                  101
structure 01
O           1.330800   -1.077085   -0.745449
O          -1.659769   -0.431665   -0.725559
O           0.383740    1.802064   -0.403520
O          -0.053570   -0.227855    1.840479
O           3.157639    1.118344   -0.651639
O          -4.147008    0.168365   -0.590109
O          -2.869709   -0.538215   -2.965788
Al          0.706100    3.245813    1.033520
Al          0.272030    1.302224    3.197089
Al          1.195010   -1.521984    2.847999
O          -0.339010   -1.580594   -3.114178
O           2.379339   -1.718724   -2.992138
O           2.042329    0.978234   -2.695189
Al         -1.674439   -0.930015    2.829999
Al          2.514109   -2.365074    0.381160
Al          0.942540   -2.541164   -2.118849
O          -1.508089    1.770014   -2.676139
O          -2.422679    2.312354   -0.588799
O          -3.320908   -2.427904   -1.013929
Al          2.933279   -0.384605   -1.777079
Al         -2.857059    0.872655   -1.740759
Al         -1.910569   -1.914494   -2.149549
O          -3.032828   -0.073675    1.868279
O          -2.107749   -2.209724    1.488650
O           0.701950    3.341633   -2.387639
Al         -3.235928   -1.160795    0.369220
Al         -0.883809    3.019684   -1.438869
Al          2.021649    2.386714   -1.459949
O          -0.531600    4.193423   -0.016500
O           2.207039    3.606223   -0.034610
O          -0.599210    2.640154    2.215109
O           1.636849    2.133564    2.205359
O           1.421919    0.005695    3.890568
O          -1.291749    0.561205    3.894868
O          -0.417400   -2.061294    3.652709
O           2.738109   -1.223914    1.833359
O           1.096660   -2.847744    1.521270
O           1.984219   -3.566743   -0.935429
O           3.865838   -1.518134   -0.617799
O          -0.665770   -3.054274   -1.327189
H          -0.278920   -1.355934   -4.051268
H           3.043799   -2.192514   -3.513098
H           1.482019    0.862645   -3.470078
H           4.009718    1.363634   -0.267980
H          -5.044967   -0.039755   -0.887079
H          -3.619738   -0.730365   -3.546958
H          -1.085009    1.457144   -3.483248
H          -3.115168    2.910094   -0.274520
H          -3.377418   -3.370633   -0.796909
H          -3.252638    0.865485    1.872599
H          -2.404689   -3.072404    1.814529
H           0.875840    4.164263   -2.867718
H          -0.373560    5.134043   -0.183760
H           2.431209    4.527243   -0.232950
H          -1.523849    2.907234    2.243239
H           2.578469    2.156224    2.409029
H           1.837599    0.036485    4.763508
H          -1.769169    0.845145    4.686588
H          -0.411440   -2.026394    4.621748
H           3.233389   -0.398025    1.791169
H           0.796290   -3.750463    1.687939
H           2.558769   -4.260673   -1.289319
H           4.629208   -2.043764   -0.898129
H          -0.700460   -3.238424   -0.377840
Al          0.002240    0.017095   -0.006610
O           3.871278   -3.701153    1.070800
H           4.674488   -3.454013    1.564549
H           3.830478   -4.675553    1.074050
O           0.922700   -4.125243   -3.397768
H           0.559420   -4.992983   -3.140178
H           1.329660   -4.238403   -4.276858
O           4.642578   -0.118835   -2.849368
H           5.569368   -0.191465   -2.554809
H           4.670518    0.165895   -3.780908
O          -4.320278    1.854654   -2.750158
H          -4.262998    2.120954   -3.685738
H          -5.218157    2.089904   -2.450769
O          -2.604339   -3.255984   -3.488118
H          -2.181979   -3.542293   -4.317188
H          -3.498098   -3.646363   -3.482918
O          -4.966608   -1.932114    1.068810
H          -5.490917   -1.539554    1.789559
H          -5.560677   -2.543704    0.594710
O          -1.821129    4.549803   -2.400579
H          -2.240449    5.348572   -2.030009
H          -1.961449    4.587563   -3.364158
O           3.484318    3.403443   -2.448779
H           3.590198    3.423263   -3.417378
H           4.232358    3.908563   -2.079609
O           1.070240    4.959223    2.114159
H           0.385250    5.568192    2.447709
H           1.929949    5.380052    2.302409
O           0.528920    2.453504    4.832668
H           0.385620    2.240014    5.773508
H           0.816250    3.382533    4.801268
O           2.190109   -2.643814    4.212938
H           1.867689   -3.438033    4.677898
H           3.122199   -2.527104    4.471208
O          -3.046988   -1.631854    4.177088
H          -3.859488   -1.171405    4.454448
H          -2.976968   -2.426484    4.738598
                  101
structure 02
O           1.339940   -1.070834   -0.760361
O          -1.657099   -0.434900   -0.738509
O           0.379052    1.803610   -0.434515
O          -0.059324   -0.228286    1.813091
O           3.155847    1.118192   -0.644103
O          -4.136424    0.160342   -0.585294
O          -2.869098   -0.542121   -2.967392
Al          0.671469    3.242944    1.013210
Al          0.161476    1.311620    3.158518
Al          1.260888   -1.430975    2.839354
O          -0.335511   -1.594394   -3.118405
O           2.386219   -1.719995   -2.995295
O           2.068305    0.985337   -2.710642
Al         -1.628668   -1.028333    2.789484
Al          2.530801   -2.340596    0.381119
Al          0.951081   -2.545034   -2.116604
O          -1.518840    1.778919   -2.694074
O          -2.423526    2.319046   -0.598926
O          -3.327303   -2.435377   -1.027567
Al          2.944712   -0.383030   -1.784125
Al         -2.856312    0.872012   -1.745661
Al         -1.907411   -1.919514   -2.155351
O          -3.020607   -0.162307    1.881369
O          -2.053907   -2.278957    1.427740
O           0.705546    3.345914   -2.402956
Al         -3.222853   -1.184452    0.353608
Al         -0.885985    3.026837   -1.461144
Al          2.022901    2.390515   -1.468740
O          -0.536794    4.207564   -0.039269
O           2.191514    3.601142   -0.033729
O          -0.691626    2.609081    2.129486
O           1.550841    2.146428    2.205286
O           1.398525    0.117562    3.873740
O          -1.341456    0.459485    3.871499
O          -0.302882   -2.064389    3.644848
O           2.766510   -1.132772    1.789778
O           1.149931   -2.791431    1.550674
O           1.994821   -3.558140   -0.922674
O           3.881031   -1.516773   -0.624391
O          -0.662003   -3.054038   -1.323235
H          -0.273375   -1.360158   -4.052829
H           3.046001   -2.191511   -3.524245
H           1.512573    0.867822   -3.488949
H           4.024802    1.378162   -0.309049
H          -5.038033   -0.039840   -0.877079
H          -3.611611   -0.731138   -3.559102
H          -1.094726    1.464323   -3.500119
H          -3.124497    2.919161   -0.307992
H          -3.385453   -3.376860   -0.805871
H          -3.230491    0.778411    1.919074
H          -2.408375   -3.117456    1.762308
H           0.881654    4.166232   -2.886161
H          -0.360912    5.145815   -0.201474
H           2.439755    4.521329   -0.205936
H          -1.617287    2.869373    2.087890
H           2.497529    2.067028    2.361829
H           1.667140    0.129648    4.802520
H          -1.882177    0.713350    4.630938
H          -0.296786   -1.949343    4.607566
H           3.297157   -0.332520    1.709443
H           0.822148   -3.681075    1.732363
H           2.569797   -4.255043   -1.270575
H           4.648255   -2.046740   -0.885001
H          -0.707856   -3.227935   -0.371629
Al          0.007433    0.018807   -0.034469
O           3.852690   -3.672368    1.124198
H           4.605691   -3.427623    1.691653
H           3.816967   -4.646954    1.110558
O           0.933520   -4.138543   -3.385920
H           0.589991   -5.010188   -3.114641
H           1.334368   -4.254245   -4.267437
O           4.660314   -0.116000   -2.834057
H           5.583624   -0.226357   -2.540277
H           4.696791    0.178280   -3.762025
O          -4.331575    1.852792   -2.743686
H          -4.274875    2.131307   -3.675720
H          -5.234744    2.068746   -2.445772
O          -2.605797   -3.266453   -3.478964
H          -2.172911   -3.578942   -4.292539
H          -3.503514   -3.647650   -3.474893
O          -4.940695   -1.944608    1.101602
H          -5.435490   -1.519249    1.825240
H          -5.566208   -2.541823    0.650243
O          -1.826279    4.555848   -2.404186
H          -2.215473    5.364604   -2.022770
H          -1.977624    4.601829   -3.365484
O           3.496954    3.406181   -2.440202
H           3.616521    3.415261   -3.407394
H           4.219271    3.945657   -2.068349
O           1.030734    4.910837    2.143603
H           0.361099    5.539867    2.468641
H           1.900990    5.260863    2.411888
O           0.169762    2.463205    4.802807
H          -0.071649    2.198759    5.708870
H           0.371056    3.413957    4.834330
O           2.366586   -2.350658    4.262055
H           2.171236   -3.136653    4.804011
H           3.242081   -2.023290    4.536735
O          -2.873078   -1.925684    4.129877
H          -3.713440   -1.616016    4.512806
H          -2.602812   -2.707698    4.645822
                  101
structure 03
O           1.347190   -1.063108   -0.773258
O          -1.655128   -0.436325   -0.746597
O           0.373809    1.803910   -0.461851
O          -0.064831   -0.231779    1.798130
O           3.159291    1.120830   -0.643247
O          -4.129666    0.157844   -0.578318
O          -2.868498   -0.545406   -2.968389
Al          0.642830    3.235239    0.991844
Al          0.048907    1.313155    3.125988
Al          1.329320   -1.337351    2.844175
O          -0.333840   -1.607383   -3.123951
O           2.393223   -1.724065   -2.995131
O           2.087316    0.989984   -2.722405
Al         -1.568768   -1.128753    2.758584
Al          2.538288   -2.315732    0.379450
Al          0.955916   -2.548510   -2.115581
O          -1.529026    1.785664   -2.708167
O          -2.422380    2.323226   -0.602958
O          -3.334273   -2.436676   -1.037245
Al          2.954024   -0.381433   -1.790161
Al         -2.855728    0.871355   -1.748636
Al         -1.905287   -1.926258   -2.160984
O          -2.987779   -0.232171    1.892178
O          -2.010515   -2.338920    1.377831
O           0.708802    3.348793   -2.416247
Al         -3.209664   -1.198080    0.342858
Al         -0.887007    3.031656   -1.480554
Al          2.026017    2.393478   -1.477561
O          -0.543042    4.216961   -0.056801
O           2.179250    3.597435   -0.035193
O          -0.772914    2.582999    2.055399
O           1.471978    2.133181    2.184994
O           1.352366    0.228562    3.881942
O          -1.362974    0.320041    3.895776
O          -0.172366   -2.067862    3.654727
O           2.786636   -1.043964    1.744845
O           1.184233   -2.721963    1.571154
O           2.000344   -3.551498   -0.910275
O           3.892076   -1.516002   -0.628143
O          -0.657763   -3.049479   -1.316651
H          -0.271146   -1.364180   -4.055959
H           3.051019   -2.193344   -3.528540
H           1.533507    0.870901   -3.502103
H           4.037691    1.393109   -0.342950
H          -5.030373   -0.045271   -0.872252
H          -3.604683   -0.731241   -3.569061
H          -1.104593    1.469692   -3.513711
H          -3.132377    2.928949   -0.345908
H          -3.390507   -3.376175   -0.806858
H          -3.208818    0.705548    1.950474
H          -2.414030   -3.153692    1.718481
H           0.887485    4.168050   -2.900435
H          -0.348729    5.152850   -0.212057
H           2.446089    4.516696   -0.184094
H          -1.693536    2.830977    1.925181
H           2.416863    1.996306    2.307359
H           1.487823    0.223438    4.839541
H          -2.038852    0.569728    4.540172
H          -0.183097   -1.880921    4.606485
H           3.380027   -0.292916    1.637089
H           0.853416   -3.606180    1.771372
H           2.580142   -4.244518   -1.258961
H           4.663906   -2.049300   -0.867220
H          -0.711121   -3.216029   -0.363205
Al          0.011716    0.021103   -0.045769
O           3.825760   -3.643751    1.178955
H           4.527762   -3.398573    1.807881
H           3.811234   -4.618421    1.140369
O           0.943543   -4.149780   -3.373159
H           0.617263   -5.025036   -3.092154
H           1.337622   -4.265508   -4.257802
O           4.674023   -0.114196   -2.819370
H           5.592520   -0.259051   -2.525493
H           4.720255    0.190367   -3.743315
O          -4.336246    1.853763   -2.735548
H          -4.281339    2.141746   -3.664946
H          -5.245103    2.048428   -2.440203
O          -2.607199   -3.275521   -3.469291
H          -2.167561   -3.610609   -4.269867
H          -3.509501   -3.645647   -3.465795
O          -4.914226   -1.947255    1.132341
H          -5.382708   -1.503314    1.863050
H          -5.563611   -2.533006    0.700183
O          -1.829946    4.560133   -2.405708
H          -2.191217    5.377870   -2.016055
H          -1.988914    4.613658   -3.365198
O           3.508793    3.406577   -2.433834
H           3.641154    3.410360   -3.399457
H           4.203455    3.979116   -2.058644
O           1.000609    4.860721    2.169326
H           0.342650    5.500251    2.495772
H           1.870151    5.149215    2.505741
O          -0.204487    2.464207    4.754630
H          -0.513580    2.137834    5.619119
H          -0.077824    3.423690    4.848802
O           2.549526   -2.048763    4.305337
H           2.472244   -2.801279    4.919829
H           3.317666   -1.522069    4.596582
O          -2.687716   -2.230167    4.073730
H          -3.521319   -2.065259    4.551125
H          -2.232464   -2.950738    4.549668
                  101
structure 04
O           1.349682   -1.055503   -0.783187
O          -1.650339   -0.432402   -0.753105
O           0.368066    1.801697   -0.489534
O          -0.069087   -0.237598    1.801620
O           3.164752    1.124691   -0.645636
O          -4.128222    0.163249   -0.574887
O          -2.866639   -0.546633   -2.966996
Al          0.632884    3.218550    0.973181
Al         -0.071957    1.299231    3.101699
Al          1.393696   -1.227398    2.860671
O          -0.333685   -1.618916   -3.127577
O           2.398158   -1.727695   -2.992646
O           2.103715    0.992514   -2.732162
Al         -1.492956   -1.232565    2.747976
Al          2.523247   -2.294650    0.375432
Al          0.958183   -2.554518   -2.118964
O          -1.539699    1.795228   -2.719498
O          -2.422472    2.328444   -0.601308
O          -3.337617   -2.426416   -1.034297
Al          2.960052   -0.380211   -1.792386
Al         -2.855975    0.873792   -1.751873
Al         -1.903162   -1.928709   -2.159087
O          -2.933369   -0.255316    1.886274
O          -1.989898   -2.375307    1.349877
O           0.712869    3.351074   -2.426773
Al         -3.196256   -1.192322    0.341559
Al         -0.884601    3.033724   -1.493485
Al          2.031940    2.396477   -1.487886
O          -0.540522    4.215973   -0.063990
O           2.177121    3.596282   -0.041096
O          -0.824493    2.565570    2.001721
O           1.421812    2.075483    2.121694
O           1.268031    0.351556    3.923113
O          -1.396052    0.154996    3.952308
O          -0.011890   -2.063462    3.692077
O           2.794987   -0.974859    1.707198
O           1.173647   -2.646294    1.565312
O           2.001673   -3.550740   -0.904385
O           3.890806   -1.517672   -0.623088
O          -0.652489   -3.046476   -1.310116
H          -0.272585   -1.366975   -4.057332
H           3.054716   -2.193350   -3.530841
H           1.551395    0.871648   -3.512805
H           4.049078    1.405867   -0.370578
H          -5.023128   -0.052521   -0.878903
H          -3.596395   -0.731452   -3.575902
H          -1.113194    1.475877   -3.522831
H          -3.140559    2.940820   -0.382099
H          -3.399872   -3.363841   -0.797766
H          -3.222758    0.666486    1.942360
H          -2.424063   -3.177864    1.682345
H           0.892211    4.169730   -2.911861
H          -0.335081    5.151231   -0.207154
H           2.448556    4.516747   -0.174996
H          -1.731468    2.777786    1.759246
H           2.374601    1.965443    2.216287
H           1.299954    0.338879    4.890327
H          -2.216447    0.373529    4.417873
H          -0.047968   -1.830647    4.633591
H           3.459682   -0.290195    1.580782
H           0.894867   -3.544207    1.788634
H           2.593856   -4.232194   -1.256435
H           4.666691   -2.054332   -0.840014
H          -0.699939   -3.207683   -0.354855
Al          0.016307    0.023820   -0.048378
O           3.779555   -3.621235    1.237966
H           4.449885   -3.371072    1.898418
H           3.805011   -4.594149    1.167766
O           0.951409   -4.160056   -3.365494
H           0.641549   -5.037841   -3.073512
H           1.339863   -4.277674   -4.252547
O           4.685706   -0.116692   -2.803452
H           5.600480   -0.288249   -2.512076
H           4.738377    0.198982   -3.723138
O          -4.339339    1.856984   -2.729630
H          -4.287496    2.152720   -3.656991
H          -5.253143    2.030552   -2.436022
O          -2.610075   -3.281854   -3.455289
H          -2.162900   -3.634680   -4.243886
H          -3.515772   -3.643797   -3.456483
O          -4.889632   -1.937513    1.167187
H          -5.343741   -1.488546    1.904496
H          -5.552493   -2.515467    0.745096
O          -1.831152    4.564009   -2.401579
H          -2.169039    5.390193   -2.008446
H          -1.996010    4.621199   -3.359779
O           3.519674    3.406977   -2.430846
H           3.664785    3.407004   -3.394688
H           4.188159    4.007443   -2.051624
O           0.985723    4.802062    2.199827
H           0.331970    5.447576    2.522549
H           1.846641    5.050271    2.587248
O          -0.616232    2.432466    4.688181
H          -0.928840    2.059415    5.533945
H          -0.521539    3.390580    4.825735
O           2.717657   -1.698112    4.355437
H           2.745393   -2.433159    4.993825
H           3.374138   -1.039094    4.658827
O          -2.462944   -2.547430    4.018372
H          -3.272504   -2.475994    4.556977
H          -1.880648   -3.183539    4.481367
                  101
structure 05
O           1.343841   -1.048642   -0.782296
O          -1.640301   -0.423051   -0.754805
O           0.360855    1.793633   -0.511240
O          -0.068398   -0.250126    1.839170
O           3.173772    1.127663   -0.650260
O          -4.141620    0.181427   -0.590065
O          -2.861298   -0.545425   -2.964332
Al          0.674847    3.169279    0.975919
Al         -0.328480    1.228950    3.131628
Al          1.467193   -0.993388    2.913787
O          -0.335903   -1.627737   -3.127194
O           2.399384   -1.729032   -2.986818
O           2.113701    0.990936   -2.735033
Al         -1.312956   -1.421505    2.768359
Al          2.457680   -2.301126    0.376698
Al          0.956649   -2.564420   -2.128459
O          -1.546683    1.805904   -2.723191
O          -2.423176    2.334280   -0.593821
O          -3.329339   -2.396488   -1.002491
Al          2.959494   -0.382912   -1.783614
Al         -2.857029    0.880617   -1.756325
Al         -1.901841   -1.924389   -2.142450
O          -2.903887   -0.125702    1.828317
O          -2.017707   -2.357736    1.368666
O           0.716159    3.350954   -2.431635
Al         -3.189312   -1.133005    0.363684
Al         -0.876264    3.031711   -1.490214
Al          2.040584    2.399714   -1.496856
O          -0.519623    4.186561   -0.041362
O           2.193755    3.602961   -0.057544
O          -0.820967    2.542145    1.995611
O           1.512239    1.960764    1.977004
O           1.114906    0.541485    3.987924
O          -1.475377   -0.063322    3.994541
O           0.227852   -2.038414    3.746974
O           2.793349   -0.977759    1.703834
O           1.048451   -2.637984    1.477744
O           2.001294   -3.564026   -0.918429
O           3.862787   -1.523849   -0.595346
O          -0.647346   -3.048714   -1.304437
H          -0.277151   -1.367190   -4.054591
H           3.055826   -2.191415   -3.527798
H           1.562601    0.870425   -3.516384
H           4.060925    1.414053   -0.389952
H          -5.024183   -0.064535   -0.906217
H          -3.588048   -0.732189   -3.576164
H          -1.119062    1.482100   -3.524211
H          -3.146673    2.951441   -0.405477
H          -3.412946   -3.334350   -0.776648
H          -3.360490    0.730193    1.829826
H          -2.457601   -3.178559    1.644234
H           0.895065    4.169824   -2.916090
H          -0.317922    5.123918   -0.174295
H           2.444781    4.529838   -0.183556
H          -1.694598    2.723522    1.623764
H           2.475830    2.020930    2.025123
H           1.119212    0.512548    4.955698
H          -2.384516    0.096192    4.290318
H           0.133190   -1.813217    4.687064
H           3.491714   -0.338494    1.522589
H           0.922488   -3.565036    1.732652
H           2.617749   -4.222663   -1.271453
H           4.642352   -2.059832   -0.798781
H          -0.658378   -3.200086   -0.346507
Al          0.019120    0.029179   -0.049989
O           3.718754   -3.611703    1.288296
H           4.384428   -3.350710    1.949283
H           3.793458   -4.579329    1.187377
O           0.953259   -4.167961   -3.366229
H           0.659279   -5.046995   -3.061756
H           1.341052   -4.288111   -4.252962
O           4.693338   -0.125158   -2.788003
H           5.607573   -0.309022   -2.502484
H           4.746849    0.201719   -3.703862
O          -4.340225    1.862394   -2.728495
H          -4.292658    2.162924   -3.654296
H          -5.256796    2.017231   -2.433277
O          -2.615368   -3.284117   -3.438172
H          -2.159704   -3.646205   -4.218001
H          -3.522189   -3.643060   -3.449993
O          -4.866385   -1.917220    1.206418
H          -5.326053   -1.471120    1.941872
H          -5.529241   -2.488626    0.775555
O          -1.827496    4.567786   -2.390400
H          -2.153570    5.400616   -2.001336
H          -1.995840    4.622484   -3.348468
O           3.528378    3.406483   -2.432096
H           3.682947    3.405625   -3.394104
H           4.175625    4.026163   -2.047212
O           0.987464    4.736131    2.235686
H           0.330317    5.389726    2.535737
H           1.837830    4.979248    2.647492
O          -1.012969    2.351575    4.643782
H          -1.271102    1.999813    5.517705
H          -0.859088    3.305151    4.760786
O           2.810685   -1.305519    4.426371
H           2.917775   -2.100040    4.976301
H           3.460814   -0.650378    4.747290
O          -2.190684   -2.825109    3.990715
H          -3.013571   -2.743482    4.505422
H          -1.612796   -3.426277    4.502409
                  101
structure 06
O           1.332738   -1.051263   -0.768398
O          -1.633704   -0.413023   -0.748939
O           0.364961    1.784699   -0.506182
O          -0.056411   -0.254048    1.852366
O           3.184141    1.127284   -0.655169
O          -4.149354    0.198907   -0.593223
O          -2.858168   -0.543520   -2.958079
Al          0.724909    3.086732    1.011782
Al         -0.702924    1.100886    3.142879
Al          1.551650   -0.578564    2.986235
O          -0.339455   -1.631589   -3.122883
O           2.398233   -1.731563   -2.976618
O           2.115678    0.985414   -2.729798
Al         -0.996659   -1.693080    2.743814
Al          2.361350   -2.315966    0.403739
Al          0.950409   -2.576204   -2.134290
O          -1.544622    1.810533   -2.718293
O          -2.421657    2.341284   -0.591692
O          -3.317175   -2.362732   -0.958329
Al          2.959368   -0.390516   -1.770001
Al         -2.859489    0.887199   -1.756644
Al         -1.905584   -1.922417   -2.123193
O          -2.887456    0.127580    1.775739
O          -2.064050   -2.297292    1.421836
O           0.720013    3.349534   -2.425814
Al         -3.164534   -1.051789    0.414854
Al         -0.869815    3.032791   -1.477903
Al          2.049012    2.399841   -1.498470
O          -0.491974    4.147070   -0.007479
O           2.209404    3.591420   -0.050880
O          -0.799415    2.497143    2.014551
O           1.702455    1.838881    1.887676
O           0.896344    0.773461    4.019822
O          -1.540459   -0.325700    3.956669
O           0.523305   -1.945207    3.759161
O           2.753761   -1.018764    1.739012
O           0.829839   -2.746952    1.359886
O           1.993252   -3.573511   -0.921669
O           3.824403   -1.529782   -0.555183
O          -0.648220   -3.052789   -1.300752
H          -0.281770   -1.366525   -4.049207
H           3.053461   -2.189564   -3.523115
H           1.570012    0.868392   -3.515655
H           4.073216    1.413811   -0.402804
H          -5.018899   -0.082084   -0.914778
H          -3.581970   -0.731287   -3.573319
H          -1.121552    1.487090   -3.522071
H          -3.147383    2.958238   -0.411058
H          -3.422654   -3.303845   -0.755040
H          -3.516882    0.857252    1.697621
H          -2.494317   -3.146250    1.617723
H           0.896597    4.166428   -2.914818
H          -0.301366    5.088397   -0.133008
H           2.430090    4.527118   -0.168838
H          -1.628765    2.695647    1.545667
H           2.638928    2.062231    1.804727
H           0.925764    0.691210    4.984711
H          -2.473651   -0.209482    4.192964
H           0.316927   -1.772252    4.694845
H           3.475757   -0.427511    1.473225
H           0.882948   -3.670089    1.653800
H           2.634951   -4.210470   -1.267483
H           4.607957   -2.062204   -0.756614
H          -0.615052   -3.196287   -0.339564
Al          0.017490    0.033753   -0.055018
O           3.659730   -3.606746    1.322247
H           4.325481   -3.335931    1.980447
H           3.778327   -4.567214    1.195640
O           0.956883   -4.173378   -3.364823
H           0.668870   -5.052211   -3.054241
H           1.342581   -4.293606   -4.252093
O           4.697485   -0.132918   -2.776762
H           5.612402   -0.321720   -2.496837
H           4.749808    0.201224   -3.690423
O          -4.340884    1.864234   -2.726775
H          -4.295351    2.167205   -3.651555
H          -5.258540    2.009261   -2.430024
O          -2.621194   -3.284168   -3.425731
H          -2.158783   -3.650462   -4.200071
H          -3.527528   -3.643645   -3.446183
O          -4.843063   -1.881143    1.243937
H          -5.325534   -1.460423    1.979018
H          -5.490406   -2.454130    0.790152
O          -1.821760    4.571795   -2.380395
H          -2.144807    5.408023   -1.996260
H          -1.993486    4.621842   -3.338516
O           3.531865    3.407720   -2.429726
H           3.690495    3.405244   -3.390875
H           4.168540    4.037102   -2.043007
O           0.999742    4.675399    2.261167
H           0.330742    5.327245    2.541604
H           1.838779    4.935419    2.684794
O          -1.319867    2.265725    4.612912
H          -1.504425    1.957333    5.520500
H          -1.050744    3.200192    4.684796
O           2.858724   -0.964223    4.472073
H           2.969267   -1.838816    4.889858
H           3.549018   -0.383788    4.840569
O          -1.936154   -3.029729    3.960048
H          -2.785540   -2.861965    4.412705
H          -1.436687   -3.619659    4.555488
                  101
structure 07
O           1.322630   -1.061570   -0.761515
O          -1.635164   -0.404041   -0.747214
O           0.383279    1.773743   -0.490870
O          -0.065237   -0.252638    1.783091
O           3.192352    1.125405   -0.646722
O          -4.127347    0.210215   -0.548016
O          -2.864146   -0.543410   -2.946431
Al          0.727800    3.008666    1.060885
Al         -1.031598    0.961373    3.038317
Al          1.578477   -0.181903    2.925746
O          -0.342500   -1.635038   -3.116601
O           2.402115   -1.740059   -2.961376
O           2.118952    0.979792   -2.719987
Al         -0.713959   -1.869782    2.644327
Al          2.311257   -2.298339    0.445567
Al          0.947594   -2.579323   -2.126989
O          -1.537374    1.810069   -2.707678
O          -2.419240    2.348026   -0.589853
O          -3.305823   -2.344150   -0.922640
Al          2.964529   -0.398865   -1.758302
Al         -2.859540    0.889363   -1.749281
Al         -1.913958   -1.925731   -2.113425
O          -2.786082    0.302320    1.797304
O          -2.064044   -2.252680    1.464411
O           0.727684    3.351193   -2.410252
Al         -3.108931   -1.013914    0.465393
Al         -0.865116    3.038974   -1.467687
Al          2.052462    2.395801   -1.490169
O          -0.472344    4.118156    0.015737
O           2.212849    3.539329    0.002828
O          -0.812727    2.449052    2.003596
O           1.799812    1.696984    1.920267
O           0.633474    0.937799    3.981510
O          -1.551205   -0.556736    3.897367
O           0.749330   -1.776471    3.728619
O           2.701898   -1.014439    1.755321
O           0.684791   -2.797265    1.379411
O           1.966630   -3.566870   -0.877355
O           3.804744   -1.531906   -0.527838
O          -0.651877   -3.053270   -1.296295
H          -0.283851   -1.368451   -4.042600
H           3.051826   -2.188814   -3.522133
H           1.583328    0.867844   -3.513947
H           4.089692    1.411483   -0.422353
H          -4.989910   -0.098441   -0.866461
H          -3.577151   -0.727604   -3.575287
H          -1.124515    1.493792   -3.519857
H          -3.145682    2.966363   -0.415542
H          -3.430300   -3.286507   -0.734773
H          -3.494406    0.955678    1.688913
H          -2.491996   -3.111939    1.615227
H           0.899747    4.160147   -2.914455
H          -0.286391    5.062302   -0.095798
H           2.411747    4.483665   -0.094410
H          -1.592955    2.687749    1.469817
H           2.698315    1.935975    1.648312
H           0.672329    0.797613    4.938660
H          -2.487925   -0.522048    4.141232
H           0.457166   -1.644302    4.646352
H           3.480465   -0.510028    1.465220
H           0.808125   -3.729623    1.627609
H           2.628920   -4.189024   -1.213471
H           4.593280   -2.061475   -0.717871
H          -0.616433   -3.201647   -0.335940
Al          0.012585    0.030735   -0.068666
O           3.606407   -3.591434    1.359792
H           4.245240   -3.317933    2.044439
H           3.768268   -4.542241    1.206689
O           0.971155   -4.178443   -3.347881
H           0.680867   -5.057934   -3.040720
H           1.346554   -4.295224   -4.240388
O           4.702935   -0.135203   -2.762872
H           5.616751   -0.338518   -2.488343
H           4.757636    0.202927   -3.675341
O          -4.343607    1.858668   -2.715712
H          -4.296437    2.165478   -3.639510
H          -5.263512    1.999000   -2.422584
O          -2.626831   -3.286071   -3.415278
H          -2.158163   -3.660742   -4.182257
H          -3.533524   -3.644792   -3.441651
O          -4.812969   -1.832319    1.282499
H          -5.313290   -1.459173    2.031321
H          -5.440661   -2.414729    0.810847
O          -1.817171    4.575783   -2.372181
H          -2.132500    5.416341   -1.990146
H          -1.994006    4.624605   -3.329823
O           3.531735    3.411951   -2.414304
H           3.693203    3.403194   -3.375498
H           4.160646    4.053150   -2.033267
O           1.009676    4.606999    2.281773
H           0.321498    5.238313    2.566456
H           1.833340    4.874342    2.731118
O          -1.654114    2.165432    4.518670
H          -1.773442    1.865363    5.440812
H          -1.272357    3.062254    4.583034
O           2.916028   -0.587688    4.416038
H           2.991232   -1.496409    4.773426
H           3.566355   -0.038885    4.890819
O          -1.655735   -3.226385    3.877304
H          -2.503341   -2.994599    4.309417
H          -1.184212   -3.773218    4.534334
                  101
structure 08
O           1.322978   -1.065583   -0.761496
O          -1.637545   -0.402555   -0.746313
O           0.392380    1.764832   -0.485977
O          -0.074889   -0.263069    1.737703
O           3.196963    1.127227   -0.623398
O          -4.107503    0.209015   -0.513261
O          -2.869327   -0.548970   -2.934644
Al          0.705818    2.984142    1.089048
Al         -1.205922    0.873877    2.953699
Al          1.560807    0.002089    2.898509
O          -0.341286   -1.643268   -3.109090
O           2.410555   -1.745440   -2.946095
O           2.132451    0.979976   -2.708504
Al         -0.577841   -1.924173    2.621780
Al          2.305357   -2.280027    0.478912
Al          0.954043   -2.580713   -2.111497
O          -1.537225    1.809368   -2.699149
O          -2.418552    2.351789   -0.582210
O          -3.293434   -2.345738   -0.895953
Al          2.969835   -0.403082   -1.742682
Al         -2.858406    0.885419   -1.739108
Al         -1.915242   -1.931587   -2.107136
O          -2.772504    0.344429    1.815682
O          -2.034510   -2.236469    1.497184
O           0.731414    3.350849   -2.401965
Al         -3.078772   -1.019552    0.488660
Al         -0.861209    3.042288   -1.462779
Al          2.052736    2.396683   -1.477498
O          -0.470108    4.106683    0.027339
O           2.199379    3.512723    0.034451
O          -0.856113    2.404942    1.970493
O           1.836237    1.695246    1.950641
O           0.438960    1.029119    3.916844
O          -1.546119   -0.711289    3.837471
O           0.886101   -1.643792    3.708028
O           2.662997   -0.978088    1.767909
O           0.674380   -2.836675    1.396452
O           1.962567   -3.558570   -0.842078
O           3.801199   -1.527870   -0.501123
O          -0.650431   -3.052950   -1.286887
H          -0.280624   -1.373934   -4.034330
H           3.053193   -2.187036   -3.520424
H           1.607099    0.871157   -3.510263
H           4.105263    1.415326   -0.446571
H          -4.969997   -0.110422   -0.820189
H          -3.569238   -0.724961   -3.580312
H          -1.131289    1.500972   -3.518153
H          -3.144558    2.976878   -0.428954
H          -3.438702   -3.287362   -0.720347
H          -3.470000    1.007446    1.689656
H          -2.449741   -3.106381    1.611334
H           0.903265    4.153646   -2.916095
H          -0.273654    5.049588   -0.073386
H           2.411135    4.456399   -0.027178
H          -1.594748    2.642754    1.378774
H           2.684005    1.807038    1.491832
H           0.450094    0.898281    4.875622
H          -2.479147   -0.802317    4.078927
H           0.583016   -1.539250    4.624349
H           3.486170   -0.536283    1.502276
H           0.778327   -3.785340    1.581585
H           2.634206   -4.174136   -1.170792
H           4.594039   -2.055391   -0.676522
H          -0.622562   -3.203075   -0.327335
Al          0.012119    0.023616   -0.083263
O           3.572547   -3.566214    1.410947
H           4.154396   -3.300767    2.146989
H           3.773372   -4.504843    1.232280
O           0.986772   -4.184875   -3.325032
H           0.703359   -5.066593   -3.017723
H           1.352237   -4.298196   -4.222214
O           4.712047   -0.134515   -2.740531
H           5.622051   -0.363877   -2.473414
H           4.771182    0.208449   -3.651183
O          -4.347289    1.851477   -2.700185
H          -4.297842    2.165734   -3.621579
H          -5.270751    1.981053   -2.412560
O          -2.630959   -3.292241   -3.401857
H          -2.155107   -3.681699   -4.157139
H          -3.540280   -3.643971   -3.435839
O          -4.782541   -1.808546    1.319555
H          -5.274059   -1.455444    2.084114
H          -5.410526   -2.389920    0.847769
O          -1.815687    4.579338   -2.364542
H          -2.112478    5.426646   -1.981975
H          -1.998177    4.631021   -3.321178
O           3.534304    3.415774   -2.394158
H           3.702788    3.397436   -3.354228
H           4.145054    4.078391   -2.019579
O           0.994321    4.546883    2.312067
H           0.298200    5.158567    2.617539
H           1.808233    4.780205    2.796686
O          -1.994376    2.032527    4.386797
H          -2.158256    1.728518    5.301439
H          -1.612198    2.927266    4.476379
O           2.966430   -0.185917    4.325131
H           3.097512   -1.075251    4.711038
H           3.488570    0.444110    4.856245
O          -1.336440   -3.406260    3.788103
H          -2.184672   -3.242747    4.247557
H          -0.805982   -3.925208    4.424217
                  101
structure 09
O           1.330828   -1.060846   -0.756648
O          -1.636470   -0.408726   -0.745643
O           0.391143    1.760668   -0.491320
O          -0.074638   -0.272115    1.720835
O           3.197787    1.135146   -0.599919
O          -4.098295    0.193356   -0.502019
O          -2.868781   -0.557606   -2.927848
Al          0.666066    2.976356    1.097826
Al         -1.284604    0.816213    2.911559
Al          1.536278    0.092505    2.898905
O          -0.335152   -1.656587   -3.101795
O           2.420477   -1.746665   -2.930001
O           2.150969    0.984788   -2.699571
Al         -0.494620   -1.945838    2.622787
Al          2.319607   -2.254014    0.507866
Al          0.965886   -2.581178   -2.091490
O          -1.544643    1.810143   -2.696773
O          -2.420361    2.352285   -0.576582
O          -3.283018   -2.359776   -0.881518
Al          2.975063   -0.401516   -1.726595
Al         -2.858244    0.875878   -1.730731
Al         -1.910973   -1.937945   -2.101872
O          -2.805884    0.307508    1.814030
O          -1.991342   -2.254070    1.505795
O           0.730724    3.348452   -2.404613
Al         -3.064135   -1.048089    0.495907
Al         -0.861050    3.044558   -1.466222
Al          2.050520    2.403185   -1.468321
O          -0.482862    4.105780    0.029639
O           2.170240    3.511845    0.044034
O          -0.916529    2.358848    1.924762
O           1.827110    1.725183    1.949439
O           0.315650    1.085032    3.882413
O          -1.531863   -0.815733    3.797121
O           0.971763   -1.551089    3.712748
O           2.653223   -0.928447    1.783235
O           0.715971   -2.842903    1.414810
O           1.974534   -3.546350   -0.812093
O           3.807584   -1.518024   -0.477016
O          -0.644090   -3.052966   -1.274453
H          -0.273052   -1.382257   -4.025420
H           3.055884   -2.182791   -3.516334
H           1.635182    0.875618   -3.507771
H           4.112414    1.426855   -0.461109
H          -4.963954   -0.122054   -0.802181
H          -3.558168   -0.726052   -3.586547
H          -1.141594    1.508071   -3.519730
H          -3.144141    2.985837   -0.446648
H          -3.446077   -3.299633   -0.714269
H          -3.477799    0.992125    1.668267
H          -2.398835   -3.128266    1.605713
H           0.905107    4.149056   -2.921219
H          -0.261292    5.043446   -0.066219
H           2.419315    4.447155    0.017224
H          -1.626922    2.560630    1.284450
H           2.617732    1.730181    1.381956
H           0.291580    0.994207    4.845256
H          -2.454379   -1.021642    4.003755
H           0.692764   -1.474993    4.638605
H           3.490606   -0.505050    1.536001
H           0.777362   -3.805686    1.525858
H           2.648434   -4.159936   -1.139166
H           4.604261   -2.044298   -0.636040
H          -0.633179   -3.196379   -0.314684
Al          0.012204    0.018159   -0.093037
O           3.552720   -3.533841    1.470051
H           4.057729   -3.281993    2.264581
H           3.792728   -4.459075    1.272827
O           1.004549   -4.192908   -3.299512
H           0.732429   -5.077380   -2.989859
H           1.357992   -4.303171   -4.201981
O           4.723538   -0.134179   -2.714363
H           5.627741   -0.393524   -2.454692
H           4.788967    0.217026   -3.621494
O          -4.351207    1.845371   -2.685853
H          -4.301098    2.170642   -3.603476
H          -5.278563    1.958104   -2.403358
O          -2.632192   -3.301900   -3.386435
H          -2.150615   -3.709849   -4.128106
H          -3.546070   -3.640946   -3.428347
O          -4.755864   -1.810910    1.351603
H          -5.220020   -1.449107    2.129021
H          -5.403456   -2.382838    0.896322
O          -1.815843    4.583165   -2.358965
H          -2.088227    5.437185   -1.972921
H          -2.005717    4.640051   -3.313873
O           3.539587    3.419678   -2.375798
H           3.720478    3.390212   -3.333409
H           4.124225    4.108611   -2.006756
O           0.958136    4.490777    2.350686
H           0.265112    5.093254    2.678922
H           1.765350    4.671852    2.867022
O          -2.280623    1.891576    4.255765
H          -2.591586    1.568352    5.123457
H          -2.020341    2.822214    4.390041
O           2.989672    0.184662    4.245312
H           3.272828   -0.626657    4.708304
H           3.356323    0.944111    4.734556
O          -1.023109   -3.555435    3.703970
H          -1.857948   -3.568345    4.211958
H          -0.383149   -4.042856    4.258758
                  101
structure 10
O           1.341525   -1.049163   -0.748170
O          -1.631414   -0.420044   -0.742960
O           0.380595    1.758725   -0.502580
O          -0.070505   -0.281034    1.724359
O           3.193584    1.146716   -0.582930
O          -4.091143    0.168866   -0.501490
O          -2.860243   -0.565884   -2.927039
Al          0.614755    2.971865    1.093979
Al         -1.343194    0.765156    2.887538
Al          1.512955    0.158386    2.912758
O          -0.326085   -1.672343   -3.096699
O           2.429864   -1.747043   -2.913509
O           2.171584    0.991676   -2.696029
Al         -0.424784   -1.961303    2.634328
Al          2.342904   -2.220593    0.533419
Al          0.978585   -2.581303   -2.070009
O          -1.555054    1.810375   -2.699119
O          -2.423534    2.349155   -0.575850
O          -3.277553   -2.377423   -0.879610
Al          2.981064   -0.395824   -1.713970
Al         -2.858893    0.864616   -1.727030
Al         -1.901974   -1.945813   -2.099619
O          -2.836603    0.247136    1.805499
O          -1.937154   -2.290953    1.497189
O           0.726975    3.346044   -2.413509
Al         -3.051903   -1.089453    0.493859
Al         -0.863564    3.044885   -1.474940
Al          2.044934    2.411135   -1.464890
O          -0.505974    4.109704    0.026240
O           2.130684    3.521044    0.043180
O          -0.981434    2.307935    1.876559
O           1.791035    1.748845    1.933199
O           0.216335    1.121066    3.868778
O          -1.524014   -0.901404    3.771218
O           1.035635   -1.479513    3.733898
O           2.655194   -0.872164    1.802599
O           0.770985   -2.827093    1.433239
O           1.993674   -3.529742   -0.783040
O           3.818884   -1.501513   -0.454960
O          -0.634134   -3.049083   -1.256290
H          -0.261355   -1.389103   -4.017539
H           3.059684   -2.180393   -3.507899
H           1.662115    0.876946   -3.507719
H           4.110993    1.441475   -0.466100
H          -4.962922   -0.134094   -0.795650
H          -3.547513   -0.729674   -3.589159
H          -1.156244    1.514405   -3.526659
H          -3.143673    2.990645   -0.462170
H          -3.447803   -3.316262   -0.714870
H          -3.492603    0.942696    1.639209
H          -2.351764   -3.160442    1.607449
H           0.905665    4.148244   -2.926309
H          -0.246615    5.037714   -0.069510
H           2.431224    4.440884    0.052390
H          -1.670414    2.467855    1.198749
H           2.539904    1.683615    1.311049
H           0.170065    1.096006    4.835337
H          -2.427904   -1.203673    3.935828
H           0.803875   -1.437733    4.674747
H           3.493804   -0.450074    1.558899
H           0.790545   -3.796442    1.470509
H           2.667364   -4.143322   -1.110300
H           4.616783   -2.029913   -0.599420
H          -0.642494   -3.174062   -0.294400
Al          0.013745    0.017596   -0.084830
O           3.537884   -3.493822    1.531859
H           3.958123   -3.255382    2.377958
H           3.819344   -4.404722    1.324739
O           1.021115   -4.199192   -3.271669
H           0.764705   -5.087202   -2.958539
H           1.363195   -4.306972   -4.179038
O           4.734133   -0.135634   -2.686239
H           5.630803   -0.426084   -2.432949
H           4.808833    0.228166   -3.587709
O          -4.353273    1.838055   -2.673679
H          -4.303603    2.178005   -3.586159
H          -5.284102    1.931765   -2.395599
O          -2.630463   -3.311712   -3.369889
H          -2.145914   -3.740912   -4.097359
H          -3.549593   -3.635752   -3.417419
O          -4.728522   -1.821823    1.377359
H          -5.157752   -1.441233    2.165489
H          -5.401862   -2.384873    0.949839
O          -1.813514    4.586114   -2.355979
H          -2.060634    5.445263   -1.963980
H          -2.014104    4.649584   -3.308269
O           3.542324    3.425124   -2.360009
H           3.740794    3.382674   -3.313849
H           4.097983    4.140754   -1.996790
O           0.907375    4.429284    2.390778
H           0.222325    5.028664    2.740148
H           1.709425    4.557634    2.929248
O          -2.528503    1.752735    4.143768
H          -3.020283    1.383045    4.901637
H          -2.455554    2.712135    4.299998
O           2.978734    0.527996    4.192988
H           3.457264   -0.144704    4.712907
H           3.209834    1.398165    4.566897
O          -0.718774   -3.680722    3.634478
H          -1.503964   -3.923362    4.163008
H           0.032045   -4.125822    4.074158
