116

Ti       -0.0179479198       -0.0078042700       -0.0922850421
O         0.4497915479        0.0007412647        1.9321232563
Ti       -1.4316444492       -0.0089893346        2.8221490912
O        -1.7887110897        0.0007867236        0.7998892697
O        -3.2081345298        0.0411605531        3.6695321087
O        -1.8010755493       -1.8874663742        2.8216777686
Ti       -3.7269830403       -1.9006613639        3.6517557753
O         0.3830863054       -1.8910765741       -0.0700021876
Ti        3.7557586944       -1.8917451634        2.9143676586
O         3.3146470921       -0.0011081937        2.8729289358
O        -4.6680663094       -1.8855446073        2.0338712494
O        -5.4086768695       -1.8843459443        4.3991860126
Ti       -0.0282285127       -3.7757033787       -0.0787156736
O         0.4462623263       -3.7813137083        1.9359917441
Ti       -1.3999537875       -3.7707056149        2.8874421519
O        -1.7903153040       -3.7850263943        0.8021001791
O        -3.2390175951       -3.7978185279        3.6716494047
O        -1.7864035184       -5.6734792481        2.8627360747
Ti       -3.7357623244       -5.6788609282        3.4482649850
O         0.3837694100       -5.6723382681       -0.0690470865
Ti        3.7205660980       -5.6668034549        2.9114784222
O         3.3236114384       -3.7787921003        2.8721776992
O        -4.6689995455       -5.6807480198        1.9358553242
O        -5.3525041570       -5.6742752842        4.3359372112
Ti       -0.0314402214        3.7828933451       -0.0777664638
O         0.4518754735        3.7839662632        1.9399715530
Ti       -1.3792280628        3.7857276911        2.9025413153
O        -1.7909627210        3.7866794195        0.8027290293
O        -3.2026665631        3.7827561658        3.7306777258
O        -1.7857471998        1.9013100770        2.8154049594
Ti       -3.7307612355        1.9120465523        3.4387577457
O         0.3836352141        1.8909325251       -0.0691199251
Ti        3.7223424203        1.8887162901        2.9133081650
O         3.3250830331        3.7807500488        2.8687333178
O        -4.6728325926        1.9008997868        1.9326739591
O        -5.3457700344        1.8899459254        4.3344454640
Ti       -1.4852085406       -0.0011927086       -3.7100466053
O        -1.0850586016       -0.0008795951       -1.6147031707
Ti       -2.8526945884       -0.0039467894       -0.7412906371
O        -3.3269327110       -0.0004491456       -2.7420242486
O        -4.7289708978       -0.0017641392       -0.0618098107
O        -3.2591453480       -1.8898583454       -0.7264179834
Ti       -5.1372070666       -1.8918692243       -0.0012386637
O        -1.0878410276       -1.8908975100       -3.6681494905
Ti        2.2953566326       -1.8945802968       -0.7324918911
O         1.8572641703       -0.0016921856       -0.7344045642
O         4.0371444331       -1.8910414726       -1.5881377025
O         3.3210868792       -1.8907741455        0.8191885244
Ti       -1.4878179598       -3.7811586802       -3.7059227721
O        -1.0853532342       -3.7809408508       -1.6116052274
Ti       -2.8450252555       -3.7788195849       -0.7274776599
O        -3.3267379004       -3.7812381637       -2.7423527944
O        -4.7300872942       -3.7790968457       -0.0598090260
O        -3.2604741093       -5.6718710426       -0.7338292499
Ti       -5.1447866872       -5.6729502955       -0.0741564861
O        -1.0884608345       -5.6727912820       -3.6676316873
Ti        2.2684209803       -5.6717142765       -0.7217304029
O         1.8574125893       -3.7804564443       -0.7330818756
O         4.0285990372       -5.6721054737       -1.6077890803
O         3.3201243312       -5.6722897918        0.8087243331
Ti       -1.4884820434        3.7822906244       -3.7073217712
O        -1.0847762013        3.7818636329       -1.6113017246
Ti       -2.8439453199        3.7841411650       -0.7265400935
O        -3.3267270296        3.7819066970       -2.7433025606
O        -4.7312054524        3.7823723470       -0.0697069103
O        -3.2595288817        1.8897668415       -0.7334187674
Ti       -5.1446141745        1.8933189943       -0.0754881482
O        -1.0885182339        1.8906776867       -3.6679434552
Ti        2.2687722606        1.8941648243       -0.7213872473
O         1.8555780589        3.7824519637       -0.7335160805
O         4.0283551896        1.8906904137       -1.6083035670
O         3.3194888527        1.8901215845        0.8082989311
Ti        1.3702533850       -0.0107406935        3.4478828397
O        -2.6375196242       -0.0002691731       -5.1384544425
Ti       -4.2555253076       -0.0004346746       -4.2635860836
O        -0.2706997157       -0.0070914550        4.3327078320
O         4.0252034756       -0.0000815787       -3.6655962284
O        -4.7789243271       -1.8904283625       -4.5262265362
Ti        3.6276350884       -1.8913012322       -3.6941431294
O         1.8693336769       -1.8883429262        3.7243207414
Ti        0.8648978359       -1.8921733057       -4.2643698117
O         0.3356892769       -0.0005951329       -4.5283168344
O         2.4831990038       -1.8910320844       -5.1341360953
O         1.7891597814       -1.8911498456       -2.7417208102
Ti        1.3675607179       -3.7714249561        3.4584460387
O        -2.6361368408       -3.7817733748       -5.1377491017
Ti       -4.2537976019       -3.7816703567       -4.2621660812
O        -0.2527486810       -3.7773208994        4.3296691681
O         4.0251551834       -3.7817133665       -3.6656274881
O        -4.7792586102       -5.6728660382       -4.5273909859
Ti        3.6247553952       -5.6729206250       -3.7048960624
O         1.9006169442       -5.6721819263        3.7282320026
Ti        0.8602204280       -5.6728510136       -4.2616392365
O         0.3358111887       -3.7815283986       -4.5276229355
O         2.4785034911       -5.6729185089       -5.1373985723
O         1.7869078663       -5.6728807589       -2.7423620036
Ti        1.3817457800        3.7823928879        3.4589497419
O        -2.6363646230        3.7820140473       -5.1385122329
Ti       -4.2543090361        3.7822671573       -4.2626609244
O        -0.2374835922        3.7781640807        4.3379058406
O         4.0248222240        3.7818879520       -3.6667895479
O        -4.7794862202        1.8903770813       -4.5277962247
Ti        3.6243254290        1.8913422637       -3.7051707738
O         1.8974839341        1.8882474143        3.7289879155
Ti        0.8600377417        1.8920214690       -4.2620560393
O         0.3346421543        3.7821159876       -4.5275899679
O         2.4782941685        1.8909856222       -5.1376874872
O         1.7866749487        1.8910410218       -2.7427494459
H        -3.2770955004       -2.4268873548        8.1687296457
C        -3.1978647566       -1.3575831172        7.9359146369 
H        -4.2239524320       -0.9733256879        7.8414028480
H        -2.6752907472       -0.8249390527        8.7355765151
C        -2.5132448898       -1.1924834089        6.6141051521 
O        -2.8755597850       -1.8460118394        5.6163779603
O        -1.5275649623       -0.3212592281        6.6009413157
H        -1.0670534373       -0.2549619720        5.6840567874