         100
          10
 O      0.729954     -4.237899      2.190572
 O     -0.827459     -4.725505      4.367118
 O      2.644333     -1.570252     -0.127876
 O      3.265223     -4.468890      2.649383
 O     -4.733982      4.845550     -2.049356
 O     -2.392039      0.388104      3.921632
 O     -0.546781     -4.577221     -2.057221
 O      2.280643     -3.399040     -4.363710
 O     -3.517985     -4.338413      2.435346
 O     -3.840149      0.533723     -2.494300
 O      2.661540      2.281167      2.561539
 O      4.032908      2.484407     -3.116844
 O     -1.334956     -0.814228     -0.211858
 O      3.370041     -4.369904     -0.262642
 O      0.736287     -0.619632     -1.881343
 O      4.555441      3.633973      4.325839
 O      1.449292      3.820773     -1.339535
 O      0.763030      1.299002      4.242375
 O     -2.579132      3.107864     -4.881838
 O     -4.121227      3.264783      1.010591
 O      0.445660      3.110608      1.404110
 O      4.100490      0.029373      4.234817
 O     -0.544610     -2.427904     -3.964309
 O     -4.544257     -1.140537     -0.240697
 O     -1.597975      1.766930      0.567206
 O     -3.204056     -1.584421     -4.438128
 O      0.568127     -1.475452      1.790936
 O     -1.840241      2.869106     -2.074827
 O      0.940318      1.664573     -3.029255
 O      4.887119      0.650628      1.875480
 O     -4.783400     -3.997192     -4.595846
 O     -2.937846     -3.221237     -0.065258
 O      1.869479     -1.313472      4.191305
 H      0.184874     -4.314510      3.025898
 H      0.439068     -3.440507      1.686582
 H     -0.874344     -3.859346      4.864537
 H     -1.447171     -5.380420      4.808736
 H      2.706288     -2.571591     -0.092011
 H      3.561427     -1.222587     -0.292383
 H      2.256875     -4.495674      2.576513
 H      3.612496     -5.256979      3.150358
 H     -5.226966      4.006596     -2.249240
 H     -5.220170      5.323466     -1.324561
 H     -2.830526      0.360351      3.034562
 H     -2.707145     -0.388572      4.469613
 H      0.199248     -5.084021     -1.638714
 H     -1.254469     -5.226119     -2.384221
 H      3.146033     -3.814394     -4.093265
 H      1.525532     -3.917694     -3.930839
 H     -4.268571     -3.773914      2.749065
 H     -2.763399     -4.269734      3.099063
 H     -3.590969     -0.032846     -3.272740
 H     -3.095505      1.173700     -2.282481
 H      3.318035      1.572213      2.286400
 H      3.029043      2.789535      3.333447
 H      4.687906      1.841754     -2.749299
 H      3.131520      2.027842     -3.143044
 H     -1.978776     -1.573757     -0.021499
 H     -1.744052      0.029834      0.178752
 H      3.167007     -4.302386      0.735852
 H      2.727547     -5.029405     -0.661634
 H      1.536469     -1.047149     -1.451475
 H     -0.055017     -0.728415     -1.248698
 H      5.527354      3.459800      4.292382
 H      4.187524      3.233299      5.154784
 H      1.342069      3.293700     -0.513825
 H      1.351963      3.228427     -2.144763
 H      1.229993      1.678010      3.428013
 H     -0.233405      1.446890      4.179135
 H     -2.337641      2.169148     -5.178960
 H     -2.402692      3.184938     -3.909358
 H     -4.065497      3.997769      1.688184
 H     -4.861044      3.425171      0.377451
 H      1.301719      2.857994      1.869299
 H      0.253617      4.080720      1.559352
 H      4.488242      0.310697      3.346933
 H      4.848644     -0.146201      4.880052
 H     -0.585674     -3.033708     -3.185195
 H     -0.021850     -1.612335     -3.697676
 H     -4.230830     -0.690536     -1.094382
 H     -3.965072     -1.971559     -0.080572
 H     -2.379546      2.339190      0.845815
 H     -0.775887      2.174595      0.938498
 H     -3.863105     -2.322817     -4.374706
 H     -2.279759     -1.999919     -4.438446
 H      1.378413     -1.311995      1.244088
 H     -0.243554     -1.203906      1.251834
 H     -1.134407      2.256184     -2.409232
 H     -2.085320      2.631315     -1.144326
 H      0.991999      0.809031     -2.521738
 H      0.826355      1.448590     -4.007534
 H      5.343827      1.496861      1.629835
 H      4.951153     -0.027774      1.148367
 H     -4.434031     -4.305653     -3.680362
 H     -5.002061     -4.805015     -5.134569
 H     -2.993470     -3.676128      0.803191
 H     -2.916042     -3.915683     -0.808807
 H      1.858297     -2.167127      4.705974
 H      2.784358     -0.851960      4.054832
 H      1.225290     -1.280841      3.380845
         100
          20
 O      0.726854     -4.232030      2.192516
 O     -0.820538     -4.728005      4.365309
 O      2.636658     -1.569192     -0.124727
 O      3.268348     -4.473819      2.652490
 O     -4.731578      4.840103     -2.052796
 O     -2.392014      0.380172      3.920033
 O     -0.545024     -4.580144     -2.065081
 O      2.282585     -3.405614     -4.360220
 O     -3.521549     -4.336709      2.436698
 O     -3.836046      0.524886     -2.490561
 O      2.660691      2.288789      2.559775
 O      4.035185      2.487785     -3.113302
 O     -1.332022     -0.817591     -0.217131
 O      3.375127     -4.367415     -0.267385
 O      0.731032     -0.616236     -1.883307
 O      4.552229      3.642001      4.323476
 O      1.453545      3.818655     -1.335458
 O      0.760424      1.303237      4.245054
 O     -2.586844      3.111310     -4.879882
 O     -4.121777      3.272879      1.012680
 O      0.441783      3.108449      1.395957
 O      4.101349      0.035815      4.235957
 O     -0.548568     -2.433771     -3.964331
 O     -4.550991     -1.137883     -0.237575
 O     -1.593745      1.767508      0.561098
 O     -3.208587     -1.586289     -4.440481
 O      0.576885     -1.473032      1.786880
 O     -1.839469      2.868636     -2.076322
 O      0.949277      1.666180     -3.035154
 O      4.889088      0.655884      1.871852
 O     -4.788970     -3.999025     -4.597950
 O     -2.939562     -3.222654     -0.058311
 O      1.873316     -1.310335      4.193783
 H      0.188938     -4.319955      3.031097
 H      0.420585     -3.444595      1.706498
 H     -0.857196     -3.870300      4.873633
 H     -1.445572     -5.375496      4.813854
 H      2.733051     -2.570647     -0.102312
 H      3.553034     -1.228788     -0.275242
 H      2.252001     -4.479563      2.547364
 H      3.609165     -5.254533      3.155016
 H     -5.249782      4.023827     -2.250393
 H     -5.215713      5.311311     -1.329552
 H     -2.826493      0.338619      3.045441
 H     -2.716537     -0.385886      4.478149
 H      0.194479     -5.082998     -1.640528
 H     -1.256907     -5.238741     -2.385375
 H      3.144803     -3.817372     -4.091448
 H      1.532688     -3.945569     -3.929685
 H     -4.264086     -3.783052      2.754119
 H     -2.769369     -4.259413      3.107102
 H     -3.587655     -0.026655     -3.272388
 H     -3.112660      1.196428     -2.292764
 H      3.310381      1.572400      2.281089
 H      3.033007      2.779833      3.330553
 H      4.669480      1.838765     -2.747774
 H      3.134388      2.015809     -3.148044
 H     -1.998374     -1.565783     -0.008968
 H     -1.749946      0.033165      0.183012
 H      3.175124     -4.307621      0.749278
 H      2.719414     -5.032990     -0.641626
 H      1.526503     -1.047396     -1.443229
 H     -0.066199     -0.749293     -1.237261
 H      5.508792      3.446335      4.277278
 H      4.203965      3.243980      5.154180
 H      1.353468      3.306876     -0.515485
 H      1.345211      3.225371     -2.142487
 H      1.242037      1.689466      3.432846
 H     -0.241799      1.431165      4.176537
 H     -2.337642      2.162687     -5.173913
 H     -2.410885      3.176313     -3.915544
 H     -4.084868      3.997526      1.698249
 H     -4.838875      3.410670      0.369455
 H      1.293930      2.858498      1.879425
 H      0.228083      4.070174      1.574163
 H      4.505305      0.328909      3.349792
 H      4.842966     -0.148665      4.882417
 H     -0.579649     -3.016077     -3.178257
 H     -0.039698     -1.610586     -3.688352
 H     -4.211892     -0.683261     -1.092415
 H     -3.960550     -1.988490     -0.080161
 H     -2.368045      2.333717      0.889185
 H     -0.780927      2.170940      0.941775
 H     -3.853479     -2.325665     -4.361549
 H     -2.283482     -2.026947     -4.429412
 H      1.378726     -1.310709      1.241870
 H     -0.231282     -1.193020      1.230584
 H     -1.121104      2.276031     -2.398961
 H     -2.086014      2.638832     -1.153911
 H      0.978177      0.805591     -2.534567
 H      0.847093      1.441070     -4.019080
 H      5.340928      1.503018      1.648750
 H      4.951317     -0.032931      1.157556
 H     -4.433257     -4.325799     -3.667234
 H     -4.986258     -4.810027     -5.131272
 H     -3.000283     -3.675768      0.793722
 H     -2.905628     -3.922735     -0.810534
 H      1.852249     -2.157548      4.685573
 H      2.799990     -0.841091      4.054289
 H      1.227988     -1.280270      3.368366
         100
          30
 O      0.723316     -4.226211      2.194671
 O     -0.813591     -4.730444      4.363556
 O      2.628257     -1.568348     -0.121313
 O      3.271603     -4.478963      2.655477
 O     -4.728580      4.834334     -2.056457
 O     -2.391782      0.371989      3.918509
 O     -0.544119     -4.583046     -2.074016
 O      2.283893     -3.413297     -4.355887
 O     -3.524748     -4.334880      2.438405
 O     -3.831618      0.515806     -2.486307
 O      2.659768      2.296696      2.557841
 O      4.036794      2.491262     -3.109626
 O     -1.329909     -0.821315     -0.221883
 O      3.380036     -4.364690     -0.271608
 O      0.725168     -0.612988     -1.885121
 O      4.548463      3.650531      4.320574
 O      1.458353      3.816688     -1.331519
 O      0.756943      1.307969      4.247646
 O     -2.594868      3.114504     -4.878204
 O     -4.121984      3.281066      1.015260
 O      0.437789      3.106267      1.387193
 O      4.102475      0.042591      4.237398
 O     -0.552775     -2.439457     -3.964683
 O     -4.557743     -1.135062     -0.234563
 O     -1.590614      1.768161      0.554508
 O     -3.212862     -1.588423     -4.442895
 O      0.585699     -1.470398      1.782745
 O     -1.839023      2.868046     -2.078540
 O      0.958835      1.668364     -3.041913
 O      4.890986      0.661549      1.868216
 O     -4.794344     -4.000617     -4.599073
 O     -2.941234     -3.224388     -0.052103
 O      1.876888     -1.306138      4.195398
 H      0.193011     -4.326142      3.035950
 H      0.400798     -3.445862      1.728363
 H     -0.837772     -3.883805      4.882953
 H     -1.441769     -5.369766      4.816538
 H      2.762777     -2.567030     -0.115172
 H      3.545266     -1.236679     -0.256554
 H      2.250513     -4.462185      2.517919
 H      3.603666     -5.250296      3.158876
 H     -5.274774      4.042441     -2.252144
 H     -5.212069      5.298086     -1.334934
 H     -2.822340      0.314745      3.057528
 H     -2.727294     -0.382385      4.485202
 H      0.189219     -5.083913     -1.642605
 H     -1.252986     -5.249664     -2.382405
 H      3.143554     -3.819076     -4.091137
 H      1.545697     -3.971616     -3.931087
 H     -4.259930     -3.792735      2.760588
 H     -2.779300     -4.248883      3.113355
 H     -3.582315     -0.020341     -3.271292
 H     -3.133182      1.217775     -2.306026
 H      3.300672      1.575419      2.276194
 H      3.039239      2.767835      3.326017
 H      4.651373      1.832890     -2.746795
 H      3.141200      2.005486     -3.152534
 H     -2.014617     -1.554378      0.001340
 H     -1.752281      0.034441      0.184781
 H      3.187457     -4.315813      0.758481
 H      2.711504     -5.034868     -0.619814
 H      1.513654     -1.046690     -1.434473
 H     -0.074069     -0.770758     -1.228526
 H      5.490985      3.429546      4.262300
 H      4.223258      3.253664      5.156264
 H      1.363534      3.318544     -0.515342
 H      1.338216      3.220822     -2.136632
 H      1.251830      1.699739      3.442819
 H     -0.244556      1.413284      4.171346
 H     -2.339701      2.160224     -5.167243
 H     -2.420739      3.165467     -3.920772
 H     -4.106737      3.997793      1.706291
 H     -4.815628      3.397466      0.361105
 H      1.283404      2.860726      1.888451
 H      0.203093      4.057034      1.590301
 H      4.524128      0.346620      3.355031
 H      4.833173     -0.151114      4.881366
 H     -0.572325     -2.999088     -3.167272
 H     -0.060588     -1.612094     -3.678059
 H     -4.193069     -0.677365     -1.085567
 H     -3.960042     -2.002361     -0.082377
 H     -2.352237      2.324963      0.934424
 H     -0.782595      2.169088      0.946883
 H     -3.844545     -2.330189     -4.349249
 H     -2.290624     -2.053466     -4.417653
 H      1.380257     -1.309224      1.236770
 H     -0.213880     -1.181260      1.209320
 H     -1.104836      2.297275     -2.385506
 H     -2.083867      2.645912     -1.162679
 H      0.962348      0.799549     -2.547162
 H      0.871079      1.434400     -4.029448
 H      5.338604      1.510319      1.666639
 H      4.953699     -0.037916      1.165510
 H     -4.437254     -4.346603     -3.659834
 H     -4.969562     -4.815361     -5.126573
 H     -3.008438     -3.679053      0.787892
 H     -2.894451     -3.924935     -0.806104
 H      1.849264     -2.153504      4.666976
 H      2.816538     -0.830261      4.056557
 H      1.233829     -1.279656      3.357558
         100
          40
 O      0.719626     -4.220991      2.197039
 O     -0.807031     -4.732712      4.361981
 O      2.619694     -1.567877     -0.117811
 O      3.274664     -4.483801      2.657974
 O     -4.725152      4.828614     -2.060156
 O     -2.391261      0.364091      3.917414
 O     -0.544149     -4.585757     -2.083489
 O      2.284438     -3.421636     -4.351022
 O     -3.527242     -4.333172      2.440311
 O     -3.827172      0.507113     -2.481713
 O      2.658798      2.304279      2.555749
 O      4.037500      2.494671     -3.106094
 O     -1.328871     -0.825096     -0.225698
 O      3.384362     -4.361971     -0.274848
 O      0.718922     -0.610225     -1.886474
 O      4.544271      3.659079      4.317286
 O      1.463438      3.815130     -1.328236
 O      0.752937      1.312920      4.250018
 O     -2.602724      3.117124     -4.877046
 O     -4.121655      3.288750      1.018388
 O      0.433933      3.104162      1.378445
 O      4.103725      0.049361      4.238873
 O     -0.557009     -2.444589     -3.965305
 O     -4.563895     -1.132406     -0.231872
 O     -1.588801      1.768939      0.547990
 O     -3.216411     -1.590740     -4.445200
 O      0.593880     -1.467654      1.778762
 O     -1.838982      2.867513     -2.081511
 O      0.968444      1.670878     -3.049138
 O      4.892591      0.667183      1.864963
 O     -4.799128     -4.002001     -4.598977
 O     -2.942740     -3.226271     -0.047262
 O      1.879994     -1.300899      4.195786
 H      0.196793     -4.332646      3.040198
 H      0.380681     -3.442421      1.749260
 H     -0.817379     -3.898261      4.892148
 H     -1.435994     -5.363901      4.816502
 H      2.792256     -2.561015     -0.129473
 H      3.539639     -1.244595     -0.237928
 H      2.253477     -4.445369      2.491167
 H      3.596769     -5.245906      3.162520
 H     -5.300290      4.060054     -2.254970
 H     -5.209913      5.285627     -1.339418
 H     -2.819510      0.290471      3.067341
 H     -2.738491     -0.378433      4.490207
 H      0.184388     -5.086835     -1.644526
 H     -1.242784     -5.257723     -2.375551
 H      3.143273     -3.819705     -4.092298
 H      1.563670     -3.993615     -3.935136
 H     -4.258287     -3.801141      2.768563
 H     -2.792406     -4.239116      3.117166
 H     -3.575161     -0.014985     -3.270198
 H     -3.155457      1.235930     -2.321326
 H      3.289687      1.580995      2.271930
 H      3.047884      2.755496      3.321461
 H      4.636279      1.823872     -2.745788
 H      3.151459      1.998296     -3.156265
 H     -2.025343     -1.540216      0.008185
 H     -1.750046      0.032974      0.183296
 H      3.203681     -4.326312      0.761310
 H      2.704839     -5.034606     -0.598339
 H      1.499264     -1.044957     -1.426088
 H     -0.077156     -0.790542     -1.224382
 H      5.476795      3.410532      4.248181
 H      4.243183      3.261467      5.161608
 H      1.371200      3.326469     -0.511495
 H      1.331746      3.215181     -2.127400
 H      1.258226      1.707846      3.457592
 H     -0.241385      1.394739      4.163821
 H     -2.344022      2.162969     -5.159423
 H     -2.431397      3.153585     -3.923019
 H     -4.129590      3.998721      1.711548
 H     -4.795111      3.387198      0.351314
 H      1.270561      2.864432      1.895300
 H      0.180616      4.042189      1.606408
 H      4.542575      0.362139      3.362777
 H      4.820771     -0.153649      4.877837
 H     -0.564534     -2.985052     -3.152584
 H     -0.082738     -1.616310     -3.667814
 H     -4.176512     -0.673484     -1.073550
 H     -3.964746     -2.010744     -0.087171
 H     -2.333145      2.313006      0.977328
 H     -0.780142      2.169081      0.953284
 H     -3.838089     -2.336665     -4.338655
 H     -2.301299     -2.076277     -4.404223
 H      1.383988     -1.307674      1.228670
 H     -0.192372     -1.169801      1.190355
 H     -1.085993      2.317734     -2.370197
 H     -2.079381      2.651693     -1.168317
 H      0.945879      0.791788     -2.558435
 H      0.896540      1.429627     -4.037340
 H      5.337509      1.518727      1.681489
 H      4.958421     -0.042279      1.171096
 H     -4.446449     -4.365630     -3.660080
 H     -4.953547     -4.821053     -5.121529
 H     -3.017596     -3.686760      0.788249
 H     -2.883408     -3.921640     -0.795371
 H      1.849707     -2.157005      4.652575
 H      2.831811     -0.820772      4.061757
 H      1.243003     -1.279002      3.349920
         100
          50
 O      0.715868     -4.216507      2.199657
 O     -0.800847     -4.734853      4.360568
 O      2.611130     -1.567868     -0.114258
 O      3.277383     -4.488030      2.659772
 O     -4.721312      4.822938     -2.063882
 O     -2.390354      0.356504      3.916995
 O     -0.544996     -4.588235     -2.093420
 O      2.284218     -3.430471     -4.345744
 O     -3.528978     -4.331648      2.442329
 O     -3.822785      0.498925     -2.476757
 O      2.657706      2.311487      2.553392
 O      4.037254      2.497986     -3.102757
 O     -1.328989     -0.828827     -0.228528
 O      3.388059     -4.359305     -0.276973
 O      0.712259     -0.608008     -1.887290
 O      4.539697      3.667529      4.313679
 O      1.468758      3.814052     -1.325715
 O      0.748571      1.318030      4.252199
 O     -2.610383      3.119118     -4.876515
 O     -4.120602      3.295807      1.022184
 O      0.430282      3.102160      1.369772
 O      4.104990      0.056169      4.240179
 O     -0.561266     -2.449193     -3.966099
 O     -4.569272     -1.130043     -0.229548
 O     -1.588234      1.769928      0.541694
 O     -3.219124     -1.593336     -4.447360
 O      0.601337     -1.464794      1.774848
 O     -1.839360      2.867100     -2.085281
 O      0.978088      1.673548     -3.056763
 O      4.893851      0.672694      1.862187
 O     -4.803245     -4.003167     -4.597519
 O     -2.944069     -3.228229     -0.043738
 O      1.882702     -1.294605      4.194912
 H      0.200330     -4.339629      3.044171
 H      0.359971     -3.433441      1.768525
 H     -0.796001     -3.912756      4.901549
 H     -1.428561     -5.358433      4.813923
 H      2.820450     -2.553300     -0.144937
 H      3.536343     -1.251323     -0.219583
 H      2.261215     -4.429557      2.467687
 H      3.588618     -5.242946      3.166896
 H     -5.326221      4.075912     -2.259291
 H     -5.209093      5.274792     -1.342514
 H     -2.818912      0.265775      3.072736
 H     -2.749832     -0.374386      4.493587
 H      0.180136     -5.091368     -1.646209
 H     -1.227504     -5.263544     -2.365422
 H      3.145014     -3.819616     -4.094741
 H      1.585557     -4.011957     -3.941386
 H     -4.260574     -3.807403      2.778327
 H     -2.807815     -4.230280      3.118910
 H     -3.566112     -0.011007     -3.269734
 H     -3.179004      1.251087     -2.338402
 H      3.277729      1.588543      2.267992
 H      3.059389      2.743831      3.318278
 H      4.625008      1.811672     -2.744473
 H      3.164359      1.994535     -3.159404
 H     -2.030472     -1.523937      0.011546
 H     -1.742886      0.028863      0.178359
 H      3.223978     -4.338651      0.757536
 H      2.699690     -5.032016     -0.577687
 H      1.483897     -1.042181     -1.418481
 H     -0.075613     -0.808012     -1.225407
 H      5.466874      3.389405      4.234391
 H      4.263109      3.267410      5.170270
 H      1.376328      3.330093     -0.502998
 H      1.325951      3.208344     -2.114954
 H      1.261122      1.713817      3.476647
 H     -0.233504      1.375823      4.153890
 H     -2.350643      2.170899     -5.150871
 H     -2.442677      3.141097     -3.921205
 H     -4.153416      4.000721      1.714143
 H     -4.778600      3.380055      0.338852
 H      1.255482      2.869522      1.899957
 H      0.160512      4.026024      1.622254
 H      4.560022      0.375142      3.372996
 H      4.807262     -0.156759      4.873458
 H     -0.556600     -2.974387     -3.134718
 H     -0.105615     -1.622199     -3.658083
 H     -4.162697     -0.671612     -1.056368
 H     -3.975011     -2.013044     -0.094401
 H     -2.311230      2.297707      1.017170
 H     -0.773842      2.170195      0.960350
 H     -3.834996     -2.345164     -4.329753
 H     -2.315470     -2.094521     -4.389431
 H      1.390642     -1.306296      1.217663
 H     -0.167197     -1.158912      1.174107
 H     -1.064169      2.336956     -2.353500
 H     -2.072984      2.656058     -1.169709
 H      0.928951      0.783436     -2.568670
 H      0.923062      1.427077     -4.042952
 H      5.338030      1.528513      1.692734
 H      4.965708     -0.045537      1.174314
 H     -4.460794     -4.382073     -3.667983
 H     -4.938371     -4.827181     -5.116793
 H     -3.027771     -3.698824      0.795100
 H     -2.872514     -3.913378     -0.779159
 H      1.853565     -2.167685      4.642297
 H      2.845185     -0.812943      4.069859
 H      1.255690     -1.278016      3.345663
         100
          60
 O      0.712024     -4.212651      2.202462
 O     -0.794960     -4.736892      4.359209
 O      2.602671     -1.568346     -0.110674
 O      3.279753     -4.491458      2.660725
 O     -4.717166      4.817209     -2.067638
 O     -2.389042      0.349240      3.917292
 O     -0.546388     -4.590406     -2.103665
 O      2.283395     -3.439644     -4.340170
 O     -3.530080     -4.330302      2.444380
 O     -3.818512      0.491202     -2.471448
 O      2.656385      2.318366      2.550746
 O      4.036245      2.501120     -3.099561
 O     -1.330167     -0.832458     -0.230416
 O      3.391140     -4.356736     -0.278023
 O      0.705132     -0.606358     -1.887545
 O      4.534839      3.675794      4.309891
 O      1.474315      3.813415     -1.323814
 O      0.744079      1.323206      4.254346
 O     -2.617882      3.120542     -4.876540
 O     -4.118830      3.302215      1.026645
 O      0.426767      3.100226      1.361164
 O      4.106084      0.063106      4.241098
 O     -0.565586     -2.453486     -3.966851
 O     -4.573891     -1.128022     -0.227518
 O     -1.588667      1.771199      0.535765
 O     -3.221076     -1.596325     -4.449337
 O      0.608199     -1.461763      1.770928
 O     -1.840114      2.866794     -2.089869
 O      0.987730      1.676193     -3.064671
 O      4.894747      0.678075      1.859929
 O     -4.806736     -4.004180     -4.594768
 O     -2.945271     -3.230199     -0.041112
 O      1.885113     -1.287528      4.192973
 H      0.203668     -4.347242      3.048153
 H      0.338854     -3.419311      1.786296
 H     -0.773584     -3.926480      4.911490
 H     -1.420104     -5.354082      4.809295
 H      2.846357     -2.544603     -0.161319
 H      3.535173     -1.255780     -0.201587
 H      2.273615     -4.415105      2.447949
 H      3.579413     -5.242805      3.172919
 H     -5.352184      4.089875     -2.265321
 H     -5.209347      5.266112     -1.343968
 H     -2.820771      0.240680      3.072889
 H     -2.761093     -0.370507      4.495763
 H      0.176402     -5.096877     -1.647750
 H     -1.209291     -5.268390     -2.353068
 H      3.149458     -3.818982     -4.098419
 H      1.609282     -4.028038     -3.948759
 H     -4.267181     -3.811448      2.789715
 H     -2.823987     -4.222382      3.119604
 H     -3.555245     -0.008654     -3.270092
 H     -3.203161      1.263784     -2.356799
 H      3.265302      1.597097      2.263783
 H      3.073986      2.733491      3.317246
 H      4.617514      1.797118     -2.742982
 H      3.178349      1.993969     -3.162178
 H     -2.030709     -1.506734      0.011713
 H     -1.730839      0.022684      0.170051
 H      3.248333     -4.352239      0.747769
 H      2.696100     -5.027161     -0.558444
 H      1.468464     -1.038394     -1.411832
 H     -0.070011     -0.822811     -1.231657
 H      5.460589      3.366706      4.220539
 H      4.282692      3.271918      5.181632
 H      1.378985      3.329875     -0.490375
 H      1.320934      3.200089     -2.099863
 H      1.260910      1.718060      3.498793
 H     -0.223173      1.356793      4.141471
 H     -2.359242      2.183103     -5.142234
 H     -2.454577      3.128386     -3.915339
 H     -4.178312      4.004314      1.714397
 H     -4.766097      3.375949      0.323597
 H      1.238803      2.875544      1.902698
 H      0.142438      4.009214      1.637650
 H      4.576032      0.385529      3.385408
 H      4.794408     -0.161081      4.870167
 H     -0.548789     -2.966925     -3.115204
 H     -0.128494     -1.628343     -3.649203
 H     -4.151751     -0.671243     -1.034775
 H     -3.990836     -2.009366     -0.103607
 H     -2.287455      2.279384      1.053639
 H     -0.764551      2.171503      0.967021
 H     -3.835493     -2.355082     -4.322545
 H     -2.332416     -2.107849     -4.373638
 H      1.400178     -1.305513      1.204422
 H     -0.139286     -1.148618      1.160725
 H     -1.039586      2.354976     -2.335674
 H     -2.064884      2.659055     -1.166612
 H      0.911819      0.775800     -2.578235
 H      0.950283      1.426923     -4.046578
 H      5.340176      1.539367      1.700086
 H      4.975666     -0.047216      1.175266
 H     -4.479695     -4.395532     -3.682506
 H     -4.924238     -4.833635     -5.112970
 H     -3.038869     -3.714095      0.806788
 H     -2.861647     -3.901721     -0.759467
 H      1.860848     -2.183683      4.635255
 H      2.856072     -0.806924      4.080565
 H      1.271681     -1.276551      3.344590
         100
          70
 O      0.708057     -4.209248      2.205337
 O     -0.789290     -4.738810      4.357833
 O      2.594528     -1.569314     -0.107113
 O      3.281839     -4.493973      2.660745
 O     -4.712886      4.811370     -2.071386
 O     -2.387403      0.342309      3.918172
 O     -0.547962     -4.592162     -2.114038
 O      2.282231     -3.448856     -4.334509
 O     -3.530830     -4.329060      2.446379
 O     -3.814387      0.483818     -2.465856
 O      2.654781      2.325024      2.547882
 O      4.034798      2.503967     -3.096426
 O     -1.332196     -0.835915     -0.231489
 O      3.393660     -4.354262     -0.278099
 O      0.697571     -0.605268     -1.887310
 O      4.529897      3.683646      4.306104
 O      1.480052      3.813121     -1.322263
 O      0.739693      1.328353      4.256647
 O     -2.625264      3.121544     -4.876920
 O     -4.116466      3.307945      1.031613
 O      0.423331      3.098368      1.352599
 O      4.106852      0.070240      4.241500
 O     -0.570014     -2.457699     -3.967299
 O     -4.577849     -1.126386     -0.225666
 O     -1.589806      1.772793      0.530318
 O     -3.222460     -1.599825     -4.451098
 O      0.614677     -1.458529      1.766919
 O     -1.841152      2.866480     -2.095173
 O      0.997404      1.678646     -3.072699
 O      4.895324      0.683348      1.858162
 O     -4.809688     -4.005098     -4.590903
 O     -2.946426     -3.232105     -0.038751
 O      1.887356     -1.280026      4.190262
 H      0.206695     -4.355503      3.052369
 H      0.318149     -3.401513      1.803131
 H     -0.750177     -3.938892      4.922256
 H     -1.411349     -5.351622      4.803173
 H      2.868963     -2.535611     -0.178366
 H      3.535472     -1.257320     -0.183930
 H      2.289929     -4.402418      2.432283
 H      3.569159     -5.246094      3.180994
 H     -5.377306      4.102290     -2.273138
 H     -5.210112      5.259729     -1.343978
 H     -2.824662      0.215416      3.068322
 H     -2.772100     -0.367192      4.497168
 H      0.173087     -5.102588     -1.649344
 H     -1.190846     -5.274105     -2.339727
 H      3.157004     -3.817830     -4.103391
 H      1.632043     -4.043741     -3.955931
 H     -4.277605     -3.813835      2.802106
 H     -2.839156     -4.215349      3.120470
 H     -3.542871     -0.007958     -3.271094
 H     -3.227185      1.274735     -2.376121
 H      3.253142      1.605557      2.258746
 H      3.091426      2.724707      3.318405
 H      4.613280      1.781566     -2.741742
 H      3.191506      1.996066     -3.164875
 H     -2.027437     -1.490347      0.009237
 H     -1.714432      0.015525      0.158854
 H      3.276465     -4.366596      0.733406
 H      2.693902     -5.020262     -0.541231
 H      1.453963     -1.033769     -1.406150
 H     -0.061672     -0.834694     -1.242615
 H      5.456464      3.343168      4.206435
 H      4.301628      3.275656      5.194516
 H      1.379323      3.326930     -0.475277
 H      1.316794      3.190180     -2.082919
 H      1.258537      1.721293      3.522314
 H     -0.213033      1.337880      4.126361
 H     -2.369281      2.197979     -5.134318
 H     -2.467221      3.115828     -3.906217
 H     -4.204195      4.009796      1.712674
 H     -4.756648      3.374732      0.306546
 H      1.221417      2.881868      1.903914
 H      0.126157      3.992432      1.652475
 H      4.590236      0.393298      3.399451
 H      4.783829     -0.167194      4.869633
 H     -0.541423     -2.962254     -3.096005
 H     -0.150722     -1.633386     -3.641381
 H     -4.143492     -0.671610     -1.010005
 H     -4.011631     -2.000437     -0.114323
 H     -2.263010      2.258406      1.086661
 H     -0.753481      2.172190      0.972198
 H     -3.839323     -2.365560     -4.317163
 H     -2.350964     -2.116176     -4.357166
 H      1.411963     -1.305792      1.189924
 H     -0.110047     -1.138832      1.150049
 H     -1.013187      2.372301     -2.316856
 H     -2.055198      2.660973     -1.159749
 H      0.894887      0.770173     -2.587563
 H      0.977762      1.429205     -4.048874
 H      5.343720      1.550607      1.703434
 H      4.988310     -0.046704      1.174338
 H     -4.502282     -4.405895     -3.701758
 H     -4.911275     -4.840072     -5.110449
 H     -3.050651     -3.730880      0.820836
 H     -2.850556     -3.889069     -0.739075
 H      1.871498     -2.202254      4.630269
 H      2.864058     -0.802614      4.093396
 H      1.290530     -1.274389      3.346073
         100
          80
 O      0.703848     -4.206046      2.208134
 O     -0.783732     -4.740553      4.356393
 O      2.586932     -1.570721     -0.103606
 O      3.283816     -4.495581      2.659864
 O     -4.708705      4.805346     -2.075052
 O     -2.385573      0.335692      3.919361
 O     -0.549343     -4.593348     -2.124364
 O      2.281097     -3.457831     -4.328940
 O     -3.531618     -4.327795      2.448279
 O     -3.810456      0.476723     -2.460110
 O      2.652905      2.331621      2.544978
 O      4.033264      2.506444     -3.093274
 O     -1.334746     -0.839109     -0.231929
 O      3.395699     -4.351884     -0.277408
 O      0.689700     -0.604693     -1.886729
 O      4.525125      3.690872      4.302498
 O      1.485912      3.813011     -1.320705
 O      0.735577      1.333354      4.259392
 O     -2.632574      3.122367     -4.877357
 O     -4.113734      3.312988      1.036832
 O      0.419905      3.096580      1.344043
 O      4.107193      0.077578      4.241381
 O     -0.574569     -2.462027     -3.967196
 O     -4.581293     -1.125111     -0.223860
 O     -1.591330      1.774729      0.525448
 O     -3.223543     -1.603933     -4.452584
 O      0.621059     -1.455094      1.762740
 O     -1.842314      2.866010     -2.100986
 O      1.007094      1.680774     -3.080635
 O      4.895648      0.688541      1.856829
 O     -4.812213     -4.005926     -4.586246
 O     -2.947619     -3.233812     -0.035940
 O      1.889565     -1.272513      4.187141
 H      0.209424     -4.364414      3.056942
 H      0.298835     -3.382021      1.819937
 H     -0.725878     -3.949775      4.933928
 H     -1.403057     -5.351799      4.796183
 H      2.887499     -2.527078     -0.195842
 H      3.536097     -1.255534     -0.166556
 H      2.308898     -4.391632      2.420716
 H      3.557488     -5.252483      3.190911
 H     -5.400538      4.113714     -2.282579
 H     -5.210641      5.255482     -1.343088
 H     -2.829515      0.190331      3.060718
 H     -2.782691     -0.364794      4.498238
 H      0.169989     -5.107539     -1.651253
 H     -1.175066     -5.282803     -2.326595
 H      3.167597     -3.816007     -4.109802
 H      1.651297     -4.061337     -3.961511
 H     -4.290560     -3.815582      2.814597
 H     -2.851632     -4.209076      3.122773
 H     -3.529412     -0.008776     -3.272126
 H     -3.250344      1.284672     -2.395869
 H      3.241926      1.612825      2.252295
 H      3.111069      2.717278      3.321031
 H      4.611504      1.766641     -2.741328
 H      3.201726      2.000047     -3.167722
 H     -2.022746     -1.476944      0.004955
 H     -1.694550      0.008981      0.145583
 H      3.307988     -4.381290      0.716754
 H      2.692718     -5.011751     -0.526641
 H      1.441316     -1.028475     -1.401469
 H     -0.052481     -0.843763     -1.257183
 H      5.452606      3.319859      4.191973
 H      4.319777      3.279304      5.207596
 H      1.377667      3.322805     -0.459886
 H      1.313602      3.178361     -2.064970
 H      1.255337      1.724523      3.544961
 H     -0.205783      1.319060      4.108369
 H     -2.380035      2.213133     -5.128111
 H     -2.480802      3.103779     -3.895283
 H     -4.230933      4.017334      1.709203
 H     -4.748616      3.376132      0.289359
 H      1.204493      2.887899      1.904253
 H      0.111220      3.976392      1.666504
 H      4.602532      0.398568      3.414294
 H      4.776434     -0.175452      4.872877
 H     -0.534815     -2.959923     -3.079130
 H     -0.171733     -1.636078     -3.634771
 H     -4.137382     -0.671641     -0.983820
 H     -4.036422     -1.987669     -0.125925
 H     -2.239174      2.235399      1.116523
 H     -0.741798      2.171503      0.974787
 H     -3.845893     -2.375402     -4.313805
 H     -2.369518     -2.119907     -4.340208
 H      1.425056     -1.307666      1.175392
 H     -0.081157     -1.129227      1.141536
 H     -0.986361      2.389584     -2.297264
 H     -2.043882      2.662208     -1.150507
 H      0.878492      0.767630     -2.597144
 H      1.005057      1.433826     -4.050751
 H      5.348246      1.561356      1.702818
 H      5.003519     -0.043450      1.172013
 H     -4.527267     -4.413550     -3.722775
 H     -4.899611     -4.845828     -5.109539
 H     -3.062749     -3.747328      0.834568
 H     -2.838753     -3.878391     -0.721340
 H      1.885277     -2.220658      4.626204
 H      2.868877     -0.799834      4.107787
 H      1.311483     -1.271336      3.349047
         100
          90
 O      0.699287     -4.202813      2.210720
 O     -0.778210     -4.742045      4.354852
 O      2.580120     -1.572508     -0.100200
 O      3.285987     -4.496420      2.658212
 O     -4.704861      4.799077     -2.078561
 O     -2.383732      0.329347      3.920518
 O     -0.550215     -4.593873     -2.134485
 O      2.280305     -3.466308     -4.323616
 O     -3.532802     -4.326365      2.450077
 O     -3.806727      0.469823     -2.454376
 O      2.650816      2.338314      2.542236
 O      4.031980      2.508452     -3.090031
 O     -1.337416     -0.842010     -0.231982
 O      3.397386     -4.349548     -0.276271
 O      0.681719     -0.604551     -1.886009
 O      4.520766      3.697253      4.299277
 O      1.491853      3.812925     -1.318793
 O      0.731790      1.338080      4.262843
 O     -2.639890      3.123322     -4.877531
 O     -4.110875      3.317370      1.042048
 O      0.416400      3.094873      1.335457
 O      4.107113      0.085074      4.240890
 O     -0.579241     -2.466619     -3.966319
 O     -4.584499     -1.124102     -0.221915
 O     -1.592936      1.777001      0.521165
 O     -3.224670     -1.608688     -4.453770
 O      0.627646     -1.451464      1.758344
 O     -1.843412      2.865247     -2.107081
 O      1.016771      1.682498     -3.088292
 O      4.895813      0.693717      1.855850
 O     -4.814485     -4.006612     -4.581246
 O     -2.948968     -3.235164     -0.032016
 O      1.891929     -1.265367      4.184000
 H      0.211880     -4.373966      3.061843
 H      0.281942     -3.362870      1.837597
 H     -0.700843     -3.959244      4.946389
 H     -1.395847     -5.355144      4.788934
 H      2.901411     -2.519615     -0.213588
 H      3.535805     -1.250172     -0.149344
 H      2.328749     -4.382755      2.412968
 H      3.543918     -5.260941      3.201980
 H     -5.420833      4.124770     -2.293387
 H     -5.210162      5.253060     -1.341975
 H     -2.833980      0.165922      3.052457
 H     -2.792690     -0.363518      4.499346
 H      0.167036     -5.110889     -1.653729
 H     -1.164191     -5.295992     -2.314548
 H      3.180511     -3.813258     -4.117850
 H      1.664915     -4.082691     -3.964415
 H     -4.304382     -3.817846      2.826127
 H     -2.860042     -4.203428      3.127540
 H     -3.515374     -0.010863     -3.272426
 H     -3.272116      1.294237     -2.415595
 H      3.232117      1.618016      2.243933
 H      3.131995      2.710749      3.323942
 H      4.611269      1.753935     -2.742328
 H      3.207096      2.005037     -3.170957
 H     -2.019012     -1.468709     -0.000131
 H     -1.672265      0.004828      0.131152
 H      3.342524     -4.395917      0.700736
 H      2.691963     -5.002180     -0.515144
 H      1.431350     -1.022690     -1.397714
 H     -0.044877     -0.850493     -1.273660
 H      5.447288      3.297815      4.177122
 H      4.336933      3.283479      5.219599
 H      1.374352      3.319085     -0.446266
 H      1.311399      3.164442     -2.046833
 H      1.252852      1.728801      3.564457
 H     -0.203213      1.300207      4.087389
 H     -2.390657      2.225834     -5.124603
 H     -2.495499      3.092622     -3.884271
 H     -4.258447      4.027026      1.704237
 H     -4.740234      3.379762      0.273927
 H      1.189271      2.892960      1.904416
 H      0.097228      3.961809      1.679567
 H      4.613101      0.401657      3.428955
 H      4.772031     -0.185772      4.879913
 H     -0.529204     -2.959548     -3.066231
 H     -0.191160     -1.635677     -3.629561
 H     -4.132524     -0.670027     -0.958329
 H     -4.063788     -1.973246     -0.137688
 H     -2.217346      2.211163      1.143796
 H     -0.730516      2.168921      0.973841
 H     -3.854545     -2.383469     -4.312688
 H     -2.386189     -2.119955     -4.322821
 H      1.438500     -1.311664      1.162066
 H     -0.054306     -1.119367      1.134360
 H     -0.960705      2.407529     -2.277178
 H     -2.031013      2.663232     -1.140578
 H      0.863023      0.768929     -2.607311
 H      1.031775      1.440546     -4.053111
 H      5.353201      1.570671      1.698436
 H      5.021111     -0.037032      1.168835
 H     -4.553105     -4.419522     -3.741750
 H     -4.889326     -4.850205     -5.110464
 H     -3.074804     -3.761805      0.845681
 H     -2.825686     -3.872473     -0.709347
 H      1.901878     -2.236518      4.622125
 H      2.870310     -0.798265      4.123052
 H      1.333439     -1.267330      3.351999
         100
         100
 O      0.694288     -4.199343      2.213037
 O     -0.772678     -4.743207      4.353234
 O      2.574272     -1.574618     -0.096936
 O      3.288682     -4.496695      2.655990
 O     -4.701576      4.792558     -2.081834
 O     -2.382041      0.323227      3.921338
 O     -0.550453     -4.593796     -2.144324
 O      2.280079     -3.474179     -4.318609
 O     -3.534645     -4.324642      2.451838
 O     -3.803158      0.463032     -2.448773
 O      2.648632      2.345220      2.539861
 O      4.031223      2.509920     -3.086627
 O     -1.339822     -0.844653     -0.231900
 O      3.398833     -4.347198     -0.275048
 O      0.673916     -0.604729     -1.885412
 O      4.517007      3.702594      4.296583
 O      1.497810      3.812703     -1.316284
 O      0.728212      1.342454      4.267197
 O     -2.647275      3.124648     -4.877137
 O     -4.108097      3.321173      1.047072
 O      0.412747      3.093269      1.326804
 O      4.106729      0.092634      4.240309
 O     -0.584022     -2.471531     -3.964513
 O     -4.587817     -1.123158     -0.219666
 O     -1.594375      1.779564      0.517431
 O     -3.226169     -1.614071     -4.454656
 O      0.634713     -1.447678      1.753724
 O     -1.844270      2.864043     -2.113202
 O      1.026431      1.683797     -3.095490
 O      4.895918      0.698946      1.855121
 O     -4.816686     -4.007076     -4.576436
 O     -2.950562     -3.236114     -0.026622
 O      1.894639     -1.258857      4.181226
 H      0.214024     -4.384044      3.067006
 H      0.268412     -3.345845      1.856734
 H     -0.675292     -3.967846      4.959275
 H     -1.390030     -5.361844      4.781770
 H      2.910296     -2.513617     -0.231424
 H      3.533443     -1.241377     -0.132199
 H      2.347233     -4.375620      2.408549
 H      3.527884     -5.269854      3.213113
 H     -5.437267      4.135974     -2.305292
 H     -5.207955      5.251945     -1.341441
 H     -2.836794      0.142762      3.045692
 H     -2.801925     -0.363513      4.500769
 H      0.164255     -5.111943     -1.656945
 H     -1.159269     -5.314109     -2.304040
 H      3.194744     -3.809250     -4.127813
 H      1.672162     -4.108625     -3.964293
 H     -4.317535     -3.821658      2.835742
 H     -2.863840     -4.198301      3.135123
 H     -3.501284     -0.013971     -3.271168
 H     -3.292222      1.303816     -2.434935
 H      3.223855      1.620761      2.233380
 H      3.153071      2.704604      3.325734
 H      4.611732      1.744673     -2.745143
 H      3.206321      2.010416     -3.174722
 H     -2.018378     -1.467331     -0.005118
 H     -1.648859      0.005123      0.116661
 H      3.379647     -4.410346      0.688661
 H      2.690989     -4.992163     -0.507096
 H      1.424636     -1.016510     -1.394839
 H     -0.041725     -0.855634     -1.289884
 H      5.439056      3.277967      4.161934
 H      4.352892      3.288814      5.229359
 H      1.369726      3.317051     -0.436013
 H      1.310269      3.148521     -2.029120
 H      1.252522      1.735109      3.578934
 H     -0.205633      1.281159      4.063472
 H     -2.400336      2.233680     -5.124607
 H     -2.511397      3.082612     -3.874768
 H     -4.286422      4.038492      1.697813
 H     -4.730059      3.385286      0.261799
 H      1.176748      2.896468      1.904880
 H      0.083885      3.949040      1.691409
 H      4.622268      0.402895      3.442412
 H      4.769605     -0.197732      4.889716
 H     -0.524817     -2.960805     -3.058527
 H     -0.208952     -1.632055     -3.626018
 H     -4.127884     -0.665415     -0.935624
 H     -4.091739     -1.960315     -0.148922
 H     -2.198671      2.186306      1.169229
 H     -0.720392      2.164234      0.968773
 H     -3.864484     -2.388916     -4.313968
 H     -2.398933     -2.117405     -4.304977
 H      1.451470     -1.318177      1.150841
 H     -0.031166     -1.108781      1.127625
 H     -0.937765      2.426726     -2.256996
 H     -2.016740      2.664475     -1.131703
 H      0.848848      0.774417     -2.618307
 H      1.057529      1.449050     -4.056934
 H      5.358108      1.577781      1.690608
 H      5.040785     -0.027214      1.165307
 H     -4.578209     -4.425273     -3.754230
 H     -4.880445     -4.852484     -5.113266
 H     -3.086477     -3.773160      0.852632
 H     -2.810894     -3.872870     -0.704790
 H      1.920781     -2.248133      4.617439
 H      2.868369     -0.797510      4.138471
 H      1.355158     -1.262264      3.353029
         100
         110
 O      0.688771     -4.195508      2.215041
 O     -0.767129     -4.744006      4.351608
 O      2.569529     -1.576968     -0.093840
 O      3.292245     -4.496640      2.653403
 O     -4.698988      4.785795     -2.084822
 O     -2.380649      0.317264      3.921598
 O     -0.550132     -4.593325     -2.153886
 O      2.280438     -3.481515     -4.313857
 O     -3.537246     -4.322537      2.453710
 O     -3.799708      0.456350     -2.443448
 O      2.646513      2.352364      2.538009
 O      4.031096      2.510782     -3.083062
 O     -1.341703     -0.847155     -0.231842
 O      3.400140     -4.344739     -0.274054
 O      0.666573     -0.605100     -1.885194
 O      4.513963      3.706772      4.294519
 O      1.503717      3.812205     -1.313048
 O      0.724605      1.346437      4.272504
 O     -2.654773      3.126496     -4.875993
 O     -4.105576      3.324500      1.051789
 O      0.408916      3.091809      1.318114
 O      4.106188      0.100130      4.239986
 O     -0.588857     -2.476708     -3.961668
 O     -4.591611     -1.121957     -0.216992
 O     -1.595488      1.782366      0.514209
 O     -3.228343     -1.620010     -4.455243
 O      0.642466     -1.443749      1.748920
 O     -1.844723      2.862312     -2.119097
 O      1.036088      1.684701     -3.102098
 O      4.896043      0.704284      1.854543
 O     -4.818965     -4.007202     -4.572287
 O     -2.952435     -3.236794     -0.019731
 O      1.897853     -1.253227      4.179199
 H      0.215939     -4.394502      3.072160
 H      0.258758     -3.332108      1.877624
 H     -0.649611     -3.976278      4.972097
 H     -1.385492     -5.371616      4.774805
 H      2.914010     -2.509362     -0.249203
 H      3.528046     -1.229393     -0.115087
 H      2.362049     -4.369866      2.406742
 H      3.509037     -5.277580      3.223190
 H     -5.449240      4.147559     -2.318011
 H     -5.203530      5.251743     -1.342061
 H     -2.837002      0.121325      3.042035
 H     -2.810177     -0.364765      4.502600
 H      0.161788     -5.110136     -1.660977
 H     -1.159785     -5.335945     -2.295010
 H      3.209311     -3.803851     -4.139771
 H      1.674129     -4.138462     -3.961689
 H     -4.328831     -3.827677      2.842826
 H     -2.863441     -4.193780      3.144939
 H     -3.487614     -0.017970     -3.267638
 H     -3.310631      1.313369     -2.453551
 H      3.216820      1.621261      2.220649
 H      3.173296      2.698418      3.325221
 H      4.612276      1.739596     -2.749967
 H      3.199160      2.015995     -3.179049
 H     -2.022029     -1.473426     -0.009383
 H     -1.625473      0.011334      0.103002
 H      3.419114     -4.424637      0.683130
 H      2.689160     -4.982253     -0.502619
 H      1.421264     -1.009945     -1.392862
 H     -0.045609     -0.860076     -1.303792
 H      5.427111      3.261102      4.146431
 H      4.367398      3.295595      5.236153
 H      1.364101      3.317638     -0.430004
 H      1.310388      3.130969     -2.012163
 H      1.255059      1.743832      3.587479
 H     -0.211738      1.261803      4.037080
 H     -2.408598      2.235332     -5.128607
 H     -2.528472      3.074007     -3.868081
 H     -4.314452      4.051079      1.689704
 H     -4.717187      3.392336      0.253909
 H      1.167544      2.898076      1.905893
 H      0.070944      3.938243      1.701720
 H      4.630557      0.402684      3.453639
 H      4.767563     -0.210531      4.900728
 H     -0.521764     -2.963606     -3.056521
 H     -0.225235     -1.625669     -3.624423
 H     -4.122630     -0.656761     -0.917186
 H     -4.118196     -1.952397     -0.159026
 H     -2.183932      2.161318      1.193424
 H     -0.711914      2.157448      0.959192
 H     -3.875066     -2.391216     -4.317747
 H     -2.406074     -2.113351     -4.286499
 H      1.463391     -1.327447      1.142393
 H     -0.012933     -1.097087      1.120619
 H     -0.918807      2.447546     -2.237298
 H     -2.001387      2.666284     -1.125246
 H      0.836233      0.784000     -2.630237
 H      1.081933      1.459086     -4.062884
 H      5.362498      1.582194      1.679736
 H      5.062146     -0.014104      1.161785
 H     -4.601354     -4.432247     -3.756432
 H     -4.872979     -4.852000     -5.117917
 H     -3.097515     -3.780710      0.854668
 H     -2.794265     -3.879072     -0.707132
 H      1.941330     -2.254524      4.611846
 H      2.863224     -0.797148      4.153422
 H      1.375429     -1.256191      3.350312
         100
         120
 O      0.682727     -4.191280      2.216773
 O     -0.761572     -4.744433      4.350059
 O      2.565981     -1.579506     -0.090936
 O      3.296919     -4.496475      2.650645
 O     -4.697166      4.778830     -2.087483
 O     -2.379633      0.311395      3.921197
 O     -0.549484     -4.592790     -2.163187
 O      2.281250     -3.488550     -4.309225
 O     -3.540562     -4.319988      2.455880
 O     -3.796314      0.449838     -2.438491
 O      2.644633      2.359665      2.536744
 O      4.031527      2.510971     -3.079368
 O     -1.343010     -0.849674     -0.231901
 O      3.401408     -4.342109     -0.273428
 O      0.659931     -0.605577     -1.885512
 O      4.511689      3.709692      4.293140
 O      1.509528      3.811296     -1.309071
 O      0.720724      1.350059      4.278583
 O     -2.662393      3.128817     -4.874007
 O     -4.103424      3.327478      1.056192
 O      0.404928      3.090529      1.309467
 O      4.105657      0.107414      4.240265
 O     -0.593710     -2.482020     -3.957780
 O     -4.596100     -1.120175     -0.213874
 O     -1.596202      1.785366      0.511448
 O     -3.231346     -1.626423     -4.455562
 O      0.650976     -1.439711      1.743948
 O     -1.844632      2.860019     -2.124555
 O      1.045740      1.685293     -3.108069
 O      4.896284      0.709789      1.854037
 O     -4.821386     -4.006964     -4.569027
 O     -2.954545     -3.237494     -0.011659
 O      1.901671     -1.248627      4.178156
 H      0.217673     -4.405180      3.077057
 H      0.253210     -3.322124      1.900253
 H     -0.624161     -3.985262      4.984310
 H     -1.381688     -5.383764      4.767906
 H      2.912605     -2.506946     -0.266742
 H      3.518969     -1.214623     -0.097988
 H      2.371287     -4.365106      2.406871
 H      3.487282     -5.282799      3.231305
 H     -5.456558      4.159408     -2.331280
 H     -5.196646      5.252147     -1.344217
 H     -2.834050      0.101956      3.042360
 H     -2.817182     -0.367124      4.504920
 H      0.159940     -5.105251     -1.665811
 H     -1.164101     -5.359088     -2.287154
 H      3.223147     -3.797110     -4.153664
 H      1.673028     -4.170145     -3.957834
 H     -4.337604     -3.836159      2.847043
 H     -2.860063     -4.190015      3.155810
 H     -3.474726     -0.022819     -3.261428
 H     -3.327537      1.322443     -2.471092
 H      3.210340      1.620265      2.206029
 H      3.191880      2.691981      3.321612
 H      4.612486      1.738924     -2.756807
 H      3.186520      2.022095     -3.183723
 H     -2.029672     -1.486078     -0.012788
 H     -1.602937      0.023866      0.090664
 H      3.460654     -4.438870      0.685081
 H      2.686062     -4.972860     -0.501583
 H      1.420944     -1.002916     -1.391843
 H     -0.058138     -0.864563     -1.313947
 H      5.411211      3.247625      4.130579
 H      4.380183      3.303967      5.239617
 H      1.357761      3.321375     -0.428316
 H      1.311965      3.112362     -1.996017
 H      1.260272      1.754656      3.590593
 H     -0.219167      1.242203      4.008972
 H     -2.415464      2.231107     -5.136447
 H     -2.546598      3.066946     -3.864912
 H     -4.341997      4.064062      1.679788
 H     -4.701191      3.400487      0.250483
 H      1.161669      2.897662      1.907245
 H      0.058354      3.929240      1.710080
 H      4.638456      0.401379      3.461825
 H      4.764313     -0.223233      4.911201
 H     -0.520045     -2.967966     -3.060096
 H     -0.240351     -1.617530     -3.625099
 H     -4.116359     -0.643740     -0.903649
 H     -4.141378     -1.952585     -0.167660
 H     -2.173375      2.136431      1.216605
 H     -0.705309      2.148752      0.945097
 H     -3.885819     -2.390330     -4.324026
 H     -2.406770     -2.108666     -4.267272
 H      1.473939     -1.339616      1.137011
 H     -0.000098     -1.084146      1.113007
 H     -0.904610      2.470038     -2.218801
 H     -1.985440      2.668871     -1.122166
 H      0.825369      0.797046     -2.642989
 H      1.104671      1.470363     -4.071303
 H      5.366033      1.583781      1.666321
 H      5.084772      0.001984      1.158542
 H     -4.622029     -4.441131     -3.746704
 H     -4.866850     -4.848290     -5.124281
 H     -3.107752     -3.784340      0.851801
 H     -2.776176     -3.888879     -0.713963
 H      1.962895     -2.255114      4.605172
 H      2.855340     -0.796606      4.167347
 H      1.393343     -1.249191      3.342457
         100
         130
 O      0.676173     -4.186695      2.218286
 O     -0.756102     -4.744550      4.348707
 O      2.563615     -1.582163     -0.088242
 O      3.302796     -4.496329      2.647820
 O     -4.696087      4.771728     -2.089814
 O     -2.379042      0.305572      3.920126
 O     -0.548771     -4.592555     -2.172289
 O      2.282306     -3.495527     -4.304618
 O     -3.544407     -4.316975      2.458533
 O     -3.792885      0.443573     -2.433937
 O      2.643157      2.367006      2.536063
 O      4.032330      2.510446     -3.075601
 O     -1.343877     -0.852369     -0.232041
 O      3.402697     -4.339265     -0.273084
 O      0.654041     -0.606140     -1.886387
 O      4.510163      3.711348      4.292451
 O      1.515192      3.809884     -1.304456
 O      0.716388      1.353421      4.285100
 O     -2.670068      3.131371     -4.871256
 O     -4.101694      3.330258      1.060340
 O      0.400854      3.089471      1.300982
 O      4.105275      0.114382      4.241414
 O     -0.598549     -2.487281     -3.952902
 O     -4.601362     -1.117557     -0.210377
 O     -1.596545      1.788522      0.509113
 O     -3.235180     -1.633223     -4.455622
 O      0.660216     -1.435532      1.738797
 O     -1.843920      2.857177     -2.129424
 O      1.055440      1.685718     -3.113433
 O      4.896691      0.715491      1.853518
 O     -4.823934     -4.006446     -4.566556
 O     -2.956804     -3.238529     -0.002915
 O      1.906045     -1.245138      4.178167
 H      0.219271     -4.415923      3.081432
 H      0.251622     -3.315813      1.924346
 H     -0.599409     -3.995468      4.995462
 H     -1.377899     -5.397371      4.760801
 H      2.906377     -2.506289     -0.283918
 H      3.506049     -1.197596     -0.080967
 H      2.374037     -4.360914      2.408421
 H      3.462818     -5.284652      3.236878
 H     -5.459437      4.171156     -2.344939
 H     -5.187356      5.252923     -1.348090
 H     -2.827823      0.084852      3.046698
 H     -2.822653     -0.370385      4.507653
 H      0.159011     -5.097223     -1.671329
 H     -1.170249     -5.380858     -2.280189
 H      3.235398     -3.789115     -4.169494
 H      1.671548     -4.201100     -3.954119
 H     -4.343707     -3.846961      2.848456
 H     -2.855218     -4.187183      3.166196
 H     -3.462857     -0.028624     -3.252402
 H     -3.343282      1.330383     -2.487289
 H      3.203552      1.618798      2.189934
 H      3.208273      2.685241      3.314531
 H      4.612183      1.742348     -2.765486
 H      3.170128      2.029422     -3.188422
 H     -2.039836     -1.503165     -0.015554
 H     -1.581698      0.041839      0.079631
 H      3.503777     -4.453117      0.693354
 H      2.681606     -4.964168     -0.503588
 H      1.423013     -0.995315     -1.391869
 H     -0.079149     -0.869360     -1.320145
 H      5.391724      3.237623      4.114320
 H      4.391034      3.313943      5.239718
 H      1.350880      3.328351     -0.430343
 H      1.315261      3.093555     -1.980658
 H      1.267093      1.766590      3.589855
 H     -0.225214      1.222568      3.980206
 H     -2.421349      2.222817     -5.147506
 H     -2.565556      3.061441     -3.865513
 H     -4.368420      4.076539      1.667931
 H     -4.682304      3.409388      0.250996
 H      1.158616      2.895271      1.908354
 H      0.046136      3.921697      1.716141
 H      4.646337      0.399188      3.466588
 H      4.758597     -0.234983      4.919668
 H     -0.519599     -2.974026     -3.068462
 H     -0.254581     -1.608874     -3.628272
 H     -4.109324     -0.626844     -0.894480
 H     -4.160396     -1.962329     -0.174767
 H     -2.166731      2.111614      1.238640
 H     -0.700574      2.138552      0.926724
 H     -3.896399     -2.386575     -4.332701
 H     -2.401186     -2.103691     -4.247303
 H      1.483120     -1.354628      1.134558
 H      0.007626     -1.070170      1.105076
 H     -0.895343      2.493978     -2.202187
 H     -1.969532      2.672378     -1.122887
 H      0.816252      0.812505     -2.656282
 H      1.125353      1.482702     -4.081992
 H      5.368502      1.582763      1.650912
 H      5.108210      0.020360      1.155684
 H     -4.640520     -4.451416     -3.726104
 H     -4.861958     -4.841100     -5.132062
 H     -3.117095     -3.784391      0.844774
 H     -2.757302     -3.899251     -0.721957
 H      1.984730     -2.249949      4.597387
 H      2.845454     -0.795305      4.179806
 H      1.408708     -1.241351      3.329132
         100
         140
 O      0.669200     -4.181873      2.219665
 O     -0.750762     -4.744435      4.347623
 O      2.562364     -1.584912     -0.085769
 O      3.309767     -4.496274      2.644954
 O     -4.695643      4.764575     -2.091843
 O     -2.378866      0.299770      3.918506
 O     -0.548287     -4.592894     -2.181236
 O      2.283414     -3.502685     -4.299908
 O     -3.548538     -4.313544      2.461799
 O     -3.789383      0.437682     -2.429812
 O      2.642187      2.374226      2.535898
 O      4.033202      2.509209     -3.071865
 O     -1.344533     -0.855312     -0.232142
 O      3.404073     -4.336221     -0.272760
 O      0.648761     -0.606824     -1.887681
 O      4.509260      3.711799      4.292426
 O      1.520664      3.807905     -1.299395
 O      0.711512      1.356642      4.291645
 O     -2.677733      3.133849     -4.867926
 O     -4.100403      3.332964      1.064377
 O      0.396809      3.088671      1.292810
 O      4.105147      0.120975      4.243538
 O     -0.603368     -2.492281     -3.947204
 O     -4.607236     -1.114058     -0.206639
 O     -1.596632      1.791783      0.507221
 O     -3.239686     -1.640338     -4.455424
 O      0.670030     -1.431175      1.733482
 O     -1.842578      2.853844     -2.133589
 O      1.065264      1.686161     -3.118313
 O      4.897301      0.721424      1.852932
 O     -4.826536     -4.005824     -4.564484
 O     -2.959088     -3.240120      0.005920
 O      1.910836     -1.242822      4.179168
 H      0.220743     -4.426534      3.085044
 H      0.253490     -3.312316      1.949379
 H     -0.575757     -4.007293      5.005224
 H     -1.373308     -5.411351      4.753187
 H      2.895826     -2.507243     -0.300542
 H      3.489529     -1.178873     -0.064098
 H      2.370797     -4.356987      2.411159
 H      3.436159     -5.282887      3.239807
 H     -5.458606      4.182128     -2.358905
 H     -5.175955      5.254071     -1.353505
 H     -2.818627      0.069941      3.054275
 H     -2.826335     -0.374293      4.510706
 H      0.159416     -5.086216     -1.677330
 H     -1.176385     -5.398809     -2.273913
 H      3.245532     -3.780221     -4.187017
 H      1.672073     -4.229070     -3.951694
 H     -4.347663     -3.859568      2.847512
 H     -2.850545     -4.185475      3.174647
 H     -3.452114     -0.035641     -3.240749
 H     -3.358170      1.336432     -2.501915
 H      3.195612      1.618016      2.172965
 H      3.222318      2.678412      3.304186
 H      4.611478      1.748949     -2.775577
 H      3.152140      2.038704     -3.192713
 H     -2.050486     -1.522014     -0.018101
 H     -1.561945      0.063201      0.069495
 H      3.547680     -4.467297      0.705166
 H      2.676034     -4.956135     -0.508011
 H      1.426479     -0.986989     -1.393033
 H     -0.106716     -0.874165     -1.323365
 H      5.369574      3.230809      4.097483
 H      4.399759      3.325310      5.236849
 H      1.343468      3.338226     -0.434747
 H      1.320547      3.075416     -1.965911
 H      1.274034      1.778318      3.587386
 H     -0.227520      1.203184      3.951947
 H     -2.426934      2.213162     -5.160795
 H     -2.585044      3.057416     -3.869537
 H     -4.393061      4.087676      1.654135
 H     -4.661120      3.418670      0.254155
 H      1.157549      2.891227      1.908366
 H      0.034440      3.915159      1.719485
 H      4.654301      0.396152      3.467933
 H      4.749719     -0.245137      4.925183
 H     -0.520211     -2.982144     -3.080184
 H     -0.268211     -1.600988     -3.634007
 H     -4.102346     -0.607327     -0.888350
 H     -4.175663     -1.980513     -0.180632
 H     -2.163263      2.086686      1.258975
 H     -0.697520      2.127335      0.904583
 H     -3.906689     -2.380757     -4.343531
 H     -2.390682     -2.098272     -4.226865
 H      1.491151     -1.372311      1.134582
 H      0.011164     -1.055691      1.097560
 H     -0.890597      2.518954     -2.188225
 H     -1.954367      2.676807     -1.127391
 H      0.808785      0.828808     -2.669611
 H      1.143560      1.495958     -4.094265
 H      5.369835      1.579743      1.634100
 H      5.131976      0.040150      1.153172
 H     -4.657487     -4.461570     -3.698008
 H     -4.858149     -4.830472     -5.140908
 H     -3.125669     -3.781724      0.835047
 H     -2.738470     -3.907340     -0.727957
 H      2.006158     -2.239345      4.588604
 H      2.834627     -0.792554      4.190567
 H      1.421793     -1.232883      3.311070
         100
         150
 O      0.661915     -4.177012      2.221014
 O     -0.745619     -4.744195      4.346847
 O      2.562086     -1.587707     -0.083504
 O      3.317533     -4.496291      2.641982
 O     -4.695649      4.757462     -2.093616
 O     -2.379033      0.293987      3.916531
 O     -0.548257     -4.594003     -2.190065
 O      2.284412     -3.510194     -4.295019
 O     -3.552681     -4.309769      2.465730
 O     -3.785777      0.432289     -2.426074
 O      2.641784      2.381149      2.536107
 O      4.033818      2.507394     -3.068268
 O     -1.345223     -0.858490     -0.232089
 O      3.405622     -4.333020     -0.272145
 O      0.643854     -0.607697     -1.889202
 O      4.508822      3.711158      4.292968
 O      1.525934      3.805357     -1.294139
 O      0.706100      1.359851      4.297809
 O     -2.685300      3.135947     -4.864275
 O     -4.099489      3.335700      1.068476
 O      0.392899      3.088129      1.285108
 O      4.105336      0.127192      4.246638
 O     -0.608186     -2.496793     -3.940937
 O     -4.613397     -1.109857     -0.202824
 O     -1.596635      1.795078      0.505760
 O     -3.244559     -1.647666     -4.454961
 O      0.680211     -1.426585      1.728014
 O     -1.840649      2.850115     -2.137004
 O      1.075289      1.686858     -3.122882
 O      4.898146      0.727572      1.852232
 O     -4.829124     -4.005271     -4.562351
 O     -2.961275     -3.242355      0.014293
 O      1.915814     -1.241660      4.180912
 H      0.222062     -4.436848      3.087767
 H      0.257962     -3.310175      1.974665
 H     -0.553567     -4.020960      5.013429
 H     -1.367198     -5.424767      4.744825
 H      2.881621     -2.509502     -0.316430
 H      3.470070     -1.159012     -0.047559
 H      2.363186     -4.353151      2.415057
 H      3.408004     -5.277838      3.240390
 H     -5.455124      4.191406     -2.373187
 H     -5.162997      5.255702     -1.360120
 H     -2.807191      0.056961      3.063553
 H     -2.828004     -0.378612      4.514006
 H      0.161588     -5.072588     -1.683588
 H     -1.181099     -5.411178     -2.268234
 H      3.253349     -3.770925     -4.205863
 H      1.676347     -4.252369     -3.951333
 H     -4.350472     -3.873151      2.844979
 H     -2.847389     -4.184959      3.180029
 H     -3.442406     -0.044201     -3.226996
 H     -3.372447      1.339931     -2.514690
 H      3.185805      1.618933      2.155641
 H      3.234233      2.671805      3.291197
 H      4.610837      1.757327     -2.786536
 H      3.134714      2.050507     -3.196091
 H     -2.059624     -1.540012     -0.020814
 H     -1.543794      0.085270      0.059699
 H      3.591106     -4.481171      0.717094
 H      2.669897     -4.948578     -0.514101
 H      1.430348     -0.977882     -1.395354
 H     -0.137854     -0.878391     -1.325207
 H      5.346271      3.226508      4.079807
 H      4.406242      3.337655      5.231803
 H      1.335467      3.350377     -0.439678
 H      1.328039      3.058743     -1.951671
 H      1.279663      1.788549      3.585402
 H     -0.224491      1.184364      3.925235
 H     -2.432941      2.204874     -5.175136
 H     -2.604751      3.054726     -3.875973
 H     -4.415329      4.096976      1.638698
 H     -4.638628      3.428016      0.258172
 H      1.157475      2.885928      1.906373
 H      0.023386      3.909123      1.719832
 H      4.662142      0.392197      3.466410
 H      4.737616     -0.253386      4.927471
 H     -0.521582     -2.992821     -3.093315
 H     -0.281374     -1.594946     -3.642164
 H     -4.096522     -0.586905     -0.883615
 H     -4.188482     -2.003988     -0.185598
 H     -2.161974      2.061450      1.276764
 H     -0.695620      2.115770      0.879481
 H     -3.916856     -2.373992     -4.356252
 H     -2.377362     -2.092050     -4.206452
 H      1.498510     -1.392422      1.136265
 H      0.011903     -1.041412      1.091400
 H     -0.889269      2.544334     -2.177613
 H     -1.940672      2.682068     -1.135205
 H      0.802657      0.844130     -2.682326
 H      1.158901      1.509992     -4.107146
 H      5.370083      1.575674      1.616435
 H      5.155611      0.060273      1.150880
 H     -4.673710     -4.469826     -3.666654
 H     -4.855287     -4.816649     -5.150472
 H     -3.133719     -3.777734      0.824770
 H     -2.720382     -3.911104     -0.729630
 H      2.026586     -2.223992      4.578923
 H      2.824161     -0.787596      4.199525
 H      1.433393     -1.224016      3.289898
         100
         160
 O      0.654483     -4.172366      2.222425
 O     -0.740730     -4.743948      4.346393
 O      2.562562     -1.590556     -0.081462
 O      3.325720     -4.496297      2.638793
 O     -4.695879      4.750482     -2.095197
 O     -2.379438      0.288273      3.914497
 O     -0.548830     -4.595970     -2.198808
 O      2.285206     -3.518091     -4.289966
 O     -3.556545     -4.305762      2.470283
 O     -3.782076      0.427474     -2.422665
 O      2.641915      2.387618      2.536525
 O      4.033870      2.505157     -3.064935
 O     -1.346096     -0.861828     -0.231770
 O      3.407414     -4.329740     -0.270950
 O      0.639021     -0.608827     -1.890748
 O      4.508596      3.709622      4.293961
 O      1.531015      3.802283     -1.288969
 O      0.700208      1.363146      4.303263
 O     -2.692720      3.137412     -4.860639
 O     -4.098871      3.338524      1.072813
 O      0.389253      3.087858      1.277990
 O      4.105865      0.133073      4.250559
 O     -0.613055     -2.500636     -3.934395
 O     -4.619510     -1.105224     -0.199077
 O     -1.596768      1.798316      0.504716
 O     -3.249446     -1.655104     -4.454196
 O      0.690502     -1.421706      1.722430
 O     -1.838262      2.846118     -2.139680
 O      1.085625      1.688024     -3.127332
 O      4.899239      0.733918      1.851382
 O     -4.831648     -4.004898     -4.559709
 O     -2.963243     -3.245145      0.021709
 O      1.920700     -1.241562      4.183073
 H      0.223171     -4.446752      3.089517
 H      0.264003     -3.307427      1.999522
 H     -0.533121     -4.036377      5.020210
 H     -1.359032     -5.436852      4.735630
 H      2.864609     -2.512701     -0.331406
 H      3.448763     -1.138522     -0.031497
 H      2.353559     -4.349252      2.420130
 H      3.379141     -5.270351      3.239339
 H     -5.450301      4.198034     -2.387822
 H     -5.149201      5.258031     -1.367389
 H     -2.794569      0.045358      3.072374
 H     -2.827534     -0.383163      4.517460
 H      0.165858     -5.056767     -1.689837
 H     -1.183554     -5.416949     -2.263193
 H      3.258836     -3.761701     -4.225794
 H      1.685400     -4.270129     -3.953409
 H     -4.353558     -3.886701      2.841819
 H     -2.846632     -4.185607      3.181771
 H     -3.433577     -0.054729     -3.211803
 H     -3.386146      1.340505     -2.525490
 H      3.173715      1.622245      2.138438
 H      3.244513      2.665932      3.276552
 H      4.610927      1.765693     -2.797749
 H      3.119624      2.065060     -3.198131
 H     -2.065771     -1.555089     -0.023954
 H     -1.527329      0.105445      0.049704
 H      3.632589     -4.494440      0.725951
 H      2.664013     -4.941190     -0.521043
 H      1.433629     -0.968001     -1.398798
 H     -0.169303     -0.881397     -1.327270
 H      5.323656      3.223659      4.060931
 H      4.410459      3.350451      5.225697
 H      1.326604      3.363874     -0.442881
 H      1.337888      3.044174     -1.937934
 H      1.282865      1.796257      3.585578
 H     -0.215381      1.166328      3.900963
 H     -2.439974      2.200189     -5.189441
 H     -2.624337      3.053063     -3.883350
 H     -4.434798      4.104127      1.622196
 H     -4.615955      3.437176      0.260833
 H      1.157473      2.879803      1.901628
 H      0.013166      3.903287      1.717070
 H      4.669369      0.387145      3.462860
 H      4.722793     -0.259714      4.926775
 H     -0.523361     -3.006614     -3.105688
 H     -0.294016     -1.591551     -3.652326
 H     -4.092869     -0.567285     -0.878734
 H     -4.200402     -2.028648     -0.190033
 H     -2.161801      2.035814      1.291261
 H     -0.694162      2.104487      0.852370
 H     -3.927136     -2.367555     -4.370482
 H     -2.363634     -2.084657     -4.186653
 H      1.505829     -1.414637      1.138596
 H      0.011292     -1.028080      1.087525
 H     -0.889713      2.569357     -2.170943
 H     -1.929219      2.688020     -1.145379
 H      0.797465      0.856659     -2.693846
 H      1.171001      1.524666     -4.119540
 H      5.369396      1.571684      1.598497
 H      5.178672      0.079649      1.148688
 H     -4.689628     -4.474682     -3.635915
 H     -4.853187     -4.800236     -5.160430
 H     -3.141627     -3.774055      0.816501
 H     -2.703551     -3.909393     -0.725597
 H      2.045517     -2.205153      4.568652
 H      2.815380     -0.779685      4.206717
 H      1.444325     -1.215043      3.267645
         100
         170
 O      0.647068     -4.168200      2.223973
 O     -0.736108     -4.743801      4.346209
 O      2.563541     -1.593464     -0.079626
 O      3.333928     -4.496164      2.635259
 O     -4.696107      4.743715     -2.096674
 O     -2.379950      0.282669      3.912695
 O     -0.550082     -4.598778     -2.207470
 O      2.285751     -3.526337     -4.284765
 O     -3.559900     -4.301665      2.475332
 O     -3.778305      0.423271     -2.419486
 O      2.642479      2.393530      2.536972
 O      4.033101      2.502747     -3.061946
 O     -1.347240     -0.865225     -0.231120
 O      3.409495     -4.326445     -0.269000
 O      0.634000     -0.610243     -1.892191
 O      4.508335      3.707414      4.295258
 O      1.535944      3.798768     -1.284156
 O      0.693949      1.366606      4.307775
 O     -2.699941      3.138110     -4.857367
 O     -4.098468      3.341450      1.077547
 O      0.385950      3.087827      1.271501
 O      4.106690      0.138722      4.255077
 O     -0.618057     -2.503688     -3.927893
 O     -4.625297     -1.100433     -0.195504
 O     -1.597252      1.801378      0.504038
 O     -3.254011     -1.662514     -4.453115
 O      0.700690     -1.416488      1.716833
 O     -1.835570      2.841976     -2.141722
 O      1.096340      1.689847     -3.131824
 O      4.900567      0.740411      1.850349
 O     -4.834104     -4.004714     -4.556206
 O     -2.964911     -3.248319      0.027800
 O      1.925273     -1.242326      4.185301
 H      0.223929     -4.456118      3.090370
 H      0.270582     -3.302012      2.023299
 H     -0.514533     -4.053210      5.025888
 H     -1.348630     -5.447112      4.725676
 H      2.845776     -2.516426     -0.345286
 H      3.426929     -1.117850     -0.016092
 H      2.344348     -4.345135      2.426342
 H      3.350438     -5.261600      3.237610
 H     -5.445417      4.201137     -2.402829
 H     -5.135304      5.261259     -1.374774
 H     -2.781921      0.034457      3.078374
 H     -2.824917     -0.387829      4.520967
 H      0.172475     -5.039182     -1.695922
 H     -1.183374     -5.415856     -2.258892
 H      3.262248     -3.753088     -4.246428
 H      1.699468     -4.282374     -3.957835
 H     -4.358533     -3.899185      2.839131
 H     -2.848655     -4.187280      3.179859
 H     -3.425427     -0.067603     -3.195939
 H     -3.399186      1.338162     -2.534314
 H      3.159182      1.628316      2.121690
 H      3.253948      2.661285      3.261564
 H      4.612463      1.772183     -2.808602
 H      3.108114      2.082257     -3.198476
 H     -2.068123     -1.565824     -0.027614
 H     -1.512793      0.121591      0.039162
 H      3.670687     -4.506822      0.729429
 H      2.659255     -4.933682     -0.528050
 H      1.435562     -0.957406     -1.403190
 H     -0.198261     -0.882654     -1.330755
 H      5.303684      3.221076      4.040525
 H      4.412474      3.363002      5.219944
 H      1.316492      3.377797     -0.442182
 H      1.350157      3.032084     -1.924801
 H      1.282977      1.800806      3.589098
 H     -0.200277      1.149168      3.879710
 H     -2.448400      2.200598     -5.202770
 H     -2.643489      3.052094     -3.889829
 H     -4.451222      4.109165      1.605363
 H     -4.594093      3.445966      0.260025
 H      1.156877      2.873326      1.893632
 H      0.003811      3.897527      1.711189
 H      4.675406      0.380771      3.458315
 H      4.706224     -0.264496      4.924048
 H     -0.525189     -3.023949     -3.115349
 H     -0.305958     -1.591175     -3.663954
 H     -4.092242     -0.549911     -0.872583
 H     -4.212696     -2.050567     -0.194189
 H     -2.161733      2.009776      1.301855
 H     -0.692374      2.094193      0.824285
 H     -3.937887     -2.362845     -4.385864
 H     -2.351697     -2.075934     -4.168144
 H      1.513752     -1.438592      1.140441
 H      0.010717     -1.016345      1.086643
 H     -0.889961      2.593316     -2.168708
 H     -1.920637      2.694380     -1.156581
 H      0.792892      0.864959     -2.703684
 H      1.179511      1.539773     -4.130375
 H      5.367954      1.569008      1.580764
 H      5.200715      0.097239      1.146569
 H     -4.705450     -4.475228     -3.608837
 H     -4.851734     -4.782028     -5.170614
 H     -3.149857     -3.772336      0.812688
 H     -2.688289     -3.901907     -0.715378
 H      2.062648     -2.184577      4.558258
 H      2.809380     -0.768229      4.212302
 H      1.455240     -1.206391      3.246233
         100
         180
 O      0.639609     -4.164628      2.225738
 O     -0.731640     -4.743856      4.346204
 O      2.564769     -1.596522     -0.077939
 O      3.342036     -4.495757      2.631145
 O     -4.696128      4.737027     -2.098162
 O     -2.380444      0.277116      3.911361
 O     -0.552058     -4.602449     -2.216287
 O      2.286088     -3.535033     -4.279336
 O     -3.562685     -4.297474      2.480852
 O     -3.774438      0.419585     -2.416372
 O      2.643368      2.398971      2.537275
 O      4.031319      2.500347     -3.059313
 O     -1.348673     -0.868665     -0.230094
 O      3.411979     -4.323094     -0.266147
 O      0.628440     -0.611997     -1.893506
 O      4.507787      3.704703      4.296705
 O      1.540884      3.794796     -1.279736
 O      0.687269      1.370377      4.311329
 O     -2.707161      3.138003     -4.854696
 O     -4.098190      3.344533      1.082872
 O      0.382990      3.087985      1.265506
 O      4.107754      0.144415      4.260002
 O     -0.623427     -2.505993     -3.921478
 O     -4.630698     -1.095587     -0.192080
 O     -1.598297      1.804211      0.503623
 O     -3.258112     -1.669929     -4.451648
 O      0.710865     -1.410748      1.711185
 O     -1.832685      2.837691     -2.143302
 O      1.107829      1.692500     -3.136570
 O      4.902201      0.747167      1.849050
 O     -4.836562     -4.004655     -4.551480
 O     -2.966279     -3.251760      0.032541
 O      1.929494     -1.243694      4.187306
 H      0.224169     -4.465080      3.090454
 H      0.277036     -3.291933      2.046252
 H     -0.497407     -4.071469      5.031093
 H     -1.335664     -5.455670      4.714908
 H      2.825590     -2.520350     -0.358219
 H      3.405407     -1.096758     -0.001125
 H      2.337420     -4.340461      2.433666
 H      3.321861     -5.252560      3.236163
 H     -5.441369      4.200106     -2.418558
 H     -5.121687      5.265743     -1.381941
 H     -2.769920      0.023252      3.079517
 H     -2.820055     -0.392695      4.524569
 H      0.181693     -5.019700     -1.701969
 H     -1.180645     -5.408159     -2.255314
 H      3.263978     -3.745422     -4.268032
 H      1.718607     -4.290197     -3.964390
 H     -4.366920     -3.910104      2.837728
 H     -2.853400     -4.189791      3.174732
 H     -3.417464     -0.083560     -3.179694
 H     -3.411592      1.333159     -2.541401
 H      3.141895      1.637430      2.105097
 H      3.263801      2.658296      3.247131
 H      4.616161      1.775304     -2.818948
 H      3.100587      2.102154     -3.196828
 H     -2.066356     -1.571619     -0.031898
 H     -1.500153      0.132425      0.027582
 H      3.705020     -4.518402      0.725983
 H      2.656301     -4.925656     -0.534639
 H      1.435636     -0.946029     -1.408445
 H     -0.223249     -0.881882     -1.336499
 H      5.287511      3.217598      4.017699
 H      4.412477      3.374876      5.215945
 H      1.304501      3.391919     -0.435911
 H      1.365186      3.022310     -1.912075
 H      1.279752      1.801983      3.596758
 H     -0.179473      1.132362      3.861181
 H     -2.458672      2.206937     -5.214753
 H     -2.662476      3.051437     -3.893710
 H     -4.464998      4.112626      1.588686
 H     -4.572937      3.454342      0.254166
 H      1.155261      2.866694      1.881899
 H     -0.004893      3.891763      1.702205
 H      4.679768      0.372710      3.453641
 H      4.688965     -0.268585      4.920611
 H     -0.526829     -3.045434     -3.121257
 H     -0.317114     -1.593758     -3.676614
 H     -4.095193     -0.535521     -0.864249
 H     -4.226627     -2.067138     -0.198347
 H     -2.160986      1.982758      1.308483
 H     -0.689348      2.085287      0.795546
 H     -3.949606     -2.360871     -4.402531
 H     -2.343090     -2.065777     -4.150951
 H      1.523047     -1.464686      1.140722
 H      0.011302     -1.006434      1.089149
 H     -0.888024      2.616215     -2.171289
 H     -1.915315      2.701016     -1.167542
 H      0.788678      0.868465     -2.711987
 H      1.184352      1.555521     -4.139066
 H      5.365882      1.568831      1.563164
 H      5.221869      0.112611      1.144501
 H     -4.721553     -4.471019     -3.586904
 H     -4.850780     -4.762438     -5.181190
 H     -3.158955     -3.773757      0.815150
 H     -2.674182     -3.888815     -0.699053
 H      2.078358     -2.164019      4.548083
 H      2.806686     -0.752472      4.216597
 H      1.466903     -1.198212      3.226773
         100
         190
 O      0.632115     -4.161697      2.227716
 O     -0.727255     -4.744166      4.346257
 O      2.566011     -1.599778     -0.076373
 O      3.349861     -4.494988      2.626353
 O     -4.695831      4.730365     -2.099763
 O     -2.380850      0.271604      3.910621
 O     -0.554648     -4.606829     -2.225322
 O      2.286339     -3.544007     -4.273730
 O     -3.564962     -4.293212      2.486674
 O     -3.770506      0.416289     -2.413217
 O      2.644411      2.403979      2.537318
 O      4.028500      2.498128     -3.057015
 O     -1.350340     -0.872058     -0.228701
 O      3.414913     -4.319681     -0.262368
 O      0.622133     -0.614055     -1.894713
 O      4.506823      3.701650      4.298130
 O      1.545925      3.790390     -1.275685
 O      0.680265      1.374527      4.313984
 O     -2.714439      3.137157     -4.852807
 O     -4.098037      3.347751      1.088754
 O      0.380371      3.088270      1.259861
 O      4.108918      0.150357      4.265070
 O     -0.629306     -2.507715     -3.915204
 O     -4.635681     -1.090806     -0.188791
 O     -1.600048      1.806724      0.503332
 O     -3.261624     -1.677329     -4.449768
 O      0.721048     -1.404430      1.705558
 O     -1.829712      2.833304     -2.144636
 O      1.120193      1.695983     -3.141611
 O      4.904179      0.754191      1.847417
 O     -4.839079     -4.004594     -4.545333
 O     -2.967414     -3.255307      0.036128
 O      1.933328     -1.245224      4.188784
 H      0.223718     -4.473700      3.089985
 H      0.283082     -3.276361      2.068560
 H     -0.481424     -4.090656      5.036583
 H     -1.320349     -5.462806      4.703588
 H      2.804890     -2.524108     -0.370219
 H      3.385190     -1.075413      0.013379
 H      2.334250     -4.334940      2.441789
 H      3.293728     -5.244126      3.235839
 H     -5.438602      4.194785     -2.434878
 H     -5.108871      5.271574     -1.388634
 H     -2.759029      0.011124      3.074735
 H     -2.813083     -0.397881      4.528230
 H      0.193370     -4.998439     -1.708162
 H     -1.176095     -5.395040     -2.252509
 H      3.264565     -3.738975     -4.290599
 H      1.741745     -4.295674     -3.972296
 H     -4.379372     -3.919254      2.838119
 H     -2.860097     -4.192836      3.167524
 H     -3.409486     -0.102872     -3.163346
 H     -3.423006      1.326228     -2.547055
 H      3.122095      1.649236      2.088430
 H      3.275005      2.657320      3.234200
 H      4.622053      1.774281     -2.828780
 H      3.096822      2.124181     -3.193121
 H     -2.060928     -1.572419     -0.036627
 H     -1.489628      0.137165      0.014834
 H      3.734970     -4.529156      0.714983
 H      2.655814     -4.916954     -0.540315
 H      1.433615     -0.933927     -1.414241
 H     -0.243110     -0.879040     -1.344820
 H      5.275686      3.212536      3.992274
 H      4.410762      3.385467      5.214954
 H      1.290330      3.406206     -0.423588
 H      1.383007      3.014520     -1.899858
 H      1.273485      1.799997      3.608574
 H     -0.154426      1.115383      3.844894
 H     -2.470817      2.219041     -5.225120
 H     -2.681338      3.050749     -3.893762
 H     -4.476544      4.115245      1.572988
 H     -4.552124      3.462217      0.242812
 H      1.152582      2.860182      1.866551
 H     -0.013133      3.886286      1.690402
 H      4.682023      0.362844      3.449584
 H      4.672456     -0.273041      4.918129
 H     -0.528141     -3.070710     -3.123356
 H     -0.327142     -1.598760     -3.689647
 H     -4.101863     -0.524591     -0.853539
 H     -4.242759     -2.076384     -0.202680
 H     -2.159076      1.954763      1.311535
 H     -0.684482      2.078124      0.766722
 H     -3.962252     -2.362281     -4.420386
 H     -2.338947     -2.054444     -4.135328
 H      1.533957     -1.492902      1.138628
 H      0.013811     -0.998479      1.095058
 H     -0.882384      2.637954     -2.178856
 H     -1.913523      2.707684     -1.176754
 H      0.784928      0.867522     -2.719218
 H      1.185467      1.571857     -4.145193
 H      5.363215      1.572031      1.545928
 H      5.241961      0.125402      1.142758
 H     -4.737931     -4.462104     -3.571151
 H     -4.850208     -4.742235     -5.192232
 H     -3.169058     -3.778552      0.824210
 H     -2.660614     -3.871464     -0.677945
 H      2.092977     -2.146124      4.538892
 H      2.807166     -0.732329      4.219870
 H      1.479599     -1.190846      3.210268
         100
         200
 O      0.624883     -4.159470      2.229786
 O     -0.723079     -4.744780      4.346231
 O      2.566970     -1.603118     -0.074957
 O      3.356904     -4.493861      2.621064
 O     -4.695178      4.723951     -2.101515
 O     -2.381139      0.266361      3.910487
 O     -0.557519     -4.611479     -2.234219
 O      2.286700     -3.552581     -4.268296
 O     -3.566864     -4.289076      2.492373
 O     -3.766738      0.413340     -2.410069
 O      2.645404      2.408436      2.537025
 O      4.024915      2.496285     -3.055111
 O     -1.352019     -0.875163     -0.227037
 O      3.418205     -4.316320     -0.257875
 O      0.615177     -0.616277     -1.895832
 O      4.505432      3.698444      4.299279
 O      1.550877      3.785758     -1.272013
 O      0.673353      1.378938      4.315736
 O     -2.721563      3.135746     -4.851842
 O     -4.098043      3.350912      1.094750
 O      0.378197      3.088583      1.254644
 O      4.109971      0.156449      4.269828
 O     -0.635578     -2.509035     -3.909306
 O     -4.640064     -1.086382     -0.185705
 O     -1.602500      1.808708      0.502999
 O     -3.264389     -1.684345     -4.447528
 O      0.730877     -1.397783      1.700284
 O     -1.826810      2.829037     -2.145844
 O      1.132943      1.700073     -3.146672
 O      4.906494      0.761181      1.845424
 O     -4.841615     -4.004376     -4.537910
 O     -2.968437     -3.258636      0.038840
 O      1.936661     -1.246373      4.189390
 H      0.222323     -4.481518      3.089225
 H      0.288657     -3.256337      2.089567
 H     -0.467081     -4.109384      5.042888
 H     -1.303764     -5.468738      4.692649
 H      2.785563     -2.527179     -0.380625
 H      3.368057     -1.055167      0.026655
 H      2.336035     -4.328416      2.449897
 H      3.267794     -5.237190      3.237115
 H     -5.437107      4.185573     -2.450577
 H     -5.097848      5.278376     -1.394522
 H     -2.749661     -0.001661      3.064377
 H     -2.804478     -0.403312      4.531668
 H      0.206478     -4.976420     -1.714639
 H     -1.171226     -5.379029     -2.250682
 H      3.264296     -3.734397     -4.313037
 H      1.766112     -4.301445     -3.980136
 H     -4.395125     -3.926316      2.840413
 H     -2.867163     -4.195895      3.160183
 H     -3.401794     -0.124703     -3.147675
 H     -3.432285      1.318741     -2.551343
 H      3.101230      1.662565      2.072054
 H      3.287771      2.658625      3.223986
 H      4.629285      1.769097     -2.837875
 H      3.096260      2.146496     -3.187502
 H     -2.052967     -1.568605     -0.041300
 H     -1.482121      0.135076      0.001542
 H      3.758584     -4.538650      0.696899
 H      2.658328     -4.908011     -0.544388
 H      1.429534     -0.921928     -1.419870
 H     -0.256015     -0.874267     -1.355389
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 H      4.407802      3.393665      5.217960
 H      1.274614      3.420390     -0.406407
 H      1.402723      3.008625     -1.888935
 H      1.265194      1.795466      3.623514
 H     -0.128198      1.098300      3.830912
 H     -2.484128      2.235553     -5.233341
 H     -2.699204      3.049790     -3.889536
 H     -4.485839      4.117779      1.559886
 H     -4.531737      3.468931      0.227070
 H      1.149316      2.854246      1.848706
 H     -0.020776      3.881916      1.676723
 H      4.681747      0.351547      3.446937
 H      4.658908     -0.278697      4.918346
 H     -0.529074     -3.097603     -3.122290
 H     -0.334936     -1.605014     -3.701606
 H     -4.111824     -0.517788     -0.841091
 H     -4.260554     -2.076527     -0.207037
 H     -2.155828      1.927254      1.311496
 H     -0.677811      2.073376      0.739734
 H     -3.974738     -2.367361     -4.438482
 H     -2.340276     -2.043030     -4.122191
 H      1.545786     -1.521777      1.133682
 H      0.018625     -0.992901      1.103862
 H     -0.872728      2.657520     -2.191138
 H     -1.915451      2.713759     -1.182390
 H      0.782296      0.863170     -2.725726
 H      1.182764      1.587896     -4.148345
 H      5.359943      1.579093      1.530164
 H      5.259725      0.134705      1.141776
 H     -4.753660     -4.449176     -3.563051
 H     -4.849954     -4.723062     -5.203174
 H     -3.179444     -3.785813      0.838527
 H     -2.647247     -3.852718     -0.655252
 H      2.106310     -2.134619      4.531930
 H      2.810285     -0.708981      4.222186
 H      1.492887     -1.185062      3.198325
