841

O       7.58090723       0.47659719      -4.21061551
O       7.58078227      -8.06417334      -0.43914229
O       7.58181492      17.99480944     -11.42218119
O       7.57946979       9.22618061      -7.79633148
O       3.79652398       0.47648625      -4.21089746
O       3.79638897      -8.06452209      -0.43988812
O       3.79759364      17.99489086     -11.42109155
O       3.79534795       9.22830109      -7.79395141
O       0.01202786       0.47689115      -4.21054915
O       0.01203466      -8.06395159      -0.43896221
O       0.01342582      17.99538114     -11.42091412
O       0.01100916       9.22719555      -7.79442017
Ti      -1.88072871       2.38815616      -0.83772646
Ti      -1.88049001     -12.31476748     -11.64556177
Ti      -1.87819384      19.86641325      -7.96520961
Ti      -1.88278154      11.10279214      -4.35375873
Ti      -5.66541251       2.38841084      -0.83822276
Ti      -5.66526376     -12.31498913     -11.64559323
Ti      -5.66654649      19.86614611      -7.96583419
Ti      -5.66607535      11.10002840      -4.35735021
Ti       5.68796447       2.38837545      -0.83789108
Ti       5.68770724     -12.31466262     -11.64542866
Ti       5.68844213      19.86176981      -7.95651782
Ti       5.68653487      11.10756308      -4.35459502
Ti       1.90407751       2.38815429      -0.83743581
Ti       1.90423532     -12.31451634     -11.64516428
Ti       1.90389449      19.86177696      -7.95566688
Ti       1.90222900      11.10839855      -4.35283570
Ti      -1.88022163      -2.07550165     -11.64545492
Ti      -1.88144176     -10.85383363      -7.96963297
Ti      -1.87265589     -19.58235882      -4.37751385
Ti      -1.87374048      12.59651169      -0.81559964
Ti      -5.66483154      -2.07512114     -11.64581274
Ti      -5.66618748     -10.85391580      -7.96999596
Ti      -5.67519072     -19.58219083      -4.37857945
Ti      -5.67828655      12.59596113      -0.82189932
Ti       5.68868446      -2.07526293     -11.64594585
Ti       5.68743281     -10.85344071      -7.96990873
Ti       5.68679262     -19.60815590      -4.35844902
Ti       5.68393453      12.62302236      -0.82357383
Ti       1.90409996      -2.07536435     -11.64569613
Ti       1.90333626     -10.85339212      -7.96985431
Ti       1.90266352     -19.60836545      -4.35771960
Ti       1.90275819      12.62341716      -0.82010184
Ti      -1.88008766      -0.61782149      -7.96956929
Ti      -1.88045106      -9.36587615      -4.36991412
Ti      -1.88309140     -18.06354629      -0.84162708
Ti      -1.88056775       8.16606669     -11.63287632
Ti      -5.66434288      -0.61785525      -7.96984352
Ti      -5.66520097      -9.36583289      -4.37009855
Ti      -5.66579977     -18.06406230      -0.84230090
Ti      -5.66540875       8.16536549     -11.63456120
Ti       5.68897640      -0.61763272      -7.96986253
Ti       5.68817024      -9.36563810      -4.37011490
Ti       5.68664228     -18.07377234      -0.83550961
Ti       5.68789441       8.16665317     -11.63222230
Ti       1.90441811      -0.61758496      -7.96950275
Ti       1.90414369      -9.36562236      -4.36991569
Ti       1.90209786     -18.07375525      -0.83489203
Ti       1.90367531       8.16678382     -11.63115182
Ti      -1.88037221       0.86558730      -4.36853611
Ti      -1.88024439      -7.84031326      -0.83947161
Ti      -1.87817275      18.39974778     -11.63679263
Ti      -1.88182803       9.62343350      -7.95450945
Ti      -5.66495531       0.86560007      -4.36891171
Ti      -5.66499524      -7.84051060      -0.83968585
Ti      -5.66451737      18.39964545     -11.63730170
Ti      -5.66625399       9.62182391      -7.95754041
Ti       5.68858354       0.86576599      -4.36857310
Ti       5.68859831      -7.84059391      -0.83972949
Ti       5.68972677      18.39974456     -11.62987130
Ti       5.68708729       9.62371629      -7.95401006
Ti       1.90426286       0.86612336      -4.36838022
Ti       1.90418244      -7.84039212      -0.83954024
Ti       1.90547810      18.39969243     -11.62947074
Ti       1.90314102       9.62461172      -7.95242854
Ti      -3.77312553      -7.19565439     -11.64440936
Ti      -3.77299895     -15.97123052      -7.97171380
Ti      -3.77415375      16.23411461      -4.36830202
Ti      -3.77460598       7.49765242      -0.83410117
Ti       7.58052963      -7.19571372     -11.64541073
Ti       7.57767494     -15.97024122      -7.96901228
Ti       7.58868533      16.23327514      -4.34319348
Ti       7.57788159       7.49958607      -0.83459049
Ti       3.79591977      -7.19562525     -11.64531902
Ti       3.79581456     -15.97362270      -7.96613122
Ti       3.79429835      16.23215893      -4.34755885
Ti       3.79446770       7.50367985      -0.83204345
Ti       0.01117189      -7.19539931     -11.64521445
Ti       0.01421899     -15.97005104      -7.96875409
Ti       0.00036951      16.23352532      -4.33984812
Ti       0.01111459       7.49878593      -0.83406237
Ti      -3.77254177      -5.73559960      -7.96999565
Ti      -3.77410854     -14.48011352      -4.37235014
Ti      -3.77516268      17.80947166      -0.91149809
Ti      -3.77264353       3.04557352     -11.64272737
Ti       7.58129284      -5.73536250      -7.97023432
Ti       7.57733518     -14.48145414      -4.36919189
Ti       7.62628849      17.76226283      -0.80614130
Ti       7.58056493       3.04564246     -11.64194401
Ti       3.79693982      -5.73531239      -7.97036137
Ti       3.79492286     -14.48326148      -4.36901376
Ti       3.79262016      17.76946704      -0.82294689
Ti       3.79615217       3.04649777     -11.64118652
Ti       0.01207596      -5.73535922      -7.96997555
Ti       0.01268603     -14.48145922      -4.36897577
Ti      -0.04009505      17.76074138      -0.80086925
Ti       0.01195133       3.04603686     -11.64160890
Ti      -3.77249853      -4.24986373      -4.36949470
Ti      -3.77417781     -12.95402149      -0.84086217
Ti      -3.77231778      13.28120172     -11.63227683
Ti      -3.77281714       4.50056965      -7.96579748
Ti       7.58091905      -4.24971265      -4.36976212
Ti       7.57856959     -12.95496776      -0.83993177
Ti       7.58077567      13.28389735     -11.62589986
Ti       7.58076380       4.50091943      -7.96523714
Ti       3.79643785      -4.24989117      -4.36984216
Ti       3.79494199     -12.95612011      -0.83983672
Ti       3.79639024      13.28410075     -11.62443637
Ti       3.79632121       4.50177994      -7.96388478
Ti       0.01196319      -4.24977872      -4.36947445
Ti       0.01141902     -12.95469882      -0.83978097
Ti       0.01222446      13.28449527     -11.62423764
Ti       0.01173836       4.50110417      -7.96452591
Ti      -3.77280496      -2.72536323      -0.83881697
Ti      -3.77198159     -17.43581931     -11.64613906
Ti      -3.77285843      14.74174768      -7.95701047
Ti      -3.77339337       5.98141817      -4.36566920
Ti       7.58069384      -2.72569607      -0.83895001
Ti       7.57991894     -17.43607669     -11.64234946
Ti       7.58171720      14.74492723      -7.94610432
Ti       7.57941979       5.98273703      -4.36498520
Ti       3.79626543      -2.72567000      -0.83920931
Ti       3.79667768     -17.43733931     -11.63899338
Ti       3.79581224      14.74426302      -7.94653992
Ti       3.79519542       5.98468962      -4.36313191
Ti       0.01179642      -2.72529336      -0.83880914
Ti       0.01392912     -17.43617343     -11.64215373
Ti       0.00979734      14.74556715      -7.94408199
Ti       0.01104665       5.98281834      -4.36438037
Ti      -3.77300960       0.31307133      -0.00334492
Ti      -3.77268086     -14.56748703     -10.67304149
Ti      -3.77249284      17.64707047      -7.05551974
Ti      -3.77461086       8.89415273      -3.44258736
Ti       7.58057144       0.31307173      -0.00361816
Ti       7.57987771     -14.56685621     -10.67223404
Ti       7.58164648      17.64712182      -7.03142707
Ti       7.57727732       8.89794513      -3.44104000
Ti       3.79619086       0.31249525      -0.00316684
Ti       3.79605024     -14.56786372     -10.66915364
Ti       3.79617233      17.64564305      -7.03139675
Ti       3.79442786       8.90082605      -3.43892224
Ti       0.01170209       0.31306013      -0.00311273
Ti       0.01243653     -14.56687072     -10.67191594
Ti       0.01081623      17.64697236      -7.02899716
Ti       0.01148505       8.89826189      -3.44019257
Ti      -3.77285058      -4.32778475     -10.67127983
Ti      -3.77350975     -13.06957342      -7.05268434
Ti      -3.77364703      19.19803579      -3.49823976
Ti      -3.77655005      10.53091396       0.00208081
Ti       7.58080598      -4.32809201     -10.67178032
Ti       7.57924647     -13.06990045      -7.05100238
Ti       7.59060546      19.15232647      -3.43096154
Ti       7.56891671      10.52828769       0.01185737
Ti       3.79628668      -4.32811396     -10.67202864
Ti       3.79538756     -13.07001535      -7.05016607
Ti       3.79462686      19.15063176      -3.43501067
Ti       3.79428414      10.54262979       0.00628150
Ti       0.01174372      -4.32807558     -10.67127575
Ti       0.01159699     -13.06973238      -7.05077401
Ti      -0.00091008      19.15179804      -3.42757588
Ti       0.01840153      10.52712914       0.01251293
Ti      -3.77237075      -2.83449536      -7.05003476
Ti      -3.77296754     -11.56680109      -3.45062919
Ti      -3.77427771     -20.14229955      -0.01533557
Ti      -3.77297929       5.91161313     -10.66470724
Ti       7.58107325      -2.83422240      -7.05047945
Ti       7.58004246     -11.56675225      -3.44991507
Ti       7.58601184     -20.14555039      -0.00244871
Ti       7.58049243       5.91190313     -10.66403943
Ti       3.79658185      -2.83431167      -7.05050799
Ti       3.79594203     -11.56750519      -3.44953681
Ti       3.79430271     -20.14639322       0.00431496
Ti       3.79596027       5.91256632     -10.66237338
Ti       0.01214745      -2.83423846      -7.05000434
Ti       0.01194014     -11.56669272      -3.44966174
Ti       0.00267534     -20.14540012       0.00003677
Ti       0.01155754       5.91217199     -10.66292950
Ti      -3.77255669      -1.33563852      -3.44816583
Ti      -3.77264972      -9.91593853      -0.00580788
Ti      -3.77179282      16.14807314     -10.66375739
Ti      -3.77322299       7.40253229      -7.04367991
Ti       7.58088585      -1.33569930      -3.44825146
Ti       7.58071812      -9.91624598      -0.00558981
Ti       7.58193273      16.14948191     -10.65173248
Ti       7.58005252       7.40283071      -7.04268944
Ti       3.79641321      -1.33571944      -3.44840540
Ti       3.79629313      -9.91651393      -0.00576152
Ti       3.79738666      16.14973443     -10.65105408
Ti       3.79545755       7.40394009      -7.04090944
Ti       0.01207853      -1.33542572      -3.44805465
Ti       0.01196067      -9.91597214      -0.00528507
Ti       0.01274270      16.15009862     -10.65010767
Ti       0.01115183       7.40331224      -7.04173136
Ti      -1.88057102      -9.44774311     -10.67066018
Ti      -1.87829239     -18.18350120      -7.05673369
Ti      -1.88199710      14.01707970      -3.41444913
Ti      -1.88185413       5.42458255       0.00019935
Ti      -5.66519205      -9.44775367     -10.67079998
Ti      -5.66784707     -18.18346825      -7.05745825
Ti      -5.66772295      14.01458913      -3.42416305
Ti      -5.66738822       5.42460404      -0.00031467
Ti       5.68827279      -9.44746979     -10.67115747
Ti       5.68721600     -18.19141013      -7.04323028
Ti       5.68740857      14.02630147      -3.43206023
Ti       5.68598518       5.42518706       0.00006354
Ti       1.90378988      -9.44714401     -10.67103589
Ti       1.90411329     -18.19135664      -7.04286912
Ti       1.90134087      14.02666939      -3.42917252
Ti       1.90352170       5.42487973       0.00074323
Ti      -1.88005005      -7.95189893      -7.05056395
Ti      -1.88083783     -16.67737418      -3.45165423
Ti      -1.92916457      15.66247701       0.07251872
Ti      -1.88042332       0.79172048     -10.67028624
Ti      -5.66474243      -7.95200582      -7.05055311
Ti      -5.66767200     -16.67749460      -3.45212673
Ti      -5.62454223      15.65741773       0.04778565
Ti      -5.66497790       0.79193614     -10.67039522
Ti       5.68864748      -7.95158562      -7.05078601
Ti       5.68620302     -16.68634588      -3.44680187
Ti       5.68903742      15.69476463      -0.01890729
Ti       5.68828326       0.79184531     -10.67027646
Ti       1.90422972      -7.95168478      -7.05062436
Ti       1.90322899     -16.68661964      -3.44644994
Ti       1.89673750      15.69370981      -0.01059649
Ti       1.90400156       0.79177399     -10.66994816
Ti      -1.88015867      -6.45120761      -3.44891210
Ti      -1.88201334     -15.02820760      -0.00541020
Ti      -1.88012383      11.03161865     -10.65440567
Ti      -1.88063646       2.28299415      -7.04816693
Ti      -5.66475787      -6.45112527      -3.44910625
Ti      -5.66632103     -15.02863447      -0.00565848
Ti      -5.66473984      11.03113301     -10.65656812
Ti      -5.66516453       2.28295024      -7.04849015
Ti       5.68875414      -6.45113367      -3.44912175
Ti       5.68703854     -15.03193683      -0.00505993
Ti       5.68877108      11.03200088     -10.65415812
Ti       5.68819456       2.28320390      -7.04808896
Ti       1.90428181      -6.45119877      -3.44905201
Ti       1.90250268     -15.03178552      -0.00495590
Ti       1.90402756      11.03210988     -10.65285708
Ti       1.90385235       2.28334081      -7.04778272
Ti      -1.88044921      -4.80098474      -0.00462370
Ti      -1.87951568     -19.68784564     -10.67050864
Ti      -1.88212640      12.52513117      -7.02974131
Ti      -1.88109506       3.77975439      -3.44618978
Ti      -5.66500978      -4.80129265      -0.00467053
Ti      -5.66427888     -19.68789075     -10.67084372
Ti      -5.66448125      12.52406843      -7.03333515
Ti      -5.66617580       3.78008078      -3.44673256
Ti       5.68838007      -4.80144282      -0.00472069
Ti       5.68912382     -19.68894656     -10.66099631
Ti       5.68832530      12.52602643      -7.03293223
Ti       5.68728936       3.78034838      -3.44624284
Ti       1.90389843      -4.80112043      -0.00471578
Ti       1.90498959     -19.68938882     -10.66063406
Ti       1.90249084      12.52673767      -7.03118762
Ti       1.90342761       3.78051671      -3.44557189
O      -1.88059005       0.61890941       0.24875100
O      -1.88009410     -14.13550736     -10.82640193
O      -1.87976046      18.04200497      -7.21065684
O      -1.88157887       9.28055507      -3.58673515
O      -5.66524941       0.61923708       0.24842927
O      -5.66545295     -14.13549174     -10.82575101
O      -5.66525856      18.04173391      -7.21094693
O      -5.66781617       9.27830237      -3.59004401
O       5.68840920       0.61874634       0.24822761
O       5.68773328     -14.13483455     -10.82579209
O       5.68896333      18.03970534      -7.19577286
O       5.68595915       9.28555237      -3.58642922
O       1.90395219       0.61863662       0.24895517
O       1.90440897     -14.13442319     -10.82485018
O       1.90360963      18.03974815      -7.19416515
O       1.90282181       9.28576017      -3.58604442
O      -1.88054311      -3.89554708     -10.82476100
O      -1.88039136     -12.67707953      -7.21422108
O      -1.88416808      19.56089989      -3.61249064
O      -1.88076814      10.82490470       0.25765616
O      -5.66496871      -3.89546289     -10.82562064
O      -5.66632767     -12.67696999      -7.21385943
O      -5.66389721      19.56129793      -3.61409058
O      -5.67176841      10.82830227       0.26316750
O       5.68860274      -3.89566186     -10.82574368
O       5.68743121     -12.67627372      -7.21340474
O       5.69235677      19.52746574      -3.57651398
O       5.68060585      10.84771209       0.26829380
O       1.90405766      -3.89605732     -10.82602672
O       1.90341236     -12.67634209      -7.21369581
O       1.89698506      19.52732744      -3.57616383
O       1.90761194      10.84637266       0.26662211
O      -1.88016005      -2.44082772      -7.21292017
O      -1.88043646     -11.18530582      -3.59769431
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O      -1.88072399       6.34425370     -10.81630728
O      -5.66466236      -2.44094773      -7.21319103
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O      -5.66230153     -19.82930463       0.24674384
O      -5.66522897       6.34392875     -10.81729326
O       5.68876602      -2.44072960      -7.21365701
O       5.68784829     -11.18450498      -3.59726346
O       5.69057409     -19.84396618       0.24507167
O       5.68818686       6.34489529     -10.81548233
O       1.90440982      -2.44049711      -7.21277700
O       1.90402912     -11.18427352      -3.59694976
O       1.89828473     -19.84348915       0.24703209
O       1.90367727       6.34503077     -10.81459469
O      -1.88019237      -0.95358139      -3.59633719
O      -1.88034602      -9.61002971       0.24614976
O      -1.87927943      16.58209720     -10.81072479
O      -1.88059491       7.79727376      -7.20573455
O      -5.66486455      -0.95381827      -3.59665006
O      -5.66493009      -9.61015696       0.24603570
O      -5.66398825      16.58156121     -10.81238457
O      -5.66553519       7.79705378      -7.20502735
O       5.68864796      -0.95361285      -3.59631670
O       5.68848928      -9.61018939       0.24617213
O       5.68967751      16.58169192     -10.80511436
O       5.68811147       7.79725171      -7.20534880
O       1.90425486      -0.95321527      -3.59612322
O       1.90421154      -9.61007265       0.24654083
O       1.90520228      16.58165944     -10.80489271
O       1.90305684       7.79799091      -7.20455964
O      -3.77293482      -9.01537134     -10.82275500
O      -3.77290213     -17.79372324      -7.21214757
O      -3.77429779      14.42154957      -3.54517578
O      -3.77469887       5.72941625       0.25167890
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C       4.52644477      15.11922617       7.52635559
C       5.34670921      15.15117242       8.85090694
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C       1.94486011      16.67724530       9.86887451
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C       4.11613766      16.81899329      16.50328858
C       3.48079309      17.92691495      17.15003207
C       2.07420254      17.96392280      17.20088414
C       1.30706212      16.91702864      16.62255752
C       1.94772525      15.81771863      15.98922079
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C       5.79037163      16.46108545      13.96230656
C       6.64136132      15.89590587      12.92522975
C       6.13920638      15.73686566      11.64309416
C       4.79153517      16.13099962      11.34006295
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C       4.45607036      16.93123316      13.62435981
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H       3.82399957      17.43675133      14.38469951
N       4.29149342      15.92185693      10.05498580
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C       3.12494241      16.09620948       9.30377775
C      -0.53334995      16.37891636       7.04762908
VEC1      15.13800000       0.00000000       0.00000000 
VEC2       0.00000000      40.95741100       0.00000000 
VEC3       0.00000000       0.00000000     270.00000000