245 0.09654240 0.16312763
-0.00835113 0.09798301 0.14700876
0.00650617 0.44170169 0.30692985
0.19704172 0.44248620 0.32001898
0.49873048 0.64788257 0.15891091
0.46313104 0.48097705 0.28682889
0.24046646 0.31937268 0.04460815
0.27812660 0.48636858 0.91524854
0.56722272 0.04681376 0.00191757
0.40723117 0.91414706 -0.02909597
0.60487991 0.57887830 0.98170352
0.76487746 0.71024453 0.01427205
0.46592620 0.29347049 0.37809056
0.35737273 0.21824103 0.41865890
0.35544575 0.38610125 0.39253937
0.46202129 0.16100724 0.23333946
0.34453091 0.12834218 0.14502296
0.36293225 0.07062494 0.27854693
0.85180754 0.75314105 0.82546832
0.57039531 0.86433934 0.75580215
0.50136595 0.70022080 0.63075885
0.84513236 0.90844382 0.61740871
0.86190705 0.16231485 0.83762621
0.04668033 0.14152956 0.94389231
0.22182448 0.70046088 0.03507151
0.74623018 0.94432651 0.02576445
0.87694058 0.26387555 0.21044684
0.40742290 0.66933915 0.95267415
0.23256564 0.95346358 0.03961897
0.04289973 0.60074087 -0.06300348
0.74648630 0.98070914 0.76583050
0.55180471 0.53773683 0.46388731
0.86447301 0.73936218 0.44870491
0.15759073 0.75791230 0.00307943
0.71237840 0.61785950 0.43512712
No title
1
12.881975 0.064707 -1.322242
0.170454 10.534357 0.327428
-1.319409 0.610651 13.021845
C H O N
43 30 7 2
Direct configuration= 517
0.74136843 0.52619691 0.37055505
0.74847054 0.39689301 0.40564810
0.79124342 0.30918326 0.34988567
0.77049994 0.56678167 0.27658143
0.81270908 0.47891678 0.22064657
0.82671493 0.35146536 0.25977372
-0.01383245 0.27031457 0.22372900
0.03777371 0.17329665 0.18471680
0.14721106 0.17317489 0.19493808
0.04464197 0.36621420 0.27406359
0.15358420 0.36509150 0.28215054
0.20772307 0.26933432 0.24331151
0.32780897 0.27559259 0.25283686
0.35019969 0.38439789 0.17593379
0.42185405 0.47921139 0.20583926
0.44292869 0.57477264 0.13350394
0.29869137 0.38981013 0.07030101
0.31913751 0.48348948 -0.00323862
0.39247356 0.57593155 0.02862360
0.49780680 0.74033129 -0.02632841
0.48601026 0.87146564 -0.02124147
0.57598948 0.94462242 -0.00289605
0.59783509 0.68171291 -0.01411652
0.68685797 0.75591516 0.00445248
0.67639434 0.88723080 0.01058247
0.37970267 0.29505958 0.36698446
0.37641207 0.15128941 0.22507832
0.15762745 0.89119094 0.00124984
0.06304411 0.71230396 -0.05090456
0.99470708 0.82883353 0.91054860
0.89348099 0.83794974 0.85066996
0.84788761 0.96106510 0.82392163
0.71050968 0.89307582 0.69380483
0.61342660 0.83786407 0.69675344
0.57529886 0.74649410 0.62755767
0.63662004 0.71309695 0.55734942
0.62289479 0.61266443 0.48245632
0.78115971 0.71424788 0.47419019
0.73155216 0.77253875 0.55323527
0.77037258 0.86392377 0.61996264
0.90165061 0.06928208 0.85860242
0.00433322 0.05740832 0.91820781
0.05057102 0.93581253 0.94324225
0.80127755 0.20867112 0.37743841
0.72385345 0.36573861 0.47798992
0.76288876 0.66722418 0.24902797
0.83911093 0.50918760 0.14902211
0.18510291 0.09631082 0.16332608
-0.00837914 0.09782516 0.14723127
0.00649756 0.44163780 0.30685120
0.19708654 0.44234513 0.31991191
0.49864554 0.64785917 0.15904420
0.46302493 0.48079419 0.28695424
0.24052280 0.31928034 0.04457152
0.27814975 0.48643762 0.91520655
0.56710619 0.04695632 0.00199903
0.40715405 0.91418704 -0.02895235
0.60499700 0.57909057 0.98181073
0.76501021 0.71055007 0.01431990
0.46607008 0.29317630 0.37800295
0.35753090 0.21784069 0.41866547
0.35559564 0.38570069 0.39264599
0.46206884 0.16080516 0.23322099
0.34453931 0.12832470 0.14488459
0.36290354 0.07044808 0.27846080
0.85179934 0.75324131 0.82544750
0.57035936 0.86440089 0.75581674
0.50131006 0.70032520 0.63080751
0.84514241 0.90852757 0.61715460
0.86202573 0.16239475 0.83745979
0.04675498 0.14147498 0.94388079
0.22191989 0.70061304 0.03509390
0.74622628 0.94451423 0.02589914
0.87685490 0.26379025 0.21049988
0.40744010 0.66938521 0.95272961
0.23262095 0.95348626 0.03962498
0.04285469 0.60090681 -0.06307256
0.74652635 0.98076989 0.76566215
0.55174597 0.53783827 0.46395119
0.86438878 0.73949518 0.44842945
0.15762724 0.75798965 0.00305980
0.71234502 0.61792925 0.43501621
No title
1
12.878809 0.064363 -1.320746
0.170277 10.535622 0.328541
-1.317803 0.612158 13.019838
C H O N
43 30 7 2
Direct configuration= 518
0.74132634 0.52624132 0.37053735
0.74843594 0.39698203 0.40572632
0.79118637 0.30923081 0.34995496
0.77048317 0.56678625 0.27652839
0.81266288 0.47889642 0.22062818
0.82665805 0.35148486 0.25980791
-0.01386937 0.27024684 0.22378379
0.03771555 0.17315504 0.18482137
0.14720449 0.17303167 0.19503912
0.04460727 0.36616338 0.27405440
0.15361637 0.36502658 0.28214559
0.20775264 0.26919544 0.24337618
0.32786359 0.27548607 0.25282643
0.35021401 0.38427239 0.17593842
0.42185453 0.47910147 0.20587084
0.44293037 0.57472450 0.13352575
0.29874549 0.38974910 0.07027965
0.31919045 0.48345775 -0.00323918
0.39249950 0.57592688 0.02863434
0.49782204 0.74040218 -0.02628133
0.48596339 0.87149870 -0.02118421
0.57598380 0.94463780 -0.00280964
0.59786988 0.68183255 -0.01407645
0.68688272 0.75609038 0.00449808
0.67642919 0.88734738 0.01063810
0.37978365 0.29484912 0.36699741
0.37644384 0.15119524 0.22503754
0.15761115 0.89120895 0.00125825
0.06305985 0.71235641 -0.05092271
0.99470404 0.82886692 0.91053163
0.89349448 0.83800149 0.85063192
0.84790589 0.96113765 0.82382648
0.71049602 0.89313217 0.69372782
0.61339692 0.83793579 0.69671596
0.57527305 0.74655646 0.62752645
0.63659615 0.71319625 0.55731047
0.62282870 0.61270985 0.48247567
0.78115206 0.71431400 0.47407743
0.73153662 0.77260085 0.55315647
0.77037145 0.86396132 0.61987432
0.90167639 0.06931855 0.85853429
0.00436173 0.05741066 0.91818374
0.05058493 0.93584849 0.94325566
0.80121178 0.20870974 0.37756314
0.72377200 0.36587465 0.47806821
0.76283651 0.66719430 0.24895333
0.83907735 0.50911976 0.14897387
0.18507762 0.09616283 0.16345295
-0.00839706 0.09772428 0.14737350
0.00649207 0.44159700 0.30680093
0.19711520 0.44225502 0.31984348
0.49859123 0.64784419 0.15912939
0.46295708 0.48067735 0.28703439
0.24055881 0.31922135 0.04454811
0.27816455 0.48648174 0.91517971
0.56703169 0.04704739 0.00205110
0.40710474 0.91421255 -0.02886056
0.60507184 0.57922617 0.98187922
0.76509507 0.71074528 0.01435045
0.46616206 0.29298835 0.37794696
0.35763201 0.21758493 0.41866969
0.35569145 0.38544476 0.39271415
0.46209924 0.16067607 0.23314528
0.34454469 0.12831356 0.14479615
0.36288519 0.07033510 0.27840577
0.85179410 0.75330537 0.82543419
0.57033638 0.86444021 0.75582607
0.50127432 0.70039190 0.63083862
0.84514886 0.90858111 0.61699217
0.86210161 0.16244582 0.83735340
0.04680270 0.14144012 0.94387343
0.22198088 0.70071025 0.03510820
0.74622377 0.94463414 0.02598521
0.87680013 0.26373575 0.21053379
0.40745108 0.66941463 0.95276505
0.23265630 0.95350075 0.03962881
0.04282590 0.60101284 -0.06311673
0.74655197 0.98080872 0.76555455
0.55170841 0.53790306 0.46399202
0.86433497 0.73958020 0.44825338
0.15765058 0.75803908 0.00304725
0.71232368 0.61797383 0.43494532
No title
1
12.876055 0.063779 -1.319236
0.169905 10.537092 0.329632
-1.316276 0.613689 13.017446
C H O N
43 30 7 2
Direct configuration= 519
0.74126647 0.52625205 0.37056155
0.74841817 0.39707465 0.40574945
0.79114305 0.30929966 0.35002387
0.77045783 0.56679640 0.27649902
0.81264627 0.47884217 0.22059266
0.82658981 0.35146156 0.25984817
-0.01388464 0.27017807 0.22385866
0.03764617 0.17307400 0.18492111
0.14724200 0.17290359 0.19513554
0.04458952 0.36607434 0.27403319
0.15364578 0.36496026 0.28215147
0.20774861 0.26907050 0.24342707
0.32790850 0.27534318 0.25282634
0.35020874 0.38421458 0.17592504
0.42187267 0.47900678 0.20591205
0.44293043 0.57468549 0.13357087
0.29881913 0.38970263 0.07024263
0.31923249 0.48342442 -0.00323371
0.39253750 0.57587475 0.02868367
0.49786372 0.74048599 -0.02621486
0.48594709 0.87154461 -0.02112254
0.57591538 0.94471906 -0.00275143
0.59788621 0.68196585 -0.01406468
0.68692664 0.75618006 0.00454893
0.67642453 0.88745757 0.01068667
0.37983362 0.29466748 0.36700187
0.37650314 0.15108052 0.22501477
0.15763447 0.89127565 0.00128896
0.06305894 0.71241974 -0.05094460
0.99467764 0.82888332 0.91049122
0.89347258 0.83807394 0.85057495
0.84791258 0.96117852 0.82373440
0.71049096 0.89320704 0.69365386
0.61337312 0.83799985 0.69670296
0.57525331 0.74664992 0.62751453
0.63656527 0.71326041 0.55727290
0.62282543 0.61280477 0.48248150
0.78112744 0.71440052 0.47397713
0.73149650 0.77261742 0.55307328
0.77038506 0.86400414 0.61978401
0.90169993 0.06931701 0.85846058
0.00440712 0.05745427 0.91818401
0.05059588 0.93584304 0.94322968
0.80114641 0.20877030 0.37767912
0.72368656 0.36600332 0.47815014
0.76277804 0.66718600 0.24886735
0.83904718 0.50906525 0.14891693
0.18506899 0.09601333 0.16357956
-0.00842005 0.09761856 0.14750056
0.00648100 0.44157421 0.30674879
0.19713572 0.44217785 0.31977972
0.49853276 0.64779907 0.15920688
0.46287570 0.48056861 0.28708690
0.24058840 0.31916436 0.04452629
0.27821649 0.48652030 0.91519257
0.56697315 0.04708210 0.00210262
0.40708477 0.91423095 -0.02877498
0.60514418 0.57935509 0.98194511
0.76517021 0.71093371 0.01437188
0.46626158 0.29280155 0.37790062
0.35774483 0.21734328 0.41868262
0.35579136 0.38519475 0.39277946
0.46210932 0.16054902 0.23308295
0.34453389 0.12830912 0.14469053
0.36286571 0.07022482 0.27833979
0.85180204 0.75340433 0.82543679
0.57032475 0.86447634 0.75582521
0.50121756 0.70044661 0.63086717
0.84515785 0.90861736 0.61685364
0.86217190 0.16250159 0.83723010
0.04684011 0.14140720 0.94386938
0.22205376 0.70075394 0.03512652
0.74624390 0.94477171 0.02606439
0.87673683 0.26373181 0.21058806
0.40746435 0.66948210 0.95276958
0.23265380 0.95348020 0.03960795
0.04279839 0.60107900 -0.06315399
0.74658163 0.98086106 0.76544114
0.55164279 0.53792489 0.46404027
0.86431014 0.73965709 0.44808212
0.15767480 0.75808907 0.00303068
0.71226047 0.61802241 0.43491594
No title
1
12.874715 0.063494 -1.318502
0.169724 10.537808 0.330164
-1.315532 0.614435 13.016282
C H O N
43 30 7 2
Direct configuration= 520
0.74123732 0.52625727 0.37057333
0.74840952 0.39711972 0.40576071
0.79112196 0.30933316 0.35005742
0.77044550 0.56680134 0.27648473
0.81263819 0.47881577 0.22057537
0.82655658 0.35145021 0.25986777
-0.01389208 0.27014459 0.22389512
0.03761239 0.17303454 0.18496967
0.14726026 0.17284125 0.19518248
0.04458088 0.36603101 0.27402287
0.15366010 0.36492798 0.28215433
0.20774665 0.26900969 0.24345186
0.32793036 0.27527364 0.25282630
0.35020618 0.38418645 0.17591853
0.42188150 0.47896069 0.20593212
0.44293045 0.57466650 0.13359283
0.29885498 0.38968002 0.07022461
0.31925296 0.48340821 -0.00323105
0.39255600 0.57584938 0.02870768
0.49788401 0.74052678 -0.02618250
0.48593915 0.87156695 -0.02109253
0.57588206 0.94475860 -0.00272309
0.59789416 0.68203072 -0.01405895
0.68694802 0.75622371 0.00457367
0.67642226 0.88751119 0.01071031
0.37985795 0.29457909 0.36700405
0.37653201 0.15102470 0.22500369
0.15764582 0.89130811 0.00130390
0.06305850 0.71245057 -0.05095526
0.99466479 0.82889131 0.91047155
0.89346193 0.83810920 0.85054721
0.84791584 0.96119842 0.82368957
0.71048851 0.89324348 0.69361785
0.61336153 0.83803103 0.69669663
0.57524371 0.74669540 0.62750872
0.63655023 0.71329163 0.55725460
0.62282384 0.61285096 0.48248434
0.78111546 0.71444264 0.47392830
0.73147697 0.77262548 0.55303279
0.77039169 0.86402499 0.61974005
0.90171139 0.06931626 0.85842469
0.00442923 0.05747550 0.91818414
0.05060121 0.93584038 0.94321703
0.80111458 0.20879976 0.37773559
0.72364496 0.36606593 0.47819002
0.76274957 0.66718196 0.24882549
0.83903250 0.50903873 0.14888921
0.18506479 0.09594056 0.16364121
-0.00843124 0.09756710 0.14756242
0.00647561 0.44156312 0.30672341
0.19714570 0.44214030 0.31974868
0.49850430 0.64777711 0.15924460
0.46283607 0.48051568 0.28711248
0.24060280 0.31913663 0.04451567
0.27824178 0.48653906 0.91519882
0.56694465 0.04709899 0.00212771
0.40707505 0.91423990 -0.02873332
0.60517939 0.57941783 0.98197718
0.76520680 0.71102542 0.01438230
0.46631003 0.29271064 0.37787806
0.35779976 0.21722568 0.41868892
0.35584000 0.38507307 0.39281126
0.46211422 0.16048719 0.23305261
0.34452863 0.12830696 0.14463911
0.36285623 0.07017116 0.27830767
0.85180591 0.75345249 0.82543805
0.57031909 0.86449392 0.75582479
0.50118992 0.70047323 0.63088107
0.84516224 0.90863502 0.61678619
0.86220613 0.16252874 0.83717007
0.04685831 0.14139117 0.94386741
0.22208923 0.70077520 0.03513544
0.74625370 0.94483866 0.02610294
0.87670601 0.26372989 0.21061448
0.40747081 0.66951494 0.95277179
0.23265258 0.95347020 0.03959779
0.04278499 0.60111121 -0.06317213
0.74659607 0.98088654 0.76538592
0.55161084 0.53793551 0.46406376
0.86429805 0.73969453 0.44799874
0.15768660 0.75811340 0.00302261
0.71222969 0.61804606 0.43490163
No title
1
12.872033 0.062925 -1.317032
0.169363 10.539240 0.331227
-1.314046 0.615925 13.013953
C H O N
43 30 7 2
Direct configuration= 521
0.74117902 0.52626771 0.37059690
0.74839221 0.39720986 0.40578323
0.79107976 0.30940016 0.35012453
0.77042084 0.56681123 0.27645614
0.81262202 0.47876297 0.22054078
0.82649011 0.35142751 0.25990699
-0.01390696 0.27007763 0.22396804
0.03754481 0.17295564 0.18506681
0.14729678 0.17271657 0.19527638
0.04456359 0.36594436 0.27400224
0.15368874 0.36486343 0.28216006
0.20774271 0.26888808 0.24350143
0.32797408 0.27513458 0.25282622
0.35020104 0.38413019 0.17590551
0.42189915 0.47886851 0.20597226
0.44293050 0.57462853 0.13363677
0.29892669 0.38963481 0.07018855
0.31929390 0.48337578 -0.00322572
0.39259299 0.57579864 0.02875571
0.49792459 0.74060835 -0.02611779
0.48592328 0.87161163 -0.02103249
0.57581543 0.94483766 -0.00266640
0.59791007 0.68216046 -0.01404751
0.68699079 0.75631099 0.00462316
0.67641772 0.88761843 0.01075759
0.37990660 0.29440230 0.36700841
0.37658975 0.15091306 0.22498153
0.15766853 0.89137303 0.00133379
0.06305763 0.71251221 -0.05097658
0.99463909 0.82890727 0.91043220
0.89344061 0.83817973 0.85049174
0.84792238 0.96123823 0.82359991
0.71048360 0.89331637 0.69354582
0.61333835 0.83809339 0.69668396
0.57522449 0.74678636 0.62749710
0.63652016 0.71335408 0.55721801
0.62282065 0.61294335 0.48249001
0.78109151 0.71452687 0.47383062
0.73143790 0.77264162 0.55295179
0.77040496 0.86406668 0.61965210
0.90173433 0.06931478 0.85835291
0.00447343 0.05751795 0.91818440
0.05061188 0.93583509 0.94319173
0.80105090 0.20885867 0.37784853
0.72356176 0.36619114 0.47826980
0.76269265 0.66717390 0.24874178
0.83900314 0.50898569 0.14883377
0.18505636 0.09579502 0.16376453
-0.00845365 0.09746418 0.14768616
0.00646484 0.44154095 0.30667264
0.19716568 0.44206520 0.31968659
0.49844736 0.64773317 0.15932007
0.46275680 0.48040982 0.28716364
0.24063161 0.31908118 0.04449442
0.27829236 0.48657659 0.91521133
0.56688763 0.04713277 0.00217789
0.40705560 0.91425779 -0.02864999
0.60524983 0.57954330 0.98204131
0.76527997 0.71120883 0.01440313
0.46640695 0.29252883 0.37783293
0.35790962 0.21699050 0.41870153
0.35593728 0.38482972 0.39287486
0.46212404 0.16036354 0.23299192
0.34451813 0.12830266 0.14453626
0.36283727 0.07006384 0.27824343
0.85181365 0.75354881 0.82544057
0.57030777 0.86452908 0.75582396
0.50113464 0.70052648 0.63090887
0.84517102 0.90867034 0.61665128
0.86227459 0.16258306 0.83704999
0.04689474 0.14135913 0.94386346
0.22216019 0.70081773 0.03515327
0.74627329 0.94497255 0.02618003
0.87664436 0.26372604 0.21066733
0.40748373 0.66958061 0.95277620
0.23265015 0.95345020 0.03957748
0.04275820 0.60117561 -0.06320842
0.74662497 0.98093751 0.76527548
0.55154693 0.53795674 0.46411076
0.86427390 0.73976941 0.44783196
0.15771019 0.75816207 0.00300647
0.71216814 0.61809335 0.43487303
No title
1
12.873736 0.063286 -1.317965
0.169592 10.538331 0.330552
-1.314990 0.614979 13.015432
C H O N
43 30 7 2
Direct configuration= 522
0.74121605 0.52626109 0.37058193
0.74840320 0.39715263 0.40576893
0.79110657 0.30935762 0.35008190
0.77043650 0.56680495 0.27647430
0.81263229 0.47879649 0.22056275
0.82653233 0.35144193 0.25988208
-0.01389750 0.27012015 0.22392172
0.03758774 0.17300575 0.18500510
0.14727359 0.17279575 0.19521673
0.04457457 0.36599938 0.27401534
0.15367055 0.36490442 0.28215642
0.20774522 0.26896531 0.24346994
0.32794631 0.27522288 0.25282626
0.35020430 0.38416591 0.17591378
0.42188794 0.47892705 0.20594676
0.44293048 0.57465264 0.13360886
0.29888114 0.38966352 0.07021145
0.31926789 0.48339637 -0.00322910
0.39256950 0.57583087 0.02872520
0.49789882 0.74055656 -0.02615889
0.48593337 0.87158327 -0.02107062
0.57585776 0.94478746 -0.00270240
0.59789997 0.68207808 -0.01405477
0.68696363 0.75625557 0.00459173
0.67642060 0.88755034 0.01072756
0.37987570 0.29451455 0.36700564
0.37655308 0.15098395 0.22499561
0.15765411 0.89133181 0.00131481
0.06305818 0.71247307 -0.05096303
0.99465541 0.82889713 0.91045719
0.89345415 0.83813494 0.85052698
0.84791822 0.96121294 0.82365686
0.71048671 0.89327008 0.69359158
0.61335307 0.83805379 0.69669201
0.57523670 0.74672860 0.62750448
0.63653926 0.71331442 0.55724125
0.62282267 0.61288468 0.48248641
0.78110672 0.71447338 0.47389267
0.73146271 0.77263137 0.55300324
0.77039653 0.86404020 0.61970796
0.90171976 0.06931572 0.85839851
0.00444535 0.05749099 0.91818424
0.05060510 0.93583845 0.94320780
0.80109135 0.20882128 0.37777679
0.72361461 0.36611165 0.47821913
0.76272880 0.66717901 0.24879495
0.83902179 0.50901937 0.14886898
0.18506172 0.09588745 0.16368619
-0.00843941 0.09752955 0.14760755
0.00647168 0.44155502 0.30670489
0.19715299 0.44211288 0.31972603
0.49848353 0.64776108 0.15927213
0.46280716 0.48047705 0.28713113
0.24061331 0.31911639 0.04450791
0.27826023 0.48655276 0.91520339
0.56692385 0.04711133 0.00214602
0.40706796 0.91424644 -0.02870292
0.60520509 0.57946363 0.98200058
0.76523349 0.71109237 0.01438991
0.46634539 0.29264427 0.37786159
0.35783984 0.21713983 0.41869351
0.35587550 0.38498425 0.39283445
0.46211780 0.16044205 0.23303046
0.34452480 0.12830538 0.14460159
0.36284931 0.07013198 0.27828423
0.85180874 0.75348765 0.82543898
0.57031496 0.86450676 0.75582449
0.50116975 0.70049267 0.63089121
0.84516543 0.90864790 0.61673698
0.86223110 0.16254855 0.83712627
0.04687160 0.14137948 0.94386597
0.22211512 0.70079072 0.03514195
0.74626085 0.94488754 0.02613107
0.87668352 0.26372849 0.21063376
0.40747552 0.66953891 0.95277340
0.23265169 0.95346290 0.03959038
0.04277522 0.60113472 -0.06318537
0.74660660 0.98090513 0.76534563
0.55158753 0.53794327 0.46408091
0.86428923 0.73972184 0.44793789
0.15769521 0.75813116 0.00301673
0.71220723 0.61806332 0.43489120
No title
1
12.871508 0.062729 -1.316608
0.169237 10.539830 0.331556
-1.313652 0.616400 13.013205
C H O N
43 30 7 2
Direct configuration= 523
0.74116479 0.52629631 0.37058591
0.74837410 0.39720255 0.40581185
0.79107568 0.30939529 0.35015142
0.77041314 0.56678641 0.27645759
0.81261394 0.47876469 0.22054612
0.82647933 0.35141297 0.25990197
-0.01392928 0.27004530 0.22398586
0.03758370 0.17295207 0.18509339
0.14726343 0.17269520 0.19529798
0.04459411 0.36594306 0.27401672
0.15366387 0.36482297 0.28215485
0.20775244 0.26886458 0.24350594
0.32796804 0.27508609 0.25283052
0.35020935 0.38413908 0.17590895
0.42189481 0.47885130 0.20597332
0.44292727 0.57460840 0.13366827
0.29892787 0.38959293 0.07018196
0.31931184 0.48338833 -0.00323109
0.39260890 0.57579291 0.02875939
0.49791471 0.74063316 -0.02610088
0.48592769 0.87163051 -0.02101120
0.57580534 0.94487744 -0.00266267
0.59793180 0.68217138 -0.01404814
0.68700608 0.75633856 0.00463761
0.67639328 0.88763443 0.01076870
0.37993251 0.29435195 0.36700630
0.37657326 0.15088067 0.22494597
0.15763415 0.89134006 0.00130933
0.06304909 0.71250874 -0.05098363
0.99463929 0.82892586 0.91042039
0.89342811 0.83820880 0.85047334
0.84792431 0.96123889 0.82358285
0.71049214 0.89333362 0.69352139
0.61334809 0.83810771 0.69668384
0.57519716 0.74681033 0.62750716
0.63649795 0.71335329 0.55721491
0.62277897 0.61292036 0.48246570
0.78107758 0.71454992 0.47380646
0.73144889 0.77266735 0.55294417
0.77039191 0.86406583 0.61961764
0.90175187 0.06933144 0.85833619
0.00446690 0.05749061 0.91817630
0.05060169 0.93584299 0.94316306
0.80103293 0.20890072 0.37787180
0.72354732 0.36622638 0.47827088
0.76267574 0.66718049 0.24871345
0.83900005 0.50897686 0.14880937
0.18507060 0.09574778 0.16379476
-0.00846948 0.09743222 0.14770973
0.00646180 0.44153330 0.30665239
0.19717450 0.44206581 0.31967932
0.49844047 0.64771804 0.15933856
0.46273768 0.48038669 0.28717409
0.24064741 0.31907928 0.04449169
0.27832291 0.48658304 0.91522669
0.56687816 0.04712512 0.00219234
0.40705950 0.91425721 -0.02863297
0.60526207 0.57958082 0.98205383
0.76529728 0.71124728 0.01440521
0.46642162 0.29248195 0.37782534
0.35794373 0.21693647 0.41871018
0.35595936 0.38478120 0.39289323
0.46214509 0.16033320 0.23298761
0.34451854 0.12830795 0.14452470
0.36283318 0.07002785 0.27822500
0.85180991 0.75357585 0.82544095
0.57030600 0.86454032 0.75582451
0.50112457 0.70054510 0.63091371
0.84518106 0.90867270 0.61662832
0.86229327 0.16257991 0.83701123
0.04690993 0.14137659 0.94387161
0.22216294 0.70081570 0.03514822
0.74627982 0.94501007 0.02619345
0.87662715 0.26374119 0.21069165
0.40749222 0.66959926 0.95278551
0.23268981 0.95348357 0.03959332
0.04275816 0.60119017 -0.06321095
0.74662564 0.98097168 0.76524245
0.55156751 0.53799790 0.46414411
0.86427221 0.73978637 0.44779005
0.15773111 0.75815775 0.00301039
0.71214451 0.61811395 0.43488564
No title
1
12.868512 0.061979 -1.314783
0.168759 10.541847 0.332907
-1.311852 0.618310 13.010212
C H O N
43 30 7 2
Direct configuration= 524
0.74109587 0.52634364 0.37059126
0.74833496 0.39726965 0.40586956
0.79103414 0.30944590 0.35024490
0.77038173 0.56676148 0.27643513
0.81258926 0.47872195 0.22052377
0.82640807 0.35137403 0.25992873
-0.01397203 0.26994466 0.22407211
0.03757825 0.17287988 0.18521211
0.14724975 0.17256004 0.19540723
0.04462039 0.36586736 0.27401857
0.15365489 0.36471349 0.28215275
0.20776214 0.26872917 0.24355437
0.32799725 0.27490222 0.25283625
0.35021614 0.38410301 0.17590246
0.42190405 0.47874947 0.20600903
0.44292294 0.57454891 0.13374817
0.29899071 0.38949807 0.07014231
0.31937093 0.48337752 -0.00323378
0.39266187 0.57574188 0.02880537
0.49793607 0.74073612 -0.02602289
0.48592004 0.87169401 -0.02093130
0.57573485 0.94499836 -0.00260925
0.59797461 0.68229681 -0.01403925
0.68706315 0.75645012 0.00469929
0.67635653 0.88774746 0.01082400
0.38000890 0.29413338 0.36700720
0.37660039 0.15074185 0.22487923
0.15760731 0.89135114 0.00130196
0.06303687 0.71255670 -0.05101133
0.99461761 0.82896448 0.91037092
0.89339310 0.83830809 0.85040120
0.84793252 0.96127377 0.82348333
0.71049944 0.89341904 0.69342701
0.61334139 0.83818019 0.69667285
0.57514400 0.74692018 0.62751075
0.63644242 0.71340554 0.55717948
0.62272022 0.61296832 0.48243784
0.78103841 0.71465283 0.47369055
0.73143031 0.77271572 0.55286476
0.77038572 0.86410030 0.61949620
0.90179505 0.06935258 0.85825240
0.00449587 0.05749011 0.91816563
0.05059710 0.93584911 0.94310291
0.80095435 0.20900748 0.37799956
0.72345683 0.36638060 0.47834047
0.76260441 0.66718249 0.24860388
0.83897083 0.50891973 0.14872923
0.18508252 0.09556002 0.16394076
-0.00850993 0.09730136 0.14784713
0.00644851 0.44150410 0.30658181
0.19720342 0.44200255 0.31961652
0.49838255 0.64766018 0.15942789
0.46264424 0.48026522 0.28723186
0.24069327 0.31902940 0.04446987
0.27840718 0.48662375 0.91525800
0.56681671 0.04714365 0.00225464
0.40704811 0.91427168 -0.02853891
0.60533869 0.57973835 0.98212540
0.76538306 0.71145552 0.01442575
0.46652413 0.29226377 0.37777660
0.35808342 0.21666312 0.41873259
0.35607211 0.38450825 0.39297227
0.46218177 0.16018689 0.23292999
0.34451013 0.12831141 0.14442131
0.36281150 0.06988789 0.27814538
0.85181149 0.75369440 0.82544359
0.57029394 0.86458543 0.75582455
0.50106381 0.70061556 0.63094396
0.84520208 0.90870606 0.61648221
0.86237688 0.16262209 0.83685654
0.04696147 0.14137272 0.94387920
0.22222724 0.70084929 0.03515665
0.74630531 0.94517476 0.02627732
0.87655135 0.26375825 0.21076950
0.40751467 0.66968038 0.95280178
0.23274106 0.95351136 0.03959727
0.04273524 0.60126472 -0.06324536
0.74665125 0.98106117 0.76510370
0.55154058 0.53807133 0.46422910
0.86424935 0.73987313 0.44759126
0.15777940 0.75819350 0.00300186
0.71206018 0.61818199 0.43487816
No title
1
12.867256 0.061664 -1.314018
0.168558 10.542692 0.333474
-1.311098 0.619111 13.008957
C H O N
43 30 7 2
Direct configuration= 525
0.74106696 0.52636349 0.37059351
0.74831854 0.39729777 0.40589376
0.79101672 0.30946712 0.35028411
0.77036856 0.56675103 0.27642571
0.81257891 0.47870403 0.22051439
0.82637818 0.35135770 0.25993996
-0.01398997 0.26990246 0.22410829
0.03757596 0.17284961 0.18526191
0.14724401 0.17250336 0.19545306
0.04463141 0.36583562 0.27401935
0.15365112 0.36466759 0.28215188
0.20776620 0.26867239 0.24357468
0.32800950 0.27482512 0.25283866
0.35021898 0.38408789 0.17589974
0.42190792 0.47870678 0.20602402
0.44292112 0.57452397 0.13378168
0.29901706 0.38945830 0.07012568
0.31939571 0.48337299 -0.00323490
0.39268409 0.57572048 0.02882465
0.49794503 0.74077928 -0.02599018
0.48591683 0.87172063 -0.02089779
0.57570529 0.94504906 -0.00258684
0.59799257 0.68234940 -0.01403552
0.68708709 0.75649689 0.00472516
0.67634112 0.88779485 0.01084719
0.38004094 0.29404174 0.36700758
0.37661178 0.15068366 0.22485124
0.15759606 0.89135579 0.00129887
0.06303174 0.71257681 -0.05102295
0.99460852 0.82898068 0.91035016
0.89337842 0.83834973 0.85037094
0.84793596 0.96128841 0.82344158
0.71050251 0.89345487 0.69338741
0.61333858 0.83821058 0.69666824
0.57512171 0.74696623 0.62751226
0.63641913 0.71342745 0.55716462
0.62269557 0.61298843 0.48242616
0.78102198 0.71469599 0.47364193
0.73142252 0.77273601 0.55283144
0.77038313 0.86411476 0.61944525
0.90181317 0.06936146 0.85821725
0.00450803 0.05748990 0.91816115
0.05059518 0.93585168 0.94307767
0.80092139 0.20905223 0.37805315
0.72341887 0.36644526 0.47836966
0.76257450 0.66718334 0.24855792
0.83895857 0.50889579 0.14869562
0.18508750 0.09548128 0.16400200
-0.00852691 0.09724648 0.14790477
0.00644295 0.44149186 0.30655221
0.19721555 0.44197603 0.31959018
0.49835825 0.64763591 0.15946537
0.46260505 0.48021428 0.28725611
0.24071250 0.31900849 0.04446071
0.27844253 0.48664081 0.91527113
0.56679094 0.04715141 0.00228077
0.40704332 0.91427774 -0.02849946
0.60537083 0.57980439 0.98215541
0.76541905 0.71154283 0.01443435
0.46656713 0.29217231 0.37775617
0.35814200 0.21654851 0.41874200
0.35611940 0.38439381 0.39300542
0.46219716 0.16012556 0.23290583
0.34450661 0.12831287 0.14437795
0.36280241 0.06982921 0.27811199
0.85181215 0.75374411 0.82544470
0.57028888 0.86460434 0.75582456
0.50103833 0.70064510 0.63095665
0.84521091 0.90872006 0.61642092
0.86241196 0.16263979 0.83679165
0.04698308 0.14137110 0.94388238
0.22225422 0.70086337 0.03516018
0.74631601 0.94524380 0.02631249
0.87651955 0.26376539 0.21080216
0.40752409 0.66971439 0.95280861
0.23276256 0.95352302 0.03959893
0.04272562 0.60129597 -0.06325979
0.74666200 0.98109870 0.76504550
0.55152928 0.53810210 0.46426475
0.86423977 0.73990952 0.44750787
0.15779965 0.75820849 0.00299828
0.71202480 0.61821052 0.43487503
No title
1
12.864503 0.060931 -1.312171
0.168104 10.544912 0.334898
-1.309301 0.621122 13.005962
C H O N
43 30 7 2
Direct configuration= 526
0.74100953 0.52643445 0.37057823
0.74824889 0.39734776 0.40598547
0.79097037 0.30950525 0.35038841
0.77033402 0.56673667 0.27638143
0.81254014 0.47868923 0.22051472
0.82631798 0.35137827 0.25995190
-0.01403673 0.26981748 0.22419509
0.03756902 0.17273437 0.18535603
0.14722013 0.17237169 0.19555470
0.04462191 0.36579016 0.27404583
0.15367242 0.36455423 0.28215471
0.20779052 0.26853475 0.24360893
0.32802004 0.27466965 0.25283577
0.35022983 0.38399403 0.17590933
0.42189123 0.47861199 0.20606148
0.44291318 0.57446186 0.13385092
0.29906249 0.38935480 0.07011229
0.31947929 0.48337534 -0.00322186
0.39274097 0.57573013 0.02883054
0.49794630 0.74086519 -0.02592553
0.48589524 0.87177969 -0.02081523
0.57570831 0.94511064 -0.00253913
0.59805941 0.68245980 -0.01401315
0.68712226 0.75667795 0.00477737
0.67632919 0.88791843 0.01091114
0.38015139 0.29379968 0.36701786
0.37658071 0.15056765 0.22474551
0.15763153 0.89135171 0.00129004
0.06302628 0.71260208 -0.05104436
0.99460575 0.82904614 0.91030198
0.89337152 0.83843328 0.85031723
0.84794506 0.96137521 0.82335374
0.71050501 0.89351929 0.69328407
0.61335744 0.83828629 0.69665496
0.57504662 0.74704251 0.62751138
0.63635313 0.71348899 0.55715216
0.62262826 0.61306389 0.48242429
0.78099404 0.71478893 0.47352232
0.73141111 0.77280463 0.55276324
0.77037130 0.86416094 0.61932309
0.90186457 0.06940767 0.85813156
0.00450651 0.05746471 0.91812461
0.05058792 0.93586052 0.94301300
0.80084517 0.20916487 0.37818246
0.72333929 0.36659011 0.47842257
0.76250822 0.66714839 0.24845292
0.83893172 0.50883837 0.14861691
0.18510554 0.09530767 0.16415316
-0.00855827 0.09714883 0.14804876
0.00643808 0.44145105 0.30647018
0.19723719 0.44191601 0.31952899
0.49832620 0.64759219 0.15956007
0.46252684 0.48009864 0.28732629
0.24076288 0.31896194 0.04443593
0.27853101 0.48668065 0.91527557
0.56672964 0.04721026 0.00234661
0.40702383 0.91428880 -0.02841444
0.60543484 0.57995348 0.98221395
0.76550898 0.71173299 0.01445446
0.46664810 0.29195791 0.37770996
0.35828556 0.21628927 0.41877231
0.35622242 0.38414151 0.39308399
0.46226535 0.15998228 0.23286256
0.34450575 0.12831764 0.14429687
0.36278232 0.06967243 0.27803019
0.85178328 0.75383568 0.82543088
0.57027633 0.86465906 0.75583423
0.50098759 0.70073097 0.63098749
0.84523479 0.90873914 0.61628855
0.86249862 0.16264362 0.83663250
0.04703353 0.14137906 0.94389767
0.22228652 0.70089385 0.03514972
0.74629747 0.94537512 0.02637645
0.87646964 0.26374939 0.21086833
0.40755066 0.66976503 0.95287318
0.23277073 0.95353674 0.03958877
0.04271523 0.60137297 -0.06328215
0.74667664 0.98121980 0.76490335
0.55147473 0.53813709 0.46434904
0.86418260 0.73997997 0.44732342
0.15782695 0.75822043 0.00298491
0.71198630 0.61827091 0.43484439
No title
1
12.860187 0.059781 -1.309274
0.167392 10.548393 0.337132
-1.306482 0.624275 13.001264
C H O N
43 30 7 2
Direct configuration= 527
0.74091947 0.52654571 0.37055426
0.74813960 0.39742611 0.40612933
0.79089765 0.30956500 0.35055202
0.77027985 0.56671417 0.27631198
0.81247933 0.47866601 0.22051525
0.82622356 0.35141052 0.25997063
-0.01411011 0.26968421 0.22433126
0.03755810 0.17255364 0.18550369
0.14718266 0.17216521 0.19571416
0.04460700 0.36571888 0.27408737
0.15370583 0.36437649 0.28215918
0.20782865 0.26831893 0.24366266
0.32803656 0.27442589 0.25283127
0.35024683 0.38384687 0.17592439
0.42186504 0.47846336 0.20612026
0.44290069 0.57436446 0.13395953
0.29913373 0.38919254 0.07009131
0.31961040 0.48337901 -0.00320142
0.39283019 0.57574528 0.02883978
0.49794828 0.74099985 -0.02582413
0.48586135 0.87187226 -0.02068572
0.57571304 0.94520718 -0.00246429
0.59816426 0.68263292 -0.01397808
0.68717744 0.75696184 0.00485924
0.67631048 0.88811217 0.01101144
0.38032462 0.29342016 0.36703399
0.37653198 0.15038578 0.22457969
0.15768717 0.89134530 0.00127618
0.06301773 0.71264172 -0.05107795
0.99460141 0.82914881 0.91022638
0.89336070 0.83856430 0.85023295
0.84795934 0.96151134 0.82321595
0.71050897 0.89362035 0.69312194
0.61338704 0.83840500 0.69663411
0.57492883 0.74716210 0.62751000
0.63624962 0.71358548 0.55713262
0.62252267 0.61318219 0.48242135
0.78095023 0.71493470 0.47333469
0.73139321 0.77291223 0.55265625
0.77035278 0.86423339 0.61913146
0.90194522 0.06948017 0.85799713
0.00450413 0.05742522 0.91806729
0.05057655 0.93587440 0.94291156
0.80072559 0.20934144 0.37838530
0.72321446 0.36681721 0.47850557
0.76240427 0.66709363 0.24828824
0.83888961 0.50874837 0.14849347
0.18513379 0.09503542 0.16439029
-0.00860749 0.09699568 0.14827463
0.00643047 0.44138709 0.30634151
0.19727115 0.44182192 0.31943302
0.49827591 0.64752360 0.15970864
0.46240415 0.47991730 0.28743641
0.24084190 0.31888897 0.04439704
0.27866979 0.48674313 0.91528250
0.56663348 0.04730249 0.00244989
0.40699323 0.91430612 -0.02828106
0.60553526 0.58018723 0.98230575
0.76565005 0.71203115 0.01448594
0.46677512 0.29162176 0.37763751
0.35851074 0.21588281 0.41881988
0.35638400 0.38374590 0.39320726
0.46237232 0.15975766 0.23279470
0.34450442 0.12832515 0.14416969
0.36275082 0.06942664 0.27790189
0.85173800 0.75397925 0.82540920
0.57025665 0.86474484 0.75584939
0.50090799 0.70086559 0.63103586
0.84527228 0.90876912 0.61608091
0.86263458 0.16264970 0.83638284
0.04711264 0.14139155 0.94392164
0.22233719 0.70094165 0.03513330
0.74626838 0.94558101 0.02647678
0.87639133 0.26372426 0.21097214
0.40759232 0.66984443 0.95297446
0.23278355 0.95355825 0.03957282
0.04269893 0.60149371 -0.06331723
0.74669963 0.98140973 0.76468035
0.55138914 0.53819190 0.46448127
0.86409295 0.74009049 0.44703409
0.15786977 0.75823915 0.00296394
0.71192591 0.61836560 0.43479631
No title
1
12.857997 0.059223 -1.307646
0.167067 10.550285 0.338389
-1.304907 0.626033 12.998733
C H O N
43 30 7 2
Direct configuration= 528
0.74087794 0.52657165 0.37054682
0.74808271 0.39750377 0.40617066
0.79084565 0.30964208 0.35063369
0.77023850 0.56673150 0.27626417
0.81245254 0.47866564 0.22048731
0.82617315 0.35144144 0.26000702
-0.01412160 0.26962008 0.22440444
0.03751168 0.17245658 0.18558926
0.14719114 0.17203674 0.19579680
0.04458631 0.36564203 0.27410020
0.15374178 0.36428719 0.28216684
0.20783884 0.26820502 0.24369340
0.32805450 0.27430276 0.25282644
0.35025475 0.38371338 0.17593844
0.42183538 0.47837774 0.20616420
0.44289762 0.57432743 0.13399683
0.29918635 0.38914220 0.07009283
0.31968600 0.48336597 -0.00318207
0.39287869 0.57576251 0.02885844
0.49796865 0.74106299 -0.02577307
0.48585269 0.87190105 -0.02061471
0.57571872 0.94525899 -0.00242296
0.59821131 0.68276548 -0.01394478
0.68721473 0.75711483 0.00489649
0.67633694 0.88822686 0.01107336
0.38040837 0.29321468 0.36705169
0.37652548 0.15030386 0.22451432
0.15772534 0.89133093 0.00125181
0.06302279 0.71269360 -0.05109287
0.99461227 0.82919115 0.91018510
0.89335813 0.83863520 0.85019077
0.84796947 0.96160505 0.82314404
0.71051138 0.89368155 0.69304126
0.61338455 0.83845669 0.69661711
0.57488789 0.74723103 0.62751125
0.63620727 0.71365839 0.55712714
0.62246347 0.61325712 0.48243936
0.78089648 0.71499494 0.47324289
0.73135977 0.77295642 0.55258759
0.77035960 0.86429579 0.61902799
0.90197498 0.06951124 0.85790944
0.00452658 0.05744545 0.91803883
0.05059858 0.93587725 0.94287507
0.80066329 0.20941457 0.37850850
0.72313769 0.36692263 0.47858174
0.76235126 0.66703749 0.24819782
0.83886014 0.50869231 0.14844378
0.18514304 0.09490469 0.16453149
-0.00863231 0.09692274 0.14840304
0.00642034 0.44136991 0.30627572
0.19728439 0.44175833 0.31937505
0.49825927 0.64748870 0.15979634
0.46234452 0.47981851 0.28750503
0.24087908 0.31883629 0.04436685
0.27874844 0.48677863 0.91526644
0.56658423 0.04735922 0.00250871
0.40695862 0.91432226 -0.02821109
0.60558880 0.58030493 0.98234793
0.76571236 0.71220575 0.01450310
0.46685667 0.29143386 0.37759776
0.35863776 0.21565760 0.41885370
0.35647509 0.38350984 0.39326968
0.46241135 0.15963011 0.23275639
0.34449570 0.12832042 0.14407986
0.36273189 0.06928927 0.27781902
0.85169624 0.75405047 0.82538721
0.57025376 0.86479953 0.75585850
0.50085034 0.70094265 0.63106738
0.84529073 0.90877756 0.61596937
0.86270694 0.16265056 0.83623897
0.04713727 0.14136375 0.94392737
0.22235091 0.70096273 0.03511550
0.74623213 0.94568170 0.02652350
0.87635290 0.26369153 0.21101883
0.40761533 0.66988984 0.95304151
0.23277742 0.95356336 0.03956135
0.04269100 0.60154169 -0.06333259
0.74671000 0.98152505 0.76454781
0.55132789 0.53820810 0.46455332
0.86405535 0.74015711 0.44686829
0.15787269 0.75824950 0.00294537
0.71190646 0.61842262 0.43475576
No title
1
12.855867 0.058680 -1.306063
0.166751 10.552124 0.339612
-1.303375 0.627742 12.996271
C H O N
43 30 7 2
Direct configuration= 529
0.74083755 0.52659687 0.37053958
0.74802736 0.39757928 0.40621085
0.79079506 0.30971700 0.35071312
0.77019828 0.56674836 0.27621768
0.81242648 0.47866529 0.22046013
0.82612411 0.35147149 0.26004242
-0.01413278 0.26955770 0.22447564
0.03746653 0.17236218 0.18567250
0.14719938 0.17191181 0.19587719
0.04456618 0.36556732 0.27411269
0.15377674 0.36420037 0.28217431
0.20784874 0.26809426 0.24372331
0.32807195 0.27418305 0.25282174
0.35026245 0.38358359 0.17595211
0.42180653 0.47829447 0.20620696
0.44289462 0.57429142 0.13403310
0.29923752 0.38909326 0.07009430
0.31975952 0.48335329 -0.00316324
0.39292585 0.57577926 0.02887658
0.49798845 0.74112437 -0.02572340
0.48584426 0.87192902 -0.02054564
0.57572425 0.94530936 -0.00238276
0.59825708 0.68289436 -0.01391241
0.68725100 0.75726357 0.00493270
0.67636268 0.88833837 0.01113357
0.38048982 0.29301489 0.36706891
0.37651916 0.15022423 0.22445074
0.15776246 0.89131696 0.00122810
0.06302771 0.71274404 -0.05110738
0.99462283 0.82923233 0.91014494
0.89335563 0.83870414 0.85014973
0.84797933 0.96169618 0.82307408
0.71051372 0.89374107 0.69296278
0.61338213 0.83850694 0.69660057
0.57484807 0.74729806 0.62751246
0.63616607 0.71372927 0.55712180
0.62240590 0.61332996 0.48245688
0.78084422 0.71505354 0.47315361
0.73132724 0.77299938 0.55252080
0.77036625 0.86435647 0.61892735
0.90200394 0.06954146 0.85782414
0.00454841 0.05746513 0.91801114
0.05062000 0.93588003 0.94283958
0.80060269 0.20948565 0.37862834
0.72306303 0.36702511 0.47865583
0.76229971 0.66698291 0.24810989
0.83883148 0.50863782 0.14839545
0.18515201 0.09477756 0.16466884
-0.00865646 0.09685180 0.14852795
0.00641049 0.44135322 0.30621173
0.19729728 0.44169651 0.31931867
0.49824308 0.64745475 0.15988164
0.46228651 0.47972245 0.28757179
0.24091525 0.31878508 0.04433747
0.27882494 0.48681316 0.91525081
0.56653632 0.04741437 0.00256592
0.40692494 0.91433793 -0.02814303
0.60564088 0.58041937 0.98238893
0.76577298 0.71237552 0.01451977
0.46693599 0.29125117 0.37755909
0.35876131 0.21543862 0.41888660
0.35656369 0.38328032 0.39333041
0.46244931 0.15950610 0.23271913
0.34448723 0.12831583 0.14399249
0.36271349 0.06915573 0.27773842
0.85165564 0.75411973 0.82536582
0.57025095 0.86485271 0.75586735
0.50079426 0.70101757 0.63109805
0.84530869 0.90878578 0.61586089
0.86277733 0.16265142 0.83609902
0.04716122 0.14133672 0.94393294
0.22236426 0.70098323 0.03509819
0.74619687 0.94577960 0.02656894
0.87631551 0.26365969 0.21106426
0.40763770 0.66993399 0.95310671
0.23277146 0.95356833 0.03955019
0.04268328 0.60158835 -0.06334753
0.74672010 0.98163720 0.76441888
0.55126831 0.53822383 0.46462340
0.86401880 0.74022192 0.44670701
0.15787553 0.75825956 0.00292730
0.71188755 0.61847806 0.43471631
No title
1
12.851608 0.057593 -1.302896
0.166120 10.555803 0.342058
-1.300311 0.631162 12.991348
C H O N
43 30 7 2
Direct configuration= 530
0.74075676 0.52664730 0.37052509
0.74791665 0.39773024 0.40629125
0.79069386 0.30986679 0.35087202
0.77011785 0.56678208 0.27612467
0.81237436 0.47866458 0.22040578
0.82602602 0.35153157 0.26011323
-0.01415517 0.26943295 0.22461806
0.03737618 0.17217339 0.18583903
0.14721585 0.17166198 0.19603802
0.04452591 0.36541790 0.27413769
0.15384668 0.36402676 0.28218924
0.20786855 0.26787277 0.24378315
0.32810685 0.27394366 0.25281237
0.35027785 0.38332406 0.17597948
0.42174881 0.47812795 0.20629250
0.44288861 0.57421940 0.13410568
0.29933988 0.38899540 0.07009726
0.31990660 0.48332793 -0.00312561
0.39302020 0.57581276 0.02891287
0.49802805 0.74124709 -0.02562408
0.48582739 0.87198493 -0.02040748
0.57573529 0.94541007 -0.00230237
0.59834863 0.68315207 -0.01384769
0.68732356 0.75756101 0.00500510
0.67641415 0.88856134 0.01125398
0.38065275 0.29261538 0.36710338
0.37650652 0.15006500 0.22432357
0.15783673 0.89128904 0.00118067
0.06303756 0.71284492 -0.05113643
0.99464398 0.82931468 0.91006460
0.89335065 0.83884200 0.85006763
0.84799907 0.96187845 0.82293413
0.71051844 0.89386012 0.69280578
0.61337731 0.83860744 0.69656747
0.57476842 0.74743209 0.62751489
0.63608367 0.71387102 0.55711111
0.62229073 0.61347562 0.48249191
0.78073969 0.71517073 0.47297500
0.73126219 0.77308532 0.55238720
0.77037957 0.86447786 0.61872601
0.90206188 0.06960192 0.85765350
0.00459210 0.05750449 0.91795574
0.05066287 0.93588559 0.94276858
0.80048146 0.20962773 0.37886807
0.72291365 0.36723001 0.47880403
0.76219660 0.66687381 0.24793401
0.83877417 0.50852885 0.14829879
0.18516994 0.09452328 0.16494360
-0.00870479 0.09670989 0.14877783
0.00639081 0.44131986 0.30608373
0.19732306 0.44157291 0.31920590
0.49821067 0.64738682 0.16005229
0.46217046 0.47953032 0.28770536
0.24098760 0.31868269 0.04427872
0.27897798 0.48688223 0.91521952
0.56644048 0.04752462 0.00268035
0.40685757 0.91436925 -0.02800688
0.60574505 0.58064820 0.98247093
0.76589422 0.71271500 0.01455307
0.46709465 0.29088588 0.37748177
0.35900843 0.21500075 0.41895242
0.35674088 0.38282133 0.39345191
0.46252525 0.15925813 0.23264463
0.34447031 0.12830668 0.14381771
0.36267669 0.06888870 0.27757723
0.85157442 0.75425821 0.82532303
0.57024532 0.86495904 0.75588506
0.50068209 0.70116737 0.63115940
0.84534464 0.90880227 0.61564387
0.86291817 0.16265319 0.83581905
0.04720912 0.14128268 0.94394409
0.22239095 0.70102423 0.03506356
0.74612634 0.94597535 0.02665983
0.87624072 0.26359600 0.21115514
0.40768244 0.67002225 0.95323714
0.23275955 0.95357828 0.03952786
0.04266784 0.60168165 -0.06337743
0.74674033 0.98186150 0.76416095
0.55114910 0.53825526 0.46476359
0.86394572 0.74035155 0.44638439
0.15788121 0.75827969 0.00289116
0.71184973 0.61858894 0.43463739
No title
1
12.848139 0.056891 -1.300440
0.165739 10.558177 0.343890
-1.297885 0.633683 12.987773
C H O N
43 30 7 2
Direct configuration= 531
0.74071188 0.52668877 0.37050193
0.74782441 0.39788069 0.40633536
0.79061147 0.30998984 0.35096561
0.77005359 0.56676434 0.27604871
0.81233188 0.47867420 0.22034420
0.82598091 0.35155793 0.26019042
-0.01416297 0.26931959 0.22469658
0.03734839 0.17207445 0.18600514
0.14719786 0.17149248 0.19616355
0.04456568 0.36526955 0.27415485
0.15384168 0.36389424 0.28219173
0.20786983 0.26770761 0.24383928
0.32815976 0.27374550 0.25282902
0.35032947 0.38312682 0.17601834
0.42168474 0.47799711 0.20635308
0.44290180 0.57417550 0.13417868
0.29940738 0.38894667 0.07009210
0.32000533 0.48330171 -0.00312644
0.39306879 0.57579235 0.02899237
0.49808190 0.74134047 -0.02555159
0.48583184 0.87201567 -0.02031373
0.57570018 0.94552752 -0.00223272
0.59840228 0.68335187 -0.01377618
0.68741340 0.75774787 0.00505079
0.67644734 0.88869031 0.01133169
0.38073687 0.29234300 0.36712938
0.37656306 0.14995058 0.22428481
0.15783205 0.89126085 0.00109604
0.06303006 0.71288743 -0.05117731
0.99466531 0.82935095 0.91000003
0.89332323 0.83895053 0.84999840
0.84800825 0.96195672 0.82282258
0.71052884 0.89397153 0.69270563
0.61333373 0.83867387 0.69654294
0.57473459 0.74754585 0.62754336
0.63604221 0.71398449 0.55707873
0.62217576 0.61351636 0.48251639
0.78069190 0.71522747 0.47282654
0.73120284 0.77316599 0.55228374
0.77037109 0.86455765 0.61857072
0.90211841 0.06963418 0.85752973
0.00466501 0.05752570 0.91791224
0.05073485 0.93593414 0.94274284
0.80039227 0.20973070 0.37905934
0.72279323 0.36736112 0.47895142
0.76212197 0.66681472 0.24778654
0.83872828 0.50844688 0.14823454
0.18518351 0.09433695 0.16515486
-0.00876631 0.09658650 0.14895605
0.00636271 0.44132168 0.30599954
0.19734646 0.44146600 0.31911732
0.49819343 0.64732808 0.16018641
0.46209251 0.47938762 0.28781131
0.24105382 0.31861220 0.04422454
0.27910833 0.48693186 0.91518990
0.56638217 0.04757090 0.00276609
0.40679593 0.91439311 -0.02790600
0.60582443 0.58085105 0.98251981
0.76594940 0.71299651 0.01457838
0.46724679 0.29060615 0.37742193
0.35919247 0.21465654 0.41901904
0.35687999 0.38243160 0.39353272
0.46251976 0.15906668 0.23257780
0.34444763 0.12828704 0.14365456
0.36264403 0.06870375 0.27742632
0.85150258 0.75438494 0.82528211
0.57026050 0.86505011 0.75589265
0.50058208 0.70129022 0.63121521
0.84539012 0.90881884 0.61547718
0.86300469 0.16269008 0.83559310
0.04722275 0.14120430 0.94394193
0.22238384 0.70104259 0.03502200
0.74611332 0.94615672 0.02673118
0.87616810 0.26356846 0.21123524
0.40772374 0.67013186 0.95331175
0.23277898 0.95358403 0.03952657
0.04266984 0.60180156 -0.06338436
0.74676469 0.98202954 0.76395884
0.55110691 0.53834219 0.46488680
0.86385303 0.74045293 0.44615657
0.15789010 0.75830145 0.00286899
0.71177133 0.61867424 0.43458936
No title
1
12.844160 0.056085 -1.297622
0.165301 10.560899 0.345992
-1.295102 0.636576 12.983671
C H O N
43 30 7 2
Direct configuration= 532
0.74066040 0.52673634 0.37047534
0.74771856 0.39805325 0.40638597
0.79051691 0.31013096 0.35107300
0.76997985 0.56674401 0.27596155
0.81228314 0.47868525 0.22027353
0.82592914 0.35158813 0.26027901
-0.01417194 0.26918953 0.22478670
0.03731647 0.17196091 0.18619579
0.14717720 0.17129803 0.19630762
0.04461132 0.36509938 0.27417456
0.15383595 0.36374224 0.28219461
0.20787128 0.26751815 0.24390372
0.32822046 0.27351821 0.25284815
0.35038870 0.38290057 0.17606296
0.42161120 0.47784702 0.20642262
0.44291692 0.57412511 0.13426247
0.29948483 0.38889079 0.07008617
0.32011862 0.48327165 -0.00312741
0.39312454 0.57576892 0.02908360
0.49814369 0.74144757 -0.02546843
0.48583693 0.87205090 -0.02020615
0.57565988 0.94566221 -0.00215279
0.59846384 0.68358104 -0.01369414
0.68751651 0.75796220 0.00510317
0.67648542 0.88883822 0.01142085
0.38083341 0.29203056 0.36715925
0.37662794 0.14981935 0.22424034
0.15782669 0.89122855 0.00099892
0.06302145 0.71293620 -0.05122423
0.99468981 0.82939257 0.90992591
0.89329178 0.83907504 0.84991893
0.84801881 0.96204654 0.82269456
0.71054080 0.89409936 0.69259068
0.61328373 0.83875006 0.69651478
0.57469576 0.74767633 0.62757602
0.63599465 0.71411466 0.55704157
0.62204382 0.61356308 0.48254449
0.78063709 0.71529259 0.47265616
0.73113476 0.77325854 0.55216500
0.77036140 0.86464922 0.61839250
0.90218330 0.06967122 0.85738767
0.00474868 0.05755006 0.91786230
0.05081746 0.93598984 0.94271329
0.80028988 0.20984875 0.37927884
0.72265501 0.36751146 0.47912057
0.76203636 0.66674698 0.24761733
0.83867563 0.50835286 0.14816083
0.18519905 0.09412317 0.16539733
-0.00883693 0.09644490 0.14916060
0.00633048 0.44132379 0.30590293
0.19737333 0.44134340 0.31901567
0.49817363 0.64726066 0.16034034
0.46200304 0.47922391 0.28793294
0.24112982 0.31853136 0.04416236
0.27925792 0.48698882 0.91515588
0.56631524 0.04762395 0.00286448
0.40672516 0.91442045 -0.02779022
0.60591552 0.58108372 0.98257585
0.76601273 0.71331940 0.01460736
0.46742139 0.29028531 0.37735327
0.35940366 0.21426171 0.41909551
0.35703960 0.38198456 0.39362548
0.46251346 0.15884709 0.23250114
0.34442164 0.12826456 0.14346734
0.36260658 0.06849165 0.27725317
0.85142015 0.75453031 0.82523514
0.57027791 0.86515457 0.75590134
0.50046731 0.70143111 0.63127925
0.84544234 0.90883790 0.61528588
0.86310403 0.16273246 0.83533378
0.04723839 0.14111441 0.94393945
0.22237569 0.70106366 0.03497431
0.74609837 0.94636474 0.02681303
0.87608474 0.26353683 0.21132719
0.40777112 0.67025755 0.95339735
0.23280128 0.95359063 0.03952509
0.04267214 0.60193911 -0.06339234
0.74679268 0.98222235 0.76372688
0.55105846 0.53844187 0.46502819
0.86374669 0.74056928 0.44589513
0.15790031 0.75832641 0.00284353
0.71168138 0.61877208 0.43453425
No title
1
12.840345 0.055434 -1.294957
0.164989 10.563536 0.348091
-1.292458 0.639438 12.979815
C H O N
43 30 7 2
Direct configuration= 533
0.74060333 0.52684883 0.37045270
0.74759180 0.39818302 0.40649218
0.79042442 0.31020798 0.35117643
0.76991259 0.56669541 0.27585065
0.81222374 0.47864849 0.22023684
0.82591452 0.35162037 0.26034576
-0.01421359 0.26907345 0.22485814
0.03730921 0.17181024 0.18638149
0.14714936 0.17114895 0.19646575
0.04463502 0.36498391 0.27421558
0.15383958 0.36359473 0.28219256
0.20787530 0.26732095 0.24397356
0.32829212 0.27327164 0.25290192
0.35047539 0.38272083 0.17609691
0.42156149 0.47772211 0.20650497
0.44293351 0.57404345 0.13440114
0.29953679 0.38881372 0.07006777
0.32021215 0.48324406 -0.00315169
0.39316412 0.57574073 0.02918291
0.49819419 0.74156229 -0.02538865
0.48582350 0.87213858 -0.02011759
0.57561001 0.94576509 -0.00205789
0.59855551 0.68375162 -0.01359103
0.68759149 0.75817055 0.00514536
0.67648010 0.88897308 0.01148419
0.38094499 0.29170104 0.36718796
0.37666078 0.14967032 0.22416151
0.15786629 0.89126073 0.00093352
0.06301372 0.71303587 -0.05128129
0.99469734 0.82947301 0.90984350
0.89326649 0.83916208 0.84985050
0.84802736 0.96210575 0.82255776
0.71052525 0.89421575 0.69247405
0.61325919 0.83886742 0.69649807
0.57464356 0.74777363 0.62761457
0.63592947 0.71422657 0.55699247
0.62201437 0.61367286 0.48259637
0.78054913 0.71532803 0.47250617
0.73109228 0.77336663 0.55203269
0.77033128 0.86473416 0.61822986
0.90227767 0.06969824 0.85726443
0.00481725 0.05751546 0.91778324
0.05087386 0.93602090 0.94266717
0.80018760 0.21000224 0.37949069
0.72252881 0.36765989 0.47927097
0.76195457 0.66671323 0.24743668
0.83863281 0.50827777 0.14806296
0.18521190 0.09391284 0.16563094
-0.00891727 0.09631690 0.14936370
0.00631405 0.44129392 0.30580146
0.19740070 0.44120489 0.31891204
0.49816200 0.64719032 0.16049553
0.46191539 0.47906466 0.28803876
0.24123119 0.31847774 0.04409750
0.27941943 0.48704040 0.91511860
0.56626095 0.04766473 0.00296042
0.40667541 0.91442352 -0.02767658
0.60600428 0.58136170 0.98261821
0.76608628 0.71362850 0.01464154
0.46758735 0.28997272 0.37728071
0.35960198 0.21386819 0.41918270
0.35718473 0.38155027 0.39371760
0.46250468 0.15863857 0.23242154
0.34441729 0.12824984 0.14331984
0.36256517 0.06829332 0.27706810
0.85133470 0.75470553 0.82518209
0.57029862 0.86527175 0.75591698
0.50036806 0.70159299 0.63135127
0.84550503 0.90885922 0.61509104
0.86318517 0.16280150 0.83507263
0.04725866 0.14104382 0.94393827
0.22235622 0.70106470 0.03492042
0.74614128 0.94660833 0.02689850
0.87600627 0.26353673 0.21143764
0.40781772 0.67039236 0.95346803
0.23279161 0.95353279 0.03950105
0.04266919 0.60202906 -0.06339546
0.74683965 0.98239935 0.76350956
0.55095231 0.53849341 0.46515928
0.86365947 0.74069660 0.44563929
0.15789966 0.75836898 0.00280985
0.71154749 0.61883631 0.43447022
No title
1
12.834766 0.054481 -1.291058
0.164532 10.567393 0.351161
-1.288589 0.643625 12.974173
C H O N
43 30 7 2
Direct configuration= 534
0.74051984 0.52701335 0.37041955
0.74740629 0.39837275 0.40664760
0.79028906 0.31032059 0.35132780
0.76981418 0.56662436 0.27568840
0.81213683 0.47859474 0.22018317
0.82589311 0.35166749 0.26044343
-0.01427457 0.26890363 0.22496271
0.03729853 0.17158979 0.18665325
0.14710856 0.17093085 0.19669719
0.04466969 0.36481501 0.27427562
0.15384490 0.36337900 0.28218959
0.20788117 0.26703250 0.24407579
0.32839695 0.27291101 0.25298064
0.35060223 0.38245794 0.17614660
0.42148874 0.47753940 0.20662552
0.44295775 0.57392395 0.13460408
0.29961283 0.38870101 0.07004086
0.32034900 0.48320372 -0.00318723
0.39322201 0.57569947 0.02932823
0.49826808 0.74173004 -0.02527195
0.48580382 0.87226678 -0.01998802
0.57553701 0.94591552 -0.00191904
0.59868963 0.68400108 -0.01344020
0.68770120 0.75847525 0.00520703
0.67647230 0.88917028 0.01157684
0.38110826 0.29121910 0.36723001
0.37670885 0.14945240 0.22404617
0.15792424 0.89130784 0.00083779
0.06300241 0.71318166 -0.05136480
0.99470838 0.82959068 0.90972289
0.89322950 0.83928940 0.84975036
0.84803991 0.96219239 0.82235757
0.71050252 0.89438602 0.69230336
0.61322329 0.83903908 0.69647360
0.57456717 0.74791590 0.62767096
0.63583409 0.71439027 0.55692063
0.62197127 0.61383339 0.48267228
0.78042044 0.71537990 0.47228671
0.73103016 0.77352478 0.55183906
0.77028724 0.86485844 0.61799185
0.90241580 0.06973783 0.85708406
0.00491761 0.05746489 0.91766754
0.05095641 0.93606636 0.94259966
0.80003789 0.21022663 0.37980070
0.72234410 0.36787689 0.47949105
0.76183494 0.66666395 0.24717236
0.83857017 0.50816799 0.14791977
0.18523065 0.09360513 0.16597283
-0.00903488 0.09612962 0.14966095
0.00629002 0.44125026 0.30565298
0.19744078 0.44100235 0.31876044
0.49814496 0.64708737 0.16072263
0.46178709 0.47883170 0.28819367
0.24137954 0.31839937 0.04400257
0.27965577 0.48711588 0.91506398
0.56618149 0.04772432 0.00310081
0.40660257 0.91442795 -0.02751029
0.60613415 0.58176825 0.98268011
0.76619392 0.71408057 0.01469147
0.46783021 0.28951558 0.37717455
0.35989216 0.21329265 0.41931032
0.35739707 0.38091508 0.39385245
0.46249186 0.15833363 0.23230510
0.34441097 0.12822836 0.14310402
0.36250460 0.06800334 0.27679734
0.85120969 0.75496181 0.82510444
0.57032892 0.86544313 0.75593983
0.50022282 0.70182970 0.63145665
0.84559682 0.90889049 0.61480591
0.86330397 0.16290260 0.83469045
0.04728832 0.14094058 0.94393655
0.22232776 0.70106624 0.03484157
0.74620405 0.94696456 0.02702351
0.87589142 0.26353652 0.21159929
0.40788589 0.67058949 0.95357141
0.23277748 0.95344819 0.03946590
0.04266488 0.60216061 -0.06340005
0.74690843 0.98265833 0.76319151
0.55079696 0.53856872 0.46535112
0.86353190 0.74088292 0.44526493
0.15789872 0.75843127 0.00276056
0.71135158 0.61893025 0.43437655
No title
1
12.831304 0.053781 -1.288484
0.164184 10.570065 0.353286
-1.286065 0.646525 12.970416
C H O N
43 30 7 2
Direct configuration= 535
0.74044033 0.52709827 0.37041269
0.74729396 0.39845974 0.40675137
0.79018818 0.31041159 0.35144780
0.76973829 0.56663292 0.27557823
0.81209111 0.47851783 0.22013951
0.82588007 0.35168646 0.26051516
-0.01432251 0.26883215 0.22504326
0.03724322 0.17140145 0.18680954
0.14712297 0.17076861 0.19685515
0.04462235 0.36473287 0.27430819
0.15388831 0.36323524 0.28218847
0.20791121 0.26684763 0.24416032
0.32845334 0.27267110 0.25302762
0.35066621 0.38230594 0.17614877
0.42148431 0.47743067 0.20673851
0.44295773 0.57383816 0.13474458
0.29967905 0.38861921 0.07002982
0.32043763 0.48318061 -0.00318902
0.39326474 0.57570893 0.02940236
0.49830558 0.74186007 -0.02519103
0.48576572 0.87236570 -0.01991534
0.57550825 0.94597369 -0.00181441
0.59878527 0.68416928 -0.01333571
0.68773111 0.75868801 0.00524504
0.67648164 0.88936149 0.01163155
0.38126595 0.29084444 0.36727402
0.37667000 0.14929181 0.22391294
0.15793982 0.89131361 0.00078424
0.06299722 0.71327483 -0.05142289
0.99470650 0.82969820 0.90964087
0.89321885 0.83936287 0.84969095
0.84807057 0.96227225 0.82222782
0.71047163 0.89449138 0.69217893
0.61322354 0.83917558 0.69645306
0.57451201 0.74799478 0.62770062
0.63575421 0.71450442 0.55689518
0.62189942 0.61388279 0.48270725
0.78034705 0.71544268 0.47214745
0.73099205 0.77362483 0.55170122
0.77027741 0.86494973 0.61784279
0.90247956 0.06977246 0.85694308
0.00496615 0.05742734 0.91757260
0.05096863 0.93604196 0.94251902
0.79993890 0.21038194 0.38000560
0.72222536 0.36802546 0.47962566
0.76176012 0.66662599 0.24698918
0.83853087 0.50810305 0.14781442
0.18523098 0.09341705 0.16620144
-0.00910639 0.09602501 0.14986896
0.00628915 0.44119262 0.30555184
0.19747222 0.44085875 0.31866040
0.49813630 0.64701305 0.16087780
0.46170245 0.47867533 0.28829178
0.24148579 0.31834921 0.04393440
0.27981530 0.48716350 0.91501075
0.56613435 0.04777582 0.00319586
0.40656473 0.91441491 -0.02740145
0.60622616 0.58202908 0.98271368
0.76630283 0.71435890 0.01473138
0.46796477 0.28921556 0.37709946
0.36007870 0.21291408 0.41939749
0.35752138 0.38052138 0.39394964
0.46252534 0.15814036 0.23222756
0.34443032 0.12822817 0.14300392
0.36245944 0.06779878 0.27662257
0.85112213 0.75513623 0.82504621
0.57033959 0.86557242 0.75597126
0.50014003 0.70200095 0.63153569
0.84563824 0.90890220 0.61461167
0.86339248 0.16294876 0.83444787
0.04731842 0.14089069 0.94393455
0.22230471 0.70105396 0.03478625
0.74624248 0.94718891 0.02709903
0.87583990 0.26353959 0.21170699
0.40792095 0.67068433 0.95365878
0.23281904 0.95340705 0.03945911
0.04265877 0.60225051 -0.06340131
0.74696371 0.98281235 0.76299082
0.55072645 0.53866475 0.46549745
0.86342776 0.74099070 0.44502232
0.15788825 0.75848579 0.00271443
0.71123570 0.61900134 0.43430205
No title
1
12.824696 0.052444 -1.283569
0.163520 10.575166 0.357344
-1.281246 0.652062 12.963244
C H O N
43 30 7 2
Direct configuration= 536
0.74028852 0.52726033 0.37039957
0.74707943 0.39862569 0.40694954
0.78999551 0.31058520 0.35167697
0.76959340 0.56664931 0.27536788
0.81200382 0.47837106 0.22005619
0.82585516 0.35172263 0.26065213
-0.01441408 0.26869568 0.22519712
0.03713754 0.17104188 0.18710806
0.14715043 0.17045887 0.19715685
0.04453195 0.36457607 0.27437042
0.15397122 0.36296085 0.28218634
0.20796854 0.26649473 0.24432179
0.32856100 0.27221318 0.25311737
0.35078838 0.38201582 0.17615293
0.42147581 0.47722310 0.20695433
0.44295764 0.57367434 0.13501292
0.29980551 0.38846309 0.07000873
0.32060688 0.48313651 -0.00319244
0.39334629 0.57572695 0.02954391
0.49837717 0.74210819 -0.02503657
0.48569294 0.87255446 -0.01977656
0.57545331 0.94608465 -0.00161463
0.59896787 0.68449028 -0.01313625
0.68778822 0.75909408 0.00531756
0.67649945 0.88972640 0.01173596
0.38156704 0.29012934 0.36735813
0.37659584 0.14898538 0.22365858
0.15796958 0.89132465 0.00068198
0.06298734 0.71345268 -0.05153386
0.99470295 0.82990344 0.90948420
0.89319853 0.83950312 0.84957750
0.84812917 0.96242475 0.82198001
0.71041269 0.89469252 0.69194130
0.61322404 0.83943614 0.69641379
0.57440668 0.74814530 0.62775724
0.63560167 0.71472228 0.55684657
0.62176221 0.61397705 0.48277404
0.78020696 0.71556258 0.47188152
0.73091932 0.77381585 0.55143798
0.77025868 0.86512403 0.61755813
0.90260138 0.06983866 0.85667382
0.00505888 0.05735574 0.91739130
0.05099199 0.93599545 0.94236505
0.79974981 0.21067823 0.38039689
0.72199858 0.36830894 0.47988270
0.76161731 0.66655363 0.24663943
0.83845586 0.50797915 0.14761328
0.18523154 0.09305796 0.16663806
-0.00924300 0.09582524 0.15026624
0.00628753 0.44108264 0.30535872
0.19753229 0.44058473 0.31846940
0.49811973 0.64687111 0.16117414
0.46154078 0.47837682 0.28847919
0.24168869 0.31825355 0.04380421
0.28011995 0.48725443 0.91490904
0.56604430 0.04787406 0.00337738
0.40649245 0.91438994 -0.02719359
0.60640184 0.58252690 0.98277768
0.76651080 0.71489010 0.01480747
0.46822172 0.28864299 0.37695612
0.36043486 0.21219152 0.41956399
0.35775873 0.37976991 0.39413530
0.46258929 0.15777151 0.23207953
0.34446730 0.12822786 0.14281277
0.36237325 0.06740844 0.27628889
0.85095494 0.75546916 0.82493498
0.57035997 0.86581917 0.75603123
0.49998192 0.70232774 0.63168660
0.84571738 0.90892468 0.61424072
0.86356158 0.16303702 0.83398458
0.04737589 0.14079547 0.94393074
0.22226072 0.70103055 0.03468062
0.74631585 0.94761708 0.02724318
0.87574147 0.26354539 0.21191267
0.40798786 0.67086532 0.95382560
0.23289842 0.95332853 0.03944613
0.04264710 0.60242211 -0.06340375
0.74706935 0.98310644 0.76260750
0.55059176 0.53884794 0.46577689
0.86322898 0.74119655 0.44455903
0.15786827 0.75858989 0.00262634
0.71101443 0.61913705 0.43415982
No title
1
12.821196 0.051682 -1.280660
0.163161 10.578451 0.359801
-1.278438 0.655421 12.958946
C H O N
43 30 7 2
Direct configuration= 537
0.74017249 0.52726335 0.37037045
0.74698463 0.39872305 0.40701240
0.78988118 0.31073765 0.35183264
0.76949625 0.56666534 0.27528629
0.81196324 0.47833191 0.21997876
0.82579861 0.35170611 0.26077229
-0.01444301 0.26862563 0.22529983
0.03708245 0.17090355 0.18729497
0.14714117 0.17023231 0.19732962
0.04451919 0.36444706 0.27435480
0.15396782 0.36279439 0.28218248
0.20804451 0.26631098 0.24444389
0.32860207 0.27196763 0.25310997
0.35082948 0.38186853 0.17616804
0.42148457 0.47706842 0.20706652
0.44294253 0.57363379 0.13512220
0.29992978 0.38838169 0.07000445
0.32071674 0.48315319 -0.00316298
0.39339753 0.57575981 0.02960962
0.49839763 0.74226798 -0.02493457
0.48565753 0.87259543 -0.01970589
0.57545020 0.94618153 -0.00148764
0.59900411 0.68473829 -0.01304135
0.68786015 0.75937002 0.00538324
0.67656076 0.88999147 0.01180053
0.38175685 0.28969361 0.36743053
0.37655381 0.14882111 0.22352884
0.15798469 0.89130201 0.00065715
0.06296468 0.71351106 -0.05160367
0.99468318 0.82993624 0.90939053
0.89317977 0.83963505 0.84949813
0.84818850 0.96253302 0.82183211
0.71042748 0.89483262 0.69179396
0.61318994 0.83956509 0.69637673
0.57437289 0.74827905 0.62779759
0.63552203 0.71484423 0.55683629
0.62165430 0.61404461 0.48281179
0.78011701 0.71568500 0.47172810
0.73085184 0.77392618 0.55131849
0.77026953 0.86520217 0.61737111
0.90261852 0.06989847 0.85647448
0.00509202 0.05736842 0.91727720
0.05098393 0.93599081 0.94224283
0.79964176 0.21082954 0.38062868
0.72186460 0.36847200 0.48003263
0.76154015 0.66651408 0.24641763
0.83841023 0.50789936 0.14750074
0.18522668 0.09285570 0.16688755
-0.00933622 0.09568688 0.15049248
0.00627401 0.44104131 0.30527261
0.19759276 0.44043721 0.31837255
0.49810205 0.64676929 0.16135049
0.46147230 0.47819700 0.28863452
0.24180312 0.31817553 0.04372068
0.28030262 0.48730147 0.91483848
0.56599818 0.04792647 0.00348766
0.40642432 0.91438237 -0.02708006
0.60652156 0.58275070 0.98280966
0.76664724 0.71518806 0.01485475
0.46836831 0.28830872 0.37687387
0.36063682 0.21176571 0.41966603
0.35788818 0.37932591 0.39424412
0.46264403 0.15756241 0.23198288
0.34448475 0.12823243 0.14268016
0.36230970 0.06714695 0.27611113
0.85085343 0.75564144 0.82486157
0.57036451 0.86598214 0.75607836
0.49989370 0.70251903 0.63179209
0.84572865 0.90893065 0.61402073
0.86368471 0.16303779 0.83374196
0.04741672 0.14073365 0.94391396
0.22221773 0.70102084 0.03461010
0.74631988 0.94782344 0.02730718
0.87570641 0.26352714 0.21202163
0.40802081 0.67092230 0.95395406
0.23298315 0.95328969 0.03944298
0.04263994 0.60258099 -0.06340434
0.74713060 0.98324266 0.76240063
0.55049335 0.53893960 0.46594968
0.86311357 0.74128753 0.44428842
0.15787434 0.75862902 0.00256802
0.71093513 0.61925725 0.43407810
No title
1
12.816271 0.050610 -1.276566
0.162655 10.583075 0.363258
-1.274487 0.660149 12.952897
C H O N
43 30 7 2
Direct configuration= 538
0.74000916 0.52726758 0.37032948
0.74685117 0.39885999 0.40710091
0.78972018 0.31095205 0.35205180
0.76935952 0.56668793 0.27517146
0.81190612 0.47827686 0.21986977
0.82571897 0.35168281 0.26094146
-0.01448376 0.26852702 0.22544445
0.03700485 0.17070884 0.18755816
0.14712808 0.16991347 0.19757292
0.04450123 0.36426555 0.27433285
0.15396303 0.36256018 0.28217710
0.20815142 0.26605240 0.24461581
0.32865988 0.27162216 0.25309960
0.35088735 0.38166128 0.17618933
0.42149686 0.47685075 0.20722450
0.44292123 0.57357669 0.13527605
0.30010473 0.38826717 0.06999841
0.32087137 0.48317664 -0.00312153
0.39346964 0.57580601 0.02970211
0.49842640 0.74249276 -0.02479101
0.48560767 0.87265302 -0.01960640
0.57544578 0.94631778 -0.00130890
0.59905511 0.68508718 -0.01290782
0.68796140 0.75975825 0.00547561
0.67664706 0.89036440 0.01189134
0.38202401 0.28908056 0.36753252
0.37649467 0.14859005 0.22334625
0.15800597 0.89127018 0.00062219
0.06293280 0.71359322 -0.05170195
0.99465537 0.82998242 0.90925866
0.89315338 0.83982070 0.84938636
0.84827206 0.96268542 0.82162386
0.71044835 0.89502981 0.69158649
0.61314196 0.83974652 0.69632454
0.57432531 0.74846721 0.62785437
0.63540992 0.71501580 0.55682180
0.62150237 0.61413963 0.48286496
0.77999043 0.71585729 0.47151210
0.73075689 0.77408144 0.55115025
0.77028485 0.86531220 0.61710779
0.90264272 0.06998272 0.85619384
0.00513869 0.05738632 0.91711654
0.05097261 0.93598433 0.94207078
0.79948960 0.21104231 0.38095500
0.72167595 0.36870133 0.48024369
0.76143159 0.66645854 0.24610541
0.83834603 0.50778714 0.14734233
0.18521977 0.09257100 0.16723885
-0.00946750 0.09549211 0.15081106
0.00625500 0.44098321 0.30515138
0.19767792 0.44022971 0.31823621
0.49807711 0.64662595 0.16159880
0.46137584 0.47794393 0.28885326
0.24196422 0.31806580 0.04360307
0.28055980 0.48736772 0.91473908
0.56593323 0.04800015 0.00364291
0.40632839 0.91437166 -0.02692021
0.60669009 0.58306558 0.98285458
0.76683930 0.71560727 0.01492121
0.46857467 0.28783847 0.37675812
0.36092110 0.21116659 0.41980973
0.35807037 0.37870118 0.39439739
0.46272110 0.15726826 0.23184685
0.34450934 0.12823893 0.14249347
0.36222027 0.06677910 0.27586096
0.85071055 0.75588385 0.82475819
0.57037089 0.86621142 0.75614466
0.49976949 0.70278809 0.63194057
0.84574455 0.90893914 0.61371102
0.86385811 0.16303900 0.83340036
0.04747419 0.14064668 0.94389034
0.22215723 0.70100720 0.03451083
0.74632554 0.94811374 0.02739723
0.87565703 0.26350139 0.21217504
0.40806718 0.67100242 0.95413489
0.23310242 0.95323506 0.03943852
0.04262986 0.60280453 -0.06340521
0.74721686 0.98343441 0.76210934
0.55035478 0.53906847 0.46619296
0.86295119 0.74141565 0.44390746
0.15788290 0.75868411 0.00248591
0.71082351 0.61942640 0.43396304
No title
1
12.812447 0.049589 -1.273430
0.162102 10.586990 0.365922
-1.271493 0.663843 12.947993
C H O N
43 30 7 2
Direct configuration= 539
0.73986150 0.52730440 0.37026610
0.74672213 0.39899486 0.40721648
0.78963676 0.31101800 0.35222633
0.76927259 0.56663581 0.27507486
0.81183653 0.47827138 0.21984225
0.82563246 0.35171144 0.26102566
-0.01450580 0.26841046 0.22555279
0.03697573 0.17060075 0.18776695
0.14709461 0.16970888 0.19779990
0.04452079 0.36416584 0.27430152
0.15397739 0.36238282 0.28218566
0.20818386 0.26580715 0.24473386
0.32871303 0.27137662 0.25307606
0.35093253 0.38151101 0.17625751
0.42150498 0.47666676 0.20730596
0.44289273 0.57354965 0.13537689
0.30025086 0.38816950 0.06997643
0.32098593 0.48323788 -0.00311562
0.39352826 0.57583298 0.02979425
0.49840240 0.74261805 -0.02467107
0.48560209 0.87272707 -0.01951495
0.57543853 0.94644620 -0.00117938
0.59911026 0.68536126 -0.01282158
0.68807788 0.76008533 0.00556914
0.67669090 0.89060475 0.01195755
0.38216786 0.28865859 0.36759680
0.37652856 0.14842010 0.22326980
0.15808284 0.89127485 0.00063975
0.06291576 0.71374457 -0.05176028
0.99463278 0.82996153 0.90915857
0.89311040 0.83995926 0.84927184
0.84831867 0.96281559 0.82143568
0.71048991 0.89517900 0.69142021
0.61311519 0.83991363 0.69629826
0.57426960 0.74864763 0.62791067
0.63534878 0.71512771 0.55680446
0.62141421 0.61429711 0.48291774
0.77986489 0.71600983 0.47133264
0.73066062 0.77418631 0.55103658
0.77027603 0.86537496 0.61690143
0.90269989 0.07003374 0.85598779
0.00513429 0.05741845 0.91697260
0.05097437 0.93602966 0.94193583
0.79936809 0.21121686 0.38120953
0.72153835 0.36888803 0.48037795
0.76134889 0.66641656 0.24585523
0.83830155 0.50769223 0.14720905
0.18521934 0.09232289 0.16749504
-0.00957361 0.09533817 0.15106516
0.00623946 0.44093359 0.30507126
0.19775095 0.44006520 0.31813674
0.49805167 0.64650780 0.16179466
0.46132524 0.47773750 0.28906283
0.24210971 0.31797893 0.04351575
0.28078340 0.48741293 0.91469472
0.56588123 0.04805834 0.00376993
0.40623679 0.91436912 -0.02680321
0.60682919 0.58331665 0.98289148
0.76696898 0.71593956 0.01497047
0.46877108 0.28746411 0.37667754
0.36113903 0.21067782 0.41992993
0.35822060 0.37816143 0.39450925
0.46274547 0.15703815 0.23172383
0.34450522 0.12823920 0.14228531
0.36213676 0.06647622 0.27567512
0.85060752 0.75607859 0.82467584
0.57037796 0.86639965 0.75618678
0.49969189 0.70300231 0.63207334
0.84575408 0.90895601 0.61345874
0.86398488 0.16304951 0.83314363
0.04752569 0.14057098 0.94385223
0.22211436 0.70099312 0.03443608
0.74634358 0.94834762 0.02745841
0.87560457 0.26346799 0.21230620
0.40811193 0.67108179 0.95426096
0.23314263 0.95313478 0.03939836
0.04259608 0.60289718 -0.06342329
0.74727469 0.98354764 0.76189522
0.55019962 0.53911544 0.46637950
0.86285703 0.74151125 0.44360715
0.15788643 0.75872009 0.00240821
0.71073243 0.61954549 0.43388826
No title
1
12.808589 0.048558 -1.270266
0.161543 10.590940 0.368609
-1.268472 0.667569 12.943045
C H O N
43 30 7 2
Direct configuration= 540
0.73971248 0.52734154 0.37020215
0.74659188 0.39913083 0.40733314
0.78955253 0.31108444 0.35240250
0.76918487 0.56658328 0.27497739
0.81176630 0.47826585 0.21981449
0.82554514 0.35174027 0.26111066
-0.01452806 0.26829285 0.22566217
0.03694631 0.17049165 0.18797771
0.14706078 0.16950245 0.19802904
0.04454053 0.36406529 0.27426991
0.15399188 0.36220392 0.28219433
0.20821656 0.26555976 0.24485305
0.32876666 0.27112898 0.25305233
0.35097812 0.38135941 0.17632634
0.42151315 0.47648116 0.20738821
0.44286393 0.57352233 0.13547869
0.30039834 0.38807100 0.06995424
0.32110154 0.48329965 -0.00310970
0.39358741 0.57586015 0.02988723
0.49837815 0.74274438 -0.02455003
0.48559646 0.87280171 -0.01942265
0.57543118 0.94657568 -0.00104867
0.59916591 0.68563768 -0.01273460
0.68819542 0.76041520 0.00566346
0.67673514 0.89084714 0.01202431
0.38231302 0.28823298 0.36766172
0.37656276 0.14824873 0.22319266
0.15816042 0.89127957 0.00065746
0.06289859 0.71389724 -0.05181918
0.99461001 0.82994050 0.90905756
0.89306706 0.84009905 0.84915623
0.84836576 0.96294696 0.82124572
0.71053189 0.89532953 0.69125234
0.61308818 0.84008219 0.69627171
0.57421335 0.74882957 0.62796748
0.63528707 0.71524058 0.55678696
0.62132522 0.61445592 0.48297101
0.77973822 0.71616374 0.47115151
0.73056348 0.77429212 0.55092186
0.77026717 0.86543833 0.61669314
0.90275764 0.07008529 0.85577979
0.00512988 0.05745092 0.91682730
0.05097617 0.93607544 0.94179961
0.79924542 0.21139281 0.38146644
0.72139945 0.36907627 0.48051345
0.76126546 0.66637431 0.24560273
0.83825668 0.50759654 0.14707455
0.18521885 0.09207255 0.16775368
-0.00968075 0.09518280 0.15132169
0.00622380 0.44088356 0.30499040
0.19782468 0.43989933 0.31803636
0.49802595 0.64638857 0.16199238
0.46127413 0.47752921 0.28927440
0.24225656 0.31789135 0.04342760
0.28100907 0.48745857 0.91464988
0.56582871 0.04811698 0.00389814
0.40614431 0.91436652 -0.02668509
0.60696957 0.58356988 0.98292866
0.76709986 0.71627471 0.01502011
0.46896932 0.28708659 0.37659623
0.36135893 0.21018482 0.42005129
0.35837218 0.37761700 0.39462223
0.46277009 0.15680612 0.23159971
0.34450109 0.12823954 0.14207520
0.36205249 0.06617078 0.27548762
0.85050355 0.75627503 0.82459270
0.57038510 0.86658948 0.75622926
0.49961355 0.70321832 0.63220733
0.84576373 0.90897312 0.61320409
0.86411287 0.16306022 0.83288447
0.04757767 0.14049466 0.94381377
0.22207111 0.70097895 0.03436064
0.74636179 0.94858349 0.02752010
0.87555159 0.26343425 0.21243860
0.40815708 0.67116179 0.95438818
0.23318322 0.95303366 0.03935784
0.04256199 0.60299063 -0.06344155
0.74733310 0.98366192 0.76167907
0.55004299 0.53916272 0.46656782
0.86276207 0.74160777 0.44330405
0.15789000 0.75875641 0.00232978
0.71064051 0.61966562 0.43381278
No title
1
12.804198 0.047021 -1.266883
0.160568 10.594891 0.371320
-1.265285 0.671400 12.937285
C H O N
43 30 7 2
Direct configuration= 541
0.73953773 0.52746190 0.37014541
0.74644717 0.39926989 0.40746778
0.78949404 0.31113467 0.35257669
0.76909770 0.56655535 0.27484186
0.81169373 0.47824122 0.21980362
0.82544389 0.35179770 0.26114762
-0.01455762 0.26816921 0.22578157
0.03689043 0.17033262 0.18816697
0.14706385 0.16930034 0.19829441
0.04454677 0.36404046 0.27424445
0.15408855 0.36202782 0.28222215
0.20817984 0.26526367 0.24494875
0.32884236 0.27087487 0.25308430
0.35102519 0.38120428 0.17639769
0.42155075 0.47631099 0.20749757
0.44283330 0.57346291 0.13561712
0.30054993 0.38797709 0.06991042
0.32120985 0.48335083 -0.00311443
0.39363802 0.57588040 0.02999484
0.49836995 0.74283264 -0.02440859
0.48558728 0.87295861 -0.01929596
0.57539616 0.94670039 -0.00094249
0.59929862 0.68589880 -0.01265464
0.68829423 0.76071265 0.00576372
0.67673942 0.89104150 0.01209895
0.38241632 0.28781060 0.36769010
0.37662662 0.14804189 0.22311130
0.15814442 0.89124836 0.00060913
0.06287347 0.71394840 -0.05186555
0.99460093 0.83001690 0.90895853
0.89301386 0.84020743 0.84900777
0.84838983 0.96306697 0.82101835
0.71055412 0.89545650 0.69108676
0.61310752 0.84031381 0.69626802
0.57413770 0.74904213 0.62801911
0.63520152 0.71534694 0.55679414
0.62114869 0.61454986 0.48298668
0.77963898 0.71632519 0.47091814
0.73047580 0.77437256 0.55077909
0.77023595 0.86551081 0.61649715
0.90284904 0.07012411 0.85556852
0.00514504 0.05745190 0.91668914
0.05099709 0.93611296 0.94167802
0.79912096 0.21153719 0.38175113
0.72125484 0.36927864 0.48064762
0.76118295 0.66627312 0.24535331
0.83820493 0.50747841 0.14695494
0.18520200 0.09181175 0.16801854
-0.00976421 0.09506833 0.15162266
0.00622342 0.44079669 0.30490785
0.19790119 0.43971133 0.31793483
0.49799536 0.64627161 0.16220066
0.46122322 0.47729946 0.28947367
0.24245089 0.31781009 0.04334584
0.28127069 0.48750622 0.91464097
0.56576715 0.04819626 0.00404067
0.40606567 0.91436127 -0.02656751
0.60712072 0.58391051 0.98297567
0.76721014 0.71664057 0.01506929
0.46918521 0.28668100 0.37652345
0.36158667 0.20965266 0.42017276
0.35853456 0.37701149 0.39474404
0.46277976 0.15656229 0.23145713
0.34449401 0.12824756 0.14183886
0.36195547 0.06586282 0.27529442
0.85040117 0.75649458 0.82450053
0.57040082 0.86679836 0.75625180
0.49955341 0.70344860 0.63236927
0.84578176 0.90900520 0.61291464
0.86421854 0.16311297 0.83261487
0.04763159 0.14040706 0.94374130
0.22203972 0.70094936 0.03428980
0.74641525 0.94886125 0.02757763
0.87546115 0.26340578 0.21259682
0.40819724 0.67129382 0.95447231
0.23327339 0.95294735 0.03933807
0.04252191 0.60314275 -0.06346718
0.74737272 0.98375658 0.76145990
0.54996112 0.53930250 0.46679236
0.86265194 0.74170704 0.44300551
0.15788797 0.75881198 0.00224012
0.71049298 0.61975952 0.43375435
No title
1
12.800690 0.045793 -1.264180
0.159789 10.598049 0.373486
-1.262738 0.674460 12.932682
C H O N
43 30 7 2
Direct configuration= 542
0.73939807 0.52755803 0.37010007
0.74633149 0.39938090 0.40757542
0.78944727 0.31117472 0.35271592
0.76902806 0.56653308 0.27473355
0.81163573 0.47822155 0.21979494
0.82536297 0.35184354 0.26117717
-0.01458126 0.26807042 0.22587705
0.03684573 0.17020553 0.18831829
0.14706626 0.16913883 0.19850657
0.04455176 0.36402064 0.27422410
0.15416581 0.36188717 0.28224440
0.20815045 0.26502714 0.24502531
0.32890285 0.27067190 0.25310988
0.35106279 0.38108035 0.17645474
0.42158078 0.47617504 0.20758501
0.44280879 0.57341540 0.13572779
0.30067109 0.38790210 0.06987539
0.32129642 0.48339172 -0.00311823
0.39367845 0.57589654 0.03008084
0.49836337 0.74290310 -0.02429554
0.48557994 0.87308388 -0.01919472
0.57536815 0.94679997 -0.00085763
0.59940469 0.68610735 -0.01259079
0.68837320 0.76095021 0.00584380
0.67674284 0.89119671 0.01215858
0.38249886 0.28747324 0.36771284
0.37667766 0.14787671 0.22304628
0.15813163 0.89122345 0.00057050
0.06285340 0.71398927 -0.05190262
0.99459370 0.83007795 0.90887936
0.89297137 0.84029404 0.84888908
0.84840911 0.96316290 0.82083658
0.71057192 0.89555796 0.69095439
0.61312299 0.84049881 0.69626504
0.57407724 0.74921188 0.62806037
0.63513315 0.71543189 0.55679989
0.62100760 0.61462487 0.48299924
0.77955970 0.71645421 0.47073159
0.73040574 0.77443684 0.55066497
0.77021104 0.86556877 0.61634047
0.90292212 0.07015520 0.85539961
0.00515718 0.05745273 0.91657870
0.05101383 0.93614298 0.94158081
0.79902144 0.21165240 0.38197871
0.72113925 0.36944022 0.48075487
0.76111703 0.66619237 0.24515396
0.83816357 0.50738408 0.14685936
0.18518848 0.09160336 0.16823030
-0.00983096 0.09497680 0.15186327
0.00622311 0.44072732 0.30484187
0.19796235 0.43956121 0.31785370
0.49797087 0.64617813 0.16236716
0.46118248 0.47711589 0.28963300
0.24260622 0.31774524 0.04328047
0.28147980 0.48754431 0.91463379
0.56571793 0.04825952 0.00415460
0.40600279 0.91435703 -0.02647351
0.60724154 0.58418258 0.98301317
0.76729829 0.71693280 0.01510853
0.46935776 0.28635709 0.37646530
0.36176865 0.20922761 0.42026990
0.35866429 0.37652783 0.39484148
0.46278750 0.15636759 0.23134319
0.34448839 0.12825403 0.14164994
0.36187795 0.06561690 0.27514005
0.85031936 0.75666996 0.82442683
0.57041339 0.86696519 0.75626979
0.49950532 0.70363247 0.63249870
0.84579622 0.90903093 0.61268326
0.86430304 0.16315521 0.83239934
0.04767470 0.14033713 0.94368337
0.22201465 0.70092575 0.03423319
0.74645798 0.94908309 0.02762356
0.87538884 0.26338298 0.21272332
0.40822932 0.67139925 0.95453954
0.23334546 0.95287843 0.03932227
0.04248989 0.60326425 -0.06348769
0.74740442 0.98383227 0.76128468
0.54989566 0.53941407 0.46697185
0.86256397 0.74178641 0.44276687
0.15788636 0.75885639 0.00216844
0.71037508 0.61983451 0.43370765
No title
1
12.796021 0.044300 -1.260584
0.158867 10.602251 0.376342
-1.259382 0.678502 12.926158
C H O N
43 30 7 2
Direct configuration= 543
0.73921577 0.52769161 0.37007039
0.74621240 0.39952443 0.40763279
0.78936849 0.31133691 0.35289213
0.76891389 0.56656435 0.27460626
0.81158685 0.47817084 0.21972076
0.82525902 0.35185161 0.26123497
-0.01462078 0.26799036 0.22601046
0.03677577 0.17002665 0.18851323
0.14705816 0.16882962 0.19874183
0.04458700 0.36398492 0.27419312
0.15424123 0.36170198 0.28226790
0.20816361 0.26477127 0.24514059
0.32896928 0.27037010 0.25318488
0.35111553 0.38091993 0.17648357
0.42162817 0.47600569 0.20775280
0.44280101 0.57333556 0.13590664
0.30083288 0.38782264 0.06985341
0.32141884 0.48340537 -0.00309036
0.39371072 0.57593288 0.03016976
0.49845422 0.74306521 -0.02413776
0.48553348 0.87319065 -0.01904130
0.57532584 0.94694350 -0.00077211
0.59952996 0.68636600 -0.01251983
0.68844607 0.76120307 0.00593858
0.67676564 0.89141007 0.01225733
0.38264265 0.28698043 0.36773478
0.37667164 0.14764311 0.22289076
0.15811241 0.89122540 0.00048367
0.06281535 0.71404991 -0.05194579
0.99456766 0.83024381 0.90876469
0.89296166 0.84042108 0.84873832
0.84843074 0.96323776 0.82059590
0.71056218 0.89566936 0.69081432
0.61314462 0.84073647 0.69625017
0.57401944 0.74946551 0.62811075
0.63500400 0.71553761 0.55682599
0.62088797 0.61479499 0.48303534
0.77941932 0.71657049 0.47048337
0.73034717 0.77451564 0.55049754
0.77018909 0.86565040 0.61613118
0.90298918 0.07021205 0.85515740
0.00523868 0.05741226 0.91646979
0.05104510 0.93614221 0.94148521
0.79890450 0.21173696 0.38229293
0.72097581 0.36964114 0.48093001
0.76103641 0.66604766 0.24490397
0.83809853 0.50724086 0.14677738
0.18514588 0.09136375 0.16851408
-0.00990214 0.09487692 0.15219243
0.00622628 0.44064063 0.30476790
0.19806746 0.43937588 0.31776461
0.49793634 0.64607307 0.16258197
0.46112743 0.47686876 0.28979445
0.24283980 0.31765826 0.04320012
0.28175210 0.48760032 0.91461815
0.56565106 0.04835297 0.00430783
0.40594025 0.91436078 -0.02635537
0.60740966 0.58458399 0.98306945
0.76740163 0.71732472 0.01515997
0.46952789 0.28593088 0.37639672
0.36200331 0.20868558 0.42036839
0.35881957 0.37592393 0.39498865
0.46283604 0.15611481 0.23119500
0.34450279 0.12828111 0.14144895
0.36177872 0.06532576 0.27493947
0.85020389 0.75687480 0.82431598
0.57043821 0.86720035 0.75628017
0.49944392 0.70386807 0.63268972
0.84581046 0.90907181 0.61236075
0.86439617 0.16322562 0.83212795
0.04772865 0.14024503 0.94357588
0.22198608 0.70090731 0.03416347
0.74650426 0.94936686 0.02766844
0.87527920 0.26336366 0.21288631
0.40824978 0.67155244 0.95460045
0.23340751 0.95275772 0.03929152
0.04243088 0.60338927 -0.06352600
0.74742870 0.98394261 0.76106319
0.54975289 0.53950521 0.46719232
0.86248741 0.74190713 0.44245345
0.15788978 0.75888912 0.00208396
0.71018731 0.61992257 0.43363904
No title
1
12.789843 0.042325 -1.255825
0.157647 10.607811 0.380120
-1.254940 0.683849 12.917527
C H O N
43 30 7 2
Direct configuration= 544
0.73897452 0.52786827 0.37003111
0.74605476 0.39971421 0.40770874
0.78926418 0.31155132 0.35312538
0.76876283 0.56660576 0.27443779
0.81152218 0.47810381 0.21962260
0.82512142 0.35186224 0.26131151
-0.01467313 0.26788438 0.22618710
0.03668310 0.16978994 0.18877136
0.14704735 0.16842053 0.19905336
0.04463364 0.36393769 0.27415211
0.15434104 0.36145705 0.28229904
0.20818099 0.26443280 0.24529325
0.32905716 0.26997091 0.25328423
0.35118531 0.38070776 0.17652177
0.42169083 0.47578163 0.20797494
0.44279065 0.57322986 0.13614342
0.30104701 0.38771759 0.06982428
0.32158087 0.48342344 -0.00305350
0.39375340 0.57598091 0.03028744
0.49857445 0.74327954 -0.02392897
0.48547195 0.87333178 -0.01883822
0.57526984 0.94713328 -0.00065892
0.59969575 0.68670807 -0.01242601
0.68854252 0.76153746 0.00606396
0.67679582 0.89169222 0.01238799
0.38283292 0.28632864 0.36776392
0.37666371 0.14733423 0.22268494
0.15808699 0.89122804 0.00036873
0.06276501 0.71413013 -0.05200296
0.99453323 0.83046323 0.90861285
0.89294886 0.84058919 0.84853872
0.84845945 0.96333692 0.82027726
0.71054933 0.89581677 0.69062887
0.61317326 0.84105082 0.69623040
0.57394295 0.74980092 0.62817739
0.63483306 0.71567740 0.55686056
0.62072963 0.61501995 0.48308314
0.77923361 0.71672439 0.47015480
0.73026969 0.77461994 0.55027589
0.77016010 0.86575849 0.61585412
0.90307800 0.07028739 0.85483673
0.00534657 0.05735882 0.91632559
0.05108653 0.93614126 0.94135865
0.79874964 0.21184860 0.38270890
0.72075945 0.36990674 0.48116186
0.76092976 0.66585640 0.24457311
0.83801246 0.50705146 0.14666892
0.18508940 0.09104667 0.16888983
-0.00999645 0.09474462 0.15262820
0.00623048 0.44052601 0.30466999
0.19820657 0.43913084 0.31764671
0.49789056 0.64593399 0.16286636
0.46105451 0.47654180 0.29000826
0.24314898 0.31754331 0.04309371
0.28211252 0.48767448 0.91459733
0.56556252 0.04847647 0.00451067
0.40585745 0.91436567 -0.02619897
0.60763220 0.58511491 0.98314380
0.76753842 0.71784307 0.01522791
0.46975306 0.28536724 0.37630598
0.36231383 0.20796868 0.42049883
0.35902501 0.37512515 0.39518359
0.46290030 0.15578057 0.23099888
0.34452191 0.12831705 0.14118287
0.36164742 0.06494077 0.27467406
0.85005110 0.75714577 0.82416922
0.57047107 0.86751139 0.75629384
0.49936262 0.70417956 0.63294255
0.84582941 0.90912607 0.61193382
0.86451952 0.16331892 0.83176863
0.04780008 0.14012329 0.94343360
0.22194828 0.70088295 0.03407119
0.74656553 0.94974217 0.02772776
0.87513403 0.26333800 0.21310212
0.40827684 0.67175502 0.95468104
0.23348964 0.95259810 0.03925083
0.04235280 0.60355463 -0.06357674
0.74746090 0.98408868 0.76076995
0.54956386 0.53962560 0.46748420
0.86238617 0.74206696 0.44203854
0.15789434 0.75893246 0.00197212
0.70993882 0.62003903 0.43354825
No title
1
12.783795 0.040757 -1.251212
0.156758 10.613210 0.383856
-1.250611 0.689087 12.909146
C H O N
43 30 7 2
Direct configuration= 545
0.73877953 0.52796346 0.36995867
0.74588651 0.39996057 0.40779974
0.78915157 0.31169215 0.35336208
0.76861613 0.56652884 0.27432939
0.81142485 0.47802932 0.21957470
0.82500862 0.35186403 0.26140843
-0.01471491 0.26782641 0.22633850
0.03663812 0.16966926 0.18908454
0.14696380 0.16806172 0.19932107
0.04467357 0.36379674 0.27410324
0.15437307 0.36123815 0.28230642
0.20829121 0.26412936 0.24544909
0.32910446 0.26953777 0.25331719
0.35130801 0.38048471 0.17657926
0.42166842 0.47552913 0.20815802
0.44280758 0.57313679 0.13635297
0.30123563 0.38759955 0.06986829
0.32177862 0.48344107 -0.00300189
0.39379272 0.57607323 0.03038951
0.49871453 0.74357717 -0.02376232
0.48544551 0.87334276 -0.01862074
0.57523582 0.94733047 -0.00055523
0.59977370 0.68706391 -0.01234657
0.68863612 0.76188973 0.00617187
0.67685811 0.89199592 0.01253369
0.38308607 0.28564760 0.36785106
0.37659604 0.14707747 0.22246725
0.15816751 0.89122870 0.00027115
0.06269381 0.71431344 -0.05207610
0.99451291 0.83057430 0.90847799
0.89296190 0.84077197 0.84833930
0.84851409 0.96345534 0.82000589
0.71056931 0.89597562 0.69046816
0.61311354 0.84127606 0.69618020
0.57385306 0.75010565 0.62825611
0.63473214 0.71585734 0.55686006
0.62052395 0.61519256 0.48317794
0.77909657 0.71682791 0.46985423
0.73018889 0.77474278 0.55009431
0.77015914 0.86584700 0.61555266
0.90315922 0.07033692 0.85453386
0.00543191 0.05730369 0.91615780
0.05113307 0.93615985 0.94127985
0.79861004 0.21202120 0.38308150
0.72055990 0.37016280 0.48136734
0.76082574 0.66575717 0.24423785
0.83794821 0.50688058 0.14654207
0.18504142 0.09071237 0.16923063
-0.01012093 0.09456147 0.15301589
0.00623765 0.44045685 0.30459828
0.19838137 0.43891650 0.31756081
0.49785098 0.64583919 0.16313445
0.46102040 0.47622309 0.29022273
0.24346534 0.31741207 0.04299380
0.28242666 0.48775168 0.91453600
0.56547726 0.04859329 0.00469855
0.40576592 0.91439531 -0.02605471
0.60785823 0.58556925 0.98321573
0.76768164 0.71832436 0.01529740
0.46989324 0.28483203 0.37622676
0.36260117 0.20730997 0.42057914
0.35920147 0.37440426 0.39539110
0.46298543 0.15545774 0.23081613
0.34454490 0.12836217 0.14095224
0.36153385 0.06462071 0.27441604
0.84991633 0.75736822 0.82402040
0.57050604 0.86783625 0.75630500
0.49928826 0.70448126 0.63320948
0.84583170 0.90918708 0.61151074
0.86462853 0.16339307 0.83144937
0.04788541 0.14003052 0.94327283
0.22192379 0.70089313 0.03399248
0.74657443 0.95005211 0.02776128
0.87503130 0.26329939 0.21328266
0.40832990 0.67194947 0.95478225
0.23348047 0.95241240 0.03917636
0.04224501 0.60365400 -0.06363978
0.74747354 0.98426170 0.76050278
0.54937549 0.53974700 0.46774619
0.86223530 0.74219935 0.44165360
0.15786595 0.75893613 0.00186645
0.70972059 0.62020049 0.43343361
No title
1
12.780660 0.039944 -1.248820
0.156297 10.616009 0.385792
-1.248367 0.691802 12.904801
C H O N
43 30 7 2
Direct configuration= 546
0.73867841 0.52801280 0.36992111
0.74579923 0.40008819 0.40784694
0.78909314 0.31176506 0.35348487
0.76854006 0.56648899 0.27427319
0.81137437 0.47799073 0.21954988
0.82495011 0.35186492 0.26145873
-0.01473660 0.26779633 0.22641706
0.03661474 0.16960663 0.18924702
0.14692042 0.16787571 0.19946002
0.04469428 0.36372372 0.27407791
0.15438968 0.36112472 0.28231028
0.20834835 0.26397209 0.24552997
0.32912897 0.26931332 0.25333434
0.35137164 0.38036912 0.17660909
0.42165677 0.47539824 0.20825304
0.44281632 0.57308851 0.13646168
0.30133346 0.38753840 0.06989111
0.32188118 0.48345021 -0.00297515
0.39381310 0.57612105 0.03044243
0.49878717 0.74373136 -0.02367594
0.48543176 0.87334839 -0.01850791
0.57521816 0.94743263 -0.00050146
0.59981414 0.68724829 -0.01230543
0.68868466 0.76207224 0.00622778
0.67689041 0.89215326 0.01260922
0.38321734 0.28529470 0.36789632
0.37656096 0.14694448 0.22235437
0.15820929 0.89122907 0.00022052
0.06265690 0.71440844 -0.05211406
0.99450239 0.83063189 0.90840801
0.89296870 0.84086673 0.84823582
0.84854247 0.96351679 0.81986509
0.71057970 0.89605797 0.69038476
0.61308258 0.84139278 0.69615413
0.57380644 0.75026352 0.62829692
0.63467980 0.71595057 0.55685980
0.62041726 0.61528197 0.48322714
0.77902553 0.71688162 0.46969831
0.73014701 0.77480647 0.55000011
0.77015868 0.86589295 0.61539626
0.90320139 0.07036267 0.85437672
0.00547619 0.05727519 0.91607075
0.05115722 0.93616951 0.94123896
0.79853758 0.21211052 0.38327480
0.72045638 0.37029541 0.48147393
0.76077184 0.66570583 0.24406396
0.83791489 0.50679206 0.14647630
0.18501647 0.09053904 0.16940748
-0.01018555 0.09446645 0.15321706
0.00624137 0.44042103 0.30456108
0.19847203 0.43880548 0.31751626
0.49783041 0.64578998 0.16327355
0.46100267 0.47605788 0.29033404
0.24362943 0.31734412 0.04294194
0.28258960 0.48779173 0.91450412
0.56543301 0.04865376 0.00479602
0.40571843 0.91441063 -0.02597987
0.60797546 0.58580469 0.98325294
0.76775592 0.71857375 0.01533336
0.46996594 0.28455473 0.37618571
0.36275018 0.20696865 0.42062085
0.35929295 0.37403067 0.39549882
0.46302960 0.15529051 0.23072135
0.34455685 0.12838561 0.14083259
0.36147498 0.06445493 0.27428225
0.84984645 0.75748352 0.82394319
0.57052418 0.86800459 0.75631073
0.49924967 0.70463752 0.63334793
0.84583295 0.90921881 0.61129125
0.86468512 0.16343159 0.83128372
0.04792969 0.13998250 0.94318943
0.22191110 0.70089843 0.03395166
0.74657905 0.95021270 0.02777863
0.87497799 0.26327932 0.21337635
0.40835741 0.67205020 0.95483471
0.23347571 0.95231620 0.03913775
0.04218912 0.60370549 -0.06367248
0.74748014 0.98435142 0.76036416
0.54927776 0.53980982 0.46788212
0.86215711 0.74226805 0.44145391
0.15785123 0.75893806 0.00181164
0.70960741 0.62028417 0.43337415
No title
1
12.775130 0.038834 -1.243953
0.155811 10.621328 0.389624
-1.243803 0.697099 12.896478
C H O N
43 30 7 2
Direct configuration= 547
0.73849229 0.52808202 0.36986414
0.74560936 0.40029630 0.40801364
0.78895645 0.31185036 0.35373479
0.76840376 0.56639444 0.27413245
0.81124625 0.47789105 0.21953819
0.82485915 0.35186434 0.26158104
-0.01479488 0.26774284 0.22653759
0.03652467 0.16948019 0.18957512
0.14688896 0.16764609 0.19974986
0.04466343 0.36358929 0.27407093
0.15448307 0.36091123 0.28230525
0.20842022 0.26364155 0.24566226
0.32920393 0.26887642 0.25331429
0.35151690 0.38005365 0.17672878
0.42160216 0.47517006 0.20839601
0.44282942 0.57299857 0.13663172
0.30151311 0.38743424 0.06994717
0.32208879 0.48346661 -0.00294450
0.39389166 0.57625945 0.03057092
0.49882569 0.74396202 -0.02356037
0.48544901 0.87345132 -0.01827492
0.57520321 0.94759661 -0.00037827
0.59990983 0.68762867 -0.01221385
0.68878180 0.76250407 0.00632385
0.67691908 0.89245313 0.01274665
0.38342618 0.28466049 0.36801386
0.37654625 0.14674264 0.22218225
0.15821855 0.89108339 0.00007085
0.06254760 0.71445483 -0.05222321
0.99451844 0.83066921 0.90829829
0.89296016 0.84101314 0.84801193
0.84861060 0.96369848 0.81962329
0.71061953 0.89621531 0.69018556
0.61300261 0.84161150 0.69610305
0.57369305 0.75049160 0.62834824
0.63460604 0.71618261 0.55684603
0.62017644 0.61540415 0.48334850
0.77886770 0.71695342 0.46945453
0.73006037 0.77492707 0.54981415
0.77016045 0.86599770 0.61511520
0.90329651 0.07040170 0.85409784
0.00552553 0.05725950 0.91585901
0.05119532 0.93618489 0.94117112
0.79840130 0.21236674 0.38362866
0.72026742 0.37057311 0.48164600
0.76066566 0.66563567 0.24372728
0.83786653 0.50663486 0.14632397
0.18496632 0.09015934 0.16973315
-0.01032031 0.09428027 0.15360656
0.00627476 0.44034811 0.30448832
0.19865570 0.43857377 0.31743759
0.49779487 0.64572651 0.16354640
0.46099913 0.47572471 0.29056944
0.24395669 0.31717877 0.04284456
0.28288565 0.48787141 0.91442828
0.56534095 0.04876722 0.00497367
0.40563680 0.91443493 -0.02583052
0.60820230 0.58620221 0.98332228
0.76791753 0.71903797 0.01540922
0.47012568 0.28401131 0.37611963
0.36302480 0.20628057 0.42069304
0.35947090 0.37327880 0.39571111
0.46307013 0.15495487 0.23053521
0.34455473 0.12842490 0.14056389
0.36136892 0.06416742 0.27401602
0.84974773 0.75771170 0.82379649
0.57054566 0.86835814 0.75633196
0.49916563 0.70494170 0.63363538
0.84583590 0.90929499 0.61084807
0.86479791 0.16346624 0.83098707
0.04803087 0.13990442 0.94300460
0.22189146 0.70093106 0.03387797
0.74657663 0.95050588 0.02780405
0.87492026 0.26323669 0.21353224
0.40846625 0.67226723 0.95496967
0.23355268 0.95222854 0.03910980
0.04207499 0.60395768 -0.06373091
0.74749476 0.98454131 0.76010922
0.54908122 0.53995118 0.46813888
0.86200391 0.74238763 0.44104889
0.15780358 0.75894020 0.00171088
0.70941180 0.62046787 0.43321584
No title
1
12.770105 0.037825 -1.239531
0.155370 10.626161 0.393105
-1.239656 0.701911 12.888915
C H O N
43 30 7 2
Direct configuration= 548
0.73832313 0.52814490 0.36981240
0.74543674 0.40048518 0.40816521
0.78883216 0.31192768 0.35396202
0.76827990 0.56630863 0.27400458
0.81112980 0.47780052 0.21952762
0.82477644 0.35186374 0.26169228
-0.01484788 0.26769421 0.22664721
0.03644272 0.16936519 0.18987346
0.14686029 0.16743742 0.20001342
0.04463539 0.36346722 0.27406463
0.15456795 0.36071737 0.28230069
0.20848550 0.26334132 0.24578259
0.32927206 0.26847967 0.25329616
0.35164889 0.37976713 0.17683762
0.42155249 0.47496277 0.20852605
0.44284128 0.57291681 0.13678632
0.30167638 0.38733965 0.06999810
0.32227748 0.48348151 -0.00291670
0.39396304 0.57638507 0.03068766
0.49886067 0.74417143 -0.02345537
0.48546464 0.87354469 -0.01806313
0.57518959 0.94774547 -0.00026630
0.59999678 0.68797407 -0.01213072
0.68887008 0.76289618 0.00641106
0.67694510 0.89272539 0.01287151
0.38361595 0.28408452 0.36812081
0.37653293 0.14655944 0.22202583
0.15822700 0.89095117 -0.00006518
0.06244829 0.71449699 -0.05232243
0.99453306 0.83070316 0.90819852
0.89295246 0.84114620 0.84780834
0.84867260 0.96386360 0.81940339
0.71065579 0.89635830 0.69000441
0.61292994 0.84181014 0.69605657
0.57358997 0.75069869 0.62839487
0.63453900 0.71639332 0.55683347
0.61995753 0.61551502 0.48345888
0.77872430 0.71701873 0.46923294
0.72998166 0.77503666 0.54964509
0.77016213 0.86609297 0.61485965
0.90338304 0.07043729 0.85384426
0.00557043 0.05724536 0.91566650
0.05122998 0.93619890 0.94110943
0.79827735 0.21259922 0.38395034
0.72009562 0.37082520 0.48180241
0.76056925 0.66557211 0.24342125
0.83782262 0.50649216 0.14618553
0.18492064 0.08981436 0.17002935
-0.01044290 0.09411099 0.15396075
0.00630513 0.44028194 0.30442218
0.19882265 0.43836342 0.31736607
0.49776249 0.64566873 0.16379447
0.46099586 0.47542204 0.29078354
0.24425416 0.31702869 0.04275598
0.28315476 0.48794384 0.91435923
0.56525722 0.04887014 0.00513518
0.40556256 0.91445692 -0.02569471
0.60840846 0.58656320 0.98338516
0.76806440 0.71945952 0.01547802
0.47027088 0.28351787 0.37605964
0.36327437 0.20565571 0.42075877
0.35963258 0.37259592 0.39590425
0.46310700 0.15465016 0.23036606
0.34455286 0.12846070 0.14031960
0.36127259 0.06390645 0.27377408
0.84965803 0.75791897 0.82366310
0.57056518 0.86867920 0.75635116
0.49908918 0.70521779 0.63389666
0.84583869 0.90936438 0.61044514
0.86490051 0.16349786 0.83071732
0.04812288 0.13983363 0.94283655
0.22187362 0.70096072 0.03381098
0.74657442 0.95077210 0.02782710
0.87486776 0.26319789 0.21367400
0.40856515 0.67246427 0.95509228
0.23362265 0.95214896 0.03908438
0.04197127 0.60418671 -0.06378406
0.74750813 0.98471387 0.75987739
0.54890251 0.54007941 0.46837233
0.86186477 0.74249640 0.44068069
0.15776029 0.75894219 0.00161929
0.70923405 0.62063475 0.43307193
No title
1
12.764903 0.036999 -1.234443
0.155130 10.631604 0.396906
-1.234886 0.707148 12.880570
C H O N
43 30 7 2
Direct configuration= 549
0.73813486 0.52822922 0.36979739
0.74526899 0.40059661 0.40833053
0.78866806 0.31209888 0.35419257
0.76813625 0.56632515 0.27381851
0.81102468 0.47768093 0.21944511
0.82469601 0.35181415 0.26186115
-0.01493772 0.26762960 0.22675191
0.03633667 0.16914938 0.19016885
0.14687582 0.16721685 0.20028802
0.04464743 0.36338181 0.27411847
0.15466808 0.36050995 0.28229149
0.20850627 0.26303579 0.24590078
0.32940126 0.26809206 0.25331615
0.35177820 0.37940950 0.17695979
0.42154245 0.47476869 0.20869422
0.44285864 0.57284697 0.13696025
0.30186145 0.38726544 0.07001301
0.32248765 0.48351503 -0.00289624
0.39405121 0.57649745 0.03081011
0.49884814 0.74434054 -0.02335755
0.48546878 0.87376793 -0.01784810
0.57516651 0.94792119 -0.00010640
0.60014848 0.68833231 -0.01202527
0.68898358 0.76332753 0.00649786
0.67694968 0.89302035 0.01298716
0.38373379 0.28352129 0.36819397
0.37658311 0.14636329 0.22186796
0.15831394 0.89085087 -0.00015091
0.06236893 0.71463655 -0.05243258
0.99451060 0.83076044 0.90806973
0.89296128 0.84129625 0.84759807
0.84872280 0.96402363 0.81916516
0.71065119 0.89651072 0.68978201
0.61290470 0.84205482 0.69599814
0.57349532 0.75089739 0.62843713
0.63440414 0.71660490 0.55681742
0.61979613 0.61567100 0.48357054
0.77857592 0.71708648 0.46901057
0.72991518 0.77516029 0.54944887
0.77016093 0.86621968 0.61460929
0.90347543 0.07051641 0.85358149
0.00564897 0.05725662 0.91545625
0.05122412 0.93615737 0.94100509
0.79814801 0.21284811 0.38431716
0.71989505 0.37110558 0.48200415
0.76046478 0.66545294 0.24310706
0.83776831 0.50632755 0.14605926
0.18483894 0.08945574 0.17036575
-0.01056185 0.09396927 0.15437590
0.00635432 0.44020969 0.30434815
0.19899489 0.43809610 0.31728113
0.49771336 0.64560387 0.16406769
0.46099363 0.47507814 0.29099559
0.24458904 0.31683777 0.04266544
0.28344621 0.48802255 0.91429888
0.56516029 0.04896084 0.00529915
0.40551450 0.91446786 -0.02553023
0.60862766 0.58695600 0.98345304
0.76822070 0.71992489 0.01555687
0.47049259 0.28296490 0.37601095
0.36352876 0.20490415 0.42085362
0.35981121 0.37181005 0.39611952
0.46310393 0.15430644 0.23017808
0.34452994 0.12849426 0.14002631
0.36117196 0.06363867 0.27350519
0.84959012 0.75815448 0.82351284
0.57056297 0.86905235 0.75638519
0.49897024 0.70550039 0.63418950
0.84585166 0.90945512 0.60998497
0.86502142 0.16348948 0.83043982
0.04822715 0.13975313 0.94262382
0.22185141 0.70101341 0.03373885
0.74658559 0.95107398 0.02785593
0.87480288 0.26318590 0.21381887
0.40867838 0.67268162 0.95523955
0.23363957 0.95201037 0.03901505
0.04180706 0.60433564 -0.06386257
0.74754138 0.98490186 0.75962202
0.54865779 0.54020189 0.46863027
0.86169374 0.74259512 0.44026828
0.15772943 0.75892199 0.00153301
0.70901139 0.62079868 0.43290507
No title
1
12.759953 0.036214 -1.229601
0.154900 10.636783 0.400521
-1.230347 0.712130 12.872631
C H O N
43 30 7 2
Direct configuration= 550
0.73795569 0.52830939 0.36978314
0.74510928 0.40070248 0.40848794
0.78851182 0.31226154 0.35441205
0.76799960 0.56634095 0.27364144
0.81092465 0.47756724 0.21936663
0.82461942 0.35176691 0.26202194
-0.01502324 0.26756810 0.22685163
0.03623566 0.16894400 0.19045014
0.14689052 0.16700697 0.20054948
0.04465888 0.36330058 0.27416974
0.15476338 0.36031273 0.28228276
0.20852600 0.26274521 0.24601337
0.32952421 0.26772350 0.25333525
0.35190123 0.37906939 0.17707614
0.42153284 0.47458406 0.20885436
0.44287510 0.57278047 0.13712584
0.30203758 0.38719489 0.07002716
0.32268767 0.48354692 -0.00287685
0.39413508 0.57660426 0.03092661
0.49883618 0.74450130 -0.02326447
0.48547265 0.87398009 -0.01764346
0.57514450 0.94808819 0.00004579
0.60029282 0.68867292 -0.01192503
0.68909158 0.76373766 0.00658033
0.67695399 0.89330077 0.01309717
0.38384593 0.28298569 0.36826373
0.37663092 0.14617686 0.22171770
0.15839672 0.89075555 -0.00023251
0.06229343 0.71476930 -0.05253745
0.99448926 0.83081498 0.90794713
0.89296973 0.84143903 0.84739785
0.84877065 0.96417592 0.81893831
0.71064687 0.89665577 0.68957026
0.61288070 0.84228752 0.69594245
0.57340522 0.75108631 0.62847735
0.63427580 0.71680609 0.55680213
0.61964249 0.61581924 0.48367685
0.77843477 0.71715100 0.46879891
0.72985197 0.77527794 0.54926207
0.77015986 0.86634029 0.61437092
0.90356343 0.07059179 0.85333130
0.00572378 0.05726743 0.91525607
0.05121857 0.93611794 0.94090577
0.79802482 0.21308457 0.38466633
0.71970410 0.37137207 0.48219619
0.76036546 0.66533976 0.24280804
0.83771666 0.50617107 0.14593911
0.18476109 0.08911455 0.17068611
-0.01067517 0.09383428 0.15477118
0.00640117 0.44014103 0.30427768
0.19915884 0.43784196 0.31720027
0.49766652 0.64554206 0.16432782
0.46099146 0.47475101 0.29119754
0.24490777 0.31665631 0.04257918
0.28372361 0.48809746 0.91424130
0.56506799 0.04904699 0.00545525
0.40546871 0.91447818 -0.02537363
0.60883625 0.58732950 0.98351749
0.76836942 0.72036738 0.01563175
0.47070362 0.28243913 0.37596467
0.36377083 0.20418948 0.42094402
0.35998116 0.37106269 0.39632460
0.46310106 0.15397969 0.22999922
0.34450821 0.12852632 0.13974711
0.36107627 0.06338416 0.27324932
0.84952553 0.75837848 0.82336977
0.57056085 0.86940715 0.75641748
0.49885695 0.70576895 0.63446824
0.84586414 0.90954164 0.60954688
0.86513658 0.16348167 0.83017561
0.04832644 0.13967671 0.94242129
0.22183029 0.70106355 0.03367018
0.74659620 0.95136102 0.02788329
0.87474110 0.26317443 0.21395681
0.40878610 0.67288823 0.95537964
0.23365570 0.95187863 0.03894909
0.04165080 0.60447728 -0.06393728
0.74757311 0.98508074 0.75937886
0.54842480 0.54031820 0.46887587
0.86153109 0.74268918 0.43987572
0.15770008 0.75890283 0.00145089
0.70879952 0.62095462 0.43274626
No title
1
12.754783 0.035275 -1.224320
0.154556 10.641717 0.404141
-1.225409 0.717129 12.864105
C H O N
43 30 7 2
Direct configuration= 551
0.73778563 0.52839860 0.36974531
0.74494583 0.40086265 0.40862369
0.78834778 0.31242818 0.35462543
0.76785618 0.56632626 0.27346696
0.81083002 0.47744535 0.21925629
0.82454176 0.35176818 0.26215769
-0.01506206 0.26749006 0.22698107
0.03621308 0.16872133 0.19073683
0.14683912 0.16670286 0.20076102
0.04477459 0.36317849 0.27423845
0.15479066 0.36012356 0.28228387
0.20856736 0.26249351 0.24611175
0.32966368 0.26740044 0.25343163
0.35203789 0.37883405 0.17712939
0.42156903 0.47436614 0.20904440
0.44289348 0.57272800 0.13734244
0.30223980 0.38710354 0.07000231
0.32290278 0.48363019 -0.00286226
0.39421624 0.57662190 0.03102755
0.49892227 0.74476932 -0.02313378
0.48544942 0.87413232 -0.01748305
0.57509452 0.94831083 0.00025501
0.60043238 0.68899252 -0.01182289
0.68922375 0.76411004 0.00666054
0.67698484 0.89360670 0.01318785
0.38396220 0.28238377 0.36829377
0.37665935 0.14593491 0.22150517
0.15842810 0.89070064 -0.00029614
0.06224722 0.71485161 -0.05264195
0.99442292 0.83093916 0.90779168
0.89296835 0.84162977 0.84720161
0.84880192 0.96426981 0.81870085
0.71060206 0.89685699 0.68937199
0.61287781 0.84255172 0.69589348
0.57331339 0.75130528 0.62856856
0.63410646 0.71694944 0.55675237
0.61946944 0.61590464 0.48371334
0.77831489 0.71724098 0.46855917
0.72978063 0.77542168 0.54909970
0.77016309 0.86645289 0.61409592
0.90366012 0.07066578 0.85309596
0.00585124 0.05722796 0.91506289
0.05119513 0.93607420 0.94075273
0.79789972 0.21331137 0.38505883
0.71947459 0.37162772 0.48248063
0.76025607 0.66521922 0.24250118
0.83766211 0.50599071 0.14582320
0.18464576 0.08881091 0.17104956
-0.01079583 0.09370204 0.15520097
0.00644798 0.44011595 0.30422218
0.19931712 0.43753217 0.31710464
0.49759241 0.64546108 0.16459893
0.46098786 0.47440169 0.29138264
0.24526266 0.31646370 0.04249905
0.28401775 0.48817768 0.91421535
0.56496924 0.04912845 0.00560589
0.40542932 0.91451295 -0.02518638
0.60905116 0.58774965 0.98358777
0.76851457 0.72085116 0.01571267
0.47093294 0.28187886 0.37593395
0.36400104 0.20339117 0.42105032
0.36013577 0.37029813 0.39656128
0.46312555 0.15363434 0.22981663
0.34448462 0.12856789 0.13947900
0.36098590 0.06313069 0.27298426
0.84949467 0.75862282 0.82320976
0.57055033 0.86978278 0.75643349
0.49870636 0.70602443 0.63475555
0.84588249 0.90964695 0.60907586
0.86524821 0.16347566 0.82990571
0.04844450 0.13960236 0.94218013
0.22182121 0.70109808 0.03360926
0.74661937 0.95167891 0.02792056
0.87461267 0.26320349 0.21411010
0.40883142 0.67307142 0.95551165
0.23367872 0.95171251 0.03886405
0.04145511 0.60462904 -0.06402646
0.74762239 0.98524575 0.75909895
0.54824564 0.54054183 0.46917004
0.86133793 0.74274916 0.43946061
0.15769192 0.75888792 0.00137532
0.70852071 0.62108520 0.43263140
No title
1
12.749271 0.034274 -1.218690
0.154188 10.646977 0.407999
-1.220145 0.722459 12.855017
C H O N
43 30 7 2
Direct configuration= 552
0.73760431 0.52849366 0.36970499
0.74477150 0.40103323 0.40876851
0.78817278 0.31260560 0.35485305
0.76770329 0.56631068 0.27328092
0.81072915 0.47731553 0.21913867
0.82445890 0.35176946 0.26230253
-0.01510349 0.26740683 0.22711917
0.03618890 0.16848392 0.19104270
0.14678423 0.16637872 0.20098676
0.04489795 0.36304839 0.27431173
0.15481974 0.35992200 0.28228511
0.20861143 0.26222529 0.24621674
0.32981237 0.26705619 0.25353446
0.35218360 0.37858328 0.17718620
0.42160755 0.47413386 0.20924715
0.44291301 0.57267199 0.13757348
0.30245545 0.38700624 0.06997575
0.32313215 0.48371892 -0.00284680
0.39430275 0.57664066 0.03113518
0.49901404 0.74505484 -0.02299450
0.48542459 0.87429441 -0.01731200
0.57504115 0.94854793 0.00047814
0.60058116 0.68933300 -0.01171408
0.68936467 0.76450679 0.00674594
0.67701771 0.89393262 0.01328448
0.38408618 0.28174243 0.36832593
0.37668973 0.14567724 0.22127853
0.15846159 0.89064216 -0.00036400
0.06219797 0.71493936 -0.05275341
0.99435223 0.83107156 0.90762586
0.89296695 0.84183311 0.84699223
0.84883536 0.96436999 0.81844753
0.71055434 0.89707149 0.68916047
0.61287476 0.84283325 0.69584117
0.57321543 0.75153853 0.62866583
0.63392590 0.71710218 0.55669932
0.61928490 0.61599560 0.48375230
0.77818714 0.71733696 0.46830347
0.72970463 0.77557491 0.54892651
0.77016662 0.86657302 0.61380254
0.90376330 0.07074476 0.85284488
0.00598723 0.05718603 0.91485679
0.05117019 0.93602767 0.94058951
0.79776619 0.21355280 0.38547747
0.71922975 0.37189991 0.48278404
0.76013954 0.66509093 0.24217395
0.83760398 0.50579860 0.14569963
0.18452266 0.08848718 0.17143736
-0.01092463 0.09356089 0.15565949
0.00649792 0.44008926 0.30416297
0.19948593 0.43720216 0.31700266
0.49751328 0.64537463 0.16488816
0.46098396 0.47402939 0.29158018
0.24564112 0.31625856 0.04241349
0.28433142 0.48826320 0.91418752
0.56486387 0.04921515 0.00576657
0.40538726 0.91454990 -0.02498664
0.60928031 0.58819729 0.98366253
0.76866933 0.72136658 0.01579879
0.47117748 0.28128194 0.37590126
0.36424648 0.20254056 0.42116383
0.36030055 0.36948340 0.39681388
0.46315173 0.15326648 0.22962196
0.34445955 0.12861234 0.13919303
0.36088962 0.06286075 0.27270164
0.84946181 0.75888325 0.82303903
0.57053911 0.87018300 0.75645045
0.49854568 0.70629646 0.63506199
0.84590221 0.90975943 0.60857341
0.86536734 0.16346943 0.82961778
0.04857047 0.13952328 0.94192287
0.22181155 0.70113490 0.03354429
0.74664406 0.95201760 0.02796021
0.87447566 0.26323436 0.21427364
0.40887970 0.67326653 0.95565238
0.23370330 0.95153557 0.03877338
0.04124647 0.60479077 -0.06412155
0.74767504 0.98542173 0.75880032
0.54805450 0.54077993 0.46948383
0.86113210 0.74281328 0.43901791
0.15768325 0.75887207 0.00129472
0.70822344 0.62122436 0.43250895
No title
1
12.744947 0.033378 -1.213883
0.153819 10.651111 0.411027
-1.215671 0.726663 12.847426
C H O N
43 30 7 2
Direct configuration= 553
0.73745661 0.52858578 0.36964694
0.74460499 0.40121888 0.40891936
0.78804680 0.31269746 0.35504095
0.76759086 0.56621511 0.27314365
0.81062965 0.47724627 0.21908645
0.82437675 0.35183642 0.26237681
-0.01507997 0.26732268 0.22726256
0.03615818 0.16834596 0.19129649
0.14674971 0.16614882 0.20118093
0.04491945 0.36292643 0.27435871
0.15489204 0.35973272 0.28229256
0.20864040 0.26199309 0.24627634
0.32989648 0.26678565 0.25358582
0.35231144 0.37846274 0.17720045
0.42165556 0.47393805 0.20937774
0.44289747 0.57259756 0.13776665
0.30265736 0.38691129 0.06994437
0.32329148 0.48376121 -0.00283870
0.39441433 0.57665364 0.03124938
0.49913133 0.74529182 -0.02285905
0.48541340 0.87439423 -0.01719635
0.57500663 0.94868508 0.00067373
0.60069624 0.68963122 -0.01162555
0.68945219 0.76481165 0.00680873
0.67704145 0.89420469 0.01335181
0.38425625 0.28114778 0.36840475
0.37667433 0.14547269 0.22108268
0.15838137 0.89057349 -0.00045221
0.06215158 0.71496475 -0.05284551
0.99433075 0.83116523 0.90750490
0.89292500 0.84199162 0.84681213
0.84886317 0.96448796 0.81824486
0.71055398 0.89728106 0.68897976
0.61283357 0.84307114 0.69582792
0.57311878 0.75171701 0.62875388
0.63380005 0.71722611 0.55666636
0.61917651 0.61614708 0.48378328
0.77801574 0.71742426 0.46810872
0.72960023 0.77566690 0.54878517
0.77015728 0.86668086 0.61356031
0.90385920 0.07073920 0.85265523
0.00607935 0.05714277 0.91467349
0.05119391 0.93601975 0.94045277
0.79765582 0.21374446 0.38583417
0.71902380 0.37211995 0.48304740
0.76003699 0.66500906 0.24190077
0.83756806 0.50563764 0.14556848
0.18442929 0.08820695 0.17175359
-0.01103887 0.09342744 0.15603542
0.00655304 0.44007209 0.30411902
0.19961744 0.43692374 0.31691869
0.49744428 0.64531121 0.16512918
0.46099134 0.47371916 0.29175845
0.24596276 0.31609773 0.04234599
0.28458873 0.48834301 0.91417535
0.56477054 0.04933450 0.00589746
0.40533631 0.91460404 -0.02480994
0.60946390 0.58856328 0.98372558
0.76881312 0.72179101 0.01587117
0.47133661 0.28078902 0.37588094
0.36443832 0.20185374 0.42123617
0.36041720 0.36882780 0.39703473
0.46321673 0.15296423 0.22946340
0.34443562 0.12865415 0.13896506
0.36081624 0.06263156 0.27247739
0.84945816 0.75910194 0.82289016
0.57053591 0.87050253 0.75643709
0.49841819 0.70651853 0.63530804
0.84591348 0.90985546 0.60815972
0.86545179 0.16349454 0.82938021
0.04869197 0.13946035 0.94169930
0.22182391 0.70113545 0.03350449
0.74667421 0.95231033 0.02800000
0.87437468 0.26325936 0.21441334
0.40890240 0.67343473 0.95575644
0.23377240 0.95141648 0.03871584
0.04107268 0.60495923 -0.06420022
0.74772334 0.98556775 0.75854533
0.54785065 0.54092862 0.46973663
0.86100976 0.74285083 0.43862846
0.15766359 0.75887617 0.00122063
0.70801005 0.62130590 0.43241384
No title
1
12.738039 0.031946 -1.206202
0.153231 10.657716 0.415864
-1.208525 0.733380 12.835299
C H O N
43 30 7 2
Direct configuration= 554
0.73722061 0.52873290 0.36955419
0.74433885 0.40151522 0.40916052
0.78784539 0.31284400 0.35534134
0.76741125 0.56606258 0.27292433
0.81047068 0.47713568 0.21900307
0.82424545 0.35194328 0.26249558
-0.01504245 0.26718821 0.22749177
0.03610897 0.16812548 0.19170225
0.14669444 0.16578155 0.20149141
0.04495377 0.36273164 0.27443382
0.15500757 0.35943046 0.28230451
0.20868665 0.26162225 0.24637167
0.33003087 0.26635360 0.25366798
0.35251573 0.37827026 0.17722320
0.42173222 0.47362527 0.20958654
0.44287256 0.57247857 0.13807546
0.30298004 0.38675972 0.06989412
0.32354608 0.48382877 -0.00282585
0.39459260 0.57667431 0.03143185
0.49931870 0.74567020 -0.02264269
0.48539546 0.87455356 -0.01701152
0.57495138 0.94890397 0.00098636
0.60088012 0.69010742 -0.01148421
0.68959201 0.76529846 0.00690894
0.67707936 0.89463914 0.01345933
0.38452799 0.28019813 0.36853087
0.37664979 0.14514618 0.22076968
0.15825323 0.89046386 -0.00059315
0.06207749 0.71500535 -0.05299269
0.99429650 0.83131490 0.90731153
0.89285805 0.84224488 0.84652422
0.84890772 0.96467649 0.81792085
0.71055349 0.89761585 0.68869084
0.61276776 0.84345104 0.69580669
0.57296428 0.75200196 0.62889462
0.63359896 0.71742401 0.55661370
0.61900327 0.61638896 0.48383281
0.77774194 0.71756379 0.46779749
0.72943346 0.77581387 0.54855927
0.77014246 0.86685324 0.61317308
0.90401255 0.07073046 0.85235203
0.00622666 0.05707382 0.91438044
0.05123189 0.93600720 0.94023418
0.79747927 0.21405027 0.38640435
0.71869456 0.37247111 0.48346840
0.75987325 0.66487848 0.24146419
0.83751072 0.50538069 0.14535891
0.18427994 0.08775921 0.17225924
-0.01122159 0.09321404 0.15663646
0.00664115 0.44004472 0.30404875
0.19982762 0.43647921 0.31678450
0.49733390 0.64520976 0.16551450
0.46100304 0.47322360 0.29204352
0.24647679 0.31584098 0.04223797
0.28499992 0.48847052 0.91415573
0.56462132 0.04952500 0.00610669
0.40525480 0.91469037 -0.02452748
0.60975727 0.58914773 0.98382611
0.76904289 0.72246877 0.01598665
0.47159091 0.28000189 0.37584856
0.36474483 0.20075689 0.42135195
0.36060350 0.36778070 0.39738792
0.46332067 0.15248167 0.22921001
0.34439748 0.12872108 0.13860066
0.36069908 0.06226571 0.27211906
0.84945240 0.75945130 0.82265212
0.57053081 0.87101281 0.75641561
0.49821435 0.70687296 0.63570135
0.84593168 0.91000910 0.60749842
0.86558686 0.16353481 0.82900041
0.04888623 0.13936001 0.94134187
0.22184368 0.70113636 0.03344086
0.74672239 0.95277780 0.02806350
0.87421323 0.26329918 0.21463668
0.40893862 0.67370326 0.95592270
0.23388284 0.95122635 0.03862388
0.04079499 0.60522829 -0.06432594
0.74780065 0.98580113 0.75813765
0.54752479 0.54116588 0.47014080
0.86081445 0.74291103 0.43800599
0.15763221 0.75888278 0.00110222
0.70766907 0.62143615 0.43226188
No title
1
12.731900 0.030354 -1.199985
0.152355 10.663038 0.419463
-1.202700 0.738475 12.825609
C H O N
43 30 7 2
Direct configuration= 555
0.73701075 0.52882988 0.36949907
0.74411983 0.40171510 0.40938172
0.78768681 0.31300546 0.35559540
0.76725951 0.56600193 0.27275652
0.81035526 0.47710876 0.21892375
0.82411598 0.35199821 0.26259272
-0.01504543 0.26708693 0.22770930
0.03602286 0.16797889 0.19200676
0.14669087 0.16557783 0.20176882
0.04491723 0.36259781 0.27448938
0.15512042 0.35912720 0.28230676
0.20872848 0.26131436 0.24642836
0.33009234 0.26600220 0.25362209
0.35266413 0.37811470 0.17725394
0.42181734 0.47337222 0.20974012
0.44284880 0.57239829 0.13828105
0.30326499 0.38662538 0.06985023
0.32374350 0.48384193 -0.00280002
0.39475594 0.57671878 0.03158265
0.49939645 0.74585983 -0.02247877
0.48538789 0.87471172 -0.01686918
0.57493303 0.94903489 0.00121667
0.60103946 0.69048710 -0.01136857
0.68968923 0.76571606 0.00698821
0.67710404 0.89496421 0.01354210
0.38477441 0.27943948 0.36872207
0.37663063 0.14495287 0.22056161
0.15824538 0.89045755 -0.00065667
0.06200156 0.71513618 -0.05310212
0.99428907 0.83137608 0.90715459
0.89282781 0.84242895 0.84633052
0.84893588 0.96485628 0.81766355
0.71058776 0.89787381 0.68843650
0.61269958 0.84373136 0.69577010
0.57283435 0.75222189 0.62900721
0.63346316 0.71761705 0.55663651
0.61877838 0.61656825 0.48387838
0.77757613 0.71769668 0.46750537
0.72926865 0.77590760 0.54837282
0.77010446 0.86700628 0.61286252
0.90411037 0.07072420 0.85210476
0.00631676 0.05705705 0.91413976
0.05130755 0.93602303 0.94006651
0.79734126 0.21425866 0.38687051
0.71844024 0.37276558 0.48378124
0.75973972 0.66474366 0.24113049
0.83747212 0.50517427 0.14516832
0.18419402 0.08735355 0.17263935
-0.01136470 0.09303746 0.15711549
0.00672877 0.44000816 0.30399384
0.19999952 0.43615545 0.31669211
0.49723622 0.64513316 0.16582176
0.46102264 0.47282529 0.29229219
0.24689045 0.31564821 0.04215369
0.28531085 0.48859224 0.91411804
0.56449544 0.04971289 0.00627712
0.40518063 0.91477083 -0.02429054
0.60997778 0.58959775 0.98390807
0.76924470 0.72299900 0.01607548
0.47176279 0.27937314 0.37583217
0.36497754 0.19990932 0.42141457
0.36074774 0.36690894 0.39767192
0.46341746 0.15209927 0.22900059
0.34435126 0.12877189 0.13828982
0.36060729 0.06195251 0.27184904
0.84945192 0.75969981 0.82243993
0.57051231 0.87141411 0.75639680
0.49807192 0.70715713 0.63600161
0.84592464 0.91012169 0.60697832
0.86570222 0.16355690 0.82871289
0.04905509 0.13926518 0.94104279
0.22185796 0.70113382 0.03339433
0.74676169 0.95315825 0.02812119
0.87417609 0.26331712 0.21481015
0.40902212 0.67395807 0.95607063
0.23386423 0.95100121 0.03849557
0.04057085 0.60536611 -0.06443258
0.74787142 0.98603942 0.75782175
0.54728737 0.54136389 0.47045659
0.86058891 0.74290622 0.43753502
0.15758778 0.75886007 0.00100144
0.70749443 0.62154761 0.43213233
No title
1
12.724411 0.028411 -1.192400
0.151287 10.669531 0.423853
-1.195593 0.744689 12.813789
C H O N
43 30 7 2
Direct configuration= 556
0.73675467 0.52894813 0.36943187
0.74385243 0.40195862 0.40965182
0.78749316 0.31320214 0.35590560
0.76707439 0.56592806 0.27255175
0.81021443 0.47707596 0.21882700
0.82395793 0.35206509 0.26271136
-0.01504918 0.26696329 0.22797489
0.03591763 0.16779994 0.19237859
0.14668637 0.16532924 0.20210756
0.04487260 0.36243458 0.27455727
0.15525813 0.35875744 0.28230953
0.20877949 0.26093890 0.24649765
0.33016735 0.26557378 0.25356615
0.35284523 0.37792504 0.17729145
0.42192113 0.47306359 0.20992766
0.44281971 0.57230026 0.13853207
0.30361275 0.38646167 0.06979653
0.32398443 0.48385800 -0.00276860
0.39495523 0.57677295 0.03176665
0.49949128 0.74609097 -0.02227876
0.48537859 0.87490446 -0.01669545
0.57491054 0.94919437 0.00149780
0.60123391 0.69095002 -0.01122760
0.68980786 0.76622521 0.00708479
0.67713415 0.89536052 0.01364302
0.38507503 0.27851437 0.36895559
0.37660733 0.14471729 0.22030767
0.15823583 0.89044991 -0.00073421
0.06190896 0.71529575 -0.05323572
0.99428009 0.83145077 0.90696299
0.89279101 0.84265351 0.84609401
0.84897039 0.96507567 0.81734936
0.71062973 0.89818852 0.68812591
0.61261641 0.84407317 0.69572536
0.57267575 0.75248995 0.62914466
0.63329743 0.71785239 0.55666438
0.61850390 0.61678679 0.48393408
0.77737392 0.71785886 0.46714879
0.72906760 0.77602196 0.54814527
0.77005824 0.86719308 0.61248336
0.90422986 0.07071674 0.85180284
0.00642683 0.05703676 0.91384588
0.05139998 0.93604246 0.93986177
0.79717262 0.21451242 0.38743960
0.71812973 0.37312438 0.48416320
0.75957691 0.66457945 0.24072322
0.83742508 0.50492271 0.14493574
0.18408895 0.08685865 0.17310356
-0.01153960 0.09282181 0.15770043
0.00683573 0.43996363 0.30392676
0.20020934 0.43576079 0.31657932
0.49711687 0.64503954 0.16619694
0.46104643 0.47233947 0.29259589
0.24739533 0.31541331 0.04205065
0.28569035 0.48874076 0.91407181
0.56434174 0.04994186 0.00648520
0.40509001 0.91486878 -0.02400126
0.61024690 0.59014646 0.98400786
0.76949099 0.72364551 0.01618365
0.47197252 0.27860653 0.37581225
0.36526146 0.19887588 0.42149116
0.36092360 0.36584584 0.39801884
0.46353565 0.15163316 0.22874499
0.34429500 0.12883404 0.13791036
0.36049538 0.06157077 0.27151955
0.84945144 0.76000297 0.82218081
0.57048977 0.87190344 0.75637372
0.49789796 0.70750339 0.63636815
0.84591629 0.91025932 0.60634334
0.86584314 0.16358403 0.82836180
0.04926131 0.13914978 0.94067759
0.22187542 0.70113075 0.03333752
0.74680965 0.95362211 0.02819147
0.87413068 0.26333887 0.21502194
0.40912397 0.67426868 0.95625109
0.23384155 0.95072676 0.03833900
0.04029737 0.60553418 -0.06456269
0.74795794 0.98633019 0.75743599
0.54699747 0.54160507 0.47084218
0.86031388 0.74290061 0.43696017
0.15753361 0.75883245 0.00087844
0.70728135 0.62168355 0.43197423
No title
1
12.717252 0.026643 -1.185119
0.150327 10.675991 0.427914
-1.188746 0.750469 12.802673
C H O N
43 30 7 2
Direct configuration= 557
0.73649671 0.52900440 0.36941384
0.74361060 0.40213955 0.40988488
0.78730081 0.31343358 0.35623545
0.76687779 0.56597431 0.27236767
0.81011821 0.47704932 0.21868391
0.82379610 0.35206631 0.26284848
-0.01515620 0.26685443 0.22824699
0.03583391 0.16763047 0.19271593
0.14665368 0.16502801 0.20239125
0.04494567 0.36229852 0.27463397
0.15528975 0.35841302 0.28232030
0.20888572 0.26061598 0.24657722
0.33026317 0.26516903 0.25348664
0.35300165 0.37764417 0.17737610
0.42203685 0.47275881 0.21014243
0.44284951 0.57226874 0.13874685
0.30395318 0.38628765 0.06976026
0.32426828 0.48390242 -0.00274221
0.39508671 0.57683352 0.03187681
0.49950244 0.74629138 -0.02211045
0.48535022 0.87506938 -0.01651564
0.57489014 0.94945225 0.00171741
0.60140074 0.69134550 -0.01109516
0.68997976 0.76673997 0.00718762
0.67720372 0.89572024 0.01375943
0.38525925 0.27772898 0.36914355
0.37663535 0.14452859 0.22009173
0.15820296 0.89034568 -0.00085883
0.06178538 0.71537456 -0.05335821
0.99428023 0.83154637 0.90677089
0.89281922 0.84285575 0.84591987
0.84900674 0.96523017 0.81706138
0.71061757 0.89844389 0.68783665
0.61258357 0.84438074 0.69562813
0.57253890 0.75277771 0.62929523
0.63312338 0.71805631 0.55672750
0.61820282 0.61700501 0.48401141
0.77712136 0.71796306 0.46679695
0.72892946 0.77618343 0.54792402
0.76999905 0.86736446 0.61207999
0.90429841 0.07082347 0.85149315
0.00653944 0.05702310 0.91357840
0.05146701 0.93607522 0.93965038
0.79701320 0.21474896 0.38797710
0.71784302 0.37348240 0.48450691
0.75941680 0.66439317 0.24035416
0.83738041 0.50468965 0.14470147
0.18401124 0.08639087 0.17353611
-0.01169563 0.09262260 0.15825873
0.00693450 0.43992567 0.30387411
0.20041124 0.43541168 0.31648243
0.49698986 0.64495246 0.16655038
0.46107023 0.47187743 0.29288615
0.24787112 0.31519685 0.04194975
0.28602835 0.48890598 0.91399273
0.56420239 0.05010217 0.00669006
0.40501681 0.91495932 -0.02371676
0.61049242 0.59065069 0.98410708
0.76971400 0.72426381 0.01627508
0.47220814 0.27787074 0.37581272
0.36551110 0.19787672 0.42156427
0.36110024 0.36476634 0.39835736
0.46361119 0.15120021 0.22848434
0.34423538 0.12888786 0.13754395
0.36038654 0.06120656 0.27121281
0.84943842 0.76024496 0.82190450
0.57043588 0.87237140 0.75637588
0.49774238 0.70782539 0.63669986
0.84587716 0.91037126 0.60574701
0.86600316 0.16356317 0.82805279
0.04946714 0.13903191 0.94031717
0.22184468 0.70115163 0.03326569
0.74683519 0.95405394 0.02826188
0.87413450 0.26336035 0.21522551
0.40926362 0.67454969 0.95645995
0.23387882 0.95053966 0.03823559
0.04006569 0.60575089 -0.06467921
0.74803750 0.98667469 0.75706905
0.54672450 0.54182114 0.47118425
0.86010506 0.74290459 0.43641040
0.15748453 0.75877730 0.00077570
0.70710633 0.62185051 0.43184794
No title
1
12.710827 0.025055 -1.178585
0.149466 10.681789 0.431558
-1.182601 0.755655 12.792697
C H O N
43 30 7 2
Direct configuration= 558
0.73626511 0.52905483 0.36939775
0.74339339 0.40230165 0.41009427
0.78712798 0.31364094 0.35653174
0.76670136 0.56601586 0.27220242
0.81003188 0.47702549 0.21855546
0.82365075 0.35206731 0.26297171
-0.01525240 0.26675663 0.22849145
0.03575859 0.16747828 0.19301900
0.14662420 0.16475768 0.20264613
0.04501124 0.36217647 0.27470287
0.15531811 0.35810412 0.28233005
0.20898105 0.26032635 0.24664871
0.33034921 0.26480608 0.25341528
0.35314204 0.37739224 0.17745213
0.42214065 0.47248536 0.21033535
0.44287618 0.57224036 0.13893975
0.30425883 0.38613166 0.06972757
0.32452313 0.48394230 -0.00271866
0.39520471 0.57688781 0.03197567
0.49951241 0.74647103 -0.02195934
0.48532468 0.87521719 -0.01635416
0.57487174 0.94968340 0.00191460
0.60155049 0.69170015 -0.01097639
0.69013408 0.76720162 0.00727976
0.67726614 0.89604280 0.01386384
0.38542454 0.27702453 0.36931249
0.37666058 0.14435947 0.21989781
0.15817348 0.89025227 -0.00097071
0.06167447 0.71544529 -0.05346819
0.99428044 0.83163221 0.90659833
0.89284463 0.84303722 0.84576340
0.84903951 0.96536889 0.81680267
0.71060679 0.89867308 0.68757679
0.61255414 0.84465664 0.69554074
0.57241599 0.75303569 0.62943046
0.63296709 0.71823914 0.55678422
0.61793247 0.61720063 0.48408095
0.77689475 0.71805666 0.46648103
0.72880553 0.77632834 0.54772533
0.76994607 0.86751836 0.61171769
0.90436008 0.07091937 0.85121494
0.00664066 0.05701101 0.91333812
0.05152729 0.93610472 0.93946047
0.79686986 0.21496080 0.38845987
0.71758548 0.37380326 0.48481565
0.75927320 0.66422627 0.24002282
0.83734038 0.50448074 0.14449114
0.18394127 0.08597109 0.17392477
-0.01183595 0.09244361 0.15876029
0.00702320 0.43989167 0.30382679
0.20059253 0.43509867 0.31639541
0.49687568 0.64487415 0.16686791
0.46109147 0.47146289 0.29314696
0.24829834 0.31500286 0.04185896
0.28633186 0.48905426 0.91392149
0.56407719 0.05024582 0.00687407
0.40495098 0.91504035 -0.02346121
0.61071285 0.59110291 0.98419594
0.76991422 0.72481833 0.01635694
0.47241965 0.27721089 0.37581321
0.36573515 0.19698063 0.42163009
0.36125864 0.36379802 0.39866160
0.46367910 0.15081206 0.22825032
0.34418199 0.12893631 0.13721487
0.36028892 0.06088005 0.27093746
0.84942685 0.76046213 0.82165627
0.57038753 0.87279108 0.75637773
0.49760257 0.70811397 0.63699778
0.84584227 0.91047198 0.60521142
0.86614696 0.16354466 0.82777518
0.04965209 0.13892642 0.93999339
0.22181711 0.70117039 0.03320119
0.74685811 0.95444119 0.02832500
0.87413786 0.26337952 0.21540833
0.40938894 0.67480162 0.95664740
0.23391231 0.95037191 0.03814273
0.03985775 0.60594527 -0.06478381
0.74810910 0.98698387 0.75673935
0.54647928 0.54201470 0.47149156
0.85991780 0.74290842 0.43591672
0.15744050 0.75872788 0.00068346
0.70694925 0.62200029 0.43173456
No title
1
12.705558 0.023971 -1.172728
0.148964 10.687000 0.434604
-1.177127 0.760015 12.783666
C H O N
43 30 7 2
Direct configuration= 559
0.73607938 0.52910924 0.36938195
0.74320352 0.40244961 0.41025302
0.78700432 0.31371419 0.35680205
0.76656555 0.56595236 0.27208936
0.80995824 0.47695028 0.21849204
0.82353234 0.35210575 0.26307361
-0.01529949 0.26666719 0.22870384
0.03569838 0.16736133 0.19328585
0.14659910 0.16443237 0.20281172
0.04508783 0.36206684 0.27476537
0.15538698 0.35793091 0.28238221
0.20903943 0.26006930 0.24671253
0.33050293 0.26450898 0.25347736
0.35329004 0.37709883 0.17754412
0.42221545 0.47227127 0.21049058
0.44292391 0.57215745 0.13910259
0.30452765 0.38600112 0.06974104
0.32478040 0.48399638 -0.00276317
0.39526837 0.57696675 0.03204061
0.49957368 0.74671344 -0.02182972
0.48531461 0.87533034 -0.01617433
0.57483774 0.94991278 0.00200281
0.60164944 0.69203217 -0.01087457
0.69028467 0.76755668 0.00736391
0.67733145 0.89637209 0.01398168
0.38546395 0.27645268 0.36929824
0.37670172 0.14415098 0.21969738
0.15819769 0.89008717 -0.00110942
0.06157245 0.71548468 -0.05354839
0.99431721 0.83177793 0.90646523
0.89285111 0.84313577 0.84561693
0.84909938 0.96547556 0.81661221
0.71055798 0.89886314 0.68738001
0.61253601 0.84494955 0.69551972
0.57231260 0.75326282 0.62953400
0.63283105 0.71835454 0.55682274
0.61775043 0.61742246 0.48419676
0.77670891 0.71810763 0.46619625
0.72873756 0.77648081 0.54751841
0.76989524 0.86766943 0.61137679
0.90443690 0.07099319 0.85099358
0.00670816 0.05700449 0.91312178
0.05152207 0.93609250 0.93927274
0.79674083 0.21520471 0.38884957
0.71737435 0.37408730 0.48506730
0.75913109 0.66416248 0.23973591
0.83731389 0.50432491 0.14427375
0.18389438 0.08564676 0.17425205
-0.01193994 0.09230296 0.15919066
0.00710279 0.43986312 0.30380152
0.20071378 0.43481411 0.31631013
0.49679477 0.64485617 0.16714388
0.46111450 0.47111147 0.29337483
0.24865150 0.31483939 0.04176751
0.28658171 0.48920658 0.91384710
0.56398260 0.05031190 0.00704449
0.40491154 0.91509935 -0.02323488
0.61089763 0.59145012 0.98427915
0.77008022 0.72529810 0.01641168
0.47262367 0.27663783 0.37583820
0.36589548 0.19618685 0.42169109
0.36138282 0.36296147 0.39896334
0.46370140 0.15050576 0.22802746
0.34415864 0.12897750 0.13698118
0.36020703 0.06064938 0.27068697
0.84942471 0.76064002 0.82142744
0.57034119 0.87313304 0.75636577
0.49748772 0.70835637 0.63723879
0.84578725 0.91054263 0.60475726
0.86626410 0.16356408 0.82754038
0.04982763 0.13884286 0.93971067
0.22174483 0.70119764 0.03313058
0.74686689 0.95476453 0.02838676
0.87404490 0.26341182 0.21558663
0.40944532 0.67493602 0.95680959
0.23397406 0.95027960 0.03810565
0.03969960 0.60610656 -0.06486865
0.74814787 0.98724972 0.75641722
0.54624033 0.54213649 0.47170773
0.85980601 0.74294187 0.43550486
0.15736704 0.75870416 0.00060760
0.70670583 0.62212348 0.43170452
No title
1
12.697646 0.022343 -1.163934
0.148210 10.694826 0.439177
-1.168907 0.766563 12.770104
C H O N
43 30 7 2
Direct configuration= 560
0.73580038 0.52919088 0.36935830
0.74291822 0.40267154 0.41049165
0.78681842 0.31382392 0.35720829
0.76636158 0.56585709 0.27191956
0.80984766 0.47683741 0.21839681
0.82335441 0.35216334 0.26322681
-0.01537036 0.26653280 0.22902306
0.03560778 0.16718560 0.19368693
0.14656128 0.16394399 0.20306066
0.04520285 0.36190225 0.27485928
0.15549041 0.35767091 0.28246060
0.20912709 0.25968345 0.24680848
0.33073381 0.26406305 0.25357065
0.35351229 0.37665840 0.17768235
0.42232773 0.47194984 0.21072387
0.44299552 0.57203291 0.13934728
0.30493147 0.38580522 0.06976115
0.32516691 0.48407762 -0.00283023
0.39536398 0.57708520 0.03213813
0.49966565 0.74707719 -0.02163506
0.48529938 0.87550004 -0.01590414
0.57478662 0.95025699 0.00213532
0.60179804 0.69253046 -0.01072173
0.69051085 0.76808957 0.00749015
0.67742951 0.89686627 0.01415859
0.38552313 0.27559440 0.36927699
0.37676363 0.14383821 0.21939625
0.15823412 0.88983947 -0.00131781
0.06141924 0.71554383 -0.05366884
0.99437254 0.83199674 0.90626514
0.89286092 0.84328380 0.84539678
0.84918944 0.96563579 0.81632593
0.71048477 0.89914855 0.68708430
0.61250880 0.84538918 0.69548805
0.57215723 0.75360365 0.62968957
0.63262667 0.71852768 0.55688067
0.61747691 0.61775529 0.48437083
0.77642991 0.71818428 0.46576842
0.72863557 0.77670980 0.54720746
0.76981908 0.86789640 0.61086451
0.90455241 0.07110416 0.85066088
0.00680969 0.05699486 0.91279666
0.05151433 0.93607428 0.93899066
0.79654679 0.21557052 0.38943515
0.71705707 0.37451341 0.48544549
0.75891778 0.66406691 0.23930489
0.83727421 0.50409116 0.14394716
0.18382376 0.08515972 0.17474399
-0.01209639 0.09209155 0.15983748
0.00722235 0.43982030 0.30376350
0.20089597 0.43438709 0.31618198
0.49667306 0.64482898 0.16755864
0.46114898 0.47058385 0.29371736
0.24918207 0.31459416 0.04162992
0.28695707 0.48943530 0.91373511
0.56384042 0.05041095 0.00730061
0.40485216 0.91518775 -0.02289476
0.61117518 0.59197123 0.98440395
0.77032958 0.72601820 0.01649368
0.47293011 0.27577772 0.37587581
0.36613627 0.19499544 0.42178290
0.36156917 0.36170568 0.39941695
0.46373501 0.15004619 0.22769265
0.34412369 0.12903947 0.13663003
0.36008414 0.06030333 0.27031068
0.84942163 0.76090718 0.82108354
0.57027160 0.87364629 0.75634772
0.49731508 0.70872000 0.63760093
0.84570484 0.91064896 0.60407482
0.86644018 0.16359340 0.82718747
0.05009149 0.13871766 0.93928576
0.22163629 0.70123858 0.03302451
0.74688005 0.95524981 0.02847945
0.87390517 0.26346017 0.21585460
0.40952994 0.67513764 0.95705322
0.23406684 0.95014107 0.03804992
0.03946209 0.60634868 -0.06499609
0.74820630 0.98764898 0.75593305
0.54588128 0.54231911 0.47203266
0.85963830 0.74299234 0.43488603
0.15725672 0.75866859 0.00049366
0.70634019 0.62230836 0.43165948
No title
1
12.700182 0.022865 -1.166752
0.148452 10.692318 0.437711
-1.171542 0.764464 12.774451
C H O N
43 30 7 2
Direct configuration= 561
0.73588985 0.52916474 0.36936583
0.74300975 0.40260053 0.41041505
0.78687811 0.31378888 0.35707793
0.76642696 0.56588758 0.27197399
0.80988310 0.47687354 0.21842732
0.82341150 0.35214494 0.26317763
-0.01534758 0.26657592 0.22892062
0.03563691 0.16724197 0.19355822
0.14657345 0.16410046 0.20298073
0.04516598 0.36195498 0.27482916
0.15545726 0.35775419 0.28243544
0.20909900 0.25980704 0.24677767
0.33065979 0.26420588 0.25354072
0.35344105 0.37679948 0.17763800
0.42229177 0.47205283 0.21064902
0.44297260 0.57207284 0.13926878
0.30480198 0.38586794 0.06975476
0.32504295 0.48405156 -0.00280863
0.39533334 0.57704728 0.03210688
0.49963618 0.74696073 -0.02169746
0.48530431 0.87544575 -0.01599081
0.57480303 0.95014678 0.00209283
0.60175041 0.69237090 -0.01077068
0.69043834 0.76791891 0.00744975
0.67739809 0.89670803 0.01410190
0.38550416 0.27586927 0.36928373
0.37674373 0.14393831 0.21949284
0.15822241 0.88991876 -0.00125097
0.06146835 0.71552487 -0.05363022
0.99435476 0.83192661 0.90632937
0.89285774 0.84323634 0.84546743
0.84916051 0.96558440 0.81641781
0.71050819 0.89905708 0.68717919
0.61251751 0.84524838 0.69549825
0.57220708 0.75349454 0.62963966
0.63269222 0.71847226 0.55686206
0.61756465 0.61764875 0.48431496
0.77651930 0.71815966 0.46590563
0.72866822 0.77663640 0.54730722
0.76984341 0.86782360 0.61102887
0.90451531 0.07106854 0.85076766
0.00677708 0.05699787 0.91290099
0.05151676 0.93608005 0.93908116
0.79660912 0.21545350 0.38924727
0.71715888 0.37437704 0.48532413
0.75898611 0.66409744 0.23944312
0.83728688 0.50416595 0.14405191
0.18384650 0.08531582 0.17458609
-0.01204611 0.09215941 0.15962990
0.00718400 0.43983400 0.30377572
0.20083753 0.43452381 0.31622309
0.49671216 0.64483779 0.16742555
0.46113799 0.47075290 0.29360742
0.24901191 0.31467264 0.04167414
0.28683668 0.48936200 0.91377114
0.56388606 0.05037929 0.00721842
0.40487126 0.91515951 -0.02300389
0.61108619 0.59180434 0.98436402
0.77024962 0.72578758 0.01646750
0.47283186 0.27605318 0.37586372
0.36605908 0.19537702 0.42175337
0.36150951 0.36210797 0.39927132
0.46372418 0.15019330 0.22780002
0.34413483 0.12901955 0.13674269
0.36012348 0.06041408 0.27043134
0.84942255 0.76082154 0.82119391
0.57029390 0.87348191 0.75635355
0.49737050 0.70860363 0.63748475
0.84573115 0.91061476 0.60429377
0.86638365 0.16358392 0.82730073
0.05000680 0.13875765 0.93942213
0.22167108 0.70122545 0.03305852
0.74687584 0.95509441 0.02844976
0.87395002 0.26344475 0.21576860
0.40950285 0.67507312 0.95697509
0.23403708 0.95018542 0.03806781
0.03953823 0.60627113 -0.06495522
0.74818748 0.98752100 0.75608844
0.54599648 0.54226071 0.47192836
0.85969198 0.74297605 0.43508454
0.15729208 0.75867996 0.00053019
0.70645743 0.62224916 0.43167387
No title
1
12.694772 0.021697 -1.161065
0.147846 10.696877 0.440472
-1.166214 0.768444 12.765590
C H O N
43 30 7 2
Direct configuration= 562
0.73570899 0.52923889 0.36936651
0.74283890 0.40272739 0.41055466
0.78676822 0.31389521 0.35729259
0.76631085 0.56581899 0.27186386
0.80981584 0.47679399 0.21836955
0.82330738 0.35217560 0.26330786
-0.01533802 0.26650188 0.22910935
0.03558200 0.16711196 0.19380856
0.14656734 0.16386497 0.20315917
0.04518789 0.36186288 0.27489353
0.15557897 0.35756041 0.28247234
0.20909744 0.25953956 0.24683677
0.33079495 0.26389095 0.25362057
0.35363225 0.37654875 0.17771866
0.42234222 0.47184828 0.21078214
0.44302237 0.57194924 0.13942837
0.30505308 0.38577934 0.06974718
0.32528046 0.48404315 -0.00284217
0.39540253 0.57712010 0.03220600
0.49971641 0.74720225 -0.02156918
0.48530906 0.87559054 -0.01580330
0.57478129 0.95028760 0.00213103
0.60187300 0.69268793 -0.01067125
0.69052026 0.76825895 0.00752746
0.67741745 0.89699585 0.01420872
0.38559065 0.27527319 0.36927367
0.37676615 0.14371727 0.21930960
0.15834916 0.88986233 -0.00135658
0.06137757 0.71563277 -0.05370489
0.99434318 0.83201755 0.90618458
0.89284025 0.84334035 0.84530352
0.84920278 0.96567800 0.81623570
0.71049481 0.89926084 0.68699944
0.61246111 0.84552174 0.69550538
0.57212314 0.75370826 0.62972846
0.63260262 0.71861536 0.55690218
0.61732126 0.61774656 0.48443448
0.77642947 0.71824039 0.46563533
0.72857360 0.77675155 0.54708310
0.76976362 0.86797522 0.61072086
0.90460621 0.07108668 0.85058120
0.00684334 0.05699405 0.91269707
0.05154632 0.93608032 0.93892527
0.79649135 0.21566091 0.38961219
0.71696557 0.37464242 0.48555621
0.75884421 0.66404658 0.23919131
0.83725415 0.50402449 0.14386319
0.18382698 0.08499594 0.17486613
-0.01213491 0.09204308 0.16002958
0.00726518 0.43979513 0.30375969
0.20094815 0.43428961 0.31615502
0.49664063 0.64484070 0.16767676
0.46116082 0.47043521 0.29381578
0.24933891 0.31453558 0.04158225
0.28706387 0.48951893 0.91368776
0.56379962 0.05045270 0.00738419
0.40484261 0.91520330 -0.02278742
0.61124809 0.59213290 0.98444786
0.77042189 0.72622115 0.01651023
0.47296499 0.27552027 0.37589331
0.36619034 0.19467416 0.42177368
0.36160258 0.36135491 0.39957937
0.46375424 0.14992770 0.22757804
0.34412384 0.12905693 0.13654128
0.36005086 0.06022842 0.27019207
0.84942921 0.76098229 0.82097623
0.57024622 0.87379291 0.75634299
0.49726514 0.70882951 0.63770326
0.84568758 0.91068916 0.60387214
0.86647904 0.16364626 0.82707673
0.05017796 0.13867850 0.93915726
0.22158254 0.70124099 0.03299037
0.74690551 0.95541315 0.02852064
0.87381084 0.26347061 0.21594292
0.40953872 0.67521499 0.95708940
0.23401092 0.95002520 0.03800057
0.03939444 0.60636802 -0.06503209
0.74823897 0.98774113 0.75577961
0.54583965 0.54244715 0.47211863
0.85955462 0.74299761 0.43472148
0.15721797 0.75866146 0.00046959
0.70619667 0.62232502 0.43164150
No title
1
12.689798 0.020623 -1.155835
0.147290 10.701068 0.443011
-1.161314 0.772103 12.757442
C H O N
43 30 7 2
Direct configuration= 563
0.73554261 0.52930703 0.36936719
0.74268169 0.40284392 0.41068317
0.78666706 0.31399287 0.35749015
0.76620407 0.56575597 0.27176257
0.80975397 0.47672088 0.21831643
0.82321155 0.35220372 0.26342774
-0.01532929 0.26643375 0.22928303
0.03553140 0.16699234 0.19403898
0.14656165 0.16364843 0.20332342
0.04520802 0.36177820 0.27495277
0.15569092 0.35738229 0.28250628
0.20909598 0.25929366 0.24689121
0.33091924 0.26360145 0.25369406
0.35380812 0.37631827 0.17779285
0.42238857 0.47166022 0.21090466
0.44306810 0.57183557 0.13957523
0.30528407 0.38569793 0.06974013
0.32549897 0.48403546 -0.00287313
0.39546615 0.57718700 0.03229717
0.49979017 0.74742423 -0.02145121
0.48531338 0.87572356 -0.01563077
0.57476129 0.95041703 0.00216616
0.60198576 0.69297934 -0.01057987
0.69059562 0.76857149 0.00759887
0.67743523 0.89726037 0.01430695
0.38567021 0.27472527 0.36926449
0.37678683 0.14351417 0.21914100
0.15846580 0.88981052 -0.00145380
0.06129409 0.71573197 -0.05377360
0.99433257 0.83210119 0.90605132
0.89282421 0.84343602 0.84515268
0.84924173 0.96576410 0.81606809
0.71048257 0.89944820 0.68683401
0.61240922 0.84577301 0.69551192
0.57204590 0.75390466 0.62981017
0.63252019 0.71874688 0.55693911
0.61709733 0.61783639 0.48454455
0.77634692 0.71831470 0.46538662
0.72848663 0.77685747 0.54687687
0.76969033 0.86811470 0.61043743
0.90468989 0.07110344 0.85040957
0.00690435 0.05699062 0.91250939
0.05157356 0.93608062 0.93878180
0.79638290 0.21585142 0.38994800
0.71678767 0.37488625 0.48576980
0.75871374 0.66399992 0.23895965
0.83722409 0.50389452 0.14368957
0.18380892 0.08470179 0.17512390
-0.01221673 0.09193598 0.16039743
0.00733987 0.43975942 0.30374492
0.20104992 0.43407436 0.31609239
0.49657475 0.64484327 0.16790795
0.46118174 0.47014311 0.29400758
0.24963977 0.31440968 0.04149760
0.28727290 0.48966324 0.91361092
0.56372005 0.05052011 0.00753677
0.40481619 0.91524347 -0.02258822
0.61139702 0.59243490 0.98452489
0.77058036 0.72661971 0.01654941
0.47308744 0.27503042 0.37592058
0.36631106 0.19402809 0.42179245
0.36168807 0.36066259 0.39986296
0.46378196 0.14968365 0.22737380
0.34411380 0.12909138 0.13635594
0.35998413 0.06005783 0.26997195
0.84943541 0.76113014 0.82077590
0.57020236 0.87407879 0.75633323
0.49716814 0.70903703 0.63790434
0.84564765 0.91075770 0.60348415
0.86656687 0.16370365 0.82687056
0.05033549 0.13860587 0.93891347
0.22150112 0.70125528 0.03292769
0.74693279 0.95570613 0.02858579
0.87368274 0.26349430 0.21610338
0.40957169 0.67534536 0.95719456
0.23398688 0.94987794 0.03793873
0.03926220 0.60645710 -0.06510278
0.74828645 0.98794360 0.75549536
0.54569532 0.54261843 0.47229375
0.85942839 0.74301755 0.43438743
0.15714982 0.75864446 0.00041385
0.70595680 0.62239473 0.43161179
No title
1
12.684513 0.019585 -1.149953
0.146804 10.705372 0.445782
-1.155787 0.776058 12.748654
C H O N
43 30 7 2
Direct configuration= 564
0.73534582 0.52937907 0.36938968
0.74251749 0.40298263 0.41081994
0.78654331 0.31416882 0.35768630
0.76608775 0.56575407 0.27163374
0.80969118 0.47666707 0.21823947
0.82312896 0.35222228 0.26357667
-0.01533543 0.26637352 0.22944476
0.03550151 0.16683498 0.19429385
0.14654941 0.16348553 0.20352557
0.04524040 0.36168863 0.27502751
0.15578342 0.35712346 0.28250695
0.20910881 0.25902399 0.24697189
0.33098451 0.26322532 0.25369894
0.35403689 0.37610899 0.17784036
0.42243665 0.47142777 0.21106083
0.44313892 0.57172625 0.13974667
0.30552859 0.38561300 0.06969977
0.32572338 0.48397609 -0.00287507
0.39555613 0.57722169 0.03243700
0.49985338 0.74763291 -0.02131683
0.48531047 0.87587439 -0.01545019
0.57475247 0.95054067 0.00219257
0.60212928 0.69325951 -0.01048512
0.69065797 0.76893428 0.00768292
0.67744086 0.89749125 0.01439458
0.38584076 0.27409416 0.36938121
0.37679272 0.14332310 0.21899149
0.15846531 0.88977208 -0.00162297
0.06119978 0.71581202 -0.05386587
0.99426680 0.83213128 0.90589381
0.89277334 0.84358553 0.84494693
0.84925043 0.96585385 0.81586374
0.71048920 0.89967090 0.68664498
0.61232336 0.84600635 0.69549697
0.57198006 0.75414224 0.62991610
0.63245201 0.71892532 0.55697702
0.61693168 0.61795000 0.48468234
0.77619898 0.71838824 0.46517135
0.72836282 0.77696249 0.54664681
0.76957553 0.86825835 0.61013471
0.90475285 0.07111374 0.85022213
0.00701635 0.05696303 0.91232705
0.05167212 0.93610330 0.93865374
0.79627298 0.21601053 0.39031432
0.71659791 0.37513909 0.48600345
0.75856781 0.66390413 0.23874339
0.83717287 0.50374503 0.14354816
0.18381258 0.08437839 0.17537291
-0.01230715 0.09182722 0.16078241
0.00741639 0.43971847 0.30374227
0.20118157 0.43390111 0.31604918
0.49648650 0.64482878 0.16813677
0.46119848 0.46984431 0.29419478
0.24997103 0.31430763 0.04140565
0.28749689 0.48982896 0.91351910
0.56363860 0.05059809 0.00770015
0.40478796 0.91528071 -0.02236717
0.61154248 0.59280039 0.98461608
0.77074513 0.72704481 0.01658105
0.47314929 0.27450413 0.37594860
0.36642150 0.19338540 0.42175746
0.36176069 0.35991013 0.40017301
0.46384182 0.14943927 0.22713835
0.34410128 0.12912171 0.13613937
0.35991340 0.05986593 0.26975038
0.84944585 0.76127847 0.82055607
0.57012887 0.87439399 0.75635913
0.49706810 0.70926310 0.63811398
0.84561871 0.91084974 0.60306710
0.86666179 0.16376985 0.82665169
0.05050687 0.13852573 0.93865005
0.22140451 0.70122818 0.03286659
0.74697660 0.95603426 0.02867068
0.87356966 0.26348481 0.21627822
0.40963070 0.67556512 0.95726466
0.23403787 0.94974367 0.03791397
0.03913994 0.60660089 -0.06516238
0.74838435 0.98813524 0.75521012
0.54545958 0.54274355 0.47246268
0.85935524 0.74304665 0.43400426
0.15708737 0.75864953 0.00036696
0.70574409 0.62243295 0.43152929
No title
1
12.678993 0.018501 -1.143808
0.146297 10.709866 0.448677
-1.150013 0.780189 12.739473
C H O N
43 30 7 2
Direct configuration= 565
0.73514017 0.52945426 0.36941326
0.74234587 0.40312738 0.41096294
0.78641391 0.31435243 0.35789135
0.76596626 0.56575212 0.27149914
0.80962558 0.47661092 0.21815907
0.82304261 0.35224159 0.26373237
-0.01534191 0.26631057 0.22961382
0.03547018 0.16667056 0.19456030
0.14653654 0.16331535 0.20373691
0.04527421 0.36159507 0.27510563
0.15588007 0.35685321 0.28250767
0.20912217 0.25874238 0.24705628
0.33105270 0.26283260 0.25370410
0.35427593 0.37589048 0.17788996
0.42248682 0.47118501 0.21122410
0.44321286 0.57161203 0.13992586
0.30578411 0.38552436 0.06965750
0.32595788 0.48391414 -0.00287720
0.39565009 0.57725786 0.03258312
0.49991939 0.74785077 -0.02117645
0.48530737 0.87603179 -0.01526147
0.57474326 0.95066976 0.00222016
0.60227922 0.69355204 -0.01038622
0.69072310 0.76931305 0.00777066
0.67744671 0.89773229 0.01448612
0.38601891 0.27343516 0.36950327
0.37679893 0.14312365 0.21883525
0.15846486 0.88973202 -0.00179979
0.06110127 0.71589563 -0.05396229
0.99419814 0.83216275 0.90572920
0.89272026 0.84374173 0.84473186
0.84925960 0.96594764 0.81565012
0.71049621 0.89990351 0.68644735
0.61223366 0.84624999 0.69548134
0.57191122 0.75439025 0.63002680
0.63238076 0.71911161 0.55701665
0.61675853 0.61806854 0.48482643
0.77604449 0.71846510 0.46494639
0.72823354 0.77707223 0.54640637
0.76945570 0.86840846 0.60981831
0.90481871 0.07112457 0.85002617
0.00713346 0.05693432 0.91213641
0.05177515 0.93612704 0.93851983
0.79615799 0.21617650 0.39069724
0.71639953 0.37540296 0.48624771
0.75841540 0.66380418 0.23851744
0.83711940 0.50358899 0.14340041
0.18381630 0.08404061 0.17563325
-0.01240178 0.09171348 0.16118488
0.00749636 0.43967573 0.30373948
0.20131915 0.43372025 0.31600399
0.49639420 0.64481353 0.16837600
0.46121589 0.46953224 0.29439051
0.25031722 0.31420117 0.04130941
0.28773099 0.49000206 0.91342299
0.56355343 0.05067944 0.00787094
0.40475838 0.91531949 -0.02213611
0.61169445 0.59318201 0.98471125
0.77091731 0.72748869 0.01661397
0.47321390 0.27395459 0.37597797
0.36653690 0.19271435 0.42172098
0.36183642 0.35912432 0.40049723
0.46390446 0.14918421 0.22689227
0.34408828 0.12915348 0.13591300
0.35983957 0.05966564 0.26951886
0.84945685 0.76143344 0.82032627
0.57005206 0.87472309 0.75638618
0.49696349 0.70949904 0.63833312
0.84558864 0.91094602 0.60263116
0.86676106 0.16383908 0.82642287
0.05068606 0.13844220 0.93837465
0.22130358 0.70119989 0.03280278
0.74702235 0.95637684 0.02875932
0.87345143 0.26347482 0.21646103
0.40969235 0.67579457 0.95733786
0.23409115 0.94960348 0.03788810
0.03901222 0.60675103 -0.06522465
0.74848677 0.98833549 0.75491188
0.54521317 0.54287409 0.47263933
0.85927896 0.74307720 0.43360377
0.15702212 0.75865483 0.00031797
0.70552184 0.62247287 0.43144314
No title
1
12.672915 0.017062 -1.137242
0.145508 10.714499 0.451682
-1.143825 0.784503 12.729883
C H O N
43 30 7 2
Direct configuration= 566
0.73493709 0.52950340 0.36937116
0.74214450 0.40333832 0.41114424
0.78626011 0.31447916 0.35816371
0.76583037 0.56574247 0.27137957
0.80953418 0.47659570 0.21811499
0.82298723 0.35230485 0.26383730
-0.01542208 0.26623842 0.22975838
0.03544744 0.16652646 0.19486686
0.14653162 0.16302701 0.20393002
0.04535153 0.36145959 0.27518053
0.15592131 0.35664730 0.28253042
0.20924854 0.25846381 0.24717853
0.33109230 0.26243031 0.25364618
0.35448892 0.37562119 0.17789563
0.42258369 0.47093579 0.21142583
0.44329745 0.57153556 0.14012720
0.30605687 0.38536817 0.06962080
0.32620471 0.48391680 -0.00290307
0.39577679 0.57726981 0.03270598
0.49998397 0.74804027 -0.02102595
0.48529667 0.87612690 -0.01509714
0.57470880 0.95089697 0.00228135
0.60239126 0.69387438 -0.01029109
0.69087890 0.76964565 0.00787774
0.67753114 0.89802139 0.01456362
0.38615265 0.27281878 0.36971382
0.37681752 0.14296161 0.21867321
0.15842432 0.88972934 -0.00196326
0.06100675 0.71596818 -0.05408080
0.99414144 0.83225460 0.90558047
0.89266357 0.84388646 0.84447935
0.84925777 0.96610317 0.81540338
0.71043816 0.90012143 0.68622345
0.61217466 0.84652880 0.69545595
0.57181561 0.75464296 0.63015338
0.63225969 0.71928030 0.55702898
0.61660541 0.61813672 0.48494269
0.77592316 0.71852416 0.46468513
0.72810237 0.77724630 0.54619051
0.76937722 0.86858536 0.60946855
0.90486922 0.07116944 0.84982112
0.00728290 0.05687478 0.91194113
0.05183890 0.93608242 0.93832855
0.79603704 0.21637210 0.39108129
0.71619209 0.37565961 0.48651053
0.75824730 0.66368613 0.23829958
0.83705154 0.50341910 0.14327152
0.18380747 0.08376974 0.17590514
-0.01251215 0.09157977 0.16158704
0.00756995 0.43964164 0.30375835
0.20146085 0.43351897 0.31595167
0.49627711 0.64476366 0.16860725
0.46122813 0.46921658 0.29459130
0.25068615 0.31411978 0.04120876
0.28799660 0.49018503 0.91334895
0.56347820 0.05074086 0.00803808
0.40470558 0.91536946 -0.02188452
0.61184957 0.59359957 0.98481889
0.77104299 0.72798164 0.01663620
0.47331264 0.27337014 0.37601352
0.36662716 0.19198207 0.42167822
0.36191012 0.35823569 0.40082237
0.46398387 0.14893298 0.22661742
0.34407077 0.12917107 0.13564965
0.35976032 0.05939759 0.26931686
0.84946184 0.76159559 0.82007549
0.56993601 0.87507875 0.75646234
0.49687458 0.70976153 0.63855669
0.84553499 0.91105152 0.60216979
0.86688644 0.16386123 0.82619706
0.05087588 0.13836180 0.93808571
0.22120123 0.70111586 0.03275134
0.74703224 0.95670170 0.02885933
0.87342665 0.26340821 0.21665939
0.40977576 0.67606208 0.95742630
0.23417586 0.94944545 0.03786292
0.03889584 0.60692827 -0.06527313
0.74861343 0.98853619 0.75461313
0.54491894 0.54302202 0.47284209
0.85913929 0.74308174 0.43320528
0.15693260 0.75869959 0.00024963
0.70536682 0.62257289 0.43135725
No title
1
12.664602 0.015093 -1.128263
0.144428 10.720833 0.455791
-1.135362 0.790402 12.716768
C H O N
43 30 7 2
Direct configuration= 567
0.73465929 0.52957054 0.36931367
0.74186891 0.40362650 0.41139241
0.78604955 0.31465217 0.35853651
0.76564452 0.56572933 0.27121603
0.80940915 0.47657490 0.21805472
0.82291140 0.35239125 0.26398091
-0.01553184 0.26613969 0.22995628
0.03541614 0.16632930 0.19528645
0.14652475 0.16263274 0.20419437
0.04545728 0.36127436 0.27528303
0.15597771 0.35636583 0.28256159
0.20942135 0.25808298 0.24734582
0.33114647 0.26188046 0.25356700
0.35478030 0.37525313 0.17790333
0.42271608 0.47059502 0.21170191
0.44341305 0.57143091 0.14040269
0.30643004 0.38515475 0.06957043
0.32654242 0.48392052 -0.00293864
0.39595007 0.57728610 0.03287404
0.50007226 0.74829924 -0.02082009
0.48528195 0.87625681 -0.01487227
0.57466164 0.95120751 0.00236504
0.60254451 0.69431497 -0.01016108
0.69109201 0.77010027 0.00802408
0.67764663 0.89841655 0.01466954
0.38633545 0.27197612 0.37000206
0.37684305 0.14274020 0.21845149
0.15836894 0.88972577 -0.00218694
0.06087752 0.71606741 -0.05424295
0.99406394 0.83238023 0.90537694
0.89258617 0.84408445 0.84413379
0.84925541 0.96631592 0.81506566
0.71035888 0.90041946 0.68591701
0.61209398 0.84690992 0.69542118
0.57168475 0.75498830 0.63032661
0.63209406 0.71951085 0.55704588
0.61639586 0.61822982 0.48510187
0.77575733 0.71860503 0.46432767
0.72792305 0.77748433 0.54589515
0.76927008 0.86882737 0.60898990
0.90493845 0.07123092 0.84954045
0.00748746 0.05679354 0.91167381
0.05192622 0.93602156 0.93806675
0.79587135 0.21663921 0.39160690
0.71590816 0.37601023 0.48687027
0.75801744 0.66352485 0.23800159
0.83695877 0.50318693 0.14309523
0.18379523 0.08339930 0.17627730
-0.01266340 0.09139673 0.16213751
0.00767062 0.43959505 0.30378413
0.20165473 0.43324389 0.31588003
0.49611677 0.64469532 0.16892382
0.46124474 0.46878496 0.29486618
0.25119094 0.31400868 0.04107081
0.28836005 0.49043524 0.91324740
0.56337519 0.05082469 0.00826684
0.40463321 0.91543760 -0.02154020
0.61206175 0.59417031 0.98496598
0.77121495 0.72865548 0.01666639
0.47344767 0.27257124 0.37606229
0.36675062 0.19098113 0.42161987
0.36201072 0.35702080 0.40126754
0.46409265 0.14858977 0.22624131
0.34404697 0.12919527 0.13528925
0.35965199 0.05903128 0.26904054
0.84946883 0.76181740 0.81973225
0.56977721 0.87556484 0.75656653
0.49675282 0.71012019 0.63886264
0.84546187 0.91119600 0.60153839
0.86705810 0.16389166 0.82588795
0.05113575 0.13825213 0.93769020
0.22106122 0.70100102 0.03268104
0.74704573 0.95714571 0.02899610
0.87339262 0.26331704 0.21693089
0.40988984 0.67642773 0.95754720
0.23429175 0.94922946 0.03782845
0.03873667 0.60717055 -0.06533945
0.74878690 0.98881075 0.75420415
0.54451629 0.54322403 0.47311971
0.85894844 0.74308816 0.43266003
0.15681017 0.75876080 0.00015615
0.70515478 0.62270963 0.43123979
No title
1
12.667799 0.015850 -1.131716
0.144843 10.718397 0.454211
-1.138616 0.788133 12.721811
C H O N
43 30 7 2
Direct configuration= 568
0.73476617 0.52954475 0.36933574
0.74197500 0.40351583 0.41129684
0.78613065 0.31458578 0.35839297
0.76571600 0.56573436 0.27127894
0.80945724 0.47658289 0.21807789
0.82294061 0.35235809 0.26392562
-0.01548956 0.26617769 0.22988006
0.03542828 0.16640518 0.19512490
0.14652746 0.16278434 0.20409256
0.04541662 0.36134557 0.27524358
0.15595602 0.35647401 0.28254957
0.20935490 0.25822937 0.24728143
0.33112562 0.26209176 0.25359743
0.35466819 0.37539457 0.17790040
0.42266521 0.47072604 0.21159563
0.44336863 0.57147119 0.14029666
0.30628644 0.38523673 0.06958989
0.32641247 0.48391905 -0.00292486
0.39588343 0.57727986 0.03280939
0.50003833 0.74819975 -0.02089928
0.48528766 0.87620694 -0.01495882
0.57467980 0.95108818 0.00233285
0.60248556 0.69414565 -0.01021104
0.69101003 0.76992556 0.00796785
0.67760220 0.89826469 0.01462884
0.38626520 0.27230004 0.36989105
0.37683318 0.14282524 0.21853682
0.15839020 0.88972709 -0.00210085
0.06092721 0.71602924 -0.05418055
0.99409371 0.83233190 0.90545528
0.89261587 0.84400828 0.84426681
0.84925624 0.96623407 0.81519569
0.71038931 0.90030485 0.68603498
0.61212501 0.84676344 0.69543459
0.57173513 0.75485563 0.63025993
0.63215779 0.71942226 0.55703936
0.61647653 0.61819409 0.48504055
0.77582106 0.71857388 0.46446524
0.72799198 0.77739279 0.54600883
0.76931119 0.86873425 0.60917416
0.90491175 0.07120722 0.84964852
0.00740869 0.05682468 0.91177676
0.05189256 0.93604488 0.93816754
0.79593522 0.21653669 0.39140456
0.71601749 0.37587558 0.48673176
0.75810582 0.66358679 0.23811622
0.83699443 0.50327613 0.14316304
0.18380003 0.08354176 0.17613400
-0.01260508 0.09146723 0.16192556
0.00763189 0.43961295 0.30377422
0.20158012 0.43334958 0.31590763
0.49617854 0.64472168 0.16880191
0.46123842 0.46895091 0.29476033
0.25099668 0.31405130 0.04112403
0.28822017 0.49033902 0.91328661
0.56341487 0.05079253 0.00817877
0.40466113 0.91541150 -0.02167275
0.61198012 0.59395097 0.98490948
0.77114877 0.72839649 0.01665489
0.47339575 0.27287829 0.37604346
0.36670312 0.19136580 0.42164225
0.36197214 0.35748783 0.40109606
0.46405072 0.14872158 0.22638608
0.34405605 0.12918588 0.13542798
0.35969362 0.05917201 0.26914684
0.84946606 0.76173207 0.81986440
0.56983832 0.87537806 0.75652644
0.49679973 0.70998243 0.63874488
0.84548986 0.91114032 0.60178144
0.86699198 0.16387988 0.82600698
0.05103567 0.13829417 0.93784250
0.22111508 0.70104515 0.03270805
0.74704055 0.95697509 0.02894351
0.87340577 0.26335215 0.21682636
0.40984596 0.67628722 0.95750073
0.23424715 0.94931245 0.03784172
0.03879790 0.60707743 -0.06531394
0.74872005 0.98870511 0.75436166
0.54467128 0.54314649 0.47301276
0.85902176 0.74308558 0.43286987
0.15685726 0.75873727 0.00019211
0.70523634 0.62265707 0.43128497
No title
1
12.660883 0.013664 -1.124221
0.143468 10.723930 0.457476
-1.131633 0.792953 12.710356
C H O N
43 30 7 2
Direct configuration= 569
0.73454764 0.52963587 0.36923092
0.74173772 0.40371935 0.41153061
0.78596313 0.31472204 0.35869345
0.76554741 0.56567197 0.27117197
0.80934729 0.47656298 0.21805776
0.82287058 0.35241550 0.26405739
-0.01553006 0.26607104 0.23004149
0.03535971 0.16623273 0.19547831
0.14658336 0.16246121 0.20435033
0.04540834 0.36118901 0.27531393
0.15609534 0.35631103 0.28261493
0.20947134 0.25788632 0.24740673
0.33125701 0.26175433 0.25360547
0.35486573 0.37503821 0.17790677
0.42279688 0.47046966 0.21174740
0.44339931 0.57133601 0.14052248
0.30665358 0.38507117 0.06953881
0.32670428 0.48400920 -0.00295701
0.39607018 0.57731963 0.03287092
0.50011725 0.74841740 -0.02073202
0.48528824 0.87632919 -0.01480783
0.57466347 0.95128429 0.00246348
0.60261262 0.69457548 -0.01009397
0.69117232 0.77030249 0.00808435
0.67768860 0.89862180 0.01468394
0.38630656 0.27163806 0.37002012
0.37687631 0.14259430 0.21831683
0.15847923 0.88975636 -0.00215334
0.06084664 0.71623565 -0.05431073
0.99401568 0.83246049 0.90526699
0.89262034 0.84417567 0.84400206
0.84930011 0.96641709 0.81491135
0.71031864 0.90054989 0.68575286
0.61203413 0.84715165 0.69548182
0.57161950 0.75511362 0.63036982
0.63194163 0.71956008 0.55702797
0.61625647 0.61820377 0.48510893
0.77565096 0.71863374 0.46418314
0.72785914 0.77761642 0.54576532
0.76925604 0.86897478 0.60878199
0.90504700 0.07126409 0.84946028
0.00751091 0.05675960 0.91149728
0.05187195 0.93599907 0.93787803
0.79579172 0.21677707 0.39183614
0.71576911 0.37615394 0.48706167
0.75790174 0.66348691 0.23786570
0.83691156 0.50309535 0.14301891
0.18378165 0.08328599 0.17643059
-0.01273116 0.09131449 0.16237424
0.00772843 0.43953975 0.30380405
0.20171233 0.43306675 0.31582430
0.49606542 0.64467801 0.16907137
0.46126489 0.46859077 0.29504585
0.25138737 0.31393393 0.04099056
0.28855126 0.49054704 0.91322955
0.56333252 0.05091836 0.00835326
0.40458295 0.91546299 -0.02137502
0.61215925 0.59440723 0.98503668
0.77131141 0.72894488 0.01668068
0.47359487 0.27219867 0.37610170
0.36675883 0.19040894 0.42165716
0.36202722 0.35647784 0.40148267
0.46413276 0.14845316 0.22605700
0.34404420 0.12918637 0.13512633
0.35961434 0.05882848 0.26894088
0.84944778 0.76191580 0.81955637
0.56970885 0.87577440 0.75661397
0.49669116 0.71028988 0.63900856
0.84542317 0.91128223 0.60124023
0.86715299 0.16387038 0.82575955
0.05125893 0.13819955 0.93751473
0.22095467 0.70095501 0.03264322
0.74705182 0.95733532 0.02907065
0.87340927 0.26327754 0.21706387
0.40991738 0.67651137 0.95767159
0.23425461 0.94907179 0.03774556
0.03865826 0.60717365 -0.06536874
0.74878375 0.98895725 0.75398023
0.54439337 0.54340415 0.47328519
0.85887967 0.74308298 0.43240226
0.15677537 0.75875405 0.00010575
0.70509013 0.62279753 0.43120853
No title
1
12.657162 0.012488 -1.120188
0.142729 10.726907 0.459234
-1.127875 0.795547 12.704191
C H O N
43 30 7 2
Direct configuration= 570
0.73443002 0.52968487 0.36917452
0.74160993 0.40382872 0.41165656
0.78587287 0.31479522 0.35885532
0.76545667 0.56563842 0.27111442
0.80928809 0.47655226 0.21804695
0.82283285 0.35244634 0.26412837
-0.01555191 0.26601363 0.23012847
0.03532270 0.16613987 0.19566869
0.14661337 0.16228736 0.20448919
0.04540386 0.36110479 0.27535184
0.15617032 0.35622337 0.28265010
0.20953399 0.25770179 0.24747423
0.33132773 0.26157285 0.25360981
0.35497206 0.37484657 0.17791019
0.42286772 0.47033173 0.21182914
0.44341576 0.57126324 0.14064411
0.30685125 0.38498219 0.06951122
0.32686139 0.48405773 -0.00297442
0.39617071 0.57734103 0.03290400
0.50015972 0.74853442 -0.02064198
0.48528853 0.87639491 -0.01472653
0.57465465 0.95138973 0.00253382
0.60268102 0.69480665 -0.01003101
0.69125968 0.77050521 0.00814700
0.67773512 0.89881386 0.01471354
0.38632877 0.27128199 0.37008970
0.37689957 0.14247015 0.21819836
0.15852717 0.88977213 -0.00218164
0.06080330 0.71634669 -0.05438084
0.99397372 0.83252969 0.90516558
0.89262281 0.84426578 0.84385944
0.84932381 0.96651562 0.81475817
0.71028067 0.90068175 0.68560091
0.61198520 0.84736042 0.69550723
0.57155722 0.75525233 0.63042901
0.63182526 0.71963419 0.55702189
0.61613797 0.61820893 0.48514582
0.77555945 0.71866600 0.46403125
0.72778770 0.77773675 0.54563418
0.76922646 0.86910426 0.60857077
0.90511986 0.07129475 0.84935884
0.00756601 0.05672468 0.91134673
0.05186092 0.93597452 0.93772210
0.79571436 0.21690623 0.39206859
0.71563532 0.37630352 0.48723940
0.75779193 0.66343324 0.23773084
0.83686697 0.50299815 0.14294133
0.18377167 0.08314834 0.17659037
-0.01279917 0.09123220 0.16261595
0.00778040 0.43950038 0.30382009
0.20178352 0.43291467 0.31577941
0.49600444 0.64465444 0.16921654
0.46127905 0.46839699 0.29519967
0.25159774 0.31387089 0.04091858
0.28872954 0.49065898 0.91319869
0.56328814 0.05098597 0.00844725
0.40454079 0.91549060 -0.02121465
0.61225569 0.59465261 0.98510508
0.77139900 0.72923985 0.01669445
0.47370203 0.27183315 0.37613309
0.36678877 0.18989430 0.42166529
0.36205673 0.35593451 0.40169101
0.46417700 0.14830889 0.22587977
0.34403790 0.12918671 0.13496387
0.35957169 0.05864377 0.26883002
0.84943803 0.76201471 0.81939045
0.56963914 0.87598753 0.75666111
0.49663267 0.71045516 0.63915057
0.84538740 0.91135870 0.60094874
0.86723973 0.16386536 0.82562623
0.05137920 0.13814878 0.93733814
0.22086832 0.70090653 0.03260837
0.74705788 0.95752903 0.02913909
0.87341109 0.26323735 0.21719180
0.40995580 0.67663189 0.95776356
0.23425863 0.94894238 0.03769379
0.03858310 0.60722540 -0.06539823
0.74881815 0.98909298 0.75377475
0.54424370 0.54354262 0.47343197
0.85880329 0.74308169 0.43215045
0.15673130 0.75876310 0.00005926
0.70501144 0.62287308 0.43116738
No title
1
12.652716 0.011006 -1.114913
0.141804 10.730824 0.461436
-1.122984 0.798819 12.696242
C H O N
43 30 7 2
Direct configuration= 571
0.73427521 0.52974788 0.36914691
0.74145574 0.40393997 0.41179997
0.78575999 0.31491797 0.35904411
0.76533777 0.56561564 0.27101698
0.80922654 0.47650055 0.21802355
0.82277651 0.35246084 0.26424228
-0.01554244 0.26593363 0.23025218
0.03529867 0.16599583 0.19590114
0.14663155 0.16211202 0.20469635
0.04541648 0.36101228 0.27540250
0.15625184 0.35606143 0.28267815
0.20957450 0.25749287 0.24755716
0.33145126 0.26137040 0.25364559
0.35511957 0.37462447 0.17793180
0.42294979 0.47012428 0.21192179
0.44341967 0.57117615 0.14077247
0.30711504 0.38488517 0.06945507
0.32706725 0.48412774 -0.00298236
0.39631269 0.57736819 0.03293952
0.50020429 0.74870560 -0.02053479
0.48528118 0.87650385 -0.01463399
0.57466335 0.95149152 0.00264856
0.60278315 0.69508757 -0.00994456
0.69134106 0.77081103 0.00821587
0.67776125 0.89903997 0.01473930
0.38636551 0.27078852 0.37012995
0.37693498 0.14227468 0.21804642
0.15850842 0.88970066 -0.00224288
0.06073837 0.71641315 -0.05447052
0.99393976 0.83259356 0.90503174
0.89261732 0.84438952 0.84366751
0.84937530 0.96662082 0.81456324
0.71024159 0.90086936 0.68541240
0.61190482 0.84761260 0.69553117
0.57148378 0.75544287 0.63050495
0.63168655 0.71973061 0.55700209
0.61602471 0.61829989 0.48519335
0.77544080 0.71872764 0.46384991
0.72767841 0.77786526 0.54545886
0.76916923 0.86926079 0.60830440
0.90521264 0.07132624 0.84922072
0.00763365 0.05670638 0.91114906
0.05185538 0.93598269 0.93753273
0.79561332 0.21706713 0.39236833
0.71545598 0.37649069 0.48748736
0.75764924 0.66336886 0.23755908
0.83680897 0.50288578 0.14284120
0.18376649 0.08296799 0.17678081
-0.01288557 0.09112913 0.16292147
0.00784661 0.43943201 0.30384169
0.20188181 0.43273065 0.31572627
0.49593465 0.64462572 0.16940665
0.46129526 0.46814908 0.29540505
0.25185325 0.31377903 0.04081564
0.28896399 0.49080225 0.91315938
0.56323275 0.05109298 0.00855979
0.40449470 0.91551395 -0.02100676
0.61237928 0.59496913 0.98519469
0.77153932 0.72959632 0.01671632
0.47383802 0.27136351 0.37618123
0.36681017 0.18920584 0.42169193
0.36207227 0.35527451 0.40197293
0.46422963 0.14812927 0.22564903
0.34403353 0.12917925 0.13475860
0.35952998 0.05841498 0.26868486
0.84942114 0.76215587 0.81917298
0.56955427 0.87625894 0.75672466
0.49653933 0.71066168 0.63934103
0.84535987 0.91147932 0.60056891
0.86735712 0.16385516 0.82546083
0.05152811 0.13806391 0.93711105
0.22073784 0.70084793 0.03256082
0.74708495 0.95778658 0.02923294
0.87338435 0.26321265 0.21736084
0.41000230 0.67676308 0.95790455
0.23432772 0.94884296 0.03765543
0.03850251 0.60736163 -0.06542930
0.74883677 0.98928630 0.75350598
0.54402407 0.54367865 0.47361867
0.85871774 0.74307820 0.43182358
0.15668578 0.75877150 -0.00000276
0.70489572 0.62293757 0.43111072
No title
1
12.644101 0.008133 -1.104692
0.140014 10.738414 0.465704
-1.113508 0.805158 12.680840
C H O N
43 30 7 2
Direct configuration= 572
0.73397519 0.52986986 0.36909348
0.74115683 0.40415528 0.41207808
0.78554112 0.31515556 0.35941015
0.76510739 0.56557155 0.27082818
0.80910727 0.47640040 0.21797823
0.82266723 0.35248884 0.26446313
-0.01552416 0.26577860 0.23049202
0.03525194 0.16571669 0.19635183
0.14666663 0.16177230 0.20509799
0.04544091 0.36083308 0.27550073
0.15640980 0.35574780 0.28273251
0.20965295 0.25708818 0.24771795
0.33169064 0.26097830 0.25371492
0.35540541 0.37419436 0.17797365
0.42310874 0.46972245 0.21210142
0.44342715 0.57100737 0.14102133
0.30762630 0.38469740 0.06934604
0.32746621 0.48426339 -0.00299792
0.39658785 0.57742082 0.03300827
0.50029061 0.74903708 -0.02032708
0.48526691 0.87671479 -0.01445462
0.57468015 0.95168860 0.00287094
0.60298106 0.69563164 -0.00977713
0.69149877 0.77140330 0.00834923
0.67781191 0.89947788 0.01478914
0.38643663 0.26983277 0.37020811
0.37700368 0.14189620 0.21775191
0.15847212 0.88956227 -0.00236157
0.06061260 0.71654192 -0.05464434
0.99387405 0.83271734 0.90477229
0.89260682 0.84462932 0.84329540
0.84947524 0.96682472 0.81418526
0.71016600 0.90123282 0.68504693
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