No title
1
14.453551 -0.183743 -0.320468
-0.178880 14.033116 0.064149
-0.319122 0.065429 13.800606
C H O N F
110 60 25 10 30
Direct configuration= 1
0.07704800 0.04816828 0.95176319
0.92846920 0.02482667 0.76066157
0.95298090 0.94860521 0.82833649
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0.12713535 0.85458504 0.58002059
No title
1
14.432614 -0.210055 -0.345356
-0.205016 13.971931 0.065932
-0.343909 0.067462 13.737843
C H O N F
110 60 25 10 30
Direct configuration= 2
0.07693620 0.04821790 0.95199156
0.92965082 0.02300542 0.76098180
0.95234549 0.94815802 0.82833160
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0.49787489 0.57758661 0.87535808
0.60547681 0.38754376 0.22046744
0.24884297 0.48359899 0.03635840
0.29007333 0.18807419 0.27490390
0.80274334 0.22807177 0.29451960
0.95354847 0.23798552 0.31243388
0.87290218 0.18414932 0.43213828
0.80047125 0.99049011 0.57315804
0.62375174 0.17851167 0.70467620
0.78845560 0.12913931 0.63758010
0.38873462 0.31249369 0.95780007
0.46915154 0.13545936 0.82981994
0.52531986 0.15705986 0.97767451
0.39677417 0.15136363 0.45641976
0.36143404 0.05503801 0.57332288
0.48865583 0.13932799 0.58560888
0.86123813 0.42936798 0.85236353
0.06720642 0.55598655 0.72287106
0.03457135 0.46876790 0.84508226
0.98652418 0.21118362 0.68415814
0.07483696 0.18597981 0.81367714
0.04853206 0.33016849 0.76062261
0.33599356 0.48032491 0.56878092
0.47840351 0.50420239 0.52090807
0.36450890 0.58177755 0.45260505
0.35048035 0.89016147 0.36663299
0.32060330 0.79418359 0.24406045
0.42363876 0.75516991 0.35672867
0.28339443 0.84562108 0.08188837
0.13745556 0.79693967 0.06794604
0.19231500 0.89947853 0.96591372
0.26576760 0.90801337 0.55556178
0.15121920 0.00549688 0.54860875
0.12757540 0.85415760 0.58012149
No title
1
14.447752 -0.191031 -0.327362
-0.186120 14.016167 0.064643
-0.325988 0.065993 13.783220
C H O N F
110 60 25 10 30
Direct configuration= 3
0.07701678 0.04818204 0.95182584
0.92879726 0.02432639 0.76074750
0.95280620 0.94848363 0.82833596
0.02320591 0.96488066 0.92141367
0.06622692 0.06702123 0.05146312
0.97437280 0.93370906 0.01132504
0.95841998 0.00182144 0.66618197
0.99455634 0.87237345 0.76519892
0.96550519 0.99167335 0.17541564
0.94633634 0.07804736 0.21740449
0.88826801 0.08182358 0.29487452
0.93462062 0.90522874 0.21466991
0.87432985 0.90806984 0.28887052
0.84677661 0.99479317 0.32477030
0.71349503 0.05012620 0.39771518
0.71048010 0.10073202 0.48607462
0.64771491 0.17511519 0.49670175
0.65181943 0.06981282 0.32151228
0.58865216 0.14201157 0.33302263
0.58828032 0.19533181 0.41881183
0.87842034 0.18117621 0.33381534
0.76703665 0.07451430 0.56445269
0.84616356 0.47069057 0.09126811
0.85552830 0.57393068 0.12990962
0.92184220 0.59560520 0.04736352
0.89748692 0.49791089 0.00420588
0.77095177 0.40424615 0.06409367
0.81789802 0.49611587 0.92489337
0.91423692 0.58336647 0.22372237
0.01583790 0.59112378 0.09670363
0.67927656 0.39383401 0.90315264
0.59669478 0.34278730 0.94061743
0.54623596 0.28127900 0.86411615
0.67352693 0.42011820 0.80239812
0.60814263 0.38299048 0.73729440
0.53694716 0.31796354 0.76486743
0.38490008 0.26871797 0.68665053
0.34869909 0.21643997 0.60649507
0.25405193 0.21754684 0.58252695
0.32351142 0.30587279 0.74984280
0.22977771 0.30609349 0.72439066
0.19444970 0.26776326 0.63754105
0.51520306 0.19441902 0.88958133
0.40036272 0.14277776 0.55574364
0.75563378 0.84070122 0.73191954
0.66666184 0.85375313 0.79394834
0.61102357 0.85720267 0.69672602
0.69283966 0.82786728 0.63973614
0.80319404 0.74770366 0.74561977
0.69513013 0.72460840 0.61613768
0.65866302 0.95340634 0.83498310
0.60263430 0.96237443 0.67837224
0.80623473 0.59685674 0.64716296
0.89373192 0.57639848 0.68352456
0.92058227 0.48122478 0.70426605
0.75502815 0.52406035 0.59789892
0.78426686 0.43123620 0.60898631
0.85386146 0.40564885 0.67725937
0.84156127 0.26804233 0.79351109
0.92562950 0.24266865 0.83692964
0.92694847 0.20059769 0.92906391
0.75972466 0.23255238 0.83115398
0.76132035 0.17882189 0.91700655
0.84516191 0.16818387 0.96909637
0.00639612 0.49327295 0.75821349
0.00724344 0.24229649 0.77469976
0.55488179 0.44060188 0.95441978
0.48157246 0.42706912 0.11900858
0.54930634 0.50959782 0.12189368
0.58397639 0.52500843 0.01690310
0.49826799 0.47650648 0.87705385
0.53505978 0.60968827 0.96445068
0.51623324 0.34971259 0.17165337
0.62208201 0.47546048 0.19373641
0.46548353 0.62735061 0.79106482
0.45190333 0.57855608 0.70310555
0.41346593 0.62058242 0.62009913
0.44716605 0.72474109 0.79131636
0.41258896 0.76851838 0.70619999
0.39208042 0.71687151 0.62120312
0.27517431 0.73012820 0.49538714
0.26385183 0.74762857 0.39570185
0.17858067 0.72640179 0.34818818
0.20385750 0.68727966 0.54621872
0.12124432 0.66048584 0.49725144
0.10814754 0.68122215 0.39867568
0.39719029 0.54948110 0.53899093
0.33995145 0.79574689 0.34186188
0.21282144 0.39741609 0.18063497
0.30052775 0.34532983 0.22027218
0.29327801 0.27910111 0.13221751
0.20226662 0.32928724 0.09470662
0.24282599 0.49125767 0.13842960
0.21544632 0.39092338 0.00671669
0.29621309 0.28128296 0.30723234
0.28927611 0.17915747 0.17364783
0.25856919 0.56397716 0.97304825
0.25156762 0.65484038 0.01182310
0.23858572 0.73723904 0.95527562
0.26176154 0.55703575 0.87171295
0.25347993 0.63949292 0.81657829
0.24042616 0.73011431 0.85339367
0.25079955 0.88978434 0.77604074
0.21058587 0.95288419 0.70500483
0.21044815 0.04908077 0.73049689
0.31364498 0.92674684 0.84603671
0.31703565 0.02374726 0.86597698
0.25915504 0.08407863 0.81249973
0.21404104 0.81973846 0.01593826
0.18763774 0.93083630 0.59938162
0.13152418 0.08358137 0.91283739
0.89672313 0.09009943 0.78063697
0.89440253 0.91342948 0.86547102
0.07191125 0.90887646 0.90546537
0.97719549 0.14305400 0.18817344
0.95302976 0.83791824 0.18330172
0.84144903 0.84327317 0.31592696
0.64144874 0.20260993 0.57038174
0.65276726 0.02884406 0.25483699
0.53870777 0.15834875 0.27423363
0.53479611 0.24748734 0.42657959
0.01727733 0.87396716 0.61768474
0.74115226 0.50532984 0.26361716
0.79175360 0.61488722 0.13012671
0.91182322 0.65861746 0.00029592
0.95375737 0.45422625 0.97987351
0.61272345 0.30182896 0.00684238
0.72546442 0.46981453 0.77710011
0.60906691 0.40365170 0.66100711
0.22743306 0.17236664 0.52350331
0.34647081 0.33502675 0.81904881
0.18522767 0.33405104 0.77725744
0.12109411 0.27029860 0.61690013
0.06111163 0.59471344 0.24634947
0.80646857 0.90056977 0.73584473
0.65231656 0.79807738 0.84804264
0.54620779 0.81792678 0.68187535
0.70089248 0.87030142 0.57349210
0.93609730 0.63434144 0.71447739
0.68972073 0.53826603 0.55906890
0.74294748 0.37154825 0.57856504
0.99373403 0.18647617 0.96430638
0.69496345 0.23702582 0.78845770
0.69832123 0.14551746 0.94499210
0.84731864 0.13177638 0.03891695
0.62307895 0.09145625 0.75221574
0.43665040 0.35238791 0.98579101
0.41014837 0.43560509 0.09443458
0.52417055 0.57842690 0.14616827
0.65806750 0.54654528 0.01592413
0.46735075 0.50440445 0.69531566
0.46000199 0.76502529 0.85803195
0.39910974 0.84452495 0.70634258
0.16754259 0.74821419 0.27243045
0.20840262 0.68545706 0.62492722
0.06393978 0.63155534 0.53832952
0.03964504 0.66791922 0.36496019
0.65349803 0.34317693 0.25192760
0.15543804 0.40639065 0.22856206
0.36156920 0.39273046 0.22957306
0.34941577 0.28210649 0.08259285
0.14080214 0.28241090 0.08753239
0.24801327 0.65772811 0.09008535
0.27205282 0.49140163 0.83266742
0.25648308 0.63690275 0.73832487
0.17165401 0.09731146 0.68335415
0.35018587 0.87606856 0.89354245
0.35972781 0.04898364 0.92797413
0.25456440 0.15847031 0.83222573
0.29611885 0.13078198 0.32002248
0.09712912 0.13338987 0.10316813
0.91372619 0.87145950 0.01598746
0.96202018 0.04838018 0.58959777
0.03373172 0.79936743 0.79199771
0.78058124 0.98414886 0.39310515
0.73169410 0.33952273 0.10920809
0.78450426 0.57020962 0.88925668
0.88686668 0.57705320 0.30652074
0.08814095 0.57696576 0.05777284
0.48002839 0.28974632 0.69137993
0.85676816 0.72524730 0.81165010
0.63735581 0.67801707 0.56754622
0.68066561 0.97746522 0.91818651
0.58919269 0.99607559 0.59650806
0.84197575 0.31176853 0.70193231
0.45334894 0.42945960 0.81418209
0.53060687 0.68989541 0.99670764
0.49206516 0.26577234 0.18679761
0.69122272 0.53253882 0.22154233
0.35750391 0.76256620 0.53959465
0.26358403 0.56236420 0.18756752
0.20076003 0.36678436 0.92192012
0.30063673 0.30758528 0.39344996
0.29176086 0.10342767 0.12996688
0.22449949 0.79497045 0.77721321
0.00783095 0.99162877 0.08685578
0.98200059 0.90360030 0.67146902
0.75064772 0.42262110 0.96266694
0.00564260 0.59558902 0.19742588
0.77425748 0.68832569 0.66372131
0.62279968 0.01237787 0.76198837
0.49770864 0.57700698 0.87527894
0.60574798 0.38763193 0.22020848
0.24880115 0.48333329 0.03653633
0.29023231 0.18810336 0.27456462
0.80306393 0.22851309 0.29431153
0.95299634 0.23760728 0.31221974
0.87272246 0.18406984 0.43196646
0.80108155 0.99018275 0.57285709
0.62373357 0.17865497 0.70414723
0.78864941 0.12916018 0.63717896
0.38819796 0.31200014 0.95699347
0.46897096 0.13583080 0.83002271
0.52540523 0.15715365 0.97799668
0.39667053 0.15165275 0.45588983
0.36073106 0.05464978 0.57364461
0.48915342 0.13919993 0.58602163
0.86106294 0.42908760 0.85254051
0.06637823 0.55569879 0.72310735
0.03508449 0.46892611 0.84512221
0.98636536 0.21121809 0.68250465
0.07441972 0.18645038 0.81377325
0.04930118 0.32962274 0.76103170
0.33561836 0.48057202 0.56943508
0.47819615 0.50481385 0.52085870
0.36395157 0.58203541 0.45239896
0.34964352 0.89016659 0.36617703
0.32045556 0.79454755 0.24504885
0.42432443 0.75438516 0.35664315
0.28238319 0.84520530 0.08110589
0.13603223 0.79644503 0.06841626
0.19225823 0.89939754 0.96549714
0.26578729 0.90762050 0.55546625
0.15129059 0.00544134 0.54817882
0.12725721 0.85446741 0.58004759
No title
1
14.432658 -0.223042 -0.358039
-0.218064 13.952365 0.060081
-0.356741 0.061872 13.711426
C H O N F
110 60 25 10 30
Direct configuration= 4
0.07705086 0.04827480 0.95184861
0.92957012 0.02350638 0.76143645
0.95247379 0.94774199 0.82833406
0.02406118 0.96464707 0.92180732
0.06630214 0.06666013 0.05131470
0.97419474 0.93339019 0.01131414
0.95850757 0.00196759 0.66669885
0.99442097 0.87257258 0.76462164
0.96548465 0.99153334 0.17523565
0.94624161 0.07763059 0.21733772
0.88802756 0.08220319 0.29446413
0.93472489 0.90518371 0.21482409
0.87367089 0.90792758 0.28851895
0.84668441 0.99503210 0.32510232
0.71352809 0.05019946 0.39789662
0.71021341 0.10116087 0.48578149
0.64793831 0.17593808 0.49647757
0.65188240 0.06998515 0.32151608
0.58833654 0.14189471 0.33292717
0.58809366 0.19584006 0.41860180
0.87834804 0.18120609 0.33370483
0.76641496 0.07426443 0.56425205
0.84622199 0.47122913 0.09084115
0.85539561 0.57370566 0.13001257
0.92162941 0.59564023 0.04744265
0.89772123 0.49872496 0.00372380
0.77099839 0.40411971 0.06388329
0.81805325 0.49629464 0.92515074
0.91412721 0.58335879 0.22331516
0.01546106 0.59126303 0.09742653
0.67910611 0.39295253 0.90308770
0.59633656 0.34334811 0.94114759
0.54639443 0.28122828 0.86414055
0.67362233 0.42065848 0.80194820
0.60812163 0.38285219 0.73742463
0.53740392 0.31747800 0.76492946
0.38468439 0.26842049 0.68617935
0.34855920 0.21610067 0.60610606
0.25409130 0.21757333 0.58219054
0.32363493 0.30588440 0.74936744
0.22988800 0.30650532 0.72399116
0.19461244 0.26795458 0.63700364
0.51488244 0.19434473 0.88969952
0.39980267 0.14276797 0.55608363
0.75523495 0.83985349 0.73218539
0.66677997 0.85343632 0.79337585
0.61054130 0.85771472 0.69559980
0.69234668 0.82783456 0.63971668
0.80422089 0.74748776 0.74439770
0.69418570 0.72481640 0.61622380
0.65834570 0.95363218 0.83598570
0.60182938 0.96183540 0.67740339
0.80596846 0.59661478 0.64722486
0.89376417 0.57669426 0.68350758
0.92058085 0.48113343 0.70390648
0.75489239 0.52361676 0.59728274
0.78417887 0.43116151 0.60888231
0.85379761 0.40579451 0.67684781
0.84243396 0.26681166 0.79324484
0.92669317 0.24197660 0.83633796
0.92786724 0.19995138 0.92838563
0.75991955 0.23229406 0.83118677
0.76180509 0.17991759 0.91774527
0.84597649 0.16895144 0.96967936
0.00641890 0.49312940 0.75789807
0.00738679 0.24244706 0.77419742
0.55463133 0.44070076 0.95425047
0.48141207 0.42778762 0.11960021
0.54883253 0.51019155 0.12233600
0.58364894 0.52510045 0.01682043
0.49824993 0.47662479 0.87694052
0.53555733 0.60984675 0.96508585
0.51591014 0.35014875 0.17212981
0.62147872 0.47575461 0.19362300
0.46593854 0.62740716 0.79110596
0.45226213 0.57846239 0.70289342
0.41394018 0.62026138 0.61969517
0.44712746 0.72466263 0.79115227
0.41221293 0.76845659 0.70607196
0.39195973 0.71628361 0.62131196
0.27556682 0.72967049 0.49518026
0.26336795 0.74808905 0.39582601
0.17810121 0.72617720 0.34834819
0.20431432 0.68735469 0.54623033
0.12113770 0.66128348 0.49749601
0.10749847 0.68169117 0.39866550
0.39659050 0.54959928 0.53907264
0.34012379 0.79598474 0.34181594
0.21235354 0.39729575 0.18161929
0.30083215 0.34548279 0.21987613
0.29342566 0.27928913 0.13232890
0.20222444 0.32906395 0.09521064
0.24303077 0.49249158 0.13884853
0.21552753 0.39112199 0.00613009
0.29545751 0.28196643 0.30884695
0.28951445 0.17816002 0.17366565
0.25793693 0.56320608 0.97236416
0.25114022 0.65418505 0.01118749
0.23880283 0.73705617 0.95457086
0.26223795 0.55691478 0.87153872
0.25356448 0.63912133 0.81601345
0.23985719 0.72988310 0.85247693
0.25101714 0.88976438 0.77599315
0.21012755 0.95205974 0.70572426
0.21084788 0.04926538 0.73046026
0.31317873 0.92641447 0.84654158
0.31730796 0.02280283 0.86634747
0.25957464 0.08394140 0.81301581
0.21207870 0.81877088 0.01660521
0.18780077 0.93085773 0.60032321
0.13123781 0.08340118 0.91274456
0.89655658 0.08955685 0.78001713
0.89461741 0.91409640 0.86574098
0.07107078 0.90816209 0.90470224
0.97710125 0.14302118 0.18844230
0.95311063 0.83787918 0.18337104
0.84127063 0.84247280 0.31674158
0.64145619 0.20318082 0.56951850
0.65281701 0.02897110 0.25434964
0.53854654 0.15830630 0.27409190
0.53493134 0.24801630 0.42617314
0.01659011 0.87376964 0.61741792
0.74132601 0.50517570 0.26416305
0.79228513 0.61446671 0.13064175
0.91171912 0.65847320 0.00047339
0.95357767 0.45458249 0.98076380
0.61230934 0.30238376 0.00717740
0.72534780 0.46997980 0.77701798
0.60867334 0.40387081 0.66099567
0.22720087 0.17299155 0.52265359
0.34690366 0.33546639 0.81919314
0.18593853 0.33477101 0.77680130
0.12119759 0.27016275 0.61651717
0.06093062 0.59434969 0.24618018
0.80563370 0.90014242 0.73579117
0.65301057 0.79823035 0.84787236
0.54587071 0.81774367 0.68235450
0.70164408 0.87004152 0.57318415
0.93658282 0.63491058 0.71417639
0.68972674 0.53882526 0.55859786
0.74270085 0.37212124 0.57840435
0.99415429 0.18664647 0.96500715
0.69481399 0.23721957 0.78724607
0.69953558 0.14636437 0.94379595
0.84733060 0.13129676 0.03992123
0.62339416 0.09146813 0.75129066
0.43658070 0.35279536 0.98640730
0.40985423 0.43533872 0.09404134
0.52370154 0.57879680 0.14673432
0.65800687 0.54619755 0.01593422
0.46796752 0.50463518 0.69653474
0.45987475 0.76514147 0.85767432
0.39892594 0.84446979 0.70596095
0.16772892 0.74753369 0.27255588
0.20892291 0.68456339 0.62517953
0.06420307 0.63116133 0.53795237
0.03929882 0.66787636 0.36464450
0.65322813 0.34343404 0.25231036
0.15564249 0.40617456 0.22895862
0.36157459 0.39276029 0.23012538
0.34890666 0.28167442 0.08249479
0.14064396 0.28205645 0.08686205
0.24818582 0.65938416 0.09022029
0.27151563 0.49092825 0.83400567
0.25681712 0.63561533 0.73808026
0.17185560 0.09755202 0.68294782
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No title
1
14.438829 -0.209953 -0.345496
-0.205003 13.978452 0.061946
-0.344167 0.063557 13.740781
C H O N F
110 60 25 10 30
Direct configuration= 5
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