  122
 
Ti    -1.943543     0.000000     0.264535
Ti    -2.338306    -0.282268     3.507336
 O    -0.785671    -1.696685     0.149780
 O    -2.573553    -0.916556    -1.361302
 O    -0.436484     0.979965    -0.192614
 O    -1.065700     0.297832     2.084408
 O    -3.056520    -0.889655     1.695775
 O    -3.907946    -1.220153     4.013868
 O    -1.276573    -0.211365     5.129462
 O    -1.368405    -2.154002     3.590318
 O    -2.970357     1.339285     3.854297
 O    -3.152886     1.237446    -0.115916
 O     2.569018     2.296193     1.117166
 O     1.737999     2.315408    -0.913977
 O     1.435294    -0.735934     3.101589
 O     1.680179     1.360422     3.869235
 O    -3.727684    -3.358782     0.338964
 O    -5.631207    -2.301957    -0.017775
 O    -6.342052    -3.495209     2.716012
 O    -6.271761    -2.253920     4.477005
 N    -1.951139    -2.088671    -1.681912
 N    -0.561193    -1.335443     5.469093
 C    -0.984072    -2.446070    -0.860705
 C    -0.677967    -2.353838     4.617418
 C    -0.104303    -3.583597    -1.097746
 C     0.182530    -4.430979    -0.026296
 C     1.077038    -5.487804    -0.192013
 C     1.685847    -5.697247    -1.429704
 C     1.399015    -4.851788    -2.501154
 C     0.503373    -3.796884    -2.334913
 H    -0.232413    -4.286866     0.816437
 H     1.273172    -6.064254     0.536592
 H     2.295791    -6.417810    -1.543309
 H     1.813958    -4.995900    -3.343887
 C    -3.084863    -2.119415    -3.805275
 C    -3.759429    -2.797704    -4.820765
 C    -3.919284    -4.181184    -4.748119
 C    -3.403439    -4.888296    -3.660507
 C    -2.728873    -4.210006    -2.646201
 H    -2.976025    -1.177880    -3.854358
 H    -4.109749    -2.317329    -5.561023
 H    -3.512277    -5.829831    -3.611424
 H    -2.378553    -4.690381    -1.904759
 C     0.667763     0.918477     0.627977
 H     1.114451     0.092232     0.483231
 C     1.870644     1.923422     0.272485
 C     2.828641     3.220434    -1.312336
 H     3.676667     2.839977    -1.116834
 H     2.742478     4.050522    -0.855843
 C     2.714135     3.393369    -2.706054
 H     3.563294     3.821864    -2.707587
 H     2.041837     4.025543    -2.931813
 H     2.714135     2.690100    -3.342939
 C     0.128111     1.020317     2.094164
 H    -0.002267     1.919579     2.372199
 C     1.179073     0.411201     3.075502
 C     2.868322     0.895419     4.655814
 H     3.653992     1.083726     4.154445
 H     2.828641    -0.034587     4.843424
 C     2.834310     1.664019     5.852955
 H     3.650591     1.585238     6.328289
 H     2.199424     1.052982     6.193531
 H     2.505530     2.549831     5.933775
 C    -4.360302    -1.471869     1.713134
 H    -5.043938    -0.826245     1.575478
 C    -4.521291    -2.471049     0.596584
 C    -6.144784    -3.162789    -1.577587
 H    -6.632285    -2.359602    -1.707573
 H    -5.226467    -3.016755    -1.788630
 C    -6.326179    -3.823785    -0.819042
 H    -5.441875    -4.150440    -0.931511
 C    -4.432861    -2.157845     3.110383
 H    -3.945359    -2.970639     3.176444
 C    -5.780858    -2.705472     3.460686
 C    -7.558537    -2.709315     4.965949
 H    -7.547200    -3.658536     4.920463
 H    -8.248975    -2.373053     4.406450
 C    -7.788683    -2.374974     6.106883
 H    -8.707000    -2.544066     6.282413
 H    -7.618625    -1.450733     6.229587
 H    -7.255833    -2.878407     6.713121
 C     0.319710    -1.160586     6.565671
 C    -0.109971    -0.340106     7.609354
 C     0.733519    -0.090310     8.692432
 C     2.005558    -0.660996     8.732351
 C     2.434105    -1.483398     7.690376
 C     1.591748    -1.733193     6.606774
 H    -0.997677     0.049959     7.591991
 H     0.441019     0.468846     9.402851
 H     2.579222    -0.491904     9.471265
 H     3.300270    -1.873462     7.717687
 H     1.884249    -2.292350     5.896355
 C    -0.087297    -3.664300     4.859568
 C    -0.402472    -4.379098     6.014914
 C     0.087297    -5.672268     6.190021
 C     0.891107    -6.252561     5.210306
 C     1.206282    -5.155384     4.053776
 C     0.717647    -4.244594     3.878145
 H    -0.951194    -3.983270     6.683857
 H    -0.128111    -6.158408     6.978479
 H     1.225556    -7.134530     5.329297
 H     1.755005    -5.933592     3.386017
 H     0.931921    -3.758454     3.091394
 C    -3.907946     2.096356     4.409257
 H    -3.537219     2.949502     4.605013
 H    -4.613123     2.194353     3.776067
 C    -4.648268     1.614060     5.627189
 H    -5.215130     2.171295     6.137594
 H    -3.934022     1.325835     6.161486
 H    -5.135769     0.864675     5.307795
 C    -4.355767     1.548729    -0.744162
 H    -4.949839     1.925343    -0.106362
 H    -4.723094     0.737856    -1.077626
 C    -4.274139     2.319250    -1.837812
 H    -4.818327     2.582496    -2.569031
 H    -3.355823     2.315407    -2.119883
 H    -4.387512     2.932209    -1.122522
 H     0.308373    -3.218513    -3.064041
 C    -2.570152    -2.826527    -2.717140
 H    -4.378442    -4.644265    -5.439295
 H    -6.779669    -3.843000    -1.651341
 H    -6.779669    -4.361805    -0.195267
