219
Au10T-I1
Au        2.443580    1.473808   45.582353
Au        5.198930    2.497178   45.405040
Au        2.955538    4.185114   45.174935
Au        5.125187    4.055187   43.194149
Au        6.563800    1.998279   47.932825
Au        1.232227   -0.596578   47.280251
Au        7.246110    0.548252   45.608682
Au        3.455473    2.814078   47.714537
Au        4.777620    0.169932   46.960232
Au        7.576244    3.131356   44.252078
P         4.809634    5.090430   41.112684
P         8.094458    2.878367   49.479171
P        -0.695253    0.767641   47.071090
P         8.968044   -0.587749   44.530845
P         2.169289    6.288559   44.531558
P         1.766489    0.274031   43.628543
P         3.822234    3.718234   49.857711
P         9.748885    3.779760   43.663361
C         6.676175    3.917742   51.741476
C         3.060540    7.347438   41.427532
H         5.751656   -0.262576   53.516872
C         5.447882    0.498338   52.797070
C         6.184567    1.675002   52.675183
C         5.820737    2.689485   51.768405
C         4.652584    2.513174   50.990820
C         3.943442    1.299692   51.095470
H         3.073058    1.136356   50.455565
C         4.326979    0.302677   51.987978
H         3.750930   -0.620058   52.056956
C         3.136933   -1.363878   47.217325
C         4.188140   -2.053268   47.193062
H         6.859991   -6.630267   48.186948
C         2.040042    8.190450   40.958026
H         7.065171    1.829501   53.300993
C         1.266777    7.855632   39.846046
C         1.510179    6.656711   39.176899
C         3.352749    6.161080   40.707094
H        12.628441   -0.199699   42.630972
C         3.824328    7.801620   42.635332
C         5.338444    8.848407   44.777790
H        11.112897    1.723080   40.550117
H         5.917413    9.243097   45.613202
H        -1.953170    1.350398   42.254925
H        -2.627231    3.723113   42.531661
C         5.605745    9.261514   43.471498
C         4.856175    8.735281   42.421091
C         8.437591    5.328084   50.836516
H         9.214310    5.529522   50.101059
C        -1.923905   -2.581603   43.695151
C        -2.083618   -1.227214   43.992522
C        -0.988309   -0.347707   44.024277
C         0.299683   -0.846178   43.705633
C         0.446348   -2.215481   43.421684
H         1.427409   -2.622376   43.182423
C        -0.650470   -3.078822   43.419857
H        -0.509133   -4.133602   43.181672
H         5.748319    4.662897   53.534627
H         7.107218    6.739922   53.636277
C        11.223136    2.668447   43.835866
C        12.317359    3.105428   44.607527
H        12.265549    4.047498   45.150350
C        13.501356    2.369367   44.676854
H        14.334213    2.739043   45.275597
C        13.622418    1.184473   43.951648
C        12.540561    0.727869   43.198996
C        11.324118    1.429242   43.152746
H        -3.080700   -0.829885   44.189251
C        -1.274721    1.102304   44.282320
C        -1.134672    1.726891   45.546894
C        -1.493435    3.080039   45.679557
H        -1.394516    3.579711   46.641453
C        -2.019009    3.802073   44.606947
H        -2.329130    4.837864   44.752293
C        -2.188701    3.180619   43.369987
C        -1.811041    1.846454   43.216448
C         8.285948   -0.545294   41.868007
H         7.484926   -1.194811   42.221904
C         9.228426   -0.034097   42.783186
C        10.234716    0.841737   42.305270
C        10.299255    1.098730   40.922470
C         9.379427    0.557403   40.026288
C         8.354526   -0.258999   40.507035
H         7.624770   -0.693717   39.823241
H         9.471355    0.763289   38.959382
C         8.225174    6.267965   51.846729
H         8.827100    7.176544   51.875157
H        14.553627    0.617771   43.968778
H         2.744409    4.916920   39.034299
H        -2.792701   -3.239972   43.669336
C         3.514013    7.430641   43.967237
C         4.306254    7.944137   45.013737
H         4.107905    7.636736   46.041201
H         1.851028    9.125777   41.487810
H         0.479452    8.529020   39.505548
C         7.263822    6.025618   52.827519
C         6.501868    4.857609   52.769879
H         6.387087    9.994958   43.270393
H         5.053047    9.063325   41.399194
H         0.911885    6.374759   38.310054
C         2.550993    5.827695   39.598607
C         7.687008    4.139340   50.773184
C         5.160498   -3.162713   47.244907
C         5.540723   -5.634595   46.774215
C         4.532063   -4.478443   46.718441
C         5.734603   -3.357828   48.671021
C         6.731845   -4.523806   48.715141
C         6.112641   -5.823843   48.185330
H         6.004460   -2.907355   46.579532
H         6.364864   -5.433438   46.067950
H         5.057116   -6.559633   46.428325
H         3.654789   -4.724141   47.339144
H         4.163942   -4.329190   45.692980
H         4.897988   -3.557034   49.360000
H         6.206708   -2.421813   49.004159
H         7.091184   -4.662872   49.745146
H         7.618969   -4.268527   48.109152
H         5.305551   -6.146294   48.865143
C        -0.658033    2.004507   48.432041
H        -0.513397    1.440456   49.363090
H         0.189062    2.687567   48.292648
H        -1.600860    2.561615   48.506808
C        -2.268353   -0.123817   47.415884
H        -3.113506    0.575879   47.372640
H        -2.415884   -0.920527   46.678714
H        -2.203251   -0.566662   48.418374
C         1.524454    1.270063   42.093426
H         1.342247    0.619690   41.227312
H         0.682588    1.957975   42.224572
H         2.439343    1.858893   41.942295
C         3.173747   -0.812850   43.152483
H         4.045736   -0.158565   43.024136
H         3.391132   -1.515200   43.966240
H         2.981069   -1.354106   42.216249
C         4.801904    3.773444   39.823947
H         5.693222    3.156055   39.993229
H         3.918629    3.132052   39.925729
H         4.843188    4.193767   38.810300
C         6.260460    6.101629   40.588633
H         6.432473    6.912062   41.304522
H         7.140071    5.445873   40.569128
H         6.091291    6.520372   39.587885
C         1.332508    7.242545   45.871518
H         0.460801    6.662641   46.200263
H         1.996741    7.383328   46.730371
H         1.004827    8.222924   45.500369
C         0.829550    6.175891   43.281915
H         0.037832    5.569860   43.742640
H         0.435214    7.165462   43.021691
H         1.175579    5.666512   42.377640
C        10.179393    5.289224   44.627937
H        10.254723    5.058547   45.696792
H        11.113744    5.747168   44.277644
H         9.356500    6.001612   44.488930
C         9.870676    4.413206   41.935113
H         9.181363    5.261737   41.837975
H        10.895006    4.746534   41.721889
H         9.581154    3.630721   41.225790
C        10.543011   -0.553686   45.475983
H        11.328928   -1.119724   44.961334
H        10.881213    0.472514   45.647068
H        10.329799   -1.026274   46.444215
C         8.681889   -2.402845   44.370952
H         8.667846   -2.827501   45.383186
H         7.716759   -2.611719   43.898128
H         9.485893   -2.870765   43.787377
C         8.916967    1.515006   50.407021
H         9.703817    1.919287   51.057479
H         8.178652    0.976253   51.010119
H         9.354960    0.818745   49.680521
C         9.498134    3.609313   48.538116
H         9.810549    2.858546   47.801390
H         9.164141    4.503227   47.998257
H        10.347531    3.853637   49.189568
C         2.296526    4.156972   50.799815
H         1.719558    4.887697   50.217940
H         1.681878    3.263374   50.955706
H         2.558397    4.589405   51.774766
C         4.693865    5.332339   49.779875
H         4.040067    5.996748   49.198624
H         4.863440    5.764627   50.772497
H         5.646018    5.229569   49.250228
C        -0.831383   -0.349262   52.110450
C        -2.074200   -0.827378   52.530371
C        -2.674455   -1.875948   51.835703
C        -2.067119   -2.489078   50.720742
C        -0.821129   -1.978279   50.274567
C        -0.231747   -0.911258   50.985204
H        -0.338472    0.459552   52.651499
H        -2.573271   -0.391315   53.396655
H        -3.642698   -2.256484   52.164700
H         0.729786   -0.518263   50.641761
C        -2.839766   -3.608908   50.082028
C        -2.614345   -4.971007   50.407883
C        -3.896759   -3.268439   49.223082
C        -3.430630   -5.941733   49.801121
C        -4.699078   -4.248995   48.635231
H        -4.098608   -2.214445   49.022519
C        -4.456385   -5.592657   48.919383
H        -3.277299   -6.996272   50.029147
H        -5.516936   -3.962507   47.972866
H        -5.077710   -6.371107   48.474764
P         0.221091   -2.500184   48.832553
P        -1.213743   -5.422550   51.553550
C        -2.003368   -5.166497   53.225221
H        -2.120332   -4.095547   53.427438
H        -2.979383   -5.663682   53.300236
H        -1.326555   -5.584219   53.983166
C        -1.229850   -7.280272   51.504799
H        -0.945539   -7.643029   50.508190
H        -0.464858   -7.625438   52.214383
H        -2.192889   -7.721445   51.796333
C         1.570158   -3.448006   49.656324
H         2.174004   -2.767308   50.268125
H         1.132852   -4.232507   50.291261
H         2.213523   -3.885050   48.882390
C        -0.625278   -3.791126   47.832870
H        -0.837858   -4.691411   48.420466
H        -1.562714   -3.407458   47.415451
H         0.052640   -4.040125   47.004829

219
Au10T-I10
Au        3.149524   -0.249022   45.198367
Au        5.651264    1.159388   45.323657
Au        3.137515    2.551060   45.054317
Au        4.736311    1.658974   42.816248
Au        6.761977    2.039828   47.818285
Au       -3.173485   -0.549249   42.677907
Au        8.344522    0.752226   45.838773
Au        3.922050    1.297573   47.534415
Au        6.219480   -0.639034   47.365409
Au        7.452384    2.036937   43.437521
P         3.496292    1.863255   40.844369
P         7.423404    3.731141   49.296203
P        -3.987544   -0.391775   44.837501
P        10.577442    0.319347   45.313987
P         2.577424    4.757035   44.481562
P         0.672890   -0.248164   45.037626
P         3.246086    1.886276   49.712372
P         9.064162    3.091047   42.075770
C         5.423426    3.948904   51.355992
C         1.666110    4.045094   41.329796
H         7.008181    0.353355   53.795505
C         6.330004    0.670183   53.002481
C         6.304551    2.002851   52.596934
C         5.424758    2.466559   51.598819
C         4.515583    1.546599   51.017883
C         4.575991    0.196199   51.420034
H         3.894696   -0.527677   50.972097
C         5.461510   -0.242415   52.401342
H         5.451780   -1.286308   52.717933
C        -2.558144   -0.721403   40.793059
C        -2.332495   -0.953587   39.607869
H        -0.790950   -3.100204   34.911517
C         0.368067    4.583981   41.298080
H         6.959672    2.726125   53.084644
C        -0.745652    3.813949   40.958035
C        -0.578836    2.469579   40.631609
C         1.842480    2.687791   40.946772
H        13.716914    1.335834   42.820536
C         2.785907    5.012867   41.597022
C         4.777520    7.006608   41.819470
H        11.736430    0.647512   40.379017
H         5.538570    7.780723   41.922413
H        -0.910919    2.423644   47.746741
H        -2.097960    4.528519   47.169413
C         4.296251    6.646048   40.562438
C         3.314498    5.660162   40.465341
C         6.130746    6.017544   50.288590
H         6.721889    6.552822   49.547918
C        -1.335698   -1.561988   49.046789
C        -1.948432   -0.530900   48.338443
C        -1.432222   -0.038037   47.122579
C        -0.227805   -0.602084   46.625315
C         0.395242   -1.621176   47.376031
H         1.342088   -2.032096   47.019363
C        -0.149993   -2.113466   48.559464
H         0.353179   -2.914696   49.102333
H         4.070160    4.208466   53.007722
H         3.969018    6.681050   52.834106
C        10.865381    3.187659   42.509985
C        11.447497    4.457799   42.691069
H        10.834862    5.355356   42.634242
C        12.815709    4.609654   42.921476
H        13.234719    5.608083   43.049861
C        13.641086    3.486329   42.950609
C        13.077702    2.219916   42.795266
C        11.696097    2.041619   42.611254
H        -2.861610   -0.078191   48.728412
C        -2.169966    1.147684   46.560920
C        -3.307010    1.095790   45.717805
C        -3.949861    2.305476   45.383473
H        -4.810688    2.291669   44.715555
C        -3.527251    3.532655   45.887277
H        -4.068566    4.441708   45.624298
C        -2.424595    3.580104   46.740897
C        -1.761848    2.398320   47.063596
C        10.386135   -1.510266   43.277117
H        10.004555   -2.135481   44.085271
C        10.768187   -0.179283   43.541429
C        11.215320    0.628089   42.466371
C        11.336670    0.040555   41.192664
C        10.988492   -1.287732   40.955099
C        10.494315   -2.064374   42.004271
H        10.211305   -3.104003   41.837636
H        11.111182   -1.713938   39.959037
C         5.317903    6.761074   51.145088
H         5.283857    7.846960   51.051929
H        14.716982    3.592437   43.092746
H         0.800316    0.876548   40.336899
H        -1.777309   -1.922174   49.976722
C         3.240889    5.420144   42.880828
C         4.250254    6.399305   42.959268
H         4.625457    6.720788   43.928711
H         0.241055    5.643870   41.523520
H        -1.735952    4.270572   40.937700
C         4.582001    6.111121   52.135014
C         4.640953    4.721089   52.231648
H         4.664999    7.138684   39.662113
H         2.914399    5.394585   39.485903
H        -1.427585    1.829593   40.380637
C         0.705246    1.923133   40.620208
C         6.216909    4.614830   50.386768
C        -2.119620   -1.290324   38.200400
C        -2.348979   -3.114075   36.429891
C        -2.555764   -2.749892   37.905348
C        -0.657065   -1.060541   37.744402
C        -0.460484   -1.433076   36.267803
C        -0.900925   -2.875838   35.982487
H        -2.762285   -0.624809   37.592326
H        -3.028733   -2.508164   35.806087
H        -2.633031   -4.163377   36.264280
H        -1.965573   -3.425088   38.548233
H        -3.607913   -2.878218   38.195061
H         0.003207   -1.679981   38.377783
H        -0.382382   -0.007837   37.917118
H         0.593356   -1.290123   35.981986
H        -1.048578   -0.741694   35.640034
H        -0.233694   -3.573184   36.519259
C        -3.769275   -1.891626   45.879068
H        -4.296453   -2.704390   45.361416
H        -2.713825   -2.163826   45.970594
H        -4.205245   -1.753906   46.876360
C        -5.814956   -0.169973   44.897731
H        -6.160765    0.025347   45.921519
H        -6.138646    0.637834   44.232678
H        -6.264295   -1.101969   44.529512
C        -0.031188    1.254760   44.254779
H        -1.084270    1.107500   43.979127
H         0.075123    2.112708   44.926843
H         0.548990    1.443224   43.341785
C         0.041553   -1.568401   43.913795
H         0.575193   -1.507581   42.956350
H         0.199612   -2.559866   44.353553
H        -1.033568   -1.424463   43.705478
C         3.159826    0.195499   40.142123
H         4.133394   -0.285796   39.982270
H         2.579544   -0.414180   40.843670
H         2.630237    0.257119   39.182307
C         4.402255    2.650718   39.444812
H         4.751753    3.648673   39.725180
H         5.268034    2.016506   39.212952
H         3.754838    2.719327   38.560295
C         3.259711    5.877780   45.776918
H         2.772519    5.599608   46.719986
H         4.338204    5.723509   45.894682
H         3.046368    6.933004   45.559590
C         0.791242    5.201318   44.543768
H         0.436206    5.013132   45.565381
H         0.651897    6.262390   44.297038
H         0.214880    4.583194   43.849216
C         8.544147    4.846374   41.866375
H         8.573062    5.375788   42.825915
H         9.162618    5.372312   41.127281
H         7.502444    4.830809   41.521615
C         9.035238    2.486483   40.333277
H         8.021138    2.638950   39.942470
H         9.754708    3.044455   39.719577
H         9.269608    1.417464   40.299987
C        11.684912    1.721060   45.740003
H        12.726384    1.505479   45.472747
H        11.362735    2.643130   45.246722
H        11.609698    1.852552   46.827928
C        11.364543   -1.065644   46.243334
H        11.404473   -0.778911   47.302399
H        10.771856   -1.982004   46.153707
H        12.382289   -1.248343   45.873835
C         8.765822    3.157792   50.420102
H         9.098976    3.981369   51.065412
H         8.413048    2.323774   51.035314
H         9.603429    2.811667   49.801028
C         8.273435    5.055240   48.338837
H         9.047726    4.562316   47.737745
H         7.574853    5.549326   47.653940
H         8.746143    5.796708   48.995993
C         1.746929    1.000619   50.319744
H         0.910909    1.275961   49.663940
H         1.872411   -0.084820   50.255240
H         1.516953    1.287211   51.354559
C         2.691070    3.637135   49.804192
H         1.851092    3.727130   49.102406
H         2.352952    3.903278   50.812941
H         3.488713    4.318412   49.491848
C         4.855679   -4.776252   46.144455
C         4.351576   -5.922505   46.795801
C         2.988164   -6.178414   46.906868
C         2.079093   -5.272065   46.358851
C         2.558562   -4.142119   45.702832
C         3.935572   -3.871112   45.560959
C         6.354990   -4.711742   46.092819
C         6.988258   -5.560576   45.167547
C         8.375019   -5.701702   45.125871
C         9.163654   -4.996614   46.035793
C         8.556605   -4.154347   46.966848
C         7.156866   -4.000596   47.019918
H         5.066574   -6.628839   47.220515
H         2.641229   -7.080080   47.411969
H         1.005628   -5.450674   46.428093
H         1.841514   -3.449563   45.261169
H         6.365701   -6.137251   44.481285
H         8.832697   -6.378803   44.404133
H        10.247188   -5.121403   46.041384
H         9.189162   -3.631848   47.683085
P         6.496859   -2.788677   48.243749
P         4.249039   -2.361263   44.518601
C         5.045647   -3.521938   49.105277
H         5.278669   -4.529568   49.472401
H         4.821363   -2.866722   49.957421
H         4.174989   -3.560346   48.444715
C         7.741569   -2.741341   49.599561
H         8.662850   -2.248485   49.272247
H         7.310852   -2.139114   50.410004
H         7.964207   -3.750833   49.969671
C         3.576813   -2.920124   42.886180
H         3.755349   -2.122157   42.154106
H         4.082353   -3.837164   42.556174
H         2.499846   -3.106628   42.951501
C         6.038534   -2.281527   44.105242
H         6.390258   -3.222069   43.664488
H         6.153166   -1.459156   43.386197
H         6.632024   -2.033269   44.992982

161
Au10T-I11
Au        2.736562    1.818311   45.312604
Au        5.445855    2.443838   45.615932
Au        3.183275    4.426927   45.750031
Au        4.947624    4.066217   43.504074
Au        6.424760    1.591609   48.162553
H         8.480232   -2.462229   46.469791
Au        7.652603    0.816750   45.691294
Au        3.618754    2.069136   47.904243
Au        4.917636   -0.144238   46.489549
Au        7.539423    3.216776   44.039409
P         3.764897    5.149929   41.793284
P         7.493221    2.222300   50.165668
H         8.106040   -2.594786   44.745338
P         9.455339   -0.596895   45.318953
P         3.164411    6.697443   46.199010
H         9.744493   -3.027963   45.332797
P         2.855044    2.269024   50.090327
P         9.663431    3.388620   43.075615
C         5.485535    2.906113   52.134601
C         2.140921    7.164520   43.089913
H         5.218009   -1.374253   53.865457
C         4.812555   -0.677331   53.131340
C         5.360057    0.598121   53.005554
C         4.860590    1.540724   52.087160
C         3.730193    1.185411   51.306104
C         3.204641   -0.117294   51.427480
H         2.346909   -0.417038   50.826999
C         3.734538   -1.041718   52.324758
H         3.287543   -2.032276   52.410377
C         8.163465    0.812768   51.142403
H         8.671033    1.181159   52.043847
H         7.361515    0.123762   51.424197
C         0.889415    7.755315   43.335892
H         6.187582    0.894745   53.651539
C        -0.297691    7.198225   42.858900
C        -0.249716    6.023152   42.112138
C         2.192166    5.996692   42.282071
H        13.353892    0.566334   45.110857
C         3.344562    7.911804   43.590123
C         5.521218    9.535920   44.376812
H        12.895756    1.045389   42.015439
H         6.360738   10.155951   44.692291
H         8.885591    0.281755   50.508695
C         9.032383    3.135290   49.732395
C         4.966445    9.684098   43.107180
C         3.893006    8.876753   42.728064
C         7.095157    4.630386   51.537187
H         7.941296    4.981009   50.949566
H         9.642692    2.454622   49.125474
H         8.806045    4.018448   49.124214
H         9.597663    3.425433   50.627925
C         1.082708    1.788872   50.218588
H         0.503603    2.524478   49.645158
H         0.900434    0.803030   49.778967
H         0.753794    1.795594   51.266524
C         2.815025    4.005879   50.686780
H         4.159739    3.438431   53.742070
H         5.081259    5.718848   54.057961
C        11.071286    2.924666   44.184874
C        11.528756    3.962620   45.022835
H        11.040472    4.936424   44.997246
C        12.618493    3.793172   45.873392
H        12.961037    4.625384   46.488902
C        13.286522    2.568120   45.899398
C        12.827528    1.521837   45.101458
C        11.706483    1.658554   44.261111
H         2.124854    4.542586   50.022192
H         2.438944    4.059183   51.716401
H         3.805894    4.466207   50.631733
C         4.209272   -5.605802   45.400166
C         2.881333   -5.986273   45.656698
C         2.098838   -6.592880   44.671213
C         2.650238   -6.836920   43.413760
C         3.979894   -6.491458   43.157941
C         4.787782   -5.885334   44.135769
C        10.137527   -1.541238   42.793215
H         9.381049   -2.295416   43.002564
C        10.383116   -0.508496   43.720871
C        11.355293    0.477544   43.403796
C        12.110389    0.318527   42.228336
C        11.876590   -0.726375   41.335446
C        10.863896   -1.645619   41.607436
H        10.655719   -2.460967   40.914658
H        12.481152   -0.817359   40.432514
C         6.548141    5.498173   52.482810
H         6.967596    6.496925   52.607173
H        14.166272    2.429510   46.528543
H         0.992485    4.537209   41.214122
C         4.993066   -5.008631   46.532859
C         3.876644    7.803045   44.902411
C         4.974640    8.607918   45.263033
H         5.409905    8.532091   46.257282
H         0.858060    8.692061   43.894025
H        -1.249995    7.689409   43.059478
C         5.494934    5.066714   53.288138
C         4.978201    3.784277   53.108664
H         5.357894   10.430920   42.415868
H         3.444441    9.005529   41.742241
H        -1.165468    5.571070   41.730131
C         0.983693    5.437837   41.824167
C         6.599775    3.322766   51.359255
C         5.671922   -5.900305   47.382124
C         6.373907   -5.463996   48.506695
C         6.415721   -4.103262   48.809322
C         5.746469   -3.197871   47.985663
C         5.025723   -3.627075   46.855133
H         2.466843   -5.824566   46.653628
H         1.071171   -6.884492   44.891207
H         2.054550   -7.314948   42.635187
H         4.391740   -6.711382   42.173708
H         5.623649   -6.966004   47.154680
H         6.878821   -6.189016   49.146370
H         6.957795   -3.749326   49.686860
H         5.773038   -2.130504   48.220401
P         4.098718   -2.297870   45.978194
P         6.546976   -5.366587   43.787022
C         4.093394   -2.574965   44.166365
H         3.497822   -3.457519   43.906423
H         3.669340   -1.681742   43.689572
H         5.124124   -2.720467   43.819947
C         2.338093   -2.489441   46.473681
H         2.253256   -2.397973   47.562920
H         1.744198   -1.698236   45.997686
H         1.965910   -3.471878   46.155450
C         6.712702   -5.703751   41.965429
H         7.754341   -5.488201   41.689684
H         6.498840   -6.745522   41.689889
H         6.065123   -5.031689   41.387047
C         7.512796   -6.826979   44.433573
H         7.101713   -7.781261   44.078884
H         8.549334   -6.729802   44.080981
H         7.524486   -6.819340   45.529777
H        10.176265   -0.782551   47.604419
C         3.274900    3.879504   40.556789
H         4.201748    3.433035   40.174230
H         2.682008    3.084670   41.022799
H         2.719247    4.323212   39.719952
C         4.743511    6.317728   40.759605
H         5.195142    7.098001   41.378434
H         5.540784    5.738179   40.275768
H         4.105843    6.772662   39.989959
C         4.137341    7.022915   47.723463
H         3.684450    6.425428   48.524077
H         5.176109    6.699092   47.595806
H         4.099660    8.084057   48.003769
C         1.505707    7.353463   46.642379
H         1.173348    6.847218   47.557432
H         1.565544    8.435676   46.820598
H         0.788289    7.147613   45.842608
C        10.052326    5.110406   42.544317
H         9.906339    5.823568   43.362083
H        11.082262    5.180830   42.169815
H         9.351638    5.368910   41.739881
C         9.759647    2.473476   41.486926
H         9.007714    2.923441   40.825254
H        10.751958    2.574623   41.030440
H         9.517637    1.415375   41.623672
C        10.689179   -0.490510   46.678883
H        11.519606   -1.183275   46.489167
H        11.075103    0.527433   46.782105
C         8.897095   -2.341351   45.461464

181
Au10T-I12
Au        2.401602    1.688925   45.106037
Au        5.067664    2.696297   45.171113
Au        2.824875    4.459461   45.334505
Au        4.816221    4.441402   43.114740
Au        6.456973    2.341770   47.602332
Au        1.587985   -0.689998   47.020814
Au        7.189587    0.831080   45.312628
Au        3.323968    2.719668   47.510882
Au        4.796110    0.296166   46.731596
Au        7.300135    3.311394   43.772187
P         4.295266    5.715761   41.203420
P         7.781614    3.657907   49.019277
P        -0.614643   -0.011157   46.917608
P         8.636869   -0.829878   44.524388
P         2.222646    6.705616   45.067477
P         1.598205    0.339901   43.333253
P         3.421363    3.034059   49.848417
P         9.526790    3.443683   43.090350
C         6.306979    3.890898   51.456991
C         3.010287    8.123248   42.087773
H         7.087119   -0.570515   52.421941
C         6.435191    0.141093   51.914431
C         6.721009    1.504063   51.960201
C         5.899217    2.456614   51.328907
C         4.727375    2.012028   50.670544
C         4.474842    0.627457   50.598916
H         3.611257    0.261528   50.041289
C         5.313394   -0.299779   51.211713
H         5.085368   -1.362866   51.142129
C         3.685778   -1.311544   47.310238
C         3.180197   -2.310538   47.871692
H         3.127186   -7.073143   50.387917
C         2.120856    9.192292   41.888512
H         7.595884    1.856333   52.508748
C         1.212844    9.201112   40.829783
C         1.180411    8.123901   39.944660
C         3.018926    7.056697   41.154554
H        12.445527   -0.154801   45.145227
C         3.947250    8.233588   43.253180
C         5.757792    8.722518   45.364291
H        12.638214    1.011887   42.102900
H         6.444383    8.913743   46.189563
H        -1.947012   -1.898372   42.453345
H        -4.067229   -0.615730   42.371006
C         6.008981    9.252287   44.097931
C         5.111258    9.001914   43.061726
C         7.441410    5.902276   50.693687
H         8.040925    6.437965   49.959370
C         0.870214   -4.147542   44.376984
C        -0.177318   -3.240969   44.538960
C        -0.029133   -1.878326   44.228806
C         1.215891   -1.424193   43.721615
C         2.264345   -2.351250   43.571899
H         3.230884   -2.025478   43.191370
C         2.096817   -3.698405   43.889045
H         2.921620   -4.395748   43.740890
H         5.373075    4.051133   53.388950
H         6.016967    6.424714   53.743218
C        10.731185    2.658441   44.259278
C        11.205658    3.492989   45.291727
H        10.902351    4.538997   45.327028
C        12.094666    3.031721   46.261454
H        12.467964    3.714702   47.025539
C        12.532842    1.707874   46.221024
C        12.069723    0.867283   45.210070
C        11.159654    1.305684   44.230336
H        -1.147874   -3.592845   44.892516
C        -1.260782   -1.028076   44.299671
C        -1.580985   -0.136088   45.349216
C        -2.783438    0.596114   45.280079
H        -3.053734    1.285989   46.079279
C        -3.667873    0.445703   44.213442
H        -4.593118    1.021696   44.189693
C        -3.372156   -0.464992   43.197603
C        -2.181980   -1.187699   43.246996
C         9.638355   -1.412886   41.966666
H         8.814412   -2.121466   41.913001
C         9.789354   -0.582661   43.095158
C        10.861454    0.345556   43.115580
C        11.784772    0.333609   42.055303
C        11.636302   -0.514060   40.958461
C        10.541004   -1.374739   40.903461
H        10.399460   -2.037814   40.049554
H        12.372015   -0.499779   40.153552
C         7.043807    6.581004   51.847030
H         7.329655    7.623836   51.987184
H        13.252007    1.337271   46.952551
H         2.056843    6.258711   39.377751
H         0.719480   -5.201311   44.613502
C         3.674885    7.729465   44.548756
C         4.607700    7.966866   45.578139
H         4.427997    7.562026   46.574437
H         2.149770   10.031885   42.585111
H         0.536167   10.046008   40.698118
C         6.308137    5.912545   52.825733
C         5.947492    4.579323   52.626058
H         6.889683    9.870358   43.919417
H         5.289098    9.435087   42.076219
H         0.472648    8.110700   39.115164
C         2.081855    7.070235   40.103020
C         7.098274    4.552958   50.486483
C         2.825657   -3.557503   48.565127
C         3.099059   -4.923865   50.696997
C         3.475697   -3.622097   49.973936
C         3.200418   -4.808364   47.729369
C         2.817240   -6.097789   48.469904
C         3.452803   -6.163267   49.864879
H         1.730475   -3.565537   48.706828
H         2.016268   -4.919689   50.909504
H         3.605470   -4.958319   51.672677
H         4.570062   -3.562405   49.852872
H         3.161025   -2.748902   50.564354
H         4.286728   -4.789608   47.542436
H         2.703872   -4.753390   46.750575
H         3.118995   -6.968073   47.869632
H         1.718905   -6.150253   48.564812
H         4.549083   -6.236367   49.764311
C        10.102814    5.189577   42.942857
H         9.878991    5.762811   43.848796
H        11.178991    5.232966   42.728976
H         9.547385    5.644498   42.112775
C         9.796264    2.822121   41.381823
H         9.188301    3.454368   40.720671
H        10.851165    2.904059   41.092803
H         9.463249    1.785217   41.280504
C         7.584188   -2.262139   44.043695
H         6.940325   -2.486042   44.903684
H         6.942904   -2.001440   43.193600
H         8.187766   -3.146739   43.801470
C         9.667276   -1.552522   45.868862
H         8.989667   -1.917861   46.651542
H        10.270672   -2.384364   45.482181
H        10.321607   -0.787013   46.297619
C        -1.629770   -0.977702   48.111537
H        -2.673348   -0.636272   48.091774
H        -1.592850   -2.040036   47.842360
H        -1.217274   -0.852771   49.120943
C        -0.807015    1.729403   47.479516
H        -0.271261    1.831275   48.431013
H        -0.343838    2.399783   46.745317
H        -1.858103    2.001552   47.634147
C         0.211128    1.067391   42.366794
H        -0.067374    0.411425   41.531932
H        -0.661673    1.248028   43.000642
H         0.567649    2.029095   41.975098
C         2.931202    0.259924   42.062935
H         3.074968    1.279562   41.684290
H         3.876840   -0.060670   42.511998
H         2.653607   -0.409269   41.237692
C         9.221093    2.714613   49.676567
H         9.857572    3.369473   50.286737
H         8.868867    1.872387   50.281505
H         9.793445    2.325479   48.824493
C         8.589402    4.955963   47.996283
H         9.041809    4.443290   47.137965
H         7.841303    5.663830   47.620006
H         9.372272    5.489259   48.551424
C         1.886642    2.536879   50.743977
H         1.054032    3.147244   50.370526
H         1.664407    1.479208   50.564690
H         2.005749    2.703031   51.823008
C         3.552201    4.809645   50.293643
H         2.673946    5.297815   49.849718
H         3.542818    4.960590   51.379182
H         4.458087    5.253616   49.868617
C         1.650322    7.504230   46.627936
H         0.726175    7.002288   46.942086
H         2.392498    7.392235   47.424799
H         1.450395    8.571205   46.462055
C         0.775065    6.970746   43.970550
H        -0.062843    6.430282   44.431559
H         0.523162    8.035266   43.894238
H         0.953296    6.562390   42.971457
C         5.798191    6.522984   40.500833
H         5.549347    7.048019   39.569265
H         6.212597    7.231766   41.225988
H         6.544010    5.743723   40.298913
C         3.819998    4.556573   39.851848
H         2.843483    4.103391   40.060547
H         3.796992    5.052774   38.872813
H         4.574650    3.760049   39.826543

181
Au10T-I13
Au        2.317918    1.809212   44.893674
Au        4.995253    2.575884   45.197189
Au        2.858850    4.502150   45.408006
Au        4.766194    4.382828   43.197596
Au        6.403482    2.097672   47.640921
Au        1.914619   -0.164524   46.873113
Au        7.116203    0.673910   45.291850
Au        3.115774    2.585301   47.465516
Au        4.651242    0.199127   46.669888
Au        7.275799    3.210205   43.886672
P         4.395565    5.673237   41.284922
P         7.726382    3.410273   49.029714
P        -0.430795    0.400137   46.659743
P         8.758566   -0.839179   44.554255
P         2.225044    6.737636   45.151678
P         1.603890    0.428508   43.104149
P         3.305861    2.864655   49.807559
P         9.446395    3.497363   43.097349
C         6.216895    3.603897   51.445310
C         3.023621    8.053633   42.129964
H         6.872149   -0.903845   52.276947
C         6.244231   -0.162076   51.782291
C         6.563352    1.192139   51.874962
C         5.772907    2.184803   51.266263
C         4.598274    1.787813   50.579750
C         4.310624    0.412027   50.461975
H         3.440540    0.075885   49.893528
C         5.120483   -0.554706   51.054034
H         4.862433   -1.608322   50.948193
C         2.337056   -1.809470   47.954293
C         1.898038   -2.785871   48.563895
H        -0.160091   -7.421558   50.440597
C         2.094827    9.083449   41.905647
H         7.439094    1.504841   52.446071
C         1.194972    9.040100   40.840811
C         1.210623    7.948775   39.973256
C         3.080668    6.973689   41.212740
H        12.573259    0.097083   45.173351
C         3.946519    8.222085   43.300241
C         5.729817    8.810571   45.410106
H        12.670862    1.232153   42.136778
H         6.406324    9.038668   46.234326
H        -2.042820   -1.871155   42.490295
H        -4.118340   -0.518635   42.353881
C         5.985925    9.298461   44.127993
C         5.101369    8.999821   43.092959
C         7.406950    5.612026   50.749956
H         8.022896    6.154356   50.034236
C         0.845520   -3.972669   44.421785
C        -0.192942   -3.048017   44.528739
C        -0.028060   -1.704832   44.152095
C         1.222970   -1.297831   43.621634
C         2.264504   -2.240102   43.530834
H         3.235677   -1.946365   43.135730
C         2.081510   -3.564740   43.923969
H         2.901642   -4.276780   43.830258
H         5.281312    3.730311   53.379414
H         5.987122    6.072181   53.810147
C        10.713037    2.803921   44.253803
C        11.172763    3.689601   45.249898
H        10.823138    4.721604   45.264024
C        12.105283    3.296296   46.208510
H        12.466386    4.017386   46.943196
C        12.601096    1.992599   46.192738
C        12.150659    1.101895   45.218911
C        11.198036    1.469838   44.250773
H        -1.167862   -3.369233   44.898883
C        -1.238147   -0.823429   44.189911
C        -1.474770    0.193768   45.145702
C        -2.644191    0.971004   45.036865
H        -2.847376    1.760739   45.758626
C        -3.583588    0.736336   44.032709
H        -4.484764    1.347786   43.980170
C        -3.377816   -0.302743   43.124425
C        -2.214867   -1.066498   43.206627
C         9.786135   -1.323131   41.994155
H         8.996375   -2.069320   41.936962
C         9.900764   -0.496928   43.130695
C        10.930080    0.481250   43.151852
C        11.849728    0.514945   42.087717
C        11.739692   -0.332389   40.986673
C        10.682781   -1.238932   40.928481
H        10.568321   -1.903464   40.071687
H        12.474187   -0.281216   40.182080
C         7.021702    6.264314   51.922005
H         7.332447    7.294946   52.095378
H        13.356268    1.677106   46.913702
H         2.161701    6.110717   39.442581
H         0.684497   -5.008779   44.718986
C         3.665337    7.765770   44.611867
C         4.585181    8.051574   45.640817
H         4.399347    7.683830   46.650347
H         2.086332    9.935103   42.587906
H         0.487294    9.855992   40.690981
C         6.266969    5.582291   52.877045
C         5.871884    4.265861   52.634305
H         6.859457    9.922586   43.936032
H         5.281703    9.403087   42.095406
H         0.509939    7.894002   39.139575
C         2.151047    6.933635   40.154921
C         7.031198    4.278124   50.502390
C         1.178480   -3.892026   49.209770
C         1.078027   -5.713879   50.970239
C         1.962125   -4.641457   50.312723
C         0.629712   -4.897652   48.162923
C        -0.242848   -5.974613   48.822240
C         0.508162   -6.703469   49.943997
H         0.298631   -3.434785   49.705177
H         0.244279   -5.219218   51.498809
H         1.654330   -6.250663   51.737347
H         2.853298   -5.108554   49.862284
H         2.317983   -3.923943   51.066939
H         1.486089   -5.366008   47.650027
H         0.060218   -4.351161   47.396417
H        -0.584932   -6.692151   48.060753
H        -1.152789   -5.504600   49.234543
H         1.331346   -7.293897   49.507576
C        -0.845454    2.071730   47.315242
H        -0.217342    2.232302   48.199983
H        -0.590995    2.834709   46.569813
H        -1.899664    2.158562   47.607840
C        -1.263709   -0.730369   47.854750
H        -2.342976   -0.530779   47.886202
H        -1.082639   -1.766905   47.547348
H        -0.820320   -0.586149   48.848131
C         0.228349    1.087708   42.076999
H        -0.041095    0.371961   41.289375
H        -0.649838    1.309430   42.690191
H         0.586373    2.019516   41.619992
C         2.959082    0.268076   41.866651
H         3.109548    1.260012   41.422817
H         3.895476   -0.024555   42.352874
H         2.695712   -0.454301   41.082408
C         4.021724    4.528936   39.891333
H         4.810378    3.765853   39.877377
H         3.058642    4.029492   40.049764
H         4.015270    5.050634   38.925361
C         5.917053    6.520748   40.681938
H         6.294257    7.205323   41.448896
H         6.676013    5.754313   40.479275
H         5.699783    7.077374   39.760438
C         1.635591    7.551756   46.695999
H         0.717964    7.039740   47.013339
H         2.374631    7.463490   47.498896
H         1.418921    8.612662   46.513018
C         0.776599    6.945516   44.044764
H        -0.049351    6.393755   44.513908
H         0.498171    8.001407   43.945432
H         0.968943    6.519235   43.055684
C         9.908201    5.271513   42.902531
H         9.668788    5.849979   43.800918
H        10.974807    5.376058   42.663223
H         9.309944    5.672769   42.074649
C         9.699824    2.860439   41.392529
H         9.030577    3.437535   40.740323
H        10.737278    3.006294   41.067464
H         9.434426    1.801727   41.321119
C         9.849312   -1.394996   45.928952
H        10.538500   -2.172035   45.571905
H        10.419343   -0.550537   46.328582
H         9.211555   -1.803755   46.723206
C         7.892096   -2.399701   44.105009
H         7.298993   -2.694726   44.979961
H         7.205469   -2.238027   43.266068
H         8.601503   -3.201789   43.862226
C         9.175514    2.479445   49.678852
H         9.803824    3.144186   50.287127
H         8.832832    1.636185   50.288111
H         9.752677    2.095565   48.827954
C         8.505626    4.721950   48.003726
H         8.957460    4.221558   47.137758
H         7.742932    5.421594   47.641765
H         9.286784    5.262203   48.554292
C         1.784837    2.405471   50.742416
H         0.956505    3.041150   50.403272
H         1.531379    1.355172   50.560930
H         1.943833    2.558262   51.818316
C         3.513848    4.631060   50.261519
H         2.646036    5.156925   49.841392
H         3.533480    4.772739   51.348177
H         4.426974    5.043787   49.820746

181
Au10T-I14
Au        2.220131    2.016438   44.755886
Au        5.021161    2.533783   45.151646
Au        2.941319    4.602856   45.394684
Au        4.759088    4.319560   43.128820
Au        6.468553    2.239983   47.628987
Au        2.126883    0.067023   46.650371
Au        7.265676    0.781621   45.291445
Au        3.274793    2.660801   47.393984
Au        5.025798    0.110470   46.788129
Au        7.265706    3.223405   43.756339
P         4.301683    5.687179   41.274175
P         7.697254    3.530643   49.132348
P        -1.387222    2.585215   44.925015
P         8.838540   -0.747887   44.470223
P         2.521211    6.910224   45.253160
P         1.360987    0.356781   43.257406
P         3.199931    2.862391   49.751395
P         9.484093    3.516895   43.075364
C         6.048740    3.683446   51.471014
C         3.162457    8.167571   42.184416
H         6.700849   -0.776504   52.504747
C         6.080691   -0.062397   51.961845
C         6.412039    1.291473   51.964309
C         5.625755    2.254110   51.302820
C         4.446647    1.824581   50.641113
C         4.147479    0.447257   50.616633
H         3.269853    0.090574   50.076938
C         4.944034   -0.486981   51.273821
H         4.663709   -1.540428   51.261318
C         3.314020   -1.379794   47.319647
C         4.199532   -2.214540   47.578146
H         7.935741   -6.084048   47.889299
C         2.296821    9.259776   42.000958
H         7.287175    1.631384   52.520163
C         1.312113    9.260110   41.013037
C         1.176522    8.149635   40.180970
C         3.067796    7.067194   41.294414
H        12.666174    0.158332   45.141176
C         4.174932    8.300650   43.285226
C         6.110646    8.860645   45.267209
H        12.817357    1.258760   42.147832
H         6.843066    9.083041   46.043739
H        -2.210819   -0.033173   40.781114
H        -2.641869    1.935760   39.326148
C         6.294534    9.326819   43.964983
C         5.334783    9.043567   42.994397
C         7.255680    5.705048   50.852043
H         7.906345    6.255432   50.174615
C        -2.439571   -2.003758   44.532661
C        -2.591642   -0.853822   43.758323
C        -1.488369   -0.081032   43.356104
C        -0.189588   -0.524462   43.708867
C        -0.048751   -1.684033   44.495770
H         0.940550   -2.038338   44.784636
C        -1.161613   -2.414610   44.912388
H        -1.025683   -3.310159   45.519242
H         5.013480    3.794025   53.354303
H         5.672641    6.137579   53.834867
C        10.722280    2.821119   44.262890
C        11.113210    3.684991   45.306423
H        10.717640    4.699605   45.348235
C        12.033449    3.294476   46.277842
H        12.339314    3.999843   47.051588
C        12.589454    2.015919   46.226756
C        12.205402    1.145040   45.208259
C        11.262872    1.509482   44.228763
H        -3.589193   -0.529378   43.457611
C        -1.753144    1.140294   42.533120
C        -1.685085    2.440012   43.090150
C        -1.917004    3.540693   42.247327
H        -1.874196    4.553828   42.648064
C        -2.239162    3.367441   40.898652
H        -2.427383    4.237887   40.268193
C        -2.360784    2.080510   40.369813
C        -2.123132    0.975797   41.188282
C         9.883521   -1.239401   41.913093
H         9.078975   -1.967117   41.830912
C         9.989129   -0.421115   43.055371
C        11.034814    0.535435   43.110454
C        11.984878    0.557100   42.074247
C        11.884565   -0.282705   40.965835
C        10.809983   -1.165848   40.872287
H        10.703705   -1.820612   40.006951
H        12.639827   -0.242570   40.180042
C         6.803844    6.349315   52.004240
H         7.099325    7.380565   52.199216
H        13.336076    1.705064   46.958645
H         1.948564    6.235624   39.629360
H        -3.316655   -2.575027   44.837614
C         3.971825    7.864312   44.619181
C         4.964060    8.135814   45.581939
H         4.830751    7.793554   46.608149
H         2.403496   10.124517   42.658027
H         0.656445   10.123520   40.895893
C         6.004186    5.657259   52.913875
C         5.634878    4.339671   52.642276
H         7.169077    9.925287   43.707963
H         5.460170    9.433169   41.983168
H         0.408569    8.127659   39.406759
C         2.053054    7.072512   40.317200
C         6.907779    4.368711   50.575848
C         5.045919   -3.356202   47.934951
C         7.346390   -4.149191   48.685809
C         6.487253   -2.934717   48.312521
C         5.054987   -4.427739   46.812878
C         5.923334   -5.631156   47.202467
C         7.350372   -5.208654   47.575219
H         4.585289   -3.813547   48.831319
H         6.956094   -4.597072   49.615213
H         8.372314   -3.821496   48.911558
H         6.924650   -2.407637   47.445388
H         6.454183   -2.205813   49.135412
H         5.444301   -3.963412   45.890550
H         4.024225   -4.743131   46.599265
H         5.939323   -6.353617   46.373766
H         5.460744   -6.152120   48.057403
H         7.855493   -4.801279   46.681229
C        -1.090402    4.405420   45.147866
H        -1.045546    4.592999   46.229621
H        -0.112181    4.659196   44.717992
H        -1.875068    5.043520   44.717000
C        -3.152447    2.501121   45.529216
H        -3.788460    3.223653   44.999229
H        -3.551359    1.491041   45.378873
H        -3.170275    2.720189   46.605686
C         1.246991    1.015453   41.543269
H         0.875938    0.236658   40.864081
H         0.588492    1.887422   41.496029
H         2.265060    1.304727   41.249059
C         2.623787   -0.968888   43.052664
H         3.527498   -0.499444   42.643029
H         2.881995   -1.419579   44.016769
H         2.257374   -1.740143   42.361813
C         3.790473    4.599660   39.880030
H         4.547004    3.809000   39.796192
H         2.822747    4.129613   40.090837
H         3.742133    5.147807   38.930094
C         5.831018    6.470780   40.606035
H         6.277284    7.124885   41.362415
H         6.542385    5.673020   40.356728
H         5.596225    7.051997   39.704352
C         2.157302    7.654541   46.899977
H         1.215790    7.214893   47.254318
H         2.940144    7.422123   47.628950
H         2.042697    8.743388   46.815244
C         1.003364    7.351835   44.321648
H         0.160372    6.914072   44.871294
H         0.881010    8.440606   44.275608
H         1.021204    6.938459   43.308631
C         9.946293    5.295129   42.920322
H         9.682580    5.858394   43.821406
H        11.018996    5.403791   42.712063
H         9.369577    5.708696   42.083334
C         9.810947    2.902368   41.374923
H         9.173359    3.490702   40.701405
H        10.862279    3.048555   41.098318
H         9.544966    1.845897   41.276745
C         9.913051   -1.418534   45.807003
H        10.565363   -2.206446   45.407648
H        10.521157   -0.619396   46.242533
H         9.262733   -1.835173   46.586782
C         7.882279   -2.236859   43.963263
H         7.268652   -2.528440   44.824885
H         7.210405   -2.003506   43.129063
H         8.543566   -3.070640   43.693427
C         9.078883    2.553145   49.858385
H         9.676505    3.184408   50.529843
H         8.678200    1.698993   50.414814
H         9.706821    2.180200   49.038932
C         8.584910    4.851837   48.210578
H         9.096686    4.358817   47.374015
H         7.872050    5.577703   47.802059
H         9.329788    5.360817   48.835959
C         1.585337    2.328283   50.456595
H         0.801692    2.968105   50.030721
H         1.365801    1.289532   50.188230
H         1.593600    2.430541   51.549908
C         3.292109    4.616633   50.284027
H         2.450956    5.129646   49.798725
H         3.196229    4.711104   51.372217
H         4.229184    5.077764   49.956586

181
Au10T-I15
Au        2.390865    2.353710   45.295043
Au        5.196425    2.599520   45.356955
Au        3.581277    4.895360   45.446482
Au        5.164833    4.199430   43.140871
Au        6.404403    1.949994   47.864371
Au        1.422774   -2.094324   46.382095
Au        7.055274    0.537217   45.430977
Au        3.661428    3.018484   47.679752
Au        4.525247    0.243235   46.778649
Au        7.536374    2.985473   43.972201
P         4.618183    5.331702   41.165313
P         7.712310    2.859440   49.569979
P        -0.603665   -3.102157   45.838031
P         8.650933   -0.813038   44.387640
P         3.286739    7.193084   45.135679
P         0.434553    1.314007   44.526403
P         3.157252    3.523635   49.905159
P         9.726139    3.446187   43.258310
C         6.030211    4.081732   51.580822
C         3.609115    7.943323   41.847565
H         5.413451    0.206486   54.037036
C         5.027264    0.828809   53.229308
C         5.718744    1.974817   52.839496
C         5.247629    2.821369   51.818667
C         4.003166    2.516385   51.207894
C         3.333225    1.337135   51.592832
H         2.388396    1.068929   51.122867
C         3.831746    0.501604   52.589930
H         3.271757   -0.387208   52.881854
C         3.246293   -1.566770   47.082827
C         4.278776   -1.864591   47.734593
H         8.686302   -3.425348   50.442660
C         2.738786    9.021982   41.614357
H         6.641578    2.247536   53.353367
C         1.654494    8.917219   40.743727
C         1.420931    7.711434   40.083943
C         3.413327    6.739691   41.121934
H        12.170570   -0.813748   42.230350
C         4.742470    8.194158   42.799588
C         6.926492    8.927442   44.435907
H        10.659679    1.180214   40.166498
H         7.758942    9.213999   45.079476
H        -2.254424   -0.120762   42.162373
H        -4.632758   -0.269661   42.860576
C         6.964421    9.194763   43.067420
C         5.882578    8.826546   42.269140
C         7.703211    5.493052   50.518662
H         8.490352    5.646987   49.783460
C         1.549697   -2.230032   41.720364
C         0.298681   -2.259359   42.337600
C        -0.111641   -1.254179   43.230327
C         0.776811   -0.181210   43.496046
C         2.041141   -0.174306   42.877364
H         2.735847    0.637773   43.104452
C         2.426948   -1.181837   41.994693
H         3.409029   -1.144091   41.523006
H         4.992554    5.006377   53.220907
H         6.168458    7.183162   53.043987
C        11.111116    2.221126   43.380087
C        12.292201    2.592708   44.050991
H        12.360393    3.557777   44.550079
C        13.409746    1.756985   44.075938
H        14.312758    2.076603   44.596615
C        13.374290    0.534207   43.406363
C        12.204473    0.142378   42.755321
C        11.054535    0.949065   42.755628
H        -0.400211   -3.063900   42.104150
C        -1.508917   -1.351267   43.763462
C        -1.863718   -2.149622   44.879235
C        -3.216014   -2.230806   45.257035
H        -3.512854   -2.833091   46.114294
C        -4.209249   -1.553645   44.547159
H        -5.250952   -1.641903   44.856405
C        -3.863202   -0.784572   43.436642
C        -2.524239   -0.691759   43.052080
C         7.785405   -0.821949   41.781948
H         6.969517   -1.396450   42.221406
C         8.829733   -0.350190   42.602818
C         9.858766    0.426924   42.016040
C         9.833547    0.633174   40.623612
C         8.809165    0.133633   39.821387
C         7.770149   -0.589142   40.409032
H         6.960830   -0.990121   39.798225
H         8.831344    0.296959   38.743358
C         7.373793    6.555208   51.360716
H         7.896028    7.507295   51.260742
H        14.252171   -0.112116   43.388303
H         2.115334    5.726371   39.707040
H         1.829588   -3.021205   41.023755
C         4.685303    7.968173   44.198884
C         5.799641    8.320721   44.986771
H         5.786670    8.134626   46.060452
H         2.926009    9.963066   42.134305
H         0.998523    9.773323   40.582759
C         6.408104    6.376665   52.350375
C         5.750534    5.151412   52.449838
H         7.821851    9.702506   42.623997
H         5.895545    9.058837   41.203069
H         0.573815    7.606453   39.405385
C         2.299524    6.642575   40.265227
C         7.068231    4.239525   50.625411
C         5.304763   -2.517274   48.560267
C         6.772555   -2.408160   50.632989
C         5.745086   -1.662535   49.771548
C         6.528792   -2.975880   47.732349
C         7.552468   -3.709696   48.609117
C         7.986274   -2.860369   49.810620
H         4.805835   -3.424838   48.952897
H         6.294030   -3.291588   51.089064
H         7.091043   -1.767747   51.469003
H         6.179693   -0.722414   49.385773
H         4.863716   -1.383033   50.365425
H         6.983577   -2.075872   47.280613
H         6.189298   -3.617445   46.906315
H         8.426712   -3.996509   48.005182
H         7.111058   -4.653602   48.970745
H         8.534462   -1.971794   49.449914
C        -1.447853   -3.642535   47.378558
H        -0.714349   -4.202161   47.972757
H        -1.777693   -2.774691   47.961793
H        -2.301377   -4.299533   47.168103
C        -0.367725   -4.683469   44.925867
H        -1.341188   -5.137706   44.699646
H         0.182752   -4.503259   43.996243
H         0.218708   -5.364997   45.556381
C        -0.669988    0.926412   45.940009
H        -1.654292    0.575060   45.611050
H        -0.188331    0.166953   46.570998
H        -0.783704    1.851472   46.520785
C        -0.591423    2.419177   43.469547
H        -0.772129    3.356418   44.012257
H        -0.053618    2.642952   42.540854
H        -1.552309    1.944002   43.234516
C         3.956816    4.096247   39.970016
H         4.694728    3.286069   39.910021
H         3.013168    3.671656   40.331937
H         3.817207    4.526804   38.969767
C         6.093371    5.967729   40.259947
H         6.624421    6.699756   40.877231
H         6.759014    5.118734   40.057300
H         5.789814    6.432919   39.312675
C         3.196018    8.171157   46.696338
H         2.271930    7.880486   47.212346
H         4.041569    7.950423   47.355846
H         3.168915    9.247056   46.478139
C         1.675260    7.597226   44.353892
H         0.897928    7.250933   45.048518
H         1.569241    8.677732   44.197945
H         1.557563    7.073074   43.400745
C        10.321144    4.930147   44.173912
H        10.439508    4.704442   45.240070
H        11.265445    5.313436   43.765175
H         9.546796    5.700333   44.069461
C         9.793641    4.035732   41.511704
H         9.152276    4.922599   41.429025
H        10.823537    4.296746   41.233694
H         9.414899    3.257845   40.840180
C        10.270318   -0.815183   45.252456
H        11.000383   -1.447253   44.732985
H        10.666933    0.199689   45.352590
H        10.081947   -1.225100   46.253720
C         8.255790   -2.611629   44.324716
H         8.273692   -2.996336   45.351989
H         7.255602   -2.783723   43.914370
H         9.000646   -3.142702   43.717351
C         8.383348    1.602204   50.734292
H         9.037181    2.080348   51.475474
H         7.566763    1.079187   51.241903
H         8.960561    0.875264   50.148279
C         9.253932    3.518712   48.808685
H         9.725568    2.679543   48.281501
H         9.019963    4.295471   48.071910
H         9.948287    3.906931   49.565612
C         1.359601    3.257468   50.219578
H         0.813390    3.981710   49.601682
H         1.048610    2.251893   49.916891
H         1.115936    3.420397   51.277753
C         3.329714    5.313066   50.290832
H         2.642730    5.839922   49.615642
H         3.051215    5.523390   51.331054
H         4.349266    5.660271   50.102086

181
Au10T-I16
Au        2.625979    1.625016   44.929625
Au        5.199839    2.769701   45.110087
Au        2.925633    4.435324   45.294843
Au        4.945733    4.580998   43.137410
Au        6.484579    2.106851   47.662520
Au        0.156984   -1.556935   48.037888
Au        7.358520    0.909973   45.114080
Au        3.432294    2.627577   47.409827
Au        4.889449    0.320828   46.388250
Au        7.466723    3.432863   43.770208
P         4.360759    5.773762   41.229038
P         7.746893    3.400333   49.110536
P        -1.219514    0.044063   47.104651
P         8.890360   -0.747291   44.487340
P         2.151801    6.645564   45.132475
P         1.468695    0.202326   43.451248
P         3.275626    2.772783   49.752494
P         9.669250    3.597766   42.997663
C         6.117439    3.520327   51.460152
C         2.897704    8.062237   42.160406
H         6.790516   -0.985078   52.309107
C         6.163014   -0.247415   51.808123
C         6.488609    1.106608   51.880332
C         5.697431    2.094552   51.265458
C         4.515055    1.691858   50.594098
C         4.215280    0.316185   50.505094
H         3.326325   -0.021573   49.969710
C         5.025506   -0.645585   51.104272
H         4.751436   -1.698143   51.032413
C         0.998282   -3.009272   49.100591
C         1.092495   -3.999937   49.824348
H         1.532724   -8.856894   52.138824
C         1.929138    9.061613   41.969039
H         7.364660    1.422872   52.448968
C         1.017750    9.005742   40.914671
C         1.059103    7.930923   40.027070
C         2.980932    7.003935   41.221447
H        12.595265    0.105511   45.228948
C         3.823411    8.232400   43.326958
C         5.588650    8.829608   45.446652
H        12.839944    1.282345   42.122405
H         6.257695    9.062718   46.275552
H        -1.856020   -1.993102   42.535386
H        -4.019534   -0.844161   42.142805
C         5.839290    9.336640   44.171265
C         4.961800    9.035268   43.130630
C         7.273709    5.568786   50.823954
H         7.898191    6.135394   50.135025
C         0.732392   -4.057867   45.155302
C        -0.353292   -3.188478   45.089180
C        -0.230782   -1.879436   44.587141
C         1.038658   -1.453378   44.126693
C         2.134831   -2.336542   44.223389
H         3.123703   -2.015649   43.891905
C         1.986702   -3.627475   44.721168
H         2.846810   -4.295680   44.767027
H         5.111613    3.606649   53.360213
H         5.735027    5.962059   53.835227
C        10.854570    2.855337   44.209979
C        11.256591    3.721120   45.247827
H        10.918460    4.757385   45.252098
C        12.111071    3.301645   46.265706
H        12.429864    4.007983   47.033346
C        12.584159    1.989178   46.270214
C        12.188869    1.117641   45.256422
C        11.315320    1.512970   44.226222
H        -1.335625   -3.524264   45.423045
C        -1.500019   -1.090160   44.458304
C        -2.025543   -0.233384   45.454968
C        -3.247494    0.421510   45.205571
H        -3.672619    1.085528   45.957824
C        -3.958528    0.224741   44.022808
H        -4.909849    0.735097   43.868970
C        -3.459827   -0.653180   43.059327
C        -2.244548   -1.298060   43.281822
C         9.999296   -1.327880   41.980228
H         9.221876   -2.087283   41.924776
C        10.077433   -0.469393   43.094928
C        11.091164    0.523770   43.118616
C        12.029839    0.552757   42.072664
C        11.952900   -0.320632   40.988302
C        10.916917   -1.251601   40.932049
H        10.832670   -1.937758   40.088928
H        12.699512   -0.273029   40.194765
C         6.827023    6.201055   51.984872
H         7.099361    7.239697   52.174786
H        13.279045    1.651528   47.040043
H         2.067208    6.137500   39.449265
H         0.598581   -5.063520   45.552287
C         3.550813    7.747697   44.630512
C         4.460437    8.042372   45.665777
H         4.281898    7.658523   46.670288
H         1.898429    9.898419   42.668847
H         0.279690    9.798426   40.789060
C         6.061523    5.489076   52.908487
C         5.713557    4.164415   52.640995
H         6.701451    9.979161   43.989303
H         5.133609    9.458149   42.139607
H         0.347527    7.865296   39.203464
C         2.038140    6.947461   40.175981
C         6.948780    4.225334   50.553921
C         1.080410   -5.191372   50.674598
C         2.378016   -6.853081   52.093792
C         2.481647   -5.636180   51.161380
C         0.353551   -6.375111   49.982338
C         0.257149   -7.590878   50.913895
C         1.636883   -8.022626   51.429593
H         0.492408   -4.932476   51.576488
H         1.842044   -6.557953   53.012271
H         3.384117   -7.168611   52.409349
H         3.097493   -5.886915   50.281015
H         2.976886   -4.797835   51.674641
H         0.914858   -6.642895   49.071230
H        -0.646674   -6.051119   49.659776
H        -0.232779   -8.423924   50.387584
H        -0.392310   -7.340443   51.770254
H         2.238209   -8.402693   50.585776
C        -0.541308    1.757598   46.958583
H        -0.251958    2.099723   47.960577
H         0.361674    1.748219   46.328334
H        -1.285214    2.446796   46.535887
C        -2.635977    0.280660   48.261903
H        -3.255527    1.151157   48.013131
H        -3.254320   -0.624911   48.268500
H        -2.218412    0.414370   49.267768
C         0.021111    1.040135   42.696497
H        -0.441305    0.402804   41.932866
H        -0.727002    1.300741   43.451190
H         0.398157    1.960535   42.230893
C         2.513845   -0.143808   41.972486
H         2.703592    0.809875   41.463493
H         3.477213   -0.574455   42.263345
H         1.993491   -0.831652   41.292942
C         3.930813    4.542520   39.930818
H         4.739625    3.801694   39.900710
H         2.997378    4.028386   40.188592
H         3.839428    5.007713   38.940717
C         5.783575    6.671626   40.481144
H         6.173395    7.410186   41.189955
H         6.571471    5.942131   40.254253
H         5.467219    7.174292   39.557630
C         1.559230    7.348907   46.728949
H         0.660140    6.793083   47.024695
H         2.309770    7.234534   47.517498
H         1.310391    8.411932   46.611107
C         0.677339    6.860960   44.061694
H        -0.121908    6.261678   44.518602
H         0.364558    7.911165   44.019003
H         0.863115    6.488575   43.049924
C        10.254852    5.329389   42.762377
H        10.047801    5.946832   43.642740
H        11.329221    5.351157   42.536530
H         9.696796    5.749804   41.915914
C         9.897755    2.888356   41.320017
H         9.260174    3.474072   40.643948
H        10.941771    2.969018   40.994025
H         9.578898    1.842307   41.286475
C         9.885938   -1.394679   45.893870
H        10.532945   -2.213004   45.550662
H        10.495730   -0.597427   46.329726
H         9.190209   -1.770316   46.655661
C         7.908763   -2.226767   44.003755
H         7.252114   -2.463892   44.850608
H         7.281845   -2.009789   43.130935
H         8.553854   -3.091320   43.799064
C         9.164130    2.467475   49.817831
H         9.750115    3.125090   50.474243
H         8.796007    1.609074   50.389900
H         9.791064    2.106786   48.992462
C         8.559530    4.736437   48.146686
H         9.065723    4.256408   47.299412
H         7.808237    5.431970   47.754354
H         9.301208    5.277264   48.748742
C         1.659585    2.201171   50.422421
H         0.881685    2.885166   50.058301
H         1.427442    1.185117   50.082338
H         1.680721    2.224818   51.520364
C         3.350179    4.508050   50.348757
H         2.506084    5.028461   49.876156
H         3.245494    4.564168   51.438703
H         4.282539    4.992227   50.041966

161
Au10T-I17
Au        2.689267    1.144232   44.645405
Au        5.458067    1.364188   44.705421
Au        3.392073    3.690276   45.023245
Au        4.512347    2.767511   42.567811
Au        6.746323    1.244025   47.704533
C        11.029838   -0.960540   45.796786
Au        8.040249    0.722786   45.121846
Au        3.985479    1.320369   47.111407
Au        5.894781   -0.903786   46.266456
Au        7.248549    2.309349   42.824785
P         3.019196    3.630672   40.972595
P         7.573609    2.795695   49.262999
H        10.956484   -0.653950   46.848112
P        10.301350    0.383704   44.770104
P         3.419820    5.982651   45.151265
H        10.478159   -1.898098   45.672017
P         2.971346    1.735071   49.180861
P         8.972282    3.050058   41.391591
C         5.304897    3.482583   50.917482
C         1.796140    5.934207   42.245547
H         5.959035   -0.103326   53.754203
C         5.416984    0.258248   52.880064
C         5.692949    1.523117   52.361224
C         5.004805    2.046494   51.250799
C         3.970593    1.265691   50.667035
C         3.708713   -0.012228   51.201901
H         2.911338   -0.623718   50.782087
C         4.417276   -0.515672   52.292591
H         4.164947   -1.496145   52.697631
H        12.083919   -1.114945   45.529625
C         8.597522    2.052577   50.602831
H         8.963250    2.832208   51.284464
C         0.649483    6.642315   42.646458
H         6.436010    2.152904   52.852303
C        -0.635842    6.119369   42.498618
C        -0.796850    4.856184   41.934498
C         1.626336    4.665216   41.626231
H        13.640163    1.543321   42.557912
C         3.097597    6.678276   42.363765
C         5.379261    8.350098   42.414949
H        12.008461    0.692300   40.002868
H         6.255525    8.998094   42.450724
H         8.014188    1.315533   51.163499
H         9.452885    1.546229   50.135635
C         4.617243    8.250102   41.252840
C         3.493520    7.423110   41.239087
C         6.583375    5.321371   49.966977
H         7.399473    5.694905   49.351955
C         8.797736    3.902380   48.444046
H         9.558228    3.250783   47.996252
H         8.326002    4.475193   47.637621
H         9.286002    4.578942   49.157496
C         1.400836    0.786305   49.331330
H         0.718116    1.182183   48.568161
H         1.553188   -0.277867   49.121784
H         0.951038    0.913927   50.324981
H         3.737564    4.088184   52.260058
H         4.140065    6.520906   52.011559
C        10.730840    3.226196   41.956214
C        11.227581    4.529942   42.156606
H        10.575523    5.390734   42.020773
C        12.559706    4.762799   42.500555
H        12.912456    5.785447   42.636478
C        13.437906    3.687564   42.629242
C        12.957935    2.389372   42.458135
C        11.608824    2.129657   42.161586
C         2.373776    3.465138   49.352409
H         1.658841    3.630045   48.535237
H         1.869984    3.614229   50.316267
H         3.201533    4.173017   49.255692
C         4.943616   -4.933827   46.019137
C         4.144618   -5.995579   46.481453
C         2.786059   -6.081485   46.178942
C         2.194744   -5.096303   45.388743
C         2.972401   -4.047566   44.896989
C        10.390977   -1.473772   42.753302
H         9.946567   -2.103657   43.524353
C        10.679569   -0.121814   43.033363
C        11.225285    0.687789   42.006085
C        11.538711    0.080845   40.774457
C        11.275836   -1.263998   40.523157
C        10.679906   -2.043638   41.516119
H        10.461810   -3.096723   41.336664
H        11.539368   -1.700788   39.559402
C         5.782441    6.252064   50.629284
H         5.985406    7.317725   50.517915
H        14.490820    3.855279   42.858224
H         0.163680    3.172024   41.044304
C         4.346798   -3.950471   45.186413
C         3.854593    6.815229   43.559260
C         4.995302    7.640424   43.552836
H         5.595336    7.754739   44.453354
H         0.776912    7.646923   43.052158
H        -1.502409    6.705213   42.807042
C         4.753761    5.808794   51.458999
C         4.527767    4.439628   51.595069
H         4.881058    8.825817   40.365042
H         2.874917    7.373124   40.342397
H        -1.791206    4.428638   41.804466
C         0.323621    4.145578   41.502945
C         6.379514    3.934247   50.107163
C         6.395117   -4.985748   46.392812
C         7.131877   -6.074338   45.889820
C         8.475582   -6.267664   46.208967
C         9.115267   -5.366623   47.060439
C         8.400344   -4.291127   47.588454
C         7.041881   -4.083682   47.279256
H         4.609416   -6.764483   47.100157
H         2.196144   -6.917273   46.555737
H         1.134873   -5.149917   45.138287
H         2.494352   -3.304534   44.260491
H         6.627182   -6.781785   45.230290
H         9.014261   -7.124312   45.803043
H        10.160872   -5.510974   47.334578
H         8.911230   -3.618989   48.276452
P         6.210833   -2.603352   47.997896
P         5.281980   -2.513438   44.510349
C         4.646885   -3.183490   48.778798
H         4.840841   -4.041239   49.436392
H         4.253510   -2.348307   49.372652
H         3.910849   -3.462148   48.018328
C         7.217547   -2.161851   49.476235
H         8.174324   -1.720541   49.176826
H         6.649222   -1.401396   50.027754
H         7.389241   -3.033028   50.123316
C         4.256855   -1.883889   43.116931
H         4.862714   -1.133572   42.592496
H         3.973407   -2.688226   42.424607
H         3.359132   -1.377755   43.497011
C         6.727883   -3.215454   43.606619
H         6.396652   -3.979820   42.891208
H         7.216528   -2.392044   43.069693
H         7.438339   -3.660870   44.310052
C         2.217025    2.224014   40.097115
H         3.020159    1.647187   39.620438
H         1.698528    1.566144   40.803859
H         1.519638    2.571043   39.322438
C         3.776966    4.544214   39.563077
H         4.380428    5.381559   39.925499
H         4.425155    3.839263   39.026056
H         2.999572    4.913109   38.880621
C         4.652609    6.565609   46.382826
H         4.378095    6.120979   47.347594
H         5.657368    6.217659   46.117231
H         4.640508    7.659932   46.476879
C         1.858783    6.721623   45.779191
H         1.725959    6.400063   46.820216
H         1.919536    7.817655   45.738500
H         1.007248    6.373310   45.186938
C         8.509177    4.737322   40.812719
H         8.388758    5.424355   41.657767
H         9.242870    5.137936   40.100514
H         7.535318    4.641999   40.315647
C         9.026423    2.125680   39.799445
H         8.035543    2.212042   39.334646
H         9.782946    2.557098   39.131400
H         9.242831    1.067523   39.970943
C        11.308561    1.832483   45.270453
H        12.373906    1.654988   45.080230
H        10.987225    2.738034   44.747037
H        11.150623    1.964332   46.349008

219
Au10T-I2
Au        2.558028    0.702715   44.190707
Au        5.338833    1.507171   44.598888
Au        3.262348    3.407157   44.616394
Au        5.343926    3.404676   42.616884
Au        6.291893    0.517798   47.178408
Au        2.169640   -1.399716   46.394392
Au        7.689981   -0.046317   44.687143
Au        3.444211    1.376701   46.691933
Au        5.244750   -1.247157   45.340835
Au        7.678834    2.792152   44.008920
P         5.019208    4.613898   40.635839
P         7.511666    0.996795   49.148011
P        -0.124156   -1.005621   46.286981
P         9.878177   -0.530052   44.047958
P         2.466755    5.570594   44.286131
P         1.185555    0.167007   42.329290
P         3.415600    2.130349   48.923142
P         9.682534    3.998241   44.101408
C         5.950165    2.239658   51.224025
C         3.288062    6.833450   41.237360
H         4.325449   -1.655596   53.127748
C         4.231417   -0.949243   52.302580
C         5.076384    0.155876   52.233273
C         4.979590    1.101158   51.193456
C         3.961947    0.936280   50.225096
C         3.154547   -0.217062   50.276654
H         2.413910   -0.386524   49.492281
C         3.278783   -1.150180   51.301520
H         2.629213   -2.024971   51.323652
C         3.886052   -2.418464   46.837877
C         4.372161   -3.376189   47.459090
H         5.706809   -7.210247   50.993507
C         2.248398    7.713842   40.893151
H         5.840830    0.301778   52.997368
C         1.442281    7.498094   39.775577
C         1.671680    6.382538   38.971001
C         3.562062    5.732871   40.384276
H        13.662107    1.027382   43.389549
C         4.092296    7.187000   42.454599
C         5.645250    8.114033   44.625742
H        12.256743    2.991314   41.258507
H         6.231755    8.469129   45.473778
H        -2.627009    1.734527   42.840370
H        -2.839334    3.686707   44.356575
C         5.901550    8.585857   43.337518
C         5.132444    8.118461   42.273320
C         7.937117    3.433443   50.494934
H         8.813598    3.523504   49.855426
C        -2.693919   -2.423326   42.219856
C        -2.618743   -1.327869   43.079350
C        -1.435702   -0.583811   43.222883
C        -0.319503   -0.909206   42.410271
C        -0.404206   -2.030981   41.564013
H         0.441900   -2.314247   40.940234
C        -1.570963   -2.792480   41.479508
H        -1.606729   -3.655313   40.814054
H         4.904394    3.143475   52.873115
H         6.442831    5.082295   53.074079
C        11.314978    3.230441   44.520009
C        12.039991    3.733864   45.617975
H        11.615489    4.518077   46.242134
C        13.322782    3.273287   45.917236
H        13.864066    3.691754   46.766065
C        13.915750    2.305913   45.105705
C        13.201983    1.783021   44.027441
C        11.894196    2.202651   43.732264
H        -3.489246   -1.043873   43.673054
C        -1.455663    0.549950   44.202223
C        -0.902133    0.486769   45.505245
C        -0.990059    1.622862   46.332172
H        -0.548539    1.602914   47.327539
C        -1.661358    2.774428   45.926955
H        -1.742122    3.623484   46.606613
C        -2.268429    2.812506   44.671295
C        -2.153383    1.712506   43.823030
C         9.946711   -0.098737   41.337283
H         9.311327   -0.986351   41.336873
C        10.434013    0.417232   42.556615
C        11.243628    1.580564   42.529843
C        11.583531    2.132999   41.279516
C        11.113807    1.595990   40.081894
C        10.277650    0.479145   40.114157
H         9.902432    0.041930   39.188213
H        11.410835    2.040534   39.131669
C         7.705824    4.431224   51.443288
H         8.390941    5.276131   51.518166
H        14.930019    1.960998   45.306992
H         2.907588    4.678490   38.602591
H        -3.622714   -2.988070   42.135674
C         3.798710    6.750979   43.770957
C         4.608234    7.207393   44.830617
H         4.419874    6.857671   45.845744
H         2.075299    8.586598   41.525321
H         0.643776    8.200437   39.534306
C         6.618622    4.324533   52.310241
C         5.756378    3.233644   52.197016
H         6.684558    9.323989   43.161899
H         5.314199    8.500983   41.267871
H         1.050237    6.194755   38.094636
C         2.726843    5.519206   39.270225
C         7.084591    2.319684   50.376110
C         4.916681   -4.532287   48.160691
C         4.333979   -6.688369   49.389991
C         3.771261   -5.451098   48.677369
C         5.865931   -4.146416   49.322696
C         6.414615   -5.392029   50.032708
C         5.286147   -6.305697   50.530948
H         5.499854   -5.124163   47.428368
H         4.870119   -7.316664   48.658725
H         3.502966   -7.298860   49.772862
H         3.146321   -4.867773   49.373754
H         3.127850   -5.743975   47.835153
H         5.304008   -3.521591   50.036273
H         6.685854   -3.525263   48.932204
H         7.059808   -5.088101   50.870845
H         7.056578   -5.956014   49.333794
H         4.717910   -5.786268   51.322162
C         9.460948    5.355485   45.327911
H         9.315181    4.952810   46.336883
H        10.305002    6.057095   45.322410
H         8.546610    5.890523   45.040529
C        10.009137    4.958086   42.561029
H         9.145311    5.610217   42.381128
H        10.915568    5.567908   42.674225
H        10.126256    4.277103   41.711769
C        10.151784   -2.288703   43.583839
H         9.910580   -2.900738   44.462897
H         9.494070   -2.605577   42.763127
H        11.201117   -2.445720   43.299322
C        11.084827   -0.334799   45.421433
H        10.773481   -1.037722   46.205400
H        12.101400   -0.587399   45.097167
H        11.070728    0.683046   45.823379
C        -0.927566   -2.525060   45.635181
H        -2.020473   -2.440771   45.676309
H        -0.609057   -2.738425   44.610955
H        -0.599787   -3.347944   46.284305
C        -0.796422   -0.974246   48.005368
H        -0.531891   -1.928805   48.478192
H        -0.354043   -0.166520   48.597179
H        -1.888555   -0.861615   47.990246
C         0.561434    1.732231   41.578514
H        -0.011420    1.518105   40.666113
H        -0.071665    2.262895   42.296991
H         1.429387    2.361369   41.341158
C         2.171480   -0.519239   40.932567
H         3.019576    0.160811   40.781150
H         2.569087   -1.510867   41.174957
H         1.579599   -0.571521   40.008971
C         7.775317   -0.527436   50.148929
H         8.422078   -0.315212   51.010301
H         6.818143   -0.929774   50.493110
H         8.256126   -1.271082   49.500482
C         9.236793    1.397063   48.639856
H         9.588364    0.552328   48.035092
H         9.258430    2.292167   48.008317
H         9.899794    1.524471   49.506112
C         1.751469    2.627920   49.551253
H         1.312061    3.349307   48.851176
H         1.098551    1.751374   49.621408
H         1.839415    3.084074   50.546985
C         4.325855    3.722061   49.019958
H         3.822723    4.392738   48.311157
H         4.296546    4.157158   50.025951
H         5.363948    3.592534   48.698474
C         1.729319    6.367437   45.778292
H         0.850219    5.776594   46.065627
H         2.431541    6.370440   46.618406
H         1.423342    7.398736   45.556678
C         1.049393    5.632049   43.120013
H         0.258709    5.017270   43.570629
H         0.684660    6.657289   42.985920
H         1.318183    5.208269   42.148193
C         6.477180    5.651965   40.189492
H         6.318137    6.139869   39.219078
H         6.644950    6.410253   40.960529
H         7.355798    4.996860   40.134913
C         4.968087    3.438826   39.217240
H         4.087463    2.789262   39.278295
H         4.979919    3.961675   38.251722
H         5.863915    2.809489   39.293367
C         6.805539   -5.280011   42.853669
C         7.714098   -6.279436   43.246668
C         8.341284   -6.262150   44.492907
C         8.068552   -5.226181   45.385531
C         7.160530   -4.230302   45.022801
C         6.511191   -4.239796   43.774603
C         6.155388   -5.457878   41.510359
C         4.974240   -6.216463   41.451653
C         4.344504   -6.487663   40.234994
C         4.903186   -6.005429   39.051180
C         6.095508   -5.279147   39.092774
C         6.751160   -5.003917   40.305830
H         7.912380   -7.098428   42.553960
H         9.032763   -7.061032   44.763849
H         8.551208   -5.198276   46.363593
H         6.935552   -3.420375   45.720493
H         4.556079   -6.614549   42.378022
H         3.433851   -7.086976   40.213344
H         4.429003   -6.215588   38.091566
H         6.527353   -4.937240   38.152482
P         8.346825   -4.038265   40.369229
P         5.285314   -2.872602   43.539115
C         9.613458   -5.406519   40.304194
H         9.401603   -6.126136   39.502763
H        10.598868   -4.952836   40.128171
H         9.647603   -5.930937   41.266309
C         8.513219   -3.419876   38.620806
H         8.525587   -4.221061   37.868730
H         7.709455   -2.710223   38.385440
H         9.471338   -2.885910   38.558747
C         3.638108   -3.685374   43.396398
H         3.584258   -4.345968   42.522745
H         3.448634   -4.253653   44.316045
H         2.875985   -2.896381   43.326378
C         5.568115   -2.132564   41.876900
H         5.002925   -1.193758   41.829241
H         6.636266   -1.904729   41.771765
H         5.264634   -2.809644   41.069431

219
Au10T-I3
Au        2.336141    1.325446   45.258077
Au        4.944319    2.321637   45.246710
Au        2.881111    4.152927   45.152698
Au        5.131146    4.367605   43.414929
Au        6.599783    1.979891   47.479020
Au        1.935502   -2.286143   48.802506
Au        6.977437    0.370194   45.205719
Au        3.159288    2.504859   47.573217
Au        4.607525    0.031620   46.863230
Au        7.436961    3.100516   44.416777
P         5.045794    5.932225   41.653210
P         8.002077    2.775204   49.165786
P         0.047174    0.665837   45.740026
P         8.538937   -0.891440   44.004475
P         1.712126    6.114666   44.730260
P         2.357373    0.463927   42.969917
P         3.576787    3.352318   49.716825
P         9.639354    3.601949   43.760578
C         6.515536    3.696379   51.452321
C         2.849066    7.780149   41.993020
H         5.960595   -0.570551   53.164541
C         5.570577    0.181885   52.478239
C         6.214010    1.411676   52.355993
C         5.742170    2.415106   51.487798
C         4.550914    2.176493   50.763042
C         3.937294    0.911874   50.864901
H         3.054625    0.693421   50.259242
C         4.435094   -0.076837   51.708516
H         3.936714   -1.044800   51.762012
C         3.698965   -1.785972   47.936042
C         4.899467   -2.052435   47.662948
H         9.107820   -5.253640   48.689596
C         1.751061    8.490825   41.479387
H         7.107834    1.616594   52.947653
C         1.238925    8.236356   40.207494
C         1.829607    7.250813   39.417946
C         3.491014    6.821752   41.165596
H        12.320103   -0.499572   42.583474
C         3.305552    8.166954   43.369881
C         4.170057    9.168964   45.866933
H        11.157420    1.796743   40.589690
H         4.496350    9.546188   46.836580
H        -1.718144    0.474451   41.033473
H        -3.140042    2.486502   41.302516
C         4.573703    9.798771   44.688718
C         4.143992    9.294332   43.462888
C         8.162984    5.229839   50.534470
H         8.913161    5.490052   49.790390
C        -0.489986   -3.163887   42.258565
C        -1.029007   -1.906614   42.529548
C        -0.215800   -0.783821   42.769813
C         1.193348   -0.937239   42.683181
C         1.720725   -2.214901   42.417702
H         2.798454   -2.356380   42.355648
C         0.894609   -3.320775   42.214066
H         1.334916   -4.296259   42.005212
H         5.570332    4.363493   53.265931
H         6.787628    6.526435   53.367539
C        11.018120    2.366221   43.903875
C        12.069160    2.649048   44.799662
H        12.040385    3.549311   45.410415
C        13.184813    1.818327   44.908962
H        13.985521    2.075681   45.603141
C        13.285049    0.687335   44.100162
C        12.245103    0.381053   43.223472
C        11.090367    1.177510   43.130327
H        -2.111926   -1.781902   42.572523
C        -0.942328    0.502499   43.039916
C        -0.986497    1.167448   44.295524
C        -1.801094    2.308198   44.428405
H        -1.861095    2.821348   45.387598
C        -2.569779    2.789730   43.368156
H        -3.208993    3.661901   43.511996
C        -2.535724    2.132629   42.138206
C        -1.734322    1.001157   41.988808
C         8.166130   -0.528497   41.294652
H         7.329010   -1.203697   41.467798
C         9.000621   -0.155056   42.368219
C        10.069596    0.743116   42.116423
C        10.295733    1.158468   40.790265
C         9.475702    0.759294   39.736494
C         8.392731   -0.080894   39.995177
H         7.741547   -0.411017   39.185233
H         9.692284    1.089919   38.720175
C         7.902371    6.146783   51.553853
H         8.441626    7.094035   51.579107
H        14.168184    0.049549   44.145007
H         3.408543    5.824321   39.238799
H        -1.150790   -4.013450   42.083515
C         2.852358    7.563153   44.568664
C         3.322423    8.066687   45.799119
H         3.009206    7.595194   46.730805
H         1.293907    9.261366   42.102331
H         0.387316    8.807664   39.837301
C         6.977481    5.831989   52.548589
C         6.296019    4.615650   52.490908
H         5.210547   10.683097   44.722140
H         4.443836    9.792601   42.539965
H         1.442660    7.032742   38.422197
C         2.946722    6.561862   39.892181
C         7.498773    3.989998   50.473583
C         6.183468   -2.777418   47.613824
C         7.252394   -5.090211   47.565507
C         5.931873   -4.307421   47.577667
C         7.094954   -2.398566   48.807023
C         8.406413   -3.196227   48.788008
C         8.154321   -4.709376   48.746393
H         6.710774   -2.489501   46.685049
H         7.787103   -4.895005   46.618625
H         7.038485   -6.168806   47.578232
H         5.344372   -4.581528   48.468669
H         5.316992   -4.560689   46.702263
H         6.546390   -2.605364   49.740293
H         7.288072   -1.315376   48.782953
H         9.013126   -2.933147   49.667177
H         9.000078   -2.902734   47.903534
H         7.672937   -5.022831   49.687809
C        -0.779944    1.413248   47.207512
H        -0.300307    0.975580   48.092932
H        -0.613713    2.495618   47.235656
H        -1.855967    1.193480   47.229747
C        -0.261248   -1.127214   46.017859
H        -1.338095   -1.325309   46.102920
H         0.161732   -1.725715   45.205534
H         0.251095   -1.403878   46.954166
C         1.941790    1.718515   41.684101
H         1.979717    1.272357   40.681122
H         0.941046    2.124403   41.865810
H         2.676519    2.530724   41.769000
C         3.995268   -0.145044   42.391677
H         4.671874    0.719725   42.411914
H         4.387362   -0.890561   43.093537
H         3.944923   -0.559750   41.375316
C         5.593339    5.081696   40.112234
H         6.577784    4.646436   40.324732
H         4.913150    4.262221   39.852877
H         5.681023    5.778462   39.268140
C         6.320779    7.256979   41.805349
H         6.168646    7.829057   42.725993
H         7.303562    6.770479   41.849888
H         6.284270    7.929043   40.937965
C         0.518703    6.640900   46.034401
H        -0.265944    5.875772   46.095583
H         1.004671    6.712570   47.012686
H         0.068674    7.609253   45.778184
C         0.612172    5.962350   43.269325
H        -0.098871    5.157926   43.501576
H         0.064886    6.894076   43.081103
H         1.180391    5.682590   42.377359
C        10.250036    5.082675   44.674817
H        10.308625    4.887143   45.751061
H        11.228388    5.415065   44.302673
H         9.512827    5.879785   44.515547
C         9.722781    4.223560   42.024819
H         9.120294    5.139686   41.977142
H        10.758802    4.454791   41.743850
H         9.306031    3.485394   41.333105
C        10.048152   -1.222909   44.999683
H        10.784091   -1.801619   44.427865
H        10.501936   -0.290833   45.348317
H         9.723212   -1.807071   45.871230
C         8.002691   -2.606195   43.586201
H         7.900365   -3.155235   44.531436
H         7.029336   -2.612720   43.085242
H         8.748520   -3.104441   42.953037
C         8.809117    1.394577   50.080282
H         9.533596    1.793526   50.802855
H         8.057042    0.794322   50.601443
H         9.326184    0.760554   49.348762
C         9.448737    3.563582   48.343522
H         9.841639    2.830841   47.627263
H         9.128902    4.452485   47.787792
H        10.235191    3.825866   49.063534
C         2.079591    3.652731   50.751855
H         1.424107    4.361684   50.229559
H         1.535329    2.712762   50.897806
H         2.361774    4.064736   51.730016
C         4.342544    5.018926   49.640743
H         3.631176    5.650408   49.092048
H         4.518968    5.445109   50.634616
H         5.280251    4.983326   49.077298
C        -0.855913   -0.190345   52.330973
C        -2.245070   -0.212169   52.463481
C        -2.986763   -1.171019   51.774937
C        -2.382007   -2.143593   50.955010
C        -0.972497   -2.105018   50.810471
C        -0.236661   -1.120787   51.499419
H        -0.258592    0.546171   52.869575
H        -2.752410    0.513697   53.100164
H        -4.073554   -1.183864   51.869190
H         0.849070   -1.090291   51.377509
C        -3.314234   -3.081782   50.241248
C        -3.711859   -4.330734   50.782768
C        -3.884562   -2.633071   49.039491
C        -4.637473   -5.102372   50.057526
C        -4.806012   -3.413936   48.338480
H        -3.603185   -1.649502   48.657562
C        -5.177626   -4.658179   48.848643
H        -4.956003   -6.069445   50.446459
H        -5.239585   -3.047471   47.407037
H        -5.901165   -5.278373   48.317876
P         0.108191   -3.276875   49.878557
P        -2.931156   -4.936712   52.364916
C        -4.016251   -4.131973   53.651592
H        -3.809066   -3.056476   53.699144
H        -5.083627   -4.293919   53.451018
H        -3.760589   -4.570143   54.626129
C        -3.561868   -6.679568   52.490329
H        -3.160369   -7.294040   51.674018
H        -3.178700   -7.090729   53.434492
H        -4.658067   -6.753755   52.503452
C         0.700952   -4.458454   51.153694
H         1.336976   -3.931752   51.874974
H        -0.168866   -4.884043   51.677901
H         1.287458   -5.248750   50.666827
C        -0.844867   -4.321532   48.713453
H        -1.591583   -4.926348   49.239376
H        -1.347407   -3.702019   47.963244
H        -0.121336   -4.977447   48.211029

219
Au10T-I4
Au        2.932866    1.551949   45.004379
Au        5.552883    2.542984   45.219055
Au        3.452703    4.381664   45.130886
Au        5.552064    4.439931   43.197939
Au        6.402725    1.187541   47.659084
Au        3.756052   -2.131944   47.729614
Au        7.936807    1.132960   45.216727
Au        3.799505    2.648367   47.402827
Au        5.438014   -0.292318   45.558594
Au        7.842910    3.957804   44.684429
P         5.180878    5.519241   41.147963
P         7.268101    1.225724   49.851426
P         4.923586   -1.138305   43.363570
P        10.156366    0.713765   44.621457
P         2.403257    6.409598   44.641935
P         1.156791    0.559181   43.812263
P         3.562248    3.439994   49.596117
P         9.800293    5.223845   44.896201
C         6.117239    3.036924   51.814664
C         3.209307    7.580217   41.550849
H         3.612829   -0.089030   54.125913
C         3.660324    0.548694   53.242593
C         4.760824    1.379346   53.045790
C         4.865915    2.222429   51.922810
C         3.781666    2.271767   51.012418
C         2.696875    1.391318   51.202622
H         1.872426    1.380786   50.487907
C         2.631113    0.533846   52.298217
H         1.764459   -0.123537   52.415147
C         5.642552   -2.111734   46.912297
C         6.610453   -2.890244   46.989819
H        11.247826   -5.639724   46.734702
C         2.103085    8.327765   41.113009
H         5.579166    1.376385   53.767567
C         1.371755    7.964115   39.982356
C         1.745280    6.830819   39.260758
C         3.627940    6.463981   40.781458
H        13.894390    2.426327   44.099013
C         3.923179    8.083954   42.770848
C         5.295202    9.279076   44.931981
H        12.456018    4.442895   42.042287
H         5.814639    9.735018   45.775750
H         0.599832   -3.200842   41.632752
H         0.944087   -5.260934   42.966061
C         5.547955    9.706818   43.627846
C         4.868684    9.107308   42.568723
C         8.324450    3.564478   50.947741
H         9.167107    3.345328   50.293572
C         1.801465   -0.141495   39.239319
C         2.144729   -1.156757   40.130972
C         2.001745   -1.003754   41.521501
C         1.446754    0.202475   42.020000
C         1.117212    1.223723   41.107048
H         0.692912    2.160507   41.465633
C         1.291827    1.059804   39.733249
H         1.004289    1.860828   39.051342
H         5.420751    4.353654   53.366267
H         7.431719    5.809021   53.348160
C        11.446973    4.477365   45.305676
C        12.127862    4.928478   46.453157
H        11.661497    5.653966   47.117302
C        13.417220    4.488583   46.757039
H        13.921929    4.864752   47.647396
C        14.063886    3.598270   45.900406
C        13.394482    3.124860   44.772071
C        12.079660    3.519088   44.472539
H         2.536735   -2.101698   39.751001
C         2.347208   -2.184269   42.374865
C         3.486500   -2.294385   43.207863
C         3.633820   -3.450670   44.003720
H         4.492679    3.521387   39.899415
C         2.731619   -4.508920   43.932064
H         2.886410   -5.397699   44.544860
C         1.645956   -4.431185   43.056356
C         1.459998   -3.277013   42.299675
C        10.227066    1.298737   41.939343
H         9.602938    0.405953   41.890539
C        10.693412    1.758082   43.187899
C        11.470807    2.942081   43.228268
C        11.807913    3.565720   42.011584
C        11.365359    3.078443   40.783110
C        10.556016    1.941969   40.749033
H        10.200629    1.542411   39.798616
H        11.661969    3.576608   39.859597
C         8.407460    4.679483   51.780887
H         9.297533    5.308841   51.757246
H        15.084552    3.274161   46.105745
H         3.157514    5.239832   39.052080
H         1.921507   -0.294301   38.166315
C         3.626725    7.690557   44.099920
C         4.348861    8.282119   45.156140
H         4.160532    7.968372   46.183181
H         1.816554    9.214485   41.680744
H         0.518998    8.565707   39.666557
C         7.366602    4.960271   52.666759
C         6.239797    4.140174   52.677313
H         6.259156   10.510577   43.435049
H         5.048055    9.451036   41.548908
H         1.184404    6.528726   38.375894
C         2.866223    6.098314   39.654348
C         7.202475    2.711258   50.961204
C         7.728950   -3.821290   47.102440
C        10.110752   -4.218300   47.921939
C         8.978075   -3.192436   47.770595
C         8.102566   -4.483268   45.750010
C         9.237592   -5.502803   45.919036
C        10.471067   -4.877121   46.583209
H         7.378118   -4.632758   47.771661
H         9.797054   -4.997659   48.637105
H        10.995251   -3.734467   48.363070
H         9.311435   -2.343692   47.148221
H         8.696879   -2.779617   48.751037
H         8.412121   -3.689800   45.048548
H         7.211595   -4.964987   45.321036
H         9.501654   -5.928326   44.939849
H         8.879166   -6.344445   46.535522
H        10.907617   -4.121311   45.906373
C         6.317390   -2.203093   42.781609
H         7.222914   -1.582971   42.758871
H         6.479400   -3.028496   43.483199
H         6.113161   -2.604275   41.780303
C         4.878488    0.124194   42.026897
H         4.754211   -0.329521   41.036108
H         4.084359    0.854664   42.209575
H         5.841681    0.649003   42.083571
C         0.415540   -0.934970   44.585744
H        -0.406247   -1.320847   43.969012
H         1.171554   -1.712220   44.730504
H         0.030164   -0.627314   45.567007
C        -0.278214    1.716878   43.814278
H        -0.612587    1.814091   44.855057
H         0.018539    2.709667   43.459805
H        -1.101707    1.329040   43.200115
C         5.298769    4.258913   39.809662
H         6.255345    3.739157   39.948636
H         4.479590   -3.521269   44.690682
H         5.283571    4.716497   38.811536
C         6.543118    6.673204   40.685024
H         6.616737    7.481641   41.419912
H         7.481786    6.104292   40.684593
H         6.365502    7.094858   39.686869
C         1.515281    7.218995   46.042796
H         0.690302    6.558357   46.339999
H         2.175069    7.356404   46.905586
H         1.111940    8.192788   45.734524
C         1.045523    6.239383   43.415496
H         0.294360    5.586421   43.880214
H         0.587849    7.208697   43.184418
H         1.404125    5.772731   42.492932
C         9.511061    6.489893   46.203074
H         9.356637    6.013861   47.178486
H        10.333344    7.215338   46.262264
H         8.587059    7.015619   45.931320
C        10.130082    6.281867   43.422554
H         9.249802    6.917034   43.259620
H        11.014422    6.910732   43.591499
H        10.285590    5.654673   42.538559
C        11.307001    0.906945   46.040247
H        12.347149    0.729436   45.742257
H        11.217253    1.901895   46.487061
H        11.007415    0.154304   46.781921
C        10.558297   -1.001280   44.074268
H        10.352612   -1.676368   44.915036
H         9.935374   -1.309026   43.228351
H        11.616941   -1.076025   43.791920
C         6.656657   -0.226075   50.803054
H         7.136865   -0.285861   51.788227
H         5.569793   -0.186705   50.918219
H         6.909186   -1.114008   50.208260
C         9.071912    0.847163   49.749415
H         9.159059   -0.142726   49.283279
H         9.589934    1.568586   49.108695
H         9.535228    0.827583   50.744881
C         1.881103    4.137059   49.899709
H         1.702442    4.921095   49.152902
H         1.112788    3.365612   49.783851
H         1.819472    4.564420   50.909532
C         4.619137    4.924856   49.829277
H         4.316149    5.641333   49.054313
H         4.469832    5.369487   50.820503
H         5.676254    4.681458   49.686630
C        -0.105738    0.876470   48.222089
C        -1.383835    0.723098   48.759922
C        -1.743374   -0.492715   49.343037
C        -0.854583   -1.580124   49.415013
C         0.439518   -1.425579   48.846255
C         0.790437   -0.193338   48.266213
H         0.200519    1.816036   47.758450
H        -2.105820    1.540493   48.724972
H        -2.747064   -0.621332   49.750156
H         1.789322   -0.075866   47.837103
C        -1.392048   -2.848079   50.017705
C        -1.372674   -3.095929   51.412942
C        -2.039846   -3.756230   49.162457
C        -1.941411   -4.292580   51.884044
C        -2.610585   -4.931566   49.653859
H        -2.101391   -3.529881   48.096374
C        -2.546399   -5.207347   51.020280
H        -1.926699   -4.515245   52.951002
H        -3.107714   -5.623513   48.973312
H        -2.984425   -6.123566   51.418498
P         1.763865   -2.715386   48.778355
P        -0.614614   -1.830098   52.559602
C        -2.132419   -0.860440   53.050909
H        -2.467652   -0.236159   52.213785
H        -2.955841   -1.513064   53.369906
H        -1.857705   -0.195523   53.881792
C        -0.368860   -2.802749   54.126684
H         0.359704   -3.608217   53.966782
H         0.048935   -2.115393   54.875252
H        -1.296027   -3.226239   54.536489
C         2.084075   -3.294029   50.490142
H         2.391253   -2.445590   51.112020
H         1.184575   -3.755604   50.915012
H         2.897770   -4.030320   50.453140
C         1.086047   -4.201410   47.934450
H         0.224870   -4.607479   48.476789
H         0.794368   -3.943308   46.909425
H         1.885877   -4.952856   47.893452

219
Au10T-I5
Au        3.492596    1.653347   44.029935
Au        6.028102    2.453200   44.830719
Au        3.683559    4.310193   44.752061
Au        5.802127    4.149114   42.735939
Au        6.825793    2.503547   47.547448
Au        6.608924   -3.400686   47.331278
Au        8.457473    1.296275   45.573174
Au        3.945794    2.338469   46.773062
Au        5.908040    0.124130   46.444919
Au        8.329459    3.438329   43.703662
P         5.477442    5.482931   40.830323
P         7.498762    3.854169   49.325908
P         4.197313   -0.081809   42.459305
P        10.375964   -0.040122   45.549508
P         3.188822    6.585129   44.547259
P         1.099485    1.468421   43.545214
P         3.186622    2.538164   48.986825
P        10.576854    3.937039   43.258774
C         5.345657    3.945888   51.227466
C         4.042821    7.878658   41.531713
H         6.354268   -0.254358   52.893359
C         5.802970    0.304435   52.136435
C         5.894620    1.693892   52.090780
C         5.182169    2.457238   51.145760
C         4.307717    1.787331   50.254953
C         4.264397    0.378765   50.284207
H         3.644173   -0.157329   49.565176
C         4.995822   -0.358648   51.210629
H         4.923111   -1.446312   51.216808
C         5.203649   -1.744161   46.830879
C         4.419923   -2.691207   47.090335
H        -0.155443   -4.972145   48.786556
C         3.117845    8.891500   41.226573
H         6.520894    2.218749   52.813879
C         2.254521    8.792497   40.135750
C         2.305749    7.661093   39.322397
C         4.144637    6.761557   40.663459
H        13.732827    1.750128   46.584488
C         4.916796    8.104176   42.730916
C         6.622509    8.776884   44.879003
H        14.300777    2.270897   43.405542
H         7.270780    9.034174   45.717330
H        -0.187387   -2.114251   41.073161
H         0.373427   -4.358160   41.961120
C         6.878229    9.285321   43.604795
C         6.033033    8.943097   42.550904
C         6.362473    6.073770   50.632026
H         7.074553    6.659875   50.053369
C         0.570478    1.164379   38.917953
C         1.043186    0.060515   39.626673
C         1.214927    0.087555   41.023523
C         0.859593    1.269992   41.727099
C         0.384628    2.375542   40.995154
H         0.098012    3.288672   41.514834
C         0.241394    2.330835   39.608194
H        -0.146807    3.199293   39.074984
H         3.873647    4.056367   52.792518
H         4.043906    6.514837   53.087463
C        11.643920    3.738024   44.761615
C        11.651215    4.850086   45.628752
H        11.084483    5.743236   45.366437
C        12.387385    4.858579   46.811504
H        12.397704    5.750646   47.438681
C        13.137524    3.735674   47.163921
C        13.122517    2.618273   46.330968
C        12.374344    2.582025   45.139229
H         1.294601   -0.856647   39.091994
C         1.668769   -1.195092   41.656439
C         2.936727   -1.414047   42.258791
C         3.231719   -2.691836   42.770532
H         4.333020    3.810104   39.441116
C         2.323609   -3.746459   42.674184
H         2.589274   -4.729141   43.064978
C         1.089123   -3.541232   42.058870
C         0.777209   -2.279042   41.555377
C        12.032991   -0.852220   43.432251
H        11.422812   -1.752928   43.438447
C        11.746268    0.201576   44.322398
C        12.551505    1.369008   44.271733
C        13.656064    1.390638   43.402846
C        13.939737    0.328947   42.544818
C        13.107083   -0.789209   42.544102
H        13.303268   -1.624157   41.871071
H        14.803580    0.378130   41.881370
C         5.550747    6.739629   51.551928
H         5.635229    7.820879   51.665618
H        13.746984    3.734753   48.067954
H         3.293676    5.811409   38.907248
H         0.449639    1.106078   37.835924
C         4.626982    7.635813   44.036839
C         5.511966    7.961953   45.084215
H         5.321430    7.585283   46.089154
H         3.079779    9.772917   41.868777
H         1.548020    9.595454   39.923881
C         4.660885    6.012143   52.341958
C         4.568050    4.629966   52.176126
H         7.721690    9.954812   43.432155
H         6.218478    9.350143   41.555820
H         1.633503    7.561929   38.469564
C         3.248888    6.665253   39.580893
C         6.292729    4.677230   50.465596
C         3.291323   -3.593680   47.372998
C         0.779696   -3.910333   47.137101
C         1.965606   -2.976865   46.854134
C         3.179446   -3.943774   48.878291
C         1.985743   -4.869567   49.148092
C         0.673980   -4.269425   48.624907
H         3.457219   -4.536028   46.819669
H         0.897022   -4.834362   46.545568
H        -0.150457   -3.437172   46.789569
H         1.812873   -2.008568   47.359232
H         2.054417   -2.769917   45.778209
H         3.060821   -3.004749   49.444993
H         4.118585   -4.405107   49.218266
H         1.912384   -5.070913   50.226510
H         2.162775   -5.844110   48.661851
H         0.431149   -3.362676   49.205455
C         5.779426   -0.966691   42.780170
H         6.571052   -0.207825   42.731577
H         5.786415   -1.387253   43.793398
H         5.963771   -1.750029   42.032356
C         4.492628    0.585642   40.764925
H         3.602922    1.108059   40.399770
H         5.325155    1.297961   40.833222
H         4.750317   -0.226940   40.072344
C         0.234196    0.053543   44.352805
H        -0.802150   -0.022820   43.997436
H         0.760911   -0.883970   44.149734
H         0.239290    0.235120   45.435382
C         0.005512    2.874787   44.018291
H         0.012407    2.924469   45.114698
H         0.413095    3.818562   43.638892
H        -1.024488    2.734822   43.663563
C         5.262737    4.385625   39.365465
H         6.104471    3.681485   39.371592
H         4.195535   -2.877270   43.242210
H         5.280563    4.950636   38.424276
C         7.020364    6.387519   40.377495
H         7.308420    7.065621   41.187419
H         7.814594    5.643008   40.237612
H         6.877068    6.955382   39.448422
C         2.608694    7.371453   46.113321
H         1.663696    6.888147   46.393552
H         3.325731    7.218093   46.926306
H         2.440124    8.446949   45.968347
C         1.747728    6.898625   43.449333
H         0.889623    6.394973   43.915674
H         1.533312    7.970948   43.367306
H         1.910626    6.478582   42.452198
C        10.898007    5.673619   42.719948
H        10.422390    6.392660   43.394772
H        11.975444    5.876646   42.660529
H        10.449126    5.796717   41.725936
C        11.267442    2.985025   41.845292
H        10.678299    3.272222   40.963951
H        12.322807    3.226906   41.671108
H        11.155089    1.908347   42.004281
C        11.215921   -0.137586   47.186553
H        12.058862   -0.839081   47.138409
H        11.570579    0.852480   47.490725
H        10.481918   -0.499480   47.918367
C         9.830699   -1.780914   45.312331
H         9.047857   -1.963377   46.062330
H         9.380807   -1.914817   44.321401
H        10.653799   -2.495556   45.466959
C         8.685303    2.986457   50.437606
H         9.028056    3.661635   51.232912
H         8.207717    2.105546   50.879509
H         9.540242    2.662682   49.830649
C         8.539581    5.217615   48.656419
H         9.315817    4.746450   48.039959
H         7.944413    5.872770   48.009327
H         9.016297    5.802705   49.454079
C         1.566793    1.721085   49.325381
H         0.810357    2.200537   48.690677
H         1.603830    0.655967   49.074239
H         1.287106    1.838329   50.380838
C         2.799445    4.283256   49.413098
H         2.029807    4.605274   48.698676
H         2.410929    4.378098   50.433894
H         3.681090    4.920346   49.293449
C        10.227658   -2.681419   50.433148
C        11.445804   -3.326125   50.646743
C        11.740396   -4.496603   49.946188
C        10.842119   -5.059363   49.022668
C         9.602756   -4.400294   48.811490
C         9.321290   -3.216059   49.518070
H         9.976930   -1.773398   50.982498
H        12.162785   -2.930032   51.367076
H        12.682291   -5.015588   50.130603
H         8.364683   -2.714997   49.349844
C        11.229394   -6.374361   48.409388
C        12.024629   -6.470471   47.239799
C        10.863428   -7.543940   49.097140
C        12.372133   -7.750753   46.775681
C        11.226680   -8.806055   48.622341
H        10.303253   -7.457736   50.030130
C        11.975465   -8.908055   47.449839
H        12.973671   -7.856915   45.873129
H        10.935091   -9.701183   49.172291
H        12.269683   -9.885891   47.067026
P         8.232659   -5.006755   47.739233
P        12.529578   -4.917126   46.336840
C        14.156297   -4.528585   47.167531
H        13.979657   -4.136591   48.176177
H        14.806747   -5.410911   47.229150
H        14.663407   -3.749793   46.580345
C        13.182026   -5.583976   44.725963
H        12.376814   -6.066507   44.156497
H        13.541939   -4.726048   44.141450
H        14.016577   -6.288142   44.844434
C         8.883375   -5.712722   46.177757
H         9.535690   -4.978596   45.689320
H         9.450665   -6.631000   46.368244
H         8.026441   -5.931662   45.527490
C         7.477240   -6.442444   48.602772
H         8.222367   -7.237510   48.730213
H         7.099424   -6.126885   49.582604
H         6.641279   -6.816903   47.997801

219
Au10T-I6
Au        3.174810    2.120869   44.788187
Au        5.878153    2.796335   45.050003
Au        3.983231    4.857676   45.066944
Au        5.885146    4.678468   42.981677
Au        6.566085    1.453402   47.570778
Au        6.543171   -3.426348   46.737527
Au        8.177328    1.219499   45.206126
Au        4.103018    2.990944   47.260495
Au        5.565866   -0.004405   45.488587
Au        8.247137    3.818898   44.089325
P         5.565670    5.872247   40.984306
P         7.162459    2.085906   49.740994
P         4.912315   -0.662138   43.243346
P        10.193545    0.019299   45.143021
P         3.156288    7.006524   44.658884
P         1.295075    1.342537   43.631939
P         2.998325    3.528501   49.272351
P        10.500475    4.329533   43.754316
C         5.706234    4.328990   50.946166
C         3.948956    8.183641   41.562658
H         4.195659    2.114897   54.727112
C         4.004232    2.341504   53.677769
C         4.895734    3.140320   52.961581
C         4.682796    3.457060   51.609531
C         3.495850    3.001964   50.979819
C         2.618560    2.176316   51.709603
H         1.706227    1.802581   51.248872
C         2.870083    1.840051   53.040468
H         2.163386    1.210034   53.581440
C         5.317875   -1.630027   46.853692
C         4.681407   -2.266350   47.730050
H         1.818994   -3.361931   52.156608
C         2.936709    9.096117   41.221392
H         5.787902    3.531601   53.453325
C         2.095068    8.885283   40.129381
C         2.260659    7.742254   39.348157
C         4.157279    7.051669   40.732554
H        13.797670    1.457084   46.331723
C         4.793961    8.529391   42.753518
C         6.432803    9.424318   44.873974
H        14.191241    2.526209   43.344523
H         7.056867    9.763439   45.701241
H         0.410281   -2.372094   41.558482
H         0.539215   -4.388941   42.993265
C         6.675573    9.868480   43.573353
C         5.864928    9.416617   42.533618
C         7.675200    4.783639   49.596239
H         8.481555    4.437190   48.949148
C         1.856250    0.490997   39.075922
C         2.132500   -0.522041   39.993408
C         2.001485   -0.321779   41.378287
C         1.532075    0.931655   41.845283
C         1.266568    1.948395   40.907163
H         0.904922    2.920203   41.240403
C         1.426495    1.735491   39.537945
H         1.189692    2.534249   38.834309
H         4.835794    6.066885   51.870332
H         6.472897    7.674695   50.930775
C        11.616070    3.787014   45.130026
C        11.685707    4.680914   46.219077
H        11.109099    5.605376   46.197700
C        12.497999    4.433465   47.323160
H        12.548737    5.160648   48.134495
C        13.269007    3.270461   47.364154
C        13.188278    2.361591   46.311153
C        12.353149    2.577405   45.198180
H         2.456661   -1.501736   39.638173
C         2.243865   -1.497119   42.272416
C         3.362201   -1.674799   43.122013
C         3.391121   -2.804443   43.967028
H         4.542054    4.056967   39.685640
C         2.389582   -3.771629   43.936646
H         2.446718   -4.636192   44.598699
C         1.322220   -3.631716   43.046950
C         1.256002   -2.502499   42.235349
C        11.752579   -0.424002   42.862374
H        11.094194   -1.278911   42.720238
C        11.559302    0.441081   43.958371
C        12.426381    1.556755   44.098876
C        13.496949    1.697127   43.198286
C        13.686426    0.817997   42.133161
C        12.792819   -0.236823   41.952368
H        12.915490   -0.930394   41.119910
H        14.525694    0.958167   41.451272
C         7.569016    6.147571   49.854823
H         8.291113    6.840343   49.421664
H        13.938414    3.077222   48.202988
H         3.417227    5.979523   38.996226
H         1.964098    0.303479   38.007143
C         4.515559    8.124168   44.082326
C         5.367952    8.560635   45.116678
H         5.192961    8.225291   46.139590
H         2.813974    9.990240   41.835264
H         1.318385    9.612242   39.890140
C         6.550999    6.614385   50.688306
C         5.633191    5.709270   51.216917
H         7.484112   10.570924   43.368772
H         6.040190    9.774362   41.517911
H         1.610913    7.558495   38.491853
C         3.287447    6.844464   39.644352
C         6.780371    3.849836   50.157408
C         3.826392   -2.854683   48.767389
C         1.722182   -2.522923   50.153528
C         2.638097   -1.906663   49.086050
C         4.604647   -3.204485   50.059880
C         3.677418   -3.810092   51.121250
C         2.492633   -2.885549   51.430367
H         3.398063   -3.791814   48.366628
H         1.246965   -3.429953   49.743301
H         0.903434   -1.824581   50.383436
H         3.047371   -0.946903   49.443529
H         2.078727   -1.697247   48.162945
H         5.068450   -2.281441   50.445680
H         5.424373   -3.897002   49.816811
H         4.249915   -4.020310   52.036437
H         3.298008   -4.782182   50.762738
H         2.866050   -1.962332   51.906433
C         6.166415   -1.861024   42.595141
H         7.127868   -1.335123   42.524710
H         6.272566   -2.700350   43.291991
H         5.877299   -2.237430   41.604888
C         4.955775    0.603289   41.907799
H         4.231357    1.399882   42.105347
H         5.960929    1.044296   41.951591
H         4.777735    0.165768   40.917937
C         0.388880   -0.037396   44.444819
H        -0.479048   -0.337965   43.844134
H         1.045641   -0.896778   44.607011
H         0.046385    0.337167   45.418680
C         0.010302    2.664733   43.626287
H        -0.298441    2.821797   44.667519
H         0.420750    3.607590   43.249705
H        -0.861680    2.368051   43.028629
C         5.440414    4.677645   39.587640
H         6.317048    4.020866   39.653527
H         4.218746   -2.921133   44.669671
H         5.446440    5.182669   38.612616
C         7.065029    6.836749   40.510646
H         7.293687    7.576766   41.284481
H         7.904835    6.134702   40.428440
H         6.909995    7.340959   39.547514
C         2.423373    7.920061   46.085127
H         1.519054    7.382461   46.398750
H         3.117363    7.956976   46.931184
H         2.153827    8.943120   45.789771
C         1.748767    7.006126   43.477996
H         0.946909    6.429691   43.959117
H         1.391278    8.022406   43.274522
H         2.024605    6.518844   42.537734
C        10.841433    6.136290   43.596404
H        10.419139    6.696010   44.437369
H        11.920198    6.329018   43.525358
H        10.346299    6.481624   42.679849
C        11.124604    3.701358   42.143409
H        10.525973    4.195329   41.366593
H        12.183076    3.948894   41.997971
H        10.981318    2.619843   42.060352
C        10.977916   -0.122764   46.804250
H        11.880767   -0.745115   46.752527
H        11.230548    0.865156   47.199909
H        10.242239   -0.598616   47.465310
C         9.809062   -1.747978   44.793779
H         9.091792   -2.063545   45.565377
H         9.317274   -1.856954   43.820587
H        10.701382   -2.388607   44.840255
C         6.492613    0.957853   51.028304
H         6.811347    1.256459   52.034575
H         5.400298    0.912841   50.984128
H         6.894168   -0.037891   50.797053
C         8.974081    1.960907   50.074466
H         9.254771    0.903609   49.984649
H         9.550040    2.532439   49.339435
H         9.207712    2.318408   51.086097
C         1.275370    2.901311   49.081908
H         0.895661    3.312503   48.138044
H         1.265061    1.807926   49.005267
H         0.627091    3.229510   49.905091
C         2.706976    5.343324   49.419965
H         2.210950    5.675066   48.499121
H         2.068644    5.560814   50.286609
H         3.660704    5.871297   49.519898
C        10.261145   -4.402956   49.602547
C        11.298277   -5.333477   49.559184
C        11.348345   -6.263091   48.519573
C        10.377425   -6.301454   47.503588
C         9.312137   -5.365069   47.563594
C         9.281542   -4.424281   48.610092
H        10.205018   -3.673387   50.411443
H        12.064253   -5.345979   50.335873
H        12.150296   -7.002171   48.493329
H         8.460043   -3.704652   48.645674
C        10.505294   -7.398070   46.485296
C        11.284445   -7.258882   45.308202
C         9.915186   -8.637222   46.784411
C        11.386176   -8.364784   44.446184
C        10.035552   -9.724854   45.916756
H         9.371530   -8.751302   47.724343
C        10.766730   -9.582381   44.737456
H        11.970236   -8.287117   43.529613
H         9.571635  -10.678804   46.168983
H        10.873992  -10.423218   44.051050
P         7.852003   -5.322884   46.439214
P        12.080937   -5.616251   44.921267
C        13.698523   -5.761378   45.842626
H        13.529562   -5.650043   46.919894
H        14.200259   -6.718282   45.647303
H        14.349967   -4.939756   45.513452
C        12.718377   -5.879043   43.193040
H        11.884328   -6.007826   42.490765
H        13.262435   -4.968454   42.906780
H        13.407216   -6.730025   43.100779
C         8.371058   -5.562642   44.696377
H         9.148288   -4.831477   44.442490
H         8.768590   -6.572693   44.546018
H         7.492396   -5.411797   44.056085
C         6.853509   -6.819882   46.816326
H         7.435981   -7.725006   46.602762
H         6.562601   -6.807935   47.873573
H         5.948683   -6.809102   46.194853

219
Au10T-I7
Au        2.394740    1.321557   44.869797
Au        5.089782    2.243261   45.204646
Au        2.880809    4.012007   45.521206
Au        4.526771    3.945243   43.147230
Au        6.173503    1.928155   47.812967
Au        0.375113    0.321704   46.961477
Au        7.611958    1.035440   45.500329
Au        3.235167    1.904307   47.438063
Au        5.215781   -0.279668   46.411002
Au        7.126233    3.031548   43.531708
P         3.838810    5.296601   41.347364
P         7.339022    2.931651   49.586446
P        -1.124253    1.875990   46.068753
P         9.734105    0.065615   45.435207
P         2.426553    6.310269   45.477202
P         1.407148    0.040092   43.144760
P         2.971994    2.251010   49.765611
P         9.156273    3.239141   42.385078
C         5.560477    3.185403   51.817592
C         2.796655    7.746701   42.426543
H         6.039965   -1.217584   53.159195
C         5.520457   -0.534335   52.486450
C         5.822572    0.825879   52.507433
C         5.159271    1.748356   51.674626
C         4.125408    1.273475   50.831808
C         3.859466   -0.110951   50.788864
H         3.089856   -0.492408   50.111091
C         4.546266   -1.006977   51.604786
H         4.306723   -2.069714   51.563527
C         1.059385   -1.085027   48.207545
C         1.105774   -1.929422   49.102792
H         0.330122   -6.305290   52.159974
C         1.935016    8.854107   42.357812
H         6.583999    1.201328   53.193288
C         0.873705    8.901885   41.454023
C         0.657162    7.825579   40.594069
C         2.616841    6.681608   41.507646
H        13.512916    1.618581   44.417376
C         3.904815    7.809862   43.435471
C         6.063034    8.145941   45.225313
H        12.725461    1.134713   41.504740
H         6.889604    8.269810   45.925502
H        -2.377894    0.554511   41.417112
H        -2.895072    2.873617   40.695664
C         6.111055    8.735894   43.961703
C         5.043513    8.558843   43.083283
C         6.803974    5.181684   51.190170
H         7.506106    5.701220   50.540450
C        -2.336070   -2.493571   44.303778
C        -2.486578   -1.128474   44.056756
C        -1.395461   -0.318840   43.703078
C        -0.117218   -0.916769   43.557485
C         0.015118   -2.295634   43.802207
H         0.982043   -2.782620   43.688751
C        -1.077668   -3.078158   44.175901
H        -0.943904   -4.145568   44.352533
H         4.371180    3.385200   53.598874
H         4.974261    5.760087   54.003196
C        10.705322    3.267235   43.402110
C        11.018603    4.524969   43.958997
H        10.332360    5.361871   43.827238
C        12.205109    4.744682   44.654954
H        12.424603    5.734720   45.055541
C        13.120890    3.700863   44.800546
C        12.807200    2.441562   44.294485
C        11.592978    2.185401   43.628976
H        -3.476064   -0.672750   44.120648
C        -1.671086    1.115947   43.371714
C        -1.483990    2.186407   44.278151
C        -1.751057    3.496964   43.842805
H        -1.610948    4.337293   44.520440
C        -2.232769    3.753315   42.558261
H        -2.445287    4.778640   42.253401
C        -2.479716    2.691508   41.687347
C        -2.195905    1.388892   42.096084
C        10.432837   -1.457550   43.218119
H         9.812756   -2.213924   43.698534
C        10.579761   -0.184866   43.806872
C        11.375264    0.784760   43.141689
C        12.072097    0.402406   41.981730
C        11.937668   -0.869032   41.426765
C        11.091029   -1.795273   42.036351
H        10.961953   -2.790042   41.609569
H        12.489618   -1.132343   40.524080
C         6.254939    5.881960   52.265498
H         6.527926    6.925043   52.428334
H        14.073432    3.864901   45.305349
H         1.357256    5.925918   39.908650
H        -3.201520   -3.096332   44.579931
C         3.833329    7.262418   44.740233
C         4.936955    7.418407   45.602059
H         4.913991    6.970637   46.596108
H         2.107398    9.691790   43.035745
H         0.223029    9.776257   41.421831
C         5.386155    5.232606   53.142283
C         5.049360    3.897618   52.914633
H         6.968679    9.339345   43.662552
H         5.069432    9.029891   42.099319
H        -0.170504    7.842396   39.884137
C         1.527277    6.734352   40.617365
C         6.484777    3.830488   50.957254
C         1.055950   -2.931589   50.172182
C         1.812726   -5.223518   50.994926
C         1.893670   -4.195833   49.856862
C        -0.411121   -3.325369   50.494077
C        -0.481710   -4.359114   51.626030
C         0.360780   -5.603013   51.314688
H         1.478204   -2.476622   51.090000
H         2.285572   -4.803626   51.899942
H         2.393778   -6.119050   50.728935
H         1.507120   -4.641688   48.924904
H         2.940406   -3.910862   49.666579
H        -0.865343   -3.736112   49.577459
H        -0.981902   -2.422559   50.753905
H        -1.529942   -4.641010   51.801560
H        -0.123362   -3.900143   52.563482
H        -0.075701   -6.133373   50.451073
C        -0.828640    3.540107   46.797849
H        -0.719024    3.395644   47.879971
H         0.114334    3.947946   46.405243
H        -1.663951    4.229976   46.621592
C        -2.795275    1.454262   46.728890
H        -3.534275    2.205309   46.419219
H        -3.095533    0.466664   46.360698
H        -2.740575    1.412244   47.824494
C         1.087238    1.028286   41.623498
H         0.612615    0.412130   40.848779
H         0.456548    1.893297   41.847207
H         2.065953    1.378725   41.269421
C         2.585800   -1.214232   42.490278
H         3.455714   -0.666051   42.106892
H         2.929069   -1.882707   43.286224
H         2.133174   -1.802760   41.681068
C         3.180642    4.235841   39.993543
H         3.916440    3.439592   39.823560
H         2.232267    3.773443   40.290841
H         3.046507    4.798243   39.060016
C         5.282880    6.096718   40.524986
H         5.809940    6.737024   41.240011
H         5.962843    5.303576   40.188380
H         4.953550    6.692242   39.663469
C         2.200958    7.091334   47.133934
H         1.288798    6.673887   47.580312
H         3.043099    6.867294   47.796628
H         2.092728    8.179565   47.034446
C         0.840488    6.751714   44.662491
H         0.047585    6.301371   45.274138
H         0.696500    7.838197   44.631329
H         0.785810    6.341150   43.649595
C         9.289374    4.788067   41.389452
H         9.122336    5.674508   42.010156
H        10.272566    4.856263   40.905307
H         8.505622    4.754775   40.621677
C         9.291244    1.957167   41.075053
H         8.444991    2.120205   40.394301
H        10.230447    2.050877   40.516496
H         9.209491    0.951442   41.498439
C        10.911722    0.937891   46.549728
H        11.903959    0.470397   46.507379
H        10.992746    1.997963   46.293574
H        10.512094    0.840604   47.567737
C         9.707126   -1.609142   46.197172
H         9.342876   -1.486728   47.225303
H         9.026364   -2.298759   45.683587
H        10.717475   -2.040376   46.212945
C         8.475678    1.753734   50.432127
H         9.073228    2.281148   51.187428
H         7.898755    0.954972   50.909367
H         9.138426    1.312912   49.676750
C         8.514999    4.153140   48.869055
H         9.101102    3.623315   48.107969
H         7.970426    4.964109   48.371445
H         9.193848    4.562928   49.628638
C         1.320900    1.792107   50.435225
H         0.570010    2.432367   49.954206
H         1.094529    0.748527   50.183747
H         1.294295    1.944062   51.522508
C         3.060697    4.043696   50.163347
H         2.274233    4.524115   49.566305
H         2.876236    4.234805   51.226962
H         4.029054    4.464579   49.875764
C         5.907356   -5.862498   46.198763
C         4.653751   -6.481247   46.334521
C         4.196710   -7.408221   45.395003
C         5.005103   -7.735381   44.306493
C         6.265051   -7.146675   44.175189
C         6.748220   -6.216664   45.112416
C         6.345694   -4.931673   47.292836
C         7.076020   -5.498876   48.351810
C         7.479484   -4.749594   49.457700
C         7.152080   -3.396120   49.529274
C         6.420179   -2.811825   48.495519
C         6.003546   -3.556278   47.376479
H         4.040945   -6.245438   47.206387
H         3.223031   -7.882336   45.523983
H         4.667294   -8.463141   43.567181
H         6.883651   -7.433158   43.325249
H         7.310495   -6.563142   48.305041
H         8.040953   -5.227817   50.261331
H         7.456752   -2.797508   50.388060
H         6.160268   -1.751700   48.549736
P         5.004427   -2.614876   46.142615
P         8.405764   -5.382103   44.913081
C         5.544043   -3.104204   44.454258
H         5.187763   -4.109940   44.202423
H         5.149909   -2.372623   43.738579
H         6.640699   -3.094547   44.409305
C         3.272658   -3.202192   46.261524
H         2.868279   -2.976187   47.255972
H         2.668838   -2.637684   45.538672
H         3.212011   -4.276490   46.047261
C         8.935582   -5.946172   43.220537
H         9.946295   -5.550494   43.050733
H         8.979447   -7.038653   43.113273
H         8.273675   -5.529912   42.449970
C         9.520900   -6.476735   45.932530
H         9.366824   -7.541006   45.711160
H        10.561452   -6.209071   45.700551
H         9.354568   -6.296232   47.000645

219
Au10T-I8
Au        2.111440    2.051132   45.256866
Au        4.950334    2.297984   45.550848
Au        3.190861    4.445156   46.149254
Au        4.474026    4.134643   43.603407
Au        6.128060    1.585878   48.095153
Au       -1.736954   -4.535155   44.250940
Au        7.307097    0.775525   45.616677
Au        3.305428    2.048680   47.811672
Au        4.808885   -0.315998   46.558077
Au        6.944302    2.855274   43.729116
P         3.725258    5.638307   41.973507
P         7.263424    2.407978   49.976769
P        -2.670273   -2.782883   45.427660
P         9.278544   -0.481928   45.526406
P         2.903008    6.744491   46.407784
P         0.032214    1.441304   44.323637
P         2.704454    2.026066   50.088817
P         8.964297    2.839808   42.533801
C         5.358283    2.685000   52.119870
C         2.702858    8.007292   43.276185
H         5.596385   -1.784623   53.294153
C         5.092568   -1.046328   52.669600
C         5.498761    0.286419   52.700095
C         4.864553    1.280191   51.929993
C         3.744671    0.911862   51.140727
C         3.369903   -0.446738   51.095854
H         2.530895   -0.756932   50.473090
C         4.028266   -1.417541   51.846818
H         3.693985   -2.454576   51.805616
C        -1.058222   -6.150520   43.319652
C        -0.798751   -7.195138   42.727988
H        -1.283078  -11.708370   39.831657
C         1.750448    9.036992   43.372252
H         6.318805    0.585078   53.355024
C         0.560232    9.011451   42.646165
C         0.301023    7.937005   41.796426
C         2.469827    6.948162   42.359811
H        13.103583    0.916807   44.760840
C         3.952519    8.183616   44.091675
C         6.319492    8.813203   45.502023
H        12.431492    0.600110   41.736472
H         7.224770    9.054839   46.059770
H        -2.648384    0.871099   41.960005
H        -5.009894    1.516185   42.366707
C         6.139886    9.285909   44.202318
C         4.968489    8.968937   43.516194
C         6.734135    4.626718   51.612876
H         7.490384    5.126515   51.010529
C         0.245078   -2.423147   41.752186
C        -0.994219   -2.085154   42.296737
C        -1.167143   -0.955555   43.117067
C        -0.027331   -0.154779   43.402653
C         1.221267   -0.519204   42.857646
H         2.094859    0.096660   43.087317
C         1.358630   -1.632178   42.029045
H         2.331055   -1.879481   41.602371
H         4.117636    2.894729   53.864140
H         4.832450    5.215632   54.374670
C        10.471800    2.751387   43.605259
C        10.828949    3.980171   44.198958
H        10.201470    4.858641   44.043451
C        11.981722    4.116382   44.968231
H        12.239114    5.086151   45.395078
C        12.817067    3.013514   45.156899
C        12.457229    1.783130   44.611766
C        11.275946    1.613373   43.863456
H        -1.867662   -2.689772   42.051981
C        -2.577809   -0.620444   43.507188
C        -3.334920   -1.324829   44.482429
C        -4.674169   -0.948006   44.690342
H        -5.278392   -1.472491   45.428140
C        -5.275163    0.077026   43.957528
H        -6.319588    0.332072   44.139060
C        -4.542922    0.742680   42.977210
C        -3.210399    0.388802   42.760886
C        10.000450   -1.970770   43.285620
H         9.335207   -2.719486   43.714800
C        10.166714   -0.722860   43.919914
C        11.018241    0.240480   43.317052
C        11.738922   -0.124993   42.167009
C        11.585436   -1.374265   41.567159
C        10.691694   -2.292088   42.117650
H        10.548714   -3.268846   41.655307
H        12.160121   -1.626274   40.675422
C         6.179296    5.324784   52.686123
H         6.501354    6.346033   52.891983
H        13.744031    3.109271   45.723195
H         1.041132    6.120909   40.950359
H         0.328341   -3.305375   41.117432
C         4.115167    7.747653   45.432458
C         5.316350    8.055293   46.102582
H         5.471300    7.715035   47.125417
H         1.960248    9.877632   44.035579
H        -0.154960    9.829024   42.741178
C         5.245791    4.696314   53.509494
C         4.846879    3.391162   53.222016
H         6.896902    9.911915   43.729008
H         4.810860    9.361119   42.510652
H        -0.624546    7.895605   41.221700
C         1.251661    6.925840   41.651874
C         6.359085    3.300029   51.323865
C        -0.576086   -8.448820   42.007619
C        -0.667938   -9.622906   39.744923
C        -0.885744   -8.301815   40.494995
C        -1.406417   -9.607553   42.620432
C        -1.185647  -10.920958   41.858420
C        -1.486621  -10.766028   40.361189
H         0.492331   -8.725763   42.102355
H         0.404174   -9.886393   39.772982
H        -0.928647   -9.493159   38.683907
H        -1.933870   -7.978084   40.388555
H        -0.262375   -7.501899   40.067851
H        -2.470992   -9.324769   42.582770
H        -1.146474   -9.722194   43.682733
H        -1.813761  -11.710754   42.295997
H        -0.139186  -11.247673   41.988956
H        -2.561258  -10.555748   40.226121
C        -1.559881   -2.043969   46.708033
H        -1.232931   -2.853554   47.373870
H        -0.675878   -1.613373   46.223073
H        -2.087692   -1.278307   47.292352
C        -4.076985   -3.378083   46.452710
H        -4.479943   -2.603407   47.118273
H        -4.870874   -3.776692   45.809542
H        -3.692826   -4.208613   47.059224
C        -1.254521    1.516509   45.631548
H        -2.257962    1.354148   45.222378
H        -1.042438    0.770235   46.404316
H        -1.196708    2.515435   46.084204
C        -0.504368    2.737175   43.127101
H        -0.357352    3.723664   43.585201
H         0.110887    2.664041   42.222497
H        -1.561155    2.607166   42.864215
C         3.001835    4.669200   40.584941
H         3.766935    3.947466   40.270991
H         2.122012    4.106827   40.916965
H         2.740777    5.308745   39.731533
C         5.102367    6.521325   41.125450
H         5.688226    7.094884   41.850294
H         5.749116    5.764178   40.664088
H         4.708221    7.190756   40.349292
C         3.109546    7.332987   48.142373
H         2.277023    6.920973   48.726819
H         4.045042    6.968687   48.579102
H         3.078798    8.429825   48.188721
C         1.184266    7.279486   46.042512
H         0.537510    6.777992   46.774679
H         1.078355    8.366571   46.147708
H         0.883267    6.975811   45.035762
C         9.265180    4.338178   41.499585
H         9.200493    5.252954   42.097600
H        10.250168    4.283942   41.017043
H         8.483200    4.372440   40.729613
C         8.989740    1.510723   41.266548
H         8.157751    1.721578   40.581128
H         9.931541    1.509330   40.705212
H         8.827645    0.528638   41.721098
C        10.521043    0.120980   46.744822
H        11.434226   -0.486208   46.692818
H        10.767661    1.172310   46.572157
C         8.967892   -2.184038   46.148958
H         8.562893   -2.080899   47.163918
H         8.228854   -2.727127   45.545978
H         9.903162   -2.758979   46.183818
C         8.271192    1.125813   50.833605
H         8.811827    1.569755   51.680246
H         7.629766    0.312908   51.188383
H         8.991387    0.720319   50.111274
C         8.558218    3.584318   49.403202
H         9.168825    3.049392   48.665251
H         8.104259    4.447642   48.902585
H         9.200924    3.918534   50.228419
C         0.978079    1.463288   50.415336
H         0.302743    2.187195   49.941251
H         0.789777    0.479982   49.972471
H         0.777901    1.425652   51.494366
C         2.668659    3.721710   50.796726
H         1.914650    4.275704   50.221811
H         2.384510    3.711011   51.855969
H         3.637745    4.216067   50.679236
C         4.590482   -5.741451   45.298228
C         3.228632   -6.076071   45.217298
C         2.677483   -6.615180   44.052580
C         3.510409   -6.857027   42.960173
C         4.875037   -6.570503   43.041486
C         5.445935   -6.013396   44.199265
C         5.090065   -5.159516   46.587077
C         5.657796   -6.036623   47.527433
C         6.091933   -5.599065   48.779557
C         5.966598   -4.252883   49.123326
C         5.398692   -3.363385   48.211816
C         4.947621   -3.794657   46.950087
H         2.592734   -5.920318   46.091033
H         1.607366   -6.828362   43.995912
H         3.100933   -7.279927   42.041957
H         5.501954   -6.786233   42.176916
H         5.734519   -7.092779   47.266915
H         6.521666   -6.311814   49.484475
H         6.305190   -3.896331   50.096788
H         5.301833   -2.306986   48.475095
P         4.154774   -2.487525   45.922799
P         7.237194   -5.498056   44.254029
C         4.558275   -2.744084   44.150840
H         4.039354   -3.622265   43.750402
H         4.253866   -1.842753   43.605207
H         5.641950   -2.882999   44.047462
C         2.337041   -2.737346   46.026395
H         2.024659   -2.673105   47.075356
H         1.850685   -1.938905   45.450298
H         2.052776   -3.711475   45.609214
C         7.805681   -5.840716   42.515011
H         8.885897   -5.641316   42.485321
H         7.647061   -6.880791   42.198951
H         7.314430   -5.163751   41.804384
C         8.059566   -6.947597   45.094150
H         7.727063   -7.906661   44.675803
H         9.144790   -6.850253   44.949680
H         7.858758   -6.927745   46.171092
H        10.070454    0.011296   47.739867

219
Au10T-I9
Au        2.314607    1.065469   45.023585
Au        5.185000    1.466097   44.919563
Au        3.384750    3.600381   45.367876
Au        4.264160    2.907364   42.757330
Au        6.626074    1.232752   47.642269
Au       -3.415090   -1.368076   43.220776
Au        7.822017    0.588451   45.025034
Au        3.810293    1.542429   47.354836
Au        5.772102   -0.936873   46.259376
Au        6.933169    2.215917   42.887830
P         3.076401    3.855286   40.975255
P         7.542846    2.879873   49.038842
P        -4.611992   -0.205095   44.820671
P        10.101909    0.119719   44.806423
P         2.830776    5.844626   45.147637
P         0.320388    0.088339   44.262251
P         3.094654    1.769055   49.597436
P         8.753841    2.678092   41.467393
C         5.533772    3.632360   50.971429
C         2.084246    6.408559   41.879994
H         6.600119    0.228699   53.915354
C         5.964593    0.525909   53.080844
C         6.133489    1.774625   52.483623
C         5.324944    2.212423   51.418727
C         4.276648    1.364891   50.969146
C         4.128772    0.101754   51.577539
H         3.328738   -0.564676   51.259574
C         4.956365   -0.318286   52.618618
H         4.791544   -1.290786   53.083219
C        -2.504484   -2.357116   41.753081
C        -2.086698   -2.998951   40.792478
H         0.564934   -6.116385   37.279470
C         1.088701    7.401089   41.901522
H         6.894500    2.454850   52.869030
C        -0.187433    7.175701   41.386461
C        -0.491718    5.933197   40.831881
C         1.795438    5.167376   41.254623
H        13.507540    1.897373   43.030776
C         3.421908    6.799106   42.441495
C         5.911870    7.813788   43.312557
H        12.421511    0.882135   40.370171
H         6.865073    8.210471   43.664002
H        -0.631642    1.694088   47.240203
H        -1.634171    3.959171   47.487961
C         5.522648    7.978082   41.983530
C         4.293431    7.471760   41.564494
C         6.552484    5.426228   49.684407
H         7.232899    5.773355   48.909057
C        -1.651097   -2.669346   47.463307
C        -2.213567   -1.412616   47.248292
C        -1.700346   -0.516386   46.292013
C        -0.561250   -0.908878   45.544611
C         0.011497   -2.170448   45.793396
H         0.897763   -2.483668   45.241365
C        -0.528001   -3.049989   46.728651
H        -0.070507   -4.027786   46.880960
H         4.203460    4.292923   52.527311
H         4.462578    6.710601   52.045167
C        10.404327    3.061686   42.220618
C        10.626348    4.416101   42.545983
H         9.833353    5.147500   42.395401
C        11.853859    4.863940   43.030154
H        11.995425    5.921469   43.255872
C        12.905985    3.959633   43.183036
C        12.692910    2.611649   42.902559
C        11.445570    2.130005   42.464140
H        -3.062724   -1.090980   47.851819
C        -2.338642    0.838712   46.253065
C        -3.648038    1.079773   45.760565
C        -4.194301    2.366992   45.908241
H        -5.194968    2.579486   45.535587
C        -3.485246    3.399697   46.524452
H        -3.946690    4.381356   46.636564
C        -2.195219    3.162844   46.997040
C        -1.635026    1.892393   46.858961
C        10.714191   -1.633656   42.747136
H        10.260301   -2.365067   43.414483
C        10.767084   -0.274722   43.120684
C        11.343123    0.655263   42.216994
C        11.932306    0.168738   41.035843
C        11.897758   -1.182496   40.696335
C        11.260453   -2.086403   41.547429
H        11.212615   -3.146169   41.294506
H        12.363849   -1.525349   39.772248
C         5.838589    6.381334   50.407774
H         5.969074    7.440125   50.182353
H        13.886000    4.300699   43.517507
H         0.241293    4.002810   40.284638
H        -2.081044   -3.339488   48.208402
C         3.800485    6.672633   43.803145
C         5.058014    7.167002   44.203328
H         5.377352    7.059327   45.239241
H         1.332831    8.372558   42.333834
H        -0.935942    7.968537   41.415896
C         4.996872    5.975627   51.442640
C         4.853198    4.615420   51.712319
H         6.160550    8.513033   41.279378
H         3.970723    7.626197   40.534212
H        -1.485441    5.734051   40.429188
C         0.494917    4.948807   40.759245
C         6.438512    4.049582   49.960914
C        -1.634043   -3.796039   39.652701
C        -0.959130   -6.114786   38.833871
C        -1.406075   -5.279422   40.040459
C        -0.365684   -3.210293   38.982558
C         0.077206   -4.056788   37.780575
C         0.292066   -5.526691   38.166921
H        -2.442396   -3.774504   38.896762
H        -1.779249   -6.156082   38.096801
H        -0.774491   -7.153073   39.147910
H        -0.636393   -5.317450   40.830871
H        -2.329296   -5.685888   40.477698
H         0.442837   -3.178950   39.735139
H        -0.560832   -2.171175   38.676262
H         0.996538   -3.635475   37.344261
H        -0.694171   -3.997456   36.993965
H         1.144189   -5.598973   38.866464
C        -5.494937   -1.237009   46.067702
H        -6.247041   -1.829324   45.529312
H        -4.799201   -1.926828   46.554905
H        -5.993568   -0.608529   46.816835
C        -6.003771    0.718682   44.048644
H        -6.671376    1.173878   44.791495
H        -5.622781    1.483168   43.361086
H        -6.578151   -0.010485   43.462208
C        -0.823056    1.315913   43.521329
H        -1.750521    0.803877   43.218343
H        -1.041920    2.133284   44.213314
H        -0.322849    1.718482   42.631161
C         0.579958   -1.072843   42.863185
H         1.088078   -0.521379   42.061208
H         1.219484   -1.907984   43.166917
H        -0.385185   -1.466271   42.496895
C         2.209410    2.522007   40.045702
H         2.964753    1.765607   39.797142
H         1.443912    2.046277   40.669746
H         1.757586    2.892386   39.116280
C         4.172666    4.550262   39.664670
H         4.817807    5.328076   40.085898
H         4.798055    3.732377   39.283917
H         3.574471    4.966584   38.843626
C         3.134591    6.885343   46.639111
H         2.430709    6.555181   47.414557
H         4.149952    6.742934   47.022773
H         2.964675    7.947520   46.417714
C         1.030155    6.092750   44.883144
H         0.528406    5.719216   45.784943
H         0.791263    7.153897   44.744053
H         0.677935    5.520350   44.021230
C         8.417239    4.161506   40.422199
H         8.123396    5.019130   41.035770
H         9.290218    4.421689   39.809683
H         7.572958    3.909633   39.767976
C         8.976753    1.381958   40.180412
H         8.042158    1.348928   39.604759
H         9.808191    1.626347   39.507589
H         9.143363    0.400452   40.633484
C        11.169196    1.414725   45.561476
H        12.231458    1.169853   45.436787
H        10.963826    2.397619   45.128113
H        10.926938    1.434260   46.632220
C        10.574642   -1.353098   45.811656
H        10.398640   -1.092326   46.863147
H         9.947761   -2.217968   45.571771
H        11.633112   -1.607157   45.665711
C         8.736450    2.246136   50.293518
H         9.156858    3.073681   50.880044
H         8.242874    1.533373   50.961240
H         9.544980    1.728780   49.760113
C         8.626308    3.967343   48.019945
H         9.354532    3.313565   47.523464
H         8.042208    4.469741   47.239562
H         9.163786    4.705175   48.630863
C         1.644457    0.674816   49.909720
H         0.839774    1.014446   49.245163
H         1.867359   -0.366036   49.651534
H         1.306008    0.740746   50.952179
C         2.363107    3.424986   49.937650
H         1.518773    3.541688   49.245620
H         2.002158    3.493970   50.971662
H         3.090393    4.218381   49.746125
C         4.980737   -4.972543   45.720590
C         4.187818   -6.094979   46.024996
C         2.911891   -6.267405   45.489126
C         2.402606   -5.311148   44.611441
C         3.175494   -4.194671   44.287662
C         4.461829   -4.000572   44.823511
C         6.369856   -4.980755   46.292987
C         7.202688   -6.023179   45.842580
C         8.494821   -6.205540   46.333949
C         8.983081   -5.339966   47.312288
C         8.172239   -4.307626   47.785060
C         6.863986   -4.109698   47.301262
H         4.595838   -6.850642   46.697771
H         2.329022   -7.152857   45.745038
H         1.417505   -5.440021   44.161568
H         2.774976   -3.476555   43.573423
H         6.813492   -6.704601   45.084501
H         9.108294   -7.027487   45.963624
H         9.983606   -5.476402   47.723711
H         8.566191   -3.660639   48.567870
P         5.910659   -2.672635   47.956075
P         5.385392   -2.467494   44.376814
C         4.287672   -3.339176   48.523683
H         4.434599   -4.178224   49.216333
H         3.754852   -2.527810   49.036251
H         3.689506   -3.669128   47.668604
C         6.725407   -2.249025   49.552074
H         7.704806   -1.792684   49.370735
H         6.093419   -1.497668   50.043201
H         6.831585   -3.125389   50.205567
C         4.500186   -1.755398   42.932110
H         5.127273   -0.932456   42.563568
H         4.341527   -2.493344   42.134059
H         3.546194   -1.317421   43.250049
C         6.952136   -3.056804   43.601327
H         6.735823   -3.750611   42.778114
H         7.486112   -2.176823   43.219843
H         7.574230   -3.562297   44.347493

219
Au10T-TS3-4
Au        3.032424    1.622000   45.156240
Au        5.687816    2.603170   45.084494
Au        3.642783    4.394018   44.526695
Au        6.109808    4.437288   43.043417
Au        6.596786    1.587039   47.614320
Au        2.752948   -2.540568   47.525576
Au        7.988571    1.046314   45.162770
Au        3.921685    3.307252   47.157257
Au        5.313579   -0.082989   45.815257
Au        8.101311    3.903009   44.890466
P         6.384906    5.526560   40.973819
P         7.467175    1.745038   49.784311
P         4.122730   -0.395885   43.352341
P        10.168242    0.566761   44.425546
P         2.650539    6.138615   43.326400
P         0.802820    0.987949   44.678099
P         3.901250    4.271154   49.269936
P        10.072101    5.022128   45.443662
C         6.294946    3.664699   51.618429
C         4.245398    7.406256   40.569230
H         3.465246    0.630788   53.684372
C         3.608744    1.292330   52.829645
C         4.768890    2.056192   52.727178
C         4.996131    2.920929   51.639096
C         3.978139    3.063905   50.667273
C         2.831358    2.248673   50.760927
H         2.064512    2.313160   49.986320
C         2.643993    1.367936   51.822198
H         1.745272    0.752651   51.867307
C         4.573595   -2.007637   46.784165
C         5.767687   -2.376922   46.707050
H        10.808098   -4.315728   46.950580
C         3.289204    8.029107   39.750361
H         5.537014    1.980504   53.498243
C         3.032333    7.583562   38.452995
C         3.741060    6.493763   37.949068
C         5.002625    6.330004   40.038662
H        14.004553    2.117018   44.314250
C         4.459805    7.994946   41.932963
C         4.930546    9.338000   44.376628
H        12.768353    4.539633   42.596952
H         5.104704    9.847187   45.325117
H        -0.347691   -2.429342   42.036893
H         0.304621   -4.677436   42.845265
C         5.509112    9.814121   43.198393
C         5.275969    9.141486   42.000570
C         8.580272    4.059844   50.895915
H         9.455850    3.779082   50.312779
C         0.054438    0.959971   40.079038
C         0.689317   -0.128610   40.676539
C         0.927496   -0.182190   42.061105
C         0.486729    0.900918   42.865478
C        -0.160336    1.988967   42.249455
H        -0.530292    2.815339   42.854913
C        -0.379200    2.022327   40.871870
H        -0.906270    2.866500   40.425770
H         5.561517    5.050550   53.090531
H         7.639778    6.406989   53.176987
C        11.650669    4.111717   45.773843
C        12.324037    4.339162   46.989740
H        11.884277    4.987743   47.745530
C        13.574119    3.775076   47.248776
H        14.075325    3.979167   48.195565
C        14.189388    2.985137   46.278037
C        13.526363    2.733837   45.076860
C        12.247238    3.253548   44.814708
H         1.008238   -0.972482   40.063082
C         1.489867   -1.462151   42.603555
C         2.779472   -1.654880   43.162146
C         3.108035   -2.930392   43.667451
H         6.425542    3.500408   39.585534
C         2.235677   -4.011439   43.567592
H         2.536608   -4.987032   43.950829
C         0.992056   -3.838530   42.958678
C         0.631448   -2.575602   42.495138
C        10.356310    1.617716   41.889220
H         9.685254    0.788012   41.666312
C        10.797951    1.823814   43.211816
C        11.645568    2.929695   43.477631
C        12.066592    3.728436   42.396846
C        11.647541    3.488024   41.089561
C        10.773488    2.429928   40.837045
H        10.441100    2.215628   39.820630
H        12.016195    4.111651   40.274433
C         8.661735    5.191118   51.707972
H         9.581161    5.776611   51.731463
H        15.181972    2.568513   46.451172
H         5.277715    5.051564   38.305831
H        -0.116644    0.967092   39.002115
C         3.832287    7.546507   43.119835
C         4.107991    8.216328   44.329524
H         3.659570    7.855386   45.256984
H         2.740007    8.884571   40.147122
H         2.286227    8.089860   37.839888
C         7.578861    5.544294   52.513105
C         6.413665    4.779765   52.464729
H         6.133412   10.707943   43.209202
H         5.719615    9.514817   41.076201
H         3.553987    6.130676   36.938147
C         4.718910    5.881501   38.734421
C         7.417040    3.266231   50.846905
C         7.033324   -3.108450   46.828727
C         9.205903   -3.408526   48.108473
C         7.968104   -2.523134   47.912741
C         7.790798   -3.306909   45.497021
C         9.036437   -4.182924   45.696611
C         9.960851   -3.633594   46.791809
H         6.721863   -4.113428   47.177693
H         8.890586   -4.383110   48.517320
H         9.872981   -2.963023   48.861654
H         8.259995   -1.504878   47.599952
H         7.407312   -2.427447   48.853871
H         8.071049   -2.310777   45.112049
H         7.121374   -3.764188   44.753642
H         9.581300   -4.282736   44.745607
H         8.718656   -5.202990   45.970169
H        10.395347   -2.674158   46.457969
C         5.595491   -1.309605   42.675390
H         6.430914   -0.597222   42.650300
H         5.877315   -2.140630   43.328987
H         5.385864   -1.684176   41.664587
C         3.944402    0.838373   41.980497
H         3.879396    0.336438   41.006158
H         3.072136    1.481949   42.125876
H         4.844526    1.467323   42.020082
C         0.102344   -0.534977   45.436536
H        -0.929742   -0.685647   45.092557
H         0.714140   -1.407323   45.185472
H         0.110785   -0.398605   46.525964
C        -0.340726    2.280988   45.317765
H        -0.269849    2.253266   46.412765
H        -0.017426    3.275141   44.989220
H        -1.380468    2.095852   45.016459
C         7.122655    4.320911   39.792373
H         8.008970    3.901279   40.285935
H         4.071805   -3.082463   44.151579
H         7.426695    4.801224   38.853020
C         7.701965    6.815623   41.050619
H         7.410523    7.612397   41.742865
H         8.619159    6.339089   41.419146
H         7.879042    7.238829   40.053070
C         1.167122    6.941803   44.073740
H         0.372485    6.189003   44.156996
H         1.392078    7.320425   45.076366
H         0.821325    7.770896   43.441921
C         1.995527    5.566369   41.710100
H         1.248968    4.792605   41.933325
H         1.523351    6.383297   41.151505
H         2.788685    5.118098   41.104090
C         9.766408    6.030932   46.954153
H         9.535845    5.386807   47.810731
H        10.612938    6.688704   47.191356
H         8.883509    6.648753   46.745933
C        10.548773    6.323634   44.226907
H         9.707250    7.021142   44.126264
H        11.439380    6.864209   44.573758
H        10.753032    5.866862   43.252933
C        11.349416    0.402080   45.823826
H        12.368720    0.209563   45.468360
H        11.341827    1.297606   46.452012
H        11.005043   -0.453799   46.419320
C        10.433735   -1.028911   43.537371
H        10.254914   -1.842007   44.251893
H         9.731302   -1.145397   42.705673
H        11.463098   -1.092378   43.160070
C         6.880208    0.340916   50.818994
H         7.358087    0.358634   51.807135
H         5.792637    0.362316   50.928672
H         7.160126   -0.579208   50.290103
C         9.267840    1.361917   49.659772
H         9.344741    0.359891   49.219207
H         9.775780    2.063143   48.989126
H         9.749774    1.364642   50.646442
C         2.357957    5.213765   49.633596
H         2.251681    6.006476   48.882153
H         1.480304    4.561283   49.578479
H         2.414704    5.660797   50.635273
C         5.175554    5.582836   49.427786
H         4.961890    6.308063   48.631418
H         5.123584    6.082933   50.402039
H         6.178504    5.175073   49.271297
C        -0.619722   -0.212484   50.168093
C        -1.675715   -0.637143   50.973491
C        -1.932064   -2.002068   51.109536
C        -1.162690   -2.976345   50.449169
C        -0.111197   -2.536017   49.601947
C         0.152229   -1.158952   49.493127
H        -0.404025    0.851280   50.058000
H        -2.300355    0.087211   51.497680
H        -2.757103   -2.337073   51.739553
H         0.987597   -0.836057   48.866651
C        -1.563645   -4.409042   50.659700
C        -1.029143   -5.190283   51.715737
C        -2.582759   -4.938608   49.850215
C        -1.501293   -6.504884   51.872852
C        -3.042342   -6.245362   50.030841
H        -3.030885   -4.309206   49.078830
C        -2.489456   -7.034466   51.039910
H        -1.100426   -7.131502   52.669573
H        -3.834729   -6.638785   49.393197
H        -2.839360   -8.055982   51.193852
P         0.928287   -3.608444   48.517311
P         0.287791   -4.452588   52.818860
C        -0.769978   -3.750224   54.189712
H        -1.307361   -2.863478   53.832156
H        -1.492005   -4.483107   54.574367
H        -0.104323   -3.438028   55.006569
C         0.951881   -5.950417   53.702296
H         1.438312   -6.628969   52.989455
H         1.719967   -5.596412   54.403945
H         0.195049   -6.503759   54.275137
C         1.548784   -5.054011   49.459325
H         2.085778   -4.701512   50.348355
H         0.722567   -5.704823   49.767601
H         2.238983   -5.608144   48.809687
C        -0.213252   -4.342427   47.275443
H        -0.975028   -4.953302   47.775364
H        -0.697597   -3.544772   46.700136
H         0.372262   -4.969985   46.591067

219
Au10T-TS5-6
Au        3.328910    1.787298   44.340197
Au        5.954519    2.743120   44.750036
Au        3.788308    4.546910   44.827856
Au        5.821861    4.718850   42.834742
Au        6.822719    1.996856   47.425682
Au        6.421008   -3.205775   47.179169
Au        8.291823    1.204260   45.133412
Au        4.039385    2.584116   46.909204
Au        5.616783    0.154533   45.717625
Au        8.255097    3.600769   43.562250
P         5.330932    6.098000   40.991596
P         7.643111    3.303890   49.176893
P         4.993055   -0.365821   42.965327
P        10.289741   -0.048345   45.144198
P         2.893366    6.702339   44.815209
P         1.378164    1.193686   43.190046
P         3.221191    2.495949   49.101546
P        10.488208    3.862000   42.920705
C         5.592469    3.663435   51.165620
C         3.590965    8.218341   41.870586
H         6.234540   -0.574573   52.930020
C         5.710187    0.020193   52.181454
C         5.946613    1.391030   52.087602
C         5.277777    2.197876   51.149261
C         4.287074    1.604417   50.325711
C         4.092009    0.211739   50.405062
H         3.369648   -0.273937   49.751088
C         4.793088   -0.575415   51.316105
H         4.602768   -1.647832   51.362826
C         4.987895   -1.658742   46.494315
C         4.204876   -2.558483   46.890212
H        -0.274960   -4.784836   48.895223
C         2.529095    9.110559   41.645709
H         6.655942    1.866009   52.767062
C         1.676104    8.976933   40.550095
C         1.877402    7.930629   39.650174
C         3.837233    7.195836   40.918308
H        13.953422    1.599147   45.868995
C         4.443466    8.476655   43.079288
C         6.072468    9.230229   45.260584
H        14.208908    2.015910   42.730988
H         6.691429    9.516089   46.111664
H         0.910675   -2.378536   40.664268
H         1.221736   -4.568923   41.776191
C         6.300086    9.783967   44.000964
C         5.489627    9.406033   42.931297
C         6.728622    5.670680   50.398160
H         7.437510    6.171280   49.741586
C         2.031970    0.793006   38.598226
C         2.422376   -0.248652   39.439978
C         2.247574   -0.183920   40.833177
C         1.628351    0.968709   41.381087
C         1.241646    2.014242   40.521202
H         0.755535    2.901593   40.923686
C         1.437876    1.931422   39.142736
H         1.102162    2.744323   38.497713
H         4.259930    3.960203   52.828396
H         4.655417    6.405710   52.998440
C        11.671123    3.604704   44.321897
C        11.769810    4.705292   45.198961
H        11.167083    5.596014   45.017531
C        12.637817    4.702446   46.287613
H        12.709829    5.582303   46.927865
C        13.434689    3.581439   46.528901
C        13.324437    2.473023   45.692221
C        12.435811    2.444751   44.599670
H         2.868955   -1.148680   39.014776
C         2.585359   -1.418345   41.617230
C         3.676295   -1.594559   42.508108
C         3.805478   -2.838629   43.163228
H         4.339561    4.343311   39.589088
C         2.940260   -3.901702   42.915659
H         3.089243   -4.854838   43.424376
C         1.898958   -3.744098   41.999762
C         1.730612   -2.513670   41.371216
C        11.768219   -0.965463   42.944729
H        11.109163   -1.829604   43.001390
C        11.608510    0.105628   43.846550
C        12.478139    1.222001   43.729898
C        13.514942    1.175211   42.781699
C        13.669422    0.098381   41.909511
C        12.776144   -0.969628   41.979707
H        12.872951   -1.818213   41.301694
H        14.482285    0.096119   41.182391
C         6.042769    6.439961   51.339411
H         6.217729    7.515172   51.391060
H        14.145846    3.573333   47.355663
H         3.108923    6.275485   39.092636
H         2.176202    0.705175   37.521010
C         4.185280    7.949640   44.370159
C         5.027364    8.326134   45.435710
H         4.860829    7.912412   46.429890
H         2.375984    9.926681   42.353671
H         0.862676    9.687020   40.401043
C         5.167895    5.822368   52.232842
C         4.950524    4.447994   52.138870
H         7.093261   10.517241   43.851843
H         5.645024    9.858115   41.950729
H         1.217288    7.805523   38.790975
C         2.952178    7.059783   39.830933
C         6.541942    4.277728   50.309437
C         3.095035   -3.446278   47.274062
C         0.577285   -3.786016   47.163426
C         1.743118   -2.859559   46.789334
C         3.052135   -3.734034   48.794752
C         1.879501   -4.655387   49.155373
C         0.541100   -4.084506   48.667964
H         3.237444   -4.411838   46.754797
H         0.673559   -4.732433   46.604808
H        -0.370841   -3.332048   46.839368
H         1.604673   -1.870175   47.257160
H         1.785356   -2.700573   45.702695
H         2.951906   -2.773106   49.327257
H         4.009886   -4.174086   49.110644
H         1.855157   -4.815570   50.243003
H         2.042251   -5.646896   48.699486
H         0.317192   -3.155554   49.220871
C         6.528715   -1.396794   42.733362
H         7.383739   -0.710810   42.812025
H         6.615303   -2.143301   43.530351
H         6.529127   -1.892357   41.753034
C         5.213226    0.767515   41.516984
H         4.361190    1.446443   41.414907
H         6.103870    1.371677   41.739495
H         5.359682    0.207197   40.583886
C         0.398903   -0.235005   43.810022
H        -0.517566   -0.348643   43.215544
H         0.986586   -1.156204   43.762210
H         0.134815   -0.030458   44.855691
C         0.172814    2.575273   43.354186
H        -0.090187    2.645325   44.417482
H         0.636014    3.523143   43.059261
H        -0.736554    2.394734   42.765188
C         5.199778    5.017767   39.504385
H         6.110176    4.405941   39.476014
H         4.609458   -2.978714   43.885319
H         5.133783    5.600010   38.575928
C         6.730181    7.203570   40.518232
H         6.973699    7.878909   41.344744
H         7.602485    6.571123   40.308416
H         6.473837    7.786218   39.623469
C         2.275670    7.249398   46.464814
H         1.383625    6.651081   46.692479
H         3.019084    7.062447   47.246165
H         2.008892    8.314490   46.452840
C         1.391058    6.917627   43.777993
H         0.621394    6.261254   44.206141
H         1.034926    7.955113   43.803403
H         1.579347    6.620167   42.741986
C        10.936097    5.535402   42.282624
H        10.647648    6.321989   42.987677
H        12.013794    5.598098   42.081104
H        10.380748    5.692559   41.348753
C        10.931278    2.802273   41.486653
H        10.280059    3.116244   40.659638
H        11.979343    2.938172   41.194368
H        10.740937    1.746305   41.701337
C        11.172380    0.073845   46.758217
H        12.049522   -0.586251   46.761015
H        11.484395    1.104757   46.950353
H        10.473070   -0.247808   47.540966
C         9.836706   -1.832804   45.132508
H         9.124678   -1.972734   45.957816
H         9.324135   -2.102493   44.202229
H        10.711221   -2.480102   45.294401
C         8.780106    2.405181   50.316106
H         9.203547    3.092463   51.060364
H         8.235964    1.600589   50.821900
H         9.586431    1.968009   49.713414
C         8.766079    4.553121   48.422950
H         9.493514    4.000997   47.814543
H         8.203912    5.215489   47.753898
H         9.299670    5.139459   49.182440
C         1.624823    1.571898   49.149116
H         0.889233    2.166897   48.592554
H         1.717384    0.599435   48.654296
H         1.278972    1.434901   50.182177
C         2.708757    4.119027   49.799208
H         1.908067    4.495620   49.148839
H         2.324277    4.010140   50.821113
H         3.537925    4.831993   49.789807
C         9.939633   -2.254840   50.336544
C        11.089523   -2.935520   50.734618
C        11.364192   -4.195882   50.202117
C        10.513490   -4.813645   49.268934
C         9.335718   -4.122598   48.879473
C         9.074848   -2.848328   49.416860
H         9.706103   -1.273572   50.750351
H        11.768700   -2.495959   51.466213
H        12.252106   -4.738860   50.527841
H         8.166632   -2.322750   49.111867
C        10.881820   -6.203448   48.832706
C        11.768721   -6.454443   47.755188
C        10.408039   -7.276670   49.605877
C        12.095736   -7.790031   47.462496
C        10.752404   -8.595430   49.301604
H         9.775410   -7.068466   50.470909
C        11.592714   -8.851582   48.218169
H        12.766842   -8.014919   46.633916
H        10.375657   -9.414224   49.915301
H        11.873652   -9.875823   47.969426
P         8.020234   -4.782630   47.769108
P        12.419589   -5.024492   46.746797
C        13.967825   -4.587940   47.696420
H        13.704167   -4.082647   48.633101
H        14.578778   -5.472878   47.919157
H        14.556985   -3.889306   47.085545
C        13.208955   -5.881463   45.296255
H        12.449011   -6.395253   44.693185
H        13.665765   -5.103072   44.669659
H        13.995108   -6.595438   45.577741
C         8.767434   -5.586801   46.300303
H         9.450423   -4.884967   45.807044
H         9.323114   -6.486068   46.589445
H         7.955014   -5.855835   45.612681
C         7.195518   -6.159240   48.666010
H         7.915028   -6.960678   48.873642
H         6.775439   -5.784446   49.607002
H         6.382308   -6.548095   48.039445

219
Au10T-TS9-10
Au        2.991308   -0.033948   45.302604
Au        5.411045    1.473383   45.088858
Au        2.926287    2.830173   44.997847
Au        4.607792    2.577314   42.711414
Au        6.733569    1.812012   47.631747
Au       -3.263526   -0.994897   43.199981
Au        8.040217    0.559973   45.492577
Au        3.797060    1.669383   47.467980
Au        5.587590   -0.631452   46.854669
Au        7.324266    2.262276   43.299840
P         3.558154    3.204658   40.703519
P         7.730377    3.319794   49.112966
P        -4.225597   -0.442173   45.227210
P        10.254159   -0.106132   45.076541
P         1.786134    4.815327   44.521389
P         0.711868   -0.562807   44.823668
P         3.327868    2.518200   49.611077
P         9.125964    2.921664   41.945064
C         5.882076    4.150538   51.158136
C         1.712408    5.359691   41.199529
H         6.560949    0.509440   53.931959
C         5.990391    0.902846   53.090286
C         6.273532    2.170822   52.587345
C         5.548179    2.731810   51.517976
C         4.475154    1.988251   50.964969
C         4.219177    0.696029   51.469394
H         3.403548    0.104883   51.051946
C         4.957822    0.156457   52.519892
H         4.708932   -0.831139   52.909886
C        -2.592171   -1.489510   41.394092
C        -2.318861   -1.856592   40.254469
H        -0.353080   -4.178468   35.801938
C         0.517641    6.039971   40.908838
H         7.062993    2.768101   53.045923
C        -0.489133    5.459361   40.137581
C        -0.313944    4.167926   39.641904
C         1.924101    4.078581   40.627529
H        13.711245    1.146621   43.092073
C         2.711011    6.082262   42.054321
C         4.569844    7.637628   43.503444
H        12.171345    0.596794   40.433638
H         5.283063    8.233084   44.074367
H        -0.265279    1.091682   47.958742
H        -1.165605    3.396209   48.269838
C         4.446693    7.809932   42.124436
C         3.527264    7.035693   41.418105
C         6.977230    5.911017   49.886863
H         7.640330    6.236371   49.087498
C        -1.381258   -3.141843   48.093068
C        -1.906028   -1.875080   47.848195
C        -1.359136   -1.006837   46.881790
C        -0.219571   -1.442887   46.160131
C         0.312038   -2.718758   46.436190
H         1.197980   -3.057342   45.894687
C        -0.261494   -3.568975   47.377307
H         0.166585   -4.555900   47.554432
H         4.680029    4.843468   52.801894
H         5.104289    7.253897   52.393132
C        10.869041    2.965440   42.580761
C        11.395209    4.227495   42.925339
H        10.770492    5.116454   42.860201
C        12.722764    4.386944   43.322329
H        13.099028    5.381035   43.565501
C        13.568042    3.278677   43.364996
C        13.056649    2.018964   43.057020
C        11.709638    1.827733   42.700926
H        -2.757052   -1.524260   48.432671
C        -1.951948    0.372905   46.845020
C        -3.226648    0.699306   46.308423
C        -3.712652    2.007808   46.492670
H        -4.685481    2.286298   46.092482
C        -2.986980    2.976264   47.187619
H        -3.411015    3.970812   47.329703
C        -1.734842    2.653749   47.707810
C        -1.233074    1.363753   47.534444
C        10.400035   -1.786370   42.894029
H         9.916367   -2.480730   43.580560
C        10.697572   -0.473796   43.316544
C        11.301037    0.416698   42.392437
C        11.658524   -0.075711   41.122579
C        11.385246   -1.384697   40.732167
C        10.733156   -2.241205   41.620442
H        10.507453   -3.268692   41.333403
H        11.684672   -1.733599   39.743306
C         6.371225    6.886924   50.678797
H         6.562970    7.941561   50.478919
H        14.618752    3.391881   43.633519
H         1.011032    2.504691   39.442162
H        -1.837642   -3.784234   48.846770
C         2.796552    5.951109   43.463785
C         3.752411    6.718954   44.158066
H         3.855160    6.612089   45.237691
H         0.381002    7.046021   41.308626
H        -1.405176    6.013121   39.928486
C         5.555221    6.503947   51.742709
C         5.319498    5.148670   51.972007
H         5.052052    8.551164   41.601729
H         3.412202    7.180638   40.342824
H        -1.094952    3.689144   39.050849
C         0.886248    3.494963   39.875539
C         6.768510    4.537707   50.121036
C        -2.033537   -2.327358   38.899261
C        -1.856410   -4.356916   37.365944
C        -2.128304   -3.871809   38.795973
C        -0.660961   -1.835648   38.375275
C        -0.395639   -2.328314   36.945577
C        -0.502799   -3.856877   36.842960
H        -2.808995   -1.904900   38.231973
H        -2.660011   -3.996867   36.701267
H        -1.897157   -5.455725   37.332359
H        -1.392806   -4.312833   39.490235
H        -3.120975   -4.198018   39.137122
H         0.124387   -2.214577   39.052984
H        -0.626456   -0.736213   38.422586
H         0.597595   -1.990605   36.609642
H        -1.128372   -1.865969   36.262500
H         0.307968   -4.318911   37.433838
C        -4.789912   -1.870771   46.243436
H        -5.550048   -2.397151   45.650393
H        -3.963646   -2.560754   46.435966
H        -5.235701   -1.534747   47.188541
C        -5.813758    0.441173   44.939220
H        -6.318511    0.709492   45.876714
H        -5.661556    1.330669   44.316944
H        -6.453177   -0.251579   44.376186
C        -0.183460    0.954215   44.319224
H        -1.226336    0.712764   44.061566
H        -0.136781    1.713291   45.105026
H         0.329795    1.327894   43.423350
C         0.422385   -1.632689   43.357104
H         1.007265   -1.248359   42.511544
H         0.713454   -2.665256   43.570803
H        -0.644019   -1.609926   43.079127
C         3.331476    1.689097   39.681727
H         4.306986    1.189117   39.630851
H         2.619640    1.003124   40.155048
H         2.999779    1.927656   38.662643
C         4.643585    4.226293   39.616197
H         4.914047    5.157467   40.124978
H         5.556140    3.652073   39.408957
H         4.132823    4.455408   38.671371
C         1.420202    5.822949   46.023257
H         0.677879    5.267972   46.611756
H         2.315844    5.961921   46.637272
H         1.007625    6.802023   45.745488
C         0.099441    4.626402   43.816667
H        -0.505121    4.118632   44.579904
H        -0.342916    5.605661   43.595957
H         0.109450    4.015679   42.909524
C         8.822797    4.645051   41.364363
H         8.688927    5.328869   42.209938
H         9.635224    5.000907   40.716952
H         7.883829    4.627762   40.797253
C         9.168972    2.003792   40.348617
H         8.210022    2.183028   39.845331
H         9.988332    2.365756   39.714035
H         9.280825    0.929508   40.520124
C        11.444808    1.111265   45.771765
H        12.481832    0.804664   45.588664
H        11.277453    2.109296   45.356051
H        11.261896    1.138180   46.854354
C        10.745447   -1.637953   45.978723
H        10.693762   -1.413225   47.052105
H        10.055273   -2.462991   45.773982
H        11.769250   -1.935024   45.714137
C         8.869967    2.495896   50.304604
H         9.392777    3.246347   50.912381
H         8.312938    1.814980   50.956212
H         9.601179    1.915172   49.727681
C         8.898520    4.343984   48.123665
H         9.562803    3.645618   47.599690
H         8.358704    4.926015   47.367733
H         9.499918    5.008624   48.758413
C         1.668639    2.018874   50.247894
H         0.914961    2.472985   49.592427
H         1.537108    0.932366   50.215099
H         1.522051    2.376323   51.275599
C         3.162855    4.348710   49.600746
H         2.354576    4.576148   48.893203
H         2.899146    4.734615   50.592763
H         4.083576    4.826126   49.251801
C         4.829206   -4.836439   45.607540
C         4.196369   -6.067543   45.885846
C         2.969235   -6.422577   45.331663
C         2.345637   -5.543170   44.446977
C         2.947694   -4.318933   44.165326
C         4.179088   -3.926486   44.729770
C         6.225091   -4.740837   46.163711
C         7.139304   -5.655362   45.603829
C         8.436217   -5.806234   46.091479
C         8.852112   -5.037737   47.178465
C         7.969581   -4.120872   47.748005
C         6.655433   -3.956931   47.265261
H         4.705979   -6.769013   46.547846
H         2.521426   -7.387959   45.568869
H         1.404158   -5.811024   43.966050
H         2.458404   -3.658063   43.452951
H         6.803568   -6.273644   44.770378
H         9.106935   -6.536240   45.637369
H         9.850365   -5.164372   47.598775
H         8.309544   -3.541967   48.604807
P         5.627694   -2.652717   48.057044
P         4.731568   -2.204515   44.301712
C         4.011981   -3.411787   48.500833
H         4.168531   -4.301445   49.125766
H         3.430733   -2.666200   49.058253
H         3.457803   -3.689092   47.599212
C         6.383437   -2.358856   49.708153
H         7.356426   -1.866000   49.604295
H         5.720908   -1.669124   50.246811
H         6.488722   -3.291743   50.278281
C         4.223381   -2.015489   42.522686
H         4.678251   -1.078148   42.174344
H         4.584650   -2.853861   41.911923
H         3.138625   -1.920679   42.418633
C         6.559205   -2.355497   44.010695
H         6.767115   -3.178456   43.313418
H         6.895496   -1.402408   43.580395
H         7.094288   -2.518981   44.950912

181
Au10T
Au        2.497323    1.314395   45.144338
Au        5.149343    2.461415   45.249590
Au        2.865383    4.101406   45.104064
Au        5.005347    4.173959   43.123702
Au        6.595357    1.957606   47.719240
Au        1.607805   -0.686485   47.218273
Au        7.342323    0.698591   45.294279
Au        3.358425    2.525787   47.460650
Au        4.931253    0.034302   46.683556
Au        7.474020    3.381028   44.184352
P         4.608625    5.282092   41.086828
P         7.979139    2.738021   49.438946
P        -0.585102    0.064017   47.387433
P         9.051249   -0.456087   44.193488
P         1.839169    6.114691   44.534797
P         1.620684   -0.150807   43.501693
P         3.580758    3.212184   49.701171
P         9.662245    4.107000   43.803778
H         1.564963    7.095919   46.775416
H         9.032293    4.588494   48.234831
H        10.169316    3.872833   49.430446
C         6.574278   -5.401239   46.677299
C         7.888683   -4.953841   47.331206
C        11.106221    3.063186   44.316494
C        11.915914    3.534614   45.368983
H        11.661350    4.460503   45.881387
C        13.075291    2.864066   45.759198
H        13.688595    3.265389   46.566364
C        13.462950    1.707966   45.083307
H         5.714802    3.518652   39.885448
H         1.466221    2.549570   50.734470
H         1.405565    4.225010   50.113067
H         2.252912    3.864073   51.651815
C         9.386910    3.657171   48.691253
C         0.511988    5.889384   43.286423
H         0.023626    6.841341   43.046041
H         0.903495    5.435422   42.371145
C         0.915321    6.921973   45.911350
H         0.488844    7.877680   45.578332
H         0.107006    6.244267   46.215251
H         9.803030    3.020686   47.900667
C         9.563998    0.178391   40.170158
H         9.105853   -0.241329   39.274053
H         8.582630   -3.742828   49.004432
H         7.217540   -2.205098   47.576899
C         7.684970    5.853042   52.137837
H         8.207184    6.796837   52.296782
H         3.738882   -0.203804   42.377492
H         2.766114   -1.626639   41.888564
H         8.840056    5.374322   50.405054
C         2.021737    3.489496   50.645856
H         5.334919    4.850733   49.249813
C         8.037000    5.040259   51.058910
C        -1.444029    0.089462   44.658377
C        -1.396297    0.784636   45.892892
C        -2.049155    2.024791   46.003670
H        -2.024565    2.576596   46.941433
C        -2.768964    2.563955   44.936471
H        -3.285854    3.516224   45.059264
C        -2.851264    1.863285   43.733966
C        -2.192885    0.639955   43.604815
C         9.122485   -0.226550   41.428786
C         3.065640   -0.993674   42.734210
H         1.233025    8.968173   41.577200
C         0.874494    0.712168   42.054521
H        -0.146417    2.232338   48.422653
C         2.629235    7.335156   41.464640
C         1.524290    8.078120   41.017136
C         0.798387    7.703341   39.886090
C         1.175384    6.564096   39.175699
H         0.617518    6.251854   38.292645
C         2.296307    5.836307   39.578765
H         2.590236    4.973337   38.984377
C         3.051915    6.213450   40.705879
C         6.720738   -2.900729   48.275630
C         8.470040   -2.137583   43.712048
H         8.324282   -0.966149   41.478254
H         6.505269   -2.329882   49.190608
H         6.122914   -3.561462   45.602436
C         9.896723    5.707472   44.685770
C         6.686454    5.440152   53.018996
C         6.031186    4.228470   52.795793
H         4.700869   -4.557441   45.945462
H         6.776113   -5.966698   45.755744
C         7.392130    3.811167   50.826939
C         9.981403    4.614623   42.061539
C         6.347069    3.412633   51.697197
C         8.825371    1.322204   50.258566
C         9.701501    0.266630   42.615329
C        10.724551    1.246293   42.513943
C        11.179497    1.609300   41.233047
C        10.615589    1.088140   40.069503
H         9.361096    0.748328   49.491841
H         8.085185    0.671941   50.735670
H         6.419675    6.054196   53.879624
H         5.251834    3.898332   53.484362
H         6.856612    1.197631   53.031886
H         5.679059   -0.983923   53.002752
H         8.268251   -2.682031   44.643811
H        11.230820   -1.440174   44.737191
C        -1.712740   -1.254631   47.998485
C         5.657257   -4.211375   46.362404
H         0.571189   -0.013742   41.288473
H         3.601260   -1.586537   43.484267
H        -0.218518    5.205297   43.738615
C        12.662031    1.216903   44.052751
H         5.782688    6.898096   39.663474
C         3.058646    7.404103   44.009160
C         3.784423    7.973772   45.075132
H         3.612419    7.625600   46.094177
C         4.715408    8.988297   44.868354
C         5.343271   -0.176586   52.350923
C         6.004688    1.050536   52.366049
C         5.593118    2.126437   51.556125
C         4.458268    1.952674   50.729911
C         3.825189    0.694131   50.696128
H         2.981442    0.534455   50.020225
C         4.252813   -0.359901   51.498531
H         3.732526   -1.317015   51.461338
C         3.455300   -1.520179   47.256001
C         4.452302   -2.264559   47.384806
H         8.499355   -5.829377   47.592604
C        10.470670   -0.870778   45.287504
H        12.966466    0.318331   43.514543
H        14.387425    1.194400   45.349253
H        11.003800    1.384540   39.094447
H        12.010589    2.312401   41.160096
H        11.016293    4.962864   41.944323
H         9.292496    5.437115   41.829609
H         9.790226    3.783057   41.377157
H        10.892814    6.130973   44.501721
H        10.073949   -1.486795   46.104903
H        10.920136    0.032876   45.708177
H         9.729184    5.592854   45.762635
C        -0.733011    1.347224   48.694856
H         5.243290    9.423911   45.717534
C         4.945759    9.457162   43.573836
C         4.264443    8.878088   42.505157
C         3.336234    7.835236   42.688927
H         6.048345   -6.094472   47.354290
H         8.479453   -4.370911   46.601827
H        -3.439488    2.254637   42.903589
H        -2.274216    0.077463   42.673830
H        -2.725220   -2.179628   44.999321
H        -1.960264   -4.513335   44.644450
H         9.237379   -2.670684   43.135128
H         7.537604   -2.090269   43.140212
H         9.134645    6.395573   44.297348
C        11.465495    1.849642   43.673110
H         4.878107   -4.015292   48.363354
H         7.161764   -4.722486   49.356322
H        -1.691580   -2.111811   47.317848
H        -2.738108   -0.870990   48.084422
H        -1.355682   -1.579545   48.984780
H        -0.317332    0.915158   49.614037
H        -1.779499    1.621616   48.882114
H         9.534992    1.691922   51.010937
H        -0.054727    8.300564   39.562588
C         5.965044    6.453481   40.650640
H         6.039511    7.243502   41.405056
H         6.904803    5.887386   40.630323
C         4.757014    4.034594   39.739397
H         3.955114    3.290121   39.805961
H         4.750990    4.503654   38.746672
H         1.634932    1.389740   41.644387
H         0.008072    1.302062   42.370163
C        -1.276170   -3.683346   44.466699
C        -1.702343   -2.370575   44.671686
C        -0.853493   -1.273799   44.447811
C         0.453988   -1.513407   43.950514
C         0.873579   -2.843961   43.764967
H         1.875672   -3.058699   43.400982
C         0.024258   -3.919870   44.025455
H         0.375628   -4.939025   43.863287
C         5.392597   -3.363055   47.631353
C         7.631945   -4.097204   48.578719
H         4.432122    9.248446   41.492879
H         5.645610   10.274206   43.396400
C         4.369111    4.868261   49.763544
H         3.695038    5.542462   49.218161
H         4.497693    5.230275   50.789494

181
Au9T-I1
Au        3.201541    1.749705   44.050986
Au        5.362115    3.177244   45.219990
Au        2.927485    4.481465   44.789597
Au        5.504082    5.761400   44.210673
Au        6.004502    2.064750   47.800555
C        10.971645    0.584765   46.764742
Au        7.876489    1.889562   45.696574
Au        3.232022    2.349589   46.779309
Au        5.401892    0.384816   45.658036
Au        7.454953    3.781841   43.438731
P         5.551601    8.042415   43.683712
P         6.376436    2.539348   50.067287
P         4.941437   -1.754867   44.791908
P        10.174907    1.535567   45.402051
P         1.527195    6.290425   44.290355
P         2.110301    0.695232   42.261568
P         2.006386    2.114706   48.757493
P         8.782986    3.233805   41.606318
C         3.879009    2.699842   51.523366
C         2.944249    9.242059   43.292539
H         3.732136   -1.801768   52.602098
C         3.458422   -1.044802   51.866510
C         3.824258    0.284973   52.064569
C         3.480800    1.300671   51.151849
C         2.687059    0.954588   50.028125
C         2.351850   -0.400162   49.826224
H         1.760737   -0.687330   48.956988
C         2.730774   -1.392074   50.727662
H         2.433801   -2.427246   50.556809
H        10.880150    1.179622   47.682611
H        10.475863   -0.378197   46.924277
H        12.034180    0.419343   46.541877
C         2.029775    9.947331   42.492051
H         4.384035    0.562489   52.958647
C         2.295079   10.239059   41.154338
C         3.501515    9.826818   40.590213
C         4.196811    8.874425   42.735752
H        13.538689    2.020147   42.845645
C         2.551522    9.010896   44.720824
C         1.852687    8.825387   47.454851
H        11.886413    0.475524   40.734018
H         1.589721    8.739467   48.509418
H         0.294642   -2.814126   43.016511
H        -0.582643   -3.271781   45.288203
C         2.351983   10.025254   46.943337
C         2.697913   10.104466   45.596685
C         5.290567    4.681597   51.493448
H         6.175066    5.213399   51.148342
C         3.423022   -3.284328   40.205211
C         3.042201   -3.300555   41.547208
C         2.700090   -2.123874   42.234384
C         2.692481   -0.897014   41.521816
C         3.097629   -0.894379   40.172453
H         3.109116    0.032918   39.603239
C         3.466659   -2.071030   39.519736
H         3.760925   -2.037571   38.470359
H         2.168685    2.835345   52.820521
H         2.637485    5.151853   53.575493
C        10.593547    3.457367   41.900627
C        11.088872    4.755492   41.659666
H        10.417956    5.541126   41.313877
C        12.434318    5.070752   41.837597
H        12.786683    6.081558   41.631681
C        13.323627    4.081080   42.256946
C        12.846554    2.798267   42.519406
C        11.487140    2.465557   42.379500
H         3.002453   -4.248151   42.086911
C         2.277522   -2.282095   43.665409
C         3.141834   -2.179799   44.782511
C         2.616131   -2.413916   46.070514
H         3.263457   -2.310908   46.942949
C         1.291763   -2.797132   46.263085
H         0.923977   -3.006260   47.268115
C         0.449357   -2.944448   45.159111
C         0.944572   -2.684684   43.883285
C        10.298807   -0.819254   44.001086
H         9.861160   -1.200892   44.924793
C        10.580246    0.558630   43.883257
C        11.120925    1.038741   42.664981
C        11.428679    0.107326   41.653487
C        11.171324   -1.253477   41.797889
C        10.587281   -1.718768   42.978199
H        10.380840   -2.781179   43.112019
H        11.430916   -1.946252   40.996902
C         4.419544    5.338350   52.363335
H         4.633760    6.361953   52.672032
H        14.384044    4.304259   42.377250
H         5.389107    8.883936   40.921374
H         3.679269   -4.215760   39.699417
C         1.980366    7.818140   45.226681
C         1.671954    7.741633   46.601009
H         1.268499    6.814127   47.010852
H         1.088682   10.270839   42.939770
H         1.564653   10.788545   40.560010
C         3.303469    4.666920   52.861175
C         3.043979    3.363414   52.438899
H         2.473958   10.894821   47.589839
H         3.097693   11.037044   45.195568
H         3.727465   10.043227   39.545740
C         4.440856    9.161433   41.377894
C         5.060174    3.353203   51.084046
C         6.931927    1.059132   51.010195
H         7.137674    1.331492   52.053842
H         6.179051    0.266238   50.974160
H         7.854728    0.695526   50.539817
C         7.840623    3.639719   50.187534
H         8.684655    3.078433   49.766462
H         7.723011    4.546647   49.580841
H         8.062471    3.890846   51.233319
C         0.311920    1.473200   48.417727
H        -0.205045    2.224323   47.806916
H         0.346339    0.539484   47.847447
H        -0.238885    1.317117   49.354927
C         1.644186    3.748245   49.513505
H         1.076011    4.313819   48.763425
H         1.040185    3.638886   50.422515
H         2.566529    4.290116   49.743318
C         5.710683   -3.116131   45.768374
H         6.799287   -2.979244   45.736219
H         5.392350   -3.078563   46.815443
H         5.448672   -4.092590   45.340114
C         5.701391   -1.995920   43.139035
H         5.542659   -3.014842   42.766974
H         5.306073   -1.274196   42.417418
H         6.776996   -1.814862   43.267967
C         0.318008    0.464018   42.614222
H        -0.190818    0.058065   41.729794
H         0.182031   -0.213467   43.463035
H        -0.107770    1.443184   42.868205
C         2.071355    1.889197   40.860792
H         1.626735    2.814616   41.247183
H         3.085268    2.119303   40.514228
H         1.461203    1.517276   40.027265
C         7.077044    8.364701   42.704567
H         7.920591    8.031857   43.322617
H         7.081051    7.784285   41.775850
H         7.186602    9.434014   42.480015
C         5.875774    9.021342   45.204493
H         5.062566    8.901814   45.925410
H         6.799894    8.627022   45.648386
H         6.001975   10.083270   44.956135
C        -0.257785    6.051786   44.686251
H        -0.624878    5.191455   44.111932
H        -0.398375    5.845145   45.752289
H        -0.830296    6.948104   44.412372
C         1.476089    6.601892   42.483110
H         1.065095    5.693823   42.021546
H         0.829114    7.453969   42.243057
H         2.480861    6.778382   42.086791
C         8.420146    4.259393   40.120118
H         8.493670    5.327563   40.348109
H         9.106536    4.009654   39.300155
H         7.387250    4.046067   39.815928
C         8.455492    1.537631   40.980624
H         7.407852    1.519597   40.652413
H         9.110259    1.300436   40.132454
H         8.592798    0.796879   41.773337
C        11.101745    3.114796   45.443387
H        12.182025    2.940038   45.368100
H        10.772787    3.783402   44.642262
H        10.860944    3.596138   46.401430
C        10.677352    9.231973   50.320924
C         9.681188    8.336314   49.571572
C        10.412219    7.363690   48.607966
C        11.468818    6.530375   49.378055
C        12.454892    7.435771   50.129520
C        11.730061    8.406111   51.072819
H         9.098602    7.738847   50.293712
H         8.960380    8.942618   49.003253
H        11.181765    9.896630   49.598547
H        10.134368    9.887549   51.018348
H        10.943071    5.875122   50.093523
H        12.002841    5.874461   48.673873
H        13.171660    6.817812   50.690667
H        13.047325    8.011889   49.397841
H        11.237453    7.832930   51.877826
H        12.455065    9.071027   51.563240
H        10.958201    7.983656   47.870408
C         9.475315    6.524955   47.859432
C         8.679433    5.829724   47.229119
Au        7.472742    4.813390   46.043157

181
Au9T-I10
Au        3.000866    2.093294   44.269577
Au        5.665660    2.903634   45.026991
Au        3.574282    4.764019   45.090993
Au        5.882339    5.151459   43.350903
Au        6.506578    1.593959   47.374514
C         9.527689   -1.637218   43.389063
Au        7.744890    1.001453   44.901366
Au        3.614410    2.525543   46.933745
Au        5.015591    0.231946   45.388627
Au        8.206909    3.865833   44.458452
P         5.491377    6.305902   41.349103
P         7.548695    1.998378   49.428966
P         3.994026   -1.825832   44.894354
P         9.690528    0.110423   43.952817
P         2.571029    6.865388   44.903737
P         1.547344    1.286067   42.609550
P         3.043064    2.347303   49.196411
P        10.431640    4.565759   44.237925
C         5.536608    1.985134   51.475480
C         3.351024    8.165862   41.865723
H         4.950559   -2.607393   51.413086
C         4.629448   -1.653414   50.993941
C         5.266249   -0.474266   51.374722
C         4.866517    0.782855   50.881607
C         3.769826    0.841604   49.987216
C         3.150369   -0.362233   49.594918
H         2.315145   -0.333464   48.893695
C         3.561928   -1.594803   50.095997
H         3.035899   -2.505950   49.808012
H         9.321845   -2.255545   44.272674
H         8.698210   -1.751982   42.683801
H        10.458890   -1.974722   42.914955
C         2.196556    8.850475   41.449703
H         6.076888   -0.510518   52.104404
C         1.505877    8.493650   40.291739
C         1.967654    7.429015   39.518492
C         3.859064    7.127418   41.041563
H        13.591888    0.917194   42.828291
C         4.029610    8.660689   43.108953
C         5.391943    9.794085   45.306635
H        12.368998    3.238310   40.988200
H         5.925192   10.206456   46.162739
H        -0.868755   -1.785235   43.438225
H        -1.690094   -2.157361   45.745979
C         5.596083   10.306203   44.026449
C         4.922908    9.735189   42.946884
C         7.185357    3.769365   51.574163
H         8.030968    4.308332   51.152227
C         1.923492   -2.822834   40.422098
C         1.624033   -2.800245   41.783713
C         1.574829   -1.600263   42.514509
C         1.770416   -0.375651   41.824273
C         2.095621   -0.417625   40.453707
H         2.263264    0.504741   39.900932
C         2.181754   -1.624197   39.758876
H         2.421563   -1.619967   38.695154
H         4.187731    1.906394   53.150497
H         5.162270    3.872209   54.312011
C        11.893640    3.437200   44.383246
C        12.826507    3.688501   45.408465
H        12.646740    4.482149   46.131034
C        14.010855    2.957416   45.512743
H        14.716971    3.183075   46.312294
C        14.297158    1.967692   44.573446
C        13.373894    1.692411   43.564705
C        12.155055    2.384729   43.468024
H         1.418176   -3.735603   42.306920
C         1.215868   -1.724741   43.967095
C         2.148386   -1.875945   45.024728
C         1.660021   -2.071973   46.332942
H         2.362927   -2.181210   47.158455
C         0.296909   -2.162005   46.604543
H        -0.046114   -2.342675   47.623722
C        -0.620697   -2.056861   45.558566
C        -0.156281   -1.842575   44.262516
C         9.460347    0.721473   41.286384
H         8.639013    0.007012   41.351081
C        10.214358    1.029749   42.437149
C        11.247909    1.994077   42.338939
C        11.533154    2.542266   41.073820
C        10.802009    2.199283   39.937870
C         9.745754    1.293670   40.049470
H         9.161034    1.013016   39.172960
H        11.063758    2.629820   38.970839
C         6.645665    4.223720   52.777864
H         7.077097    5.096769   53.267901
H        15.234466    1.412744   44.621558
H         3.498681    5.964332   39.242812
H         1.949746   -3.770887   39.884182
C         3.762509    8.196554   44.423499
C         4.483755    8.755203   45.497471
H         4.348498    8.373379   46.507941
H         1.842291    9.685840   42.055511
H         0.615893    9.048703   39.994171
C         5.575136    3.544170   53.357507
C         5.029632    2.438889   52.704716
H         6.273006   11.145694   43.864750
H         5.071821   10.137574   41.943872
H         1.439513    7.132922   38.611712
C         3.137463    6.763500   39.887573
C         6.662478    2.638605   50.918189
C         8.477682    0.528353   50.034720
H         9.038861    0.784921   50.942926
H         7.782464   -0.290636   50.248649
H         9.171589    0.206745   49.247493
C         8.869752    3.227420   49.080725
H         9.439904    2.847443   48.223894
H         8.420157    4.189994   48.800695
H         9.546827    3.349734   49.936320
C         1.229780    2.177057   49.470904
H         0.747058    3.091710   49.103234
H         0.823144    1.326851   48.913705
H         1.014797    2.052735   50.540564
C         3.438567    3.881846   50.116290
H         2.842634    4.676159   49.647500
H         3.167082    3.796957   51.174923
H         4.497354    4.140396   50.018626
C         4.567682   -3.157553   46.031958
H         5.642636   -3.295168   45.857009
H         4.431635   -2.870121   47.079749
H         4.038554   -4.098455   45.829967
C         4.539446   -2.468726   43.262123
H         4.095663   -3.449671   43.053139
H         4.290083   -1.770408   42.457568
H         5.631384   -2.568029   43.320922
C        -0.211955    1.375645   43.143739
H        -0.873330    1.063405   42.324626
H        -0.380165    0.740251   44.018709
H        -0.427541    2.417339   43.414824
C         1.569348    2.480768   41.208514
H         1.322334    3.463904   41.627942
H         2.569344    2.541205   40.764396
H         0.829668    2.218664   40.440417
C         5.725105    5.142143   39.941200
H         6.718037    4.691370   40.063551
H         4.980159    4.338759   39.972330
H         5.682898    5.658698   38.973287
C         6.764202    7.587997   40.990090
H         6.797739    8.323021   41.800705
H         7.738350    7.086709   40.919830
H         6.540020    8.090230   40.039624
C         1.856750    7.442345   46.499231
H         1.018442    6.776964   46.743677
H         2.595376    7.378926   47.304956
H         1.492802    8.474340   46.408911
C         1.099661    6.883450   43.804049
H         0.367818    6.198433   44.252584
H         0.663708    7.888565   43.741344
H         1.352807    6.530078   42.800259
C        10.683252    5.858857   45.521170
H        10.599078    5.432142   46.527076
H        11.649788    6.366101   45.402343
H         9.870415    6.586456   45.403155
C        10.704397    5.511087   42.680869
H         9.986449    6.341273   42.665134
H        11.727551    5.909369   42.652423
H        10.532709    4.868344   41.811468
C        11.057096   -0.022139   45.171167
H        11.956965   -0.451964   44.714874
H        11.295576    0.952838   45.606530
H        10.698231   -0.690828   45.965379
C         6.461963    9.360821   51.825066
C         6.152510    8.307495   50.751800
C         7.212217    8.324440   49.620502
C         8.635935    8.146443   50.208859
C         8.934185    9.201008   51.283332
C         7.877058    9.194797   52.395982
H         6.142299    7.300536   51.203480
H         5.153501    8.473038   50.322116
H         6.362906   10.367368   51.384053
H         5.713926    9.302136   52.629780
H         8.707377    7.135527   50.646620
H         9.376282    8.196321   49.396848
H         9.935587    9.029784   51.704589
H         8.962667   10.198616   50.812699
H         7.937640    8.241893   52.950755
H         8.088258    9.990326   53.124610
H         7.178526    9.329873   49.157492
C         6.924754    7.350521   48.566041
C         6.705935    6.549983   47.658432
Au        6.428935    5.368429   46.102379

181
Au9T-I11
Au        3.452351    2.730751   44.997724
Au        6.228557    2.904861   45.502177
Au        4.500166    4.999648   46.244142
Au        6.470748    5.200283   44.068155
Au        6.964421    1.074113   47.600073
C         9.231758   -2.024113   43.272324
Au        7.957416    0.834873   44.935555
Au        4.406684    2.503653   47.631929
Au        5.139792    0.300013   45.640557
Au        8.707480    3.567959   44.529848
P         6.250073    7.171130   42.818531
P         8.168149    0.714997   49.572932
P         4.115098   -1.751551   45.081692
P         9.673624   -0.341698   43.885560
P         2.037414    8.882916   43.846777
P         1.802336    1.825915   43.621717
P         3.846826    2.134398   49.871671
P        10.985294    4.030779   44.185033
C         6.399171    1.021527   51.827028
C         3.958796    8.145698   41.232047
H         4.719611   -3.285044   51.611328
C         4.596818   -2.255563   51.273766
C         5.525075   -1.284766   51.644010
C         5.395133    0.062736   51.254642
C         4.263135    0.439484   50.488655
C         3.347018   -0.560487   50.101372
H         2.478075   -0.292997   49.499734
C         3.501629   -1.889117   50.489790
H         2.752485   -2.629827   50.207072
H         9.004782   -2.647585   44.147084
H         8.346764   -1.993123   42.628893
H        10.071111   -2.464767   42.717864
C         3.078259    7.908751   40.158476
H         6.366658   -1.560350   52.281213
C         3.019534    6.677238   39.509824
C         3.841798    5.634640   39.941767
C         4.821816    7.100885   41.640077
H        13.606801   -0.017323   42.744976
C         3.966944    9.540391   41.786394
C         4.034108   12.247609   42.575936
H        12.673048    2.496366   40.934381
H         4.049627   13.291838   42.889401
H        -0.172906   -1.667282   42.436681
H        -1.450315   -2.926242   44.152693
C         4.819223   11.817315   41.507388
C         4.775222   10.477373   41.120654
C         8.457510    2.317854   51.855862
H         9.384312    2.643553   51.388011
C         3.344240   -0.995163   40.245105
C         2.749847   -1.581387   41.360378
C         2.308890   -0.819114   42.459863
C         2.423141    0.591302   42.391570
C         3.065909    1.165222   41.274956
H         3.199646    2.246388   41.226931
C         3.523647    0.389160   40.213721
H         3.997315    0.865642   39.354599
H         5.228492    1.156660   53.626246
H         6.765179    2.725198   54.781348
C        12.291610    2.718684   44.307173
C        13.266584    2.842604   45.316717
H        13.209334    3.657031   46.036582
C        14.341676    1.957735   45.409285
H        15.085338    2.090774   46.195437
C        14.476277    0.933862   44.472586
C        13.506764    0.781858   43.481347
C        12.391949    1.633192   43.397670
H         2.608228   -2.662726   41.391222
C         1.648179   -1.571334   43.576891
C         2.301530   -1.987169   44.766488
C         1.551054   -2.675570   45.740616
H         2.021996   -2.995246   46.668058
C         0.208188   -2.996634   45.538957
H        -0.339911   -3.542187   46.307766
C        -0.412128   -2.650066   44.339473
C         0.308319   -1.945157   43.375783
C         9.486868    0.343847   41.229404
H         8.586056   -0.266800   41.291568
C        10.287675    0.532994   42.374277
C        11.428034    1.369458   42.278010
C        11.760542    1.904415   41.019017
C        10.976920    1.679636   39.888668
C         9.820737    0.906151   40.000077
H         9.190602    0.722128   39.129450
H        11.273440    2.099263   38.926973
C         8.155185    2.807629   53.126764
H         8.838496    3.502787   53.615083
H        15.331719    0.258540   44.508737
H         5.370522    5.033346   41.333684
H         3.661960   -1.615436   39.406434
C         3.143069    9.985068   42.852192
C         3.205107   11.339147   43.234214
H         2.590234   11.706390   44.053916
H         2.439411    8.727077   39.822994
H         2.339264    6.536939   38.669315
C         6.997545    2.378226   53.774091
C         6.135954    1.495126   53.123756
H         5.454000   12.521493   40.969005
H         5.369604   10.140589   40.269708
H         3.811512    4.665501   39.442448
C         4.723661    5.848410   40.998438
C         7.609093    1.407469   51.195166
C         8.498702   -1.070444   49.882081
H         9.121069   -1.191130   50.778764
H         7.556945   -1.613904   50.009204
H         9.027607   -1.474299   49.009398
C         9.866956    1.379408   49.327221
H        10.261230    0.909551   48.417658
H         9.837829    2.462958   49.164836
H        10.525324    1.138947   50.172467
C         2.037948    2.302755   50.181063
H         1.763258    3.341118   49.954078
H         1.457554    1.646919   49.523875
H         1.801181    2.078214   51.229655
C         4.536434    3.426159   50.975857
H         4.129607    4.380499   50.615346
H         4.232309    3.266158   52.017162
H         5.627999    3.461315   50.908612
C         4.490181   -2.890979   46.480604
H         5.582799   -2.915441   46.581058
H         4.077112   -2.509888   47.421771
H         4.120844   -3.906506   46.285870
C         4.974291   -2.602439   43.691124
H         4.547106   -3.600678   43.528522
H         4.898920   -2.012768   42.772786
H         6.031528   -2.695977   43.970559
C         0.410576    1.139406   44.601662
H        -0.382335    0.751153   43.951089
H         0.754887    0.349693   45.276315
H         0.016932    1.971103   45.201379
C         0.940003    3.083742   42.585998
H         0.429797    3.775714   43.268385
H         1.654189    3.656859   41.985614
H         0.203395    2.602704   41.928883
C         7.675912    7.469749   41.686650
H         8.590673    7.545409   42.288706
H         7.775376    6.632132   40.986579
H         7.534049    8.402334   41.124306
C         6.240622    8.679484   43.859894
H         5.358546    8.672822   44.514986
H         7.137446    8.625880   44.491933
H         6.262834    9.597304   43.262169
C         0.834972   10.005544   44.667723
H         0.080528    9.371645   45.151441
H         1.318754   10.604952   45.446396
H         0.343660   10.661577   43.937269
C         0.950021    7.928812   42.713202
H         0.182846    7.447613   43.334188
H         0.465739    8.598287   41.990437
H         1.519412    7.160271   42.183744
C        11.479604    5.304557   45.421135
H        11.363830    4.923718   46.442342
H        12.508448    5.653452   45.262089
H        10.790368    6.149593   45.297775
C        11.329831    4.906054   42.599539
H        10.742557    5.832996   42.595226
H        12.397965    5.147151   42.518954
H        11.022559    4.289021   41.749503
C        11.056843   -0.729804   45.029777
H        11.861604   -1.268046   44.514167
H        11.457788    0.179771   45.487304
H        10.636217   -1.372599   45.814728
C         4.304742   10.535522   50.470761
C         3.963392    9.661673   49.257415
C         4.760928    8.321613   49.294783
C         4.503246    7.576253   50.632642
C         4.843032    8.468738   51.833766
C         4.070932    9.794085   51.793936
H         2.887148    9.423016   49.250802
H         4.186399   10.190192   48.319118
H         5.359693   10.852490   50.405944
H         3.701420   11.454231   50.434847
H         3.440595    7.283843   50.667558
H         5.101119    6.653166   50.654403
H         4.625469    7.926019   52.766118
H         5.927441    8.675005   51.838157
H         2.992936    9.592869   51.915864
H         4.366915   10.429457   52.640110
H         5.837050    8.575837   49.247111
C         4.439271    7.511381   48.132360
C         4.137640    6.858729   47.115031
Au        3.141343    7.651752   45.460586

181
Au9T-I12
Au        3.632068    1.917540   45.584844
Au        6.414479    2.190802   45.185930
Au        4.957202    4.277641   46.540939
Au        7.378284    4.822219   44.816557
Au        7.781956    3.533275   47.251348
C         8.337403   -1.388763   40.630094
Au        7.770609    0.674046   43.352825
Au        5.410371    1.833092   47.816232
Au        5.128453    0.104303   43.990250
Au        9.183795    2.652331   44.869334
P         7.146370    6.821311   43.626306
P         8.547793    3.668405   49.462287
P         3.485645   -1.423376   43.334822
P         9.249142   -0.519258   41.977880
P         3.307942    9.587799   44.370920
P         1.301320    2.027539   45.347733
P         5.456618    0.310885   49.583736
P        11.463705    2.514066   44.309431
C         6.711149    2.652432   51.510725
C         4.951131    7.972362   42.056821
H         9.708848   -0.323962   53.410450
C         8.939935   -0.181209   52.650788
C         8.315823    1.058518   52.513908
C         7.319435    1.281800   51.549106
C         6.897801    0.196464   50.740021
C         7.553423   -1.042922   50.874352
H         7.261195   -1.889103   50.255680
C         8.569980   -1.231639   51.811450
H         9.050448   -2.206688   51.898476
H         7.671006   -2.115684   41.111805
H         7.719495   -0.691827   40.054027
H         9.030454   -1.913236   39.959539
C         3.914318    7.773491   41.127891
H         8.601801    1.884372   53.167517
C         3.519235    6.496608   40.726559
C         4.155889    5.379081   41.265558
C         5.622558    6.835192   42.575131
H        13.342584   -1.549490   41.941468
C         5.341322    9.390492   42.347365
C         6.145559   12.071033   42.697744
H        13.868190    1.332972   41.041016
H         6.450336   13.107316   42.844897
H        -0.692088   -1.296604   46.224155
H         0.222611   -2.953842   47.822141
C         6.750511   11.287070   41.716960
C         6.344608    9.962025   41.548231
C         6.550126    4.978443   50.819616
H         6.873450    5.805818   50.187819
C        -1.223537   -0.219356   42.119833
C        -0.496852   -0.955202   43.055380
C         0.333505   -0.334785   44.004634
C         0.380070    1.082911   44.047243
C        -0.344839    1.810090   43.082670
H        -0.317159    2.898037   43.083329
C        -1.130688    1.171670   42.122766
H        -1.686817    1.764900   41.396559
H         5.359710    2.095138   53.089426
H         4.304655    4.329071   53.293310
C        12.249480    0.849382   44.106683
C        12.743415    0.267076   45.292643
H        12.599310    0.771240   46.247799
C        13.444793   -0.936727   45.281683
H        13.825904   -1.351229   46.215591
C        13.685152   -1.583009   44.068141
C        13.171084   -1.041372   42.891904
C        12.417895    0.147368   42.885479
H        -0.566520   -2.044290   43.059092
C         1.046718   -1.250275   44.957046
C         2.327057   -1.812777   44.724793
C         2.839588   -2.738189   45.657261
H         3.830259   -3.167185   45.504568
C         2.102923   -3.147383   46.766352
H         2.515738   -3.892410   47.447347
C         0.826675   -2.622774   46.976812
C         0.316280   -1.686699   46.079234
C        10.235640    0.897571   39.811212
H         9.221672    0.766858   39.434909
C        10.587274    0.395861   41.081747
C        11.908228    0.609318   41.553488
C        12.839971    1.219736   40.694058
C        12.483103    1.682309   39.428738
C        11.164454    1.539521   38.994366
H        10.862715    1.901022   38.010685
H        13.230598    2.148954   38.786567
C         5.520170    5.202781   51.729100
H         5.072254    6.193495   51.807689
H        14.265957   -2.505098   44.036944
H         5.690749    4.676289   42.602057
H        -1.859251   -0.730763   41.396697
C         4.697644   10.201362   43.316996
C         5.125313   11.531952   43.482584
H         4.657309   12.172520   44.227327
H         3.433161    8.649788   40.690694
H         2.723317    6.381110   39.989993
C         5.088187    4.163048   52.553408
C         5.679587    2.907112   52.434421
H         7.527956   11.706115   41.077431
H         6.794662    9.354116   40.762129
H         3.858028    4.373158   40.967532
C         5.193354    5.553126   42.180405
C         7.183544    3.723414   50.711415
C         9.775674    2.368855   49.882258
H        10.141548    2.480416   50.909961
H         9.354491    1.368645   49.743431
H        10.610682    2.500436   49.181277
C         9.507945    5.209089   49.783295
H        10.418277    5.167255   49.171478
H         8.940477    6.097547   49.488791
H         9.780092    5.280915   50.844371
C         5.282568   -1.373769   48.864964
H         4.391870   -1.355747   48.224413
H         6.149141   -1.613380   48.237605
H         5.153403   -2.137600   49.642829
C         3.970498    0.428858   50.665240
H         3.082936    0.272586   50.038676
H         4.009320   -0.337107   51.451558
H         3.914302    1.423626   51.118964
C         4.109484   -3.072381   42.793819
H         4.678524   -2.921193   41.867031
H         4.780140   -3.510986   43.539836
H         3.274956   -3.759433   42.600334
C         2.575914   -0.866328   41.840136
H         1.805412   -1.589282   41.546276
H         2.119575    0.115479   41.999200
H         3.322395   -0.782817   41.038661
C         0.404563    1.690912   46.922025
H        -0.672139    1.864167   46.793022
H         0.575898    0.657999   47.241548
H         0.801544    2.371397   47.686406
C         0.885786    3.794889   45.046286
H         1.363135    4.371497   45.849446
H         1.313382    4.132730   44.094654
H        -0.198407    3.969131   45.059440
C         8.530742    7.108267   42.446088
H         9.475586    7.078681   43.003965
H         8.535059    6.313341   41.690742
H         8.429995    8.085018   41.956408
C         7.218432    8.274330   44.744922
H         6.343064    8.263678   45.408988
H         8.123753    8.163748   45.356608
H         7.261326    9.220196   44.193953
C         2.846572   11.001941   45.450733
H         1.982752   10.683908   46.048042
H         3.664637   11.257190   46.134459
H         2.559997   11.881219   44.859297
C         1.832177    9.439276   43.281479
H         0.950513    9.304985   43.922138
H         1.714099   10.351023   42.681101
H         1.930497    8.569954   42.623994
C        12.531480    3.343104   45.565931
H        12.377120    2.912083   46.559972
H        13.591718    3.265128   45.291287
H        12.234685    4.399079   45.602043
C        11.813413    3.528155   42.816438
H        11.537542    4.560672   43.069356
H        12.877710    3.490343   42.552207
H        11.208964    3.199178   41.966120
C         9.989314   -1.936210   42.886429
H        10.653163   -2.518845   42.235040
H        10.539394   -1.596091   43.768460
H         9.153796   -2.568170   43.216240
C         2.132914    9.111722   50.558324
C         2.993334    8.543639   49.421486
C         2.375394    7.246528   48.840699
C         0.910539    7.485156   48.394645
C         0.064966    8.062118   49.537867
C         0.682050    9.342074   50.115694
H         3.072973    9.281164   48.604869
H         4.017868    8.341981   49.765680
H         2.146742    8.410622   51.410546
H         2.578326   10.048791   50.922312
H         0.922421    8.186769   47.543106
H         0.478515    6.543810   48.025206
H        -0.955565    8.256261   49.177487
H        -0.027716    7.307060   50.337298
H         0.654278   10.139408   49.352785
H         0.080736    9.703270   50.961524
H         2.359871    6.489459   49.649722
C         3.198932    6.646299   47.787358
C         3.913144    5.978113   46.996840
Au        3.635530    7.729274   45.719959

181
Au9T-I13
Au        3.118642    1.251786   44.128539
Au        5.440380    2.793690   44.747601
Au        3.036884    4.133895   44.520866
Au        5.424307    5.083585   43.279248
Au        6.775137    2.102119   47.138857
C         9.434571   -1.129208   42.772150
Au        7.854955    1.295981   44.679633
Au        3.564425    2.172488   46.723360
Au        5.367089    0.159821   45.611089
Au        7.795422    4.127360   44.565686
P         5.304403    6.751305   41.648520
P         7.217938    1.880918   49.407180
P         4.263803   -2.974574   44.444648
P         9.790034    0.392229   43.743181
P         1.522453    5.885182   44.173216
P         1.731110    0.501132   42.362601
P         2.977623    2.869462   48.874786
P         9.916551    5.081885   44.704780
C         5.378278    3.136820   51.296859
C         2.690643    7.984191   41.762045
H         3.747148   -0.692310   53.311696
C         3.664929   -0.023358   52.454695
C         4.486009    1.097724   52.364670
C         4.414893    1.989214   51.276905
C         3.426403    1.765034   50.287019
C         2.632395    0.602076   50.370521
H         1.897024    0.394267   49.592020
C         2.748180   -0.287496   51.435044
H         2.111178   -1.170978   51.479763
H         9.051348   -1.868060   43.488435
H         8.661514   -0.949330   42.017727
H        10.343498   -1.519955   42.295066
C         1.541543    8.475054   41.119226
H         5.218647    1.295380   53.148403
C         1.294354    8.238010   39.767310
C         2.210999    7.495476   39.024468
C         3.658006    7.288815   40.988885
H        13.480567    1.537585   44.197906
C         2.841964    8.325258   43.216411
C         3.115758    9.241326   45.876312
H        12.751094    4.219976   42.260891
H         3.217291    9.582355   46.906814
H        -0.671675   -1.879418   44.036049
H        -0.973050   -1.825884   46.495683
C         3.538323   10.046350   44.818209
C         3.401102    9.583150   43.510759
C         7.401578    4.331398   50.664665
H         8.320630    4.399764   50.083004
C         1.339679   -3.833142   40.675711
C         1.330102   -3.626599   42.056277
C         1.501187   -2.347244   42.610808
C         1.640421   -1.238737   41.739309
C         1.662943   -1.463831   40.350192
H         1.782091   -0.631870   39.658156
C         1.520938   -2.747157   39.819558
H         1.534826   -2.890443   38.738694
H         4.191793    4.121657   52.798102
H         5.680941    6.092738   53.012827
C        11.327295    3.985648   45.200036
C        11.882903    4.203619   46.477057
H        11.471169    4.972818   47.127221
C        12.983530    3.480108   46.935343
H        13.398673    3.691932   47.921098
C        13.566329    2.519011   46.111389
C        13.016380    2.275297   44.853714
C        11.885231    2.965803   44.381715
H         1.168136   -4.470434   42.728882
C         1.449836   -2.231965   44.103845
C         2.562996   -2.455448   44.952217
C         2.377061   -2.410573   46.346653
H         3.236092   -2.570866   47.001881
C         1.120723   -2.183508   46.907443
H         1.001125   -2.188080   47.991065
C         0.020997   -1.979772   46.074493
C         0.193560   -1.999582   44.689991
C        10.476944    1.291373   41.208817
H         9.863561    0.452776   40.885234
C        10.675104    1.532609   42.583149
C        11.473360    2.643556   42.970895
C        12.081152    3.412607   41.962130
C        11.886029    3.149832   40.606260
C        11.068855    2.086222   40.228176
H        10.910229    1.854544   39.174588
H        12.387465    3.760302   39.854638
C         7.082201    5.377418   51.527244
H         7.744627    6.239940   51.605247
H        14.450443    1.970093   46.436232
H         4.097869    6.495773   39.015457
H         1.197804   -4.836630   40.273218
C         2.355130    7.535883   44.289533
C         2.532446    8.005572   45.607135
H         2.191315    7.402343   46.448320
H         0.828650    9.058520   41.704313
H         0.393418    8.635517   39.298742
C         5.929202    5.296936   52.309998
C         5.095074    4.187396   52.189394
H         3.962139   11.033189   45.006388
H         3.713921   10.216053   42.679063
H         2.034795    7.294141   37.967422
C         3.381648    7.037545   39.629971
C         6.582662    3.189142   50.549565
C         6.685492    0.220186   49.964764
H         6.956016    0.061190   51.016349
H         5.607592    0.089565   49.833327
H         7.198436   -0.511465   49.321737
C         9.030522    1.830501   49.724167
H         9.421797    0.954188   49.191789
H         9.534265    2.721562   49.336424
H         9.228485    1.728804   50.799544
C         1.156089    3.075111   49.068829
H         0.815587    3.801739   48.319917
H         0.632962    2.129424   48.892173
H         0.920238    3.439977   50.077273
C         3.586202    4.575717   49.173296
H         3.157123    5.199234   48.378267
H         3.261139    4.948112   50.152480
H         4.677189    4.621707   49.101213
C         4.152171   -4.801163   44.242794
H         5.145892   -5.191914   43.986181
H         3.828135   -5.254308   45.187403
H         3.441655   -5.057811   43.446865
C         4.696665   -2.370918   42.765123
H         4.050797   -2.798420   41.991279
H         4.643314   -1.275229   42.747378
H         5.735803   -2.676188   42.583256
C        -0.023893    0.964246   42.690473
H        -0.654920    0.693682   41.833740
H        -0.382440    0.452657   43.589932
H        -0.069341    2.047748   42.860374
C         2.138604    1.521190   40.882549
H         2.205505    2.563712   41.217965
H         3.114378    1.228533   40.475004
H         1.369276    1.443384   40.103270
C         6.246197    6.166858   40.178692
H         7.264122    5.945028   40.522916
H         5.815659    5.240965   39.779879
H         6.290321    6.932816   39.392822
C         6.207824    8.295724   42.086506
H         5.804988    8.726931   43.008306
H         7.260951    8.031447   42.246544
H         6.133612    9.025481   41.269303
C         0.120567    6.005277   45.365813
H        -0.481822    5.092992   45.266250
H         0.476637    6.071368   46.398764
H        -0.501269    6.882080   45.140378
C         0.619611    5.723611   42.581571
H         0.023133    4.804351   42.654018
H        -0.052520    6.574442   42.416895
H         1.312949    5.635370   41.739570
C         9.877186    6.423593   45.965069
H         9.543182    6.041511   46.936063
H        10.853333    6.916117   46.066954
H         9.137228    7.157781   45.620446
C        10.441613    6.012201   43.205597
H         9.724244    6.830583   43.061282
H        11.446174    6.432299   43.346849
H        10.430737    5.364598   42.324169
C        10.940116   -0.245546   45.023119
H        11.835028   -0.682018   44.560107
H        11.230957    0.549236   45.715268
H        10.392932   -1.020157   45.578308
C        10.407030   -4.930364   50.411855
C         9.305771   -4.521663   49.425193
C         9.435459   -3.026633   49.020360
C        10.851550   -2.740071   48.459978
C        11.943865   -3.160211   49.453387
C        11.806582   -4.634701   49.857087
H         9.372089   -5.132083   48.510125
H         8.309220   -4.697965   49.853579
H        10.267573   -4.386712   51.362638
H        10.307233   -5.999269   50.649798
H        10.968698   -3.298828   47.516531
H        10.941687   -1.670362   48.212940
H        12.935302   -2.973657   49.014703
H        11.877959   -2.528390   50.356101
H        11.993517   -5.272593   48.976795
H        12.573118   -4.895691   50.600575
H         9.315630   -2.428496   49.944970
C         8.374846   -2.647080   48.087513
C         7.462847   -2.424178   47.291444
Au        5.949618   -2.504256   46.003858

181
Au9T-I14
Au        4.134628    0.978876   44.638434
Au        6.005865    3.062352   45.231261
Au        3.216419    3.597765   44.993359
Au        5.295233    4.879273   43.342190
Au        7.244974    2.854767   47.798321
C        10.833486   -0.020877   44.006059
Au        8.693063    2.223160   45.445820
Au        4.182381    2.050949   47.190550
Au        6.655840    0.535396   46.434604
Au        7.901342    4.817916   44.417157
P         4.618958    6.184750   41.502589
P         7.941407    4.136533   49.631490
P         2.215634   -2.038590   46.143446
P        10.780301    1.745219   44.529620
P         1.481306    5.074408   44.492040
P         4.302234   -0.320351   42.666170
P         3.853750    2.359965   49.504502
P         9.737802    6.246504   44.206928
C         6.052771    3.719576   51.741818
C         1.896860    7.085010   41.784677
H         7.672713   -0.520047   52.679118
C         6.993156    0.068581   52.061689
C         6.929334    1.451581   52.221988
C         6.056205    2.249197   51.457653
C         5.197765    1.611865   50.530611
C         5.303133    0.217713   50.352387
H         4.683805   -0.276436   49.600707
C         6.184622   -0.551268   51.107107
H         6.233310   -1.629473   50.955070
H        10.729265   -0.621457   44.918729
H         9.996464   -0.266221   43.344406
H        11.785937   -0.262242   43.515390
C         0.627284    7.349818   41.244830
H         7.558369    1.939712   52.967981
C         0.268625    6.919681   39.966949
C         1.190952    6.210603   39.198490
C         2.856350    6.418899   40.979060
H        14.184133    3.872147   44.285114
C         2.170911    7.599233   43.166134
C         2.662417    8.790029   45.680993
H        12.820724    5.501780   41.829117
H         2.853512    9.237595   46.656659
H         0.787244   -1.699814   41.352321
H        -1.252648   -0.383796   41.865810
C         2.743214    9.560350   44.519535
C         2.506207    8.962159   43.283415
C         6.728879    6.021433   51.339569
H         7.287036    6.766298   50.774865
C         3.411438   -4.893053   42.430578
C         2.407742   -4.014012   42.840506
C         2.647537   -2.636846   42.982748
C         3.929249   -2.129582   42.651349
C         4.935450   -3.030349   42.257179
H         5.931633   -2.667398   42.012190
C         4.685029   -4.399040   42.153556
H         5.481742   -5.072042   41.835241
H         4.772197    3.435290   53.447809
H         4.679973    5.842226   54.054331
C        11.399289    5.753609   44.868510
C        11.873378    6.435328   46.007349
H        11.255473    7.190216   46.489338
C        13.146665    6.200954   46.526476
H        13.487168    6.760176   47.398223
C        13.988140    5.283494   45.899283
C        13.526409    4.584280   44.784832
C        12.231184    4.770568   44.270355
H         1.405829   -4.394529   43.044669
C         1.486214   -1.777080   43.386208
C         1.190340   -1.435381   44.730007
C         0.038166   -0.677002   45.003795
H        -0.207700   -0.401240   46.027713
C        -0.830950   -0.284390   43.984935
H        -1.730283    0.281655   44.230093
C        -0.563135   -0.652165   42.667087
C         0.585968   -1.389970   42.379003
C        11.071916    2.066251   41.785247
H        10.605060    1.083617   41.749867
C        11.295707    2.695925   43.026374
C        11.886107    3.987165   43.035716
C        12.306222    4.540004   41.812144
C        12.100981    3.891034   40.595561
C        11.460887    2.652589   40.582337
H        11.288936    2.127134   39.642535
H        12.450637    4.345440   39.667910
C         5.958489    6.452277   52.420936
H         5.923889    7.512934   52.671722
H        15.000767    5.117134   46.267328
H         3.183930    5.452617   39.061996
H         3.194189   -5.956205   42.322983
C         2.022643    6.837599   44.350878
C         2.307789    7.447024   45.589700
H         2.239369    6.862621   46.507906
H        -0.091399    7.903945   41.851090
H        -0.724595    7.140758   39.575175
C         5.261650    5.520609   53.189981
C         5.314948    4.168404   52.848652
H         2.985067   10.622237   44.574448
H         2.564352    9.560807   42.373290
H         0.928656    5.862521   38.198955
C         2.472116    5.974260   39.698919
C         6.803585    4.659486   50.992331
C         9.366688    3.345361   50.488199
H         9.728225    3.992319   51.298479
H         9.063449    2.375516   50.896712
H        10.166458    3.185021   49.754042
C         8.679471    5.696953   48.992894
H         9.406955    5.410691   48.222632
H         7.906547    6.318702   48.525615
H         9.193590    6.260339   49.782801
C         2.330313    1.600204   50.214843
H         1.457262    1.976731   49.666364
H         2.369669    0.509742   50.120189
H         2.236949    1.863037   51.277007
C         3.590133    4.139537   49.869876
H         2.707968    4.437414   49.287699
H         3.402333    4.318644   50.934557
H         4.446407    4.735223   49.539110
C         1.410027   -1.372917   47.656058
H         1.955260   -1.784991   48.514730
H         1.492735   -0.279843   47.676696
H         0.358575   -1.679948   47.728048
C         1.876253   -3.841660   46.282561
H         0.793353   -4.024280   46.281454
H         2.344723   -4.379667   45.451899
H         2.310392   -4.199850   47.225330
C         3.384226    0.388472   41.233453
H         3.585196   -0.191822   40.322793
H         2.309323    0.391947   41.441217
H         3.722315    1.423957   41.099144
C         6.051361   -0.183289   42.109413
H         6.283557    0.887769   42.052546
H         6.715367   -0.637750   42.854140
H         6.206093   -0.643921   41.124762
C         5.466199    5.505530   40.014237
H         6.534813    5.445710   40.256327
H         5.113248    4.491940   39.791669
H         5.330829    6.151522   39.136568
C         5.315332    7.891243   41.578471
H         4.942089    8.414312   42.464678
H         6.407092    7.804716   41.649301
H         5.048429    8.454123   40.674216
C         0.152877    5.134181   45.769829
H        -0.277710    4.128372   45.856843
H         0.556579    5.423225   46.745361
H        -0.629808    5.846394   45.475940
C         0.540123    4.536712   43.010522
H         0.157565    3.533266   43.240060
H        -0.299942    5.210552   42.803653
H         1.188270    4.474992   42.131102
C         9.334052    7.820701   45.078427
H         9.117232    7.644541   46.137867
H        10.140498    8.558674   44.976343
H         8.422491    8.214864   44.611076
C        10.016471    6.858601   42.491577
H         9.113460    7.403751   42.188524
H        10.878024    7.538877   42.461129
H        10.178613    6.024438   41.803094
C        12.140149    1.790734   45.766826
H        13.100258    1.534599   45.300402
H        12.210247    2.773327   46.241148
H        11.895520    1.041679   46.531718
C         8.760096   -6.050955   46.734641
C         7.843381   -4.879213   46.361176
C         8.192523   -3.613450   47.194629
C         9.692981   -3.242089   47.015966
C        10.592338   -4.428852   47.387823
C        10.242512   -5.686581   46.581672
H         7.957127   -4.632179   45.293231
H         6.788078   -5.141776   46.521530
H         8.561181   -6.351259   47.777313
H         8.511600   -6.920704   46.109215
H         9.853475   -2.960444   45.961835
H         9.928502   -2.363632   47.634016
H        11.646010   -4.154121   47.233093
H        10.483080   -4.640394   48.464963
H        10.469128   -5.513433   45.515463
H        10.873203   -6.527403   46.901572
H         8.038259   -3.857664   48.262538
C         7.318020   -2.501982   46.860650
C         6.554910   -1.563562   46.566976
Au        4.487983   -1.582442   46.221673

181
Au9T-I15
Au        2.992041    1.604402   45.243135
Au        5.377051    3.100747   45.563089
Au        2.888442    4.411366   45.381031
Au        5.047950    4.870887   43.505792
Au        6.459710    2.759696   48.201091
C         9.897187   -0.911877   45.365751
Au        7.841711    1.814674   45.910626
Au        3.539422    2.799415   47.688319
Au        5.443360    0.560057   46.862507
Au        7.602931    4.285792   44.504010
P         4.570389    6.120657   41.576247
P         7.382525    3.945264   49.984774
P         4.182635   -3.944704   43.775819
P         9.923651    0.930257   45.358828
P         1.490523    6.221976   44.900755
P         1.785828   -0.022608   44.064181
P         2.917488    3.144034   49.920175
P         9.652987    5.320625   44.028355
C         5.362032    4.287013   52.001577
C         2.234084    7.763713   41.969857
H         5.889719    0.031011   53.738894
C         5.373067    0.640717   52.996730
C         5.669428    1.997174   52.879613
C         5.008528    2.829792   51.956149
C         3.985628    2.268001   51.151918
C         3.725762    0.886186   51.255005
H         2.968497    0.427688   50.619102
C         4.400280    0.080150   52.168388
H         4.147722   -0.977429   52.249396
H         9.725780   -1.225814   46.403426
H         9.068294   -1.294210   44.762031
H        10.848742   -1.324666   45.005393
C         1.035623    8.327620   41.501449
H         6.416485    2.444901   53.536300
C         0.447593    7.915901   40.305531
C         1.061239    6.918727   39.548614
C         2.891630    6.794534   41.168326
H        13.662223    2.294954   44.457494
C         2.765801    8.297630   43.267104
C         3.747131    9.548056   45.602838
H        12.376261    3.513379   41.756434
H         4.119992   10.020736   46.511892
H        -0.015065   -2.448167   41.412667
H        -1.344843   -4.389790   42.205065
C         3.989478   10.121740   44.353988
C         3.504298    9.495068   43.207728
C         6.583192    6.280071   51.326001
H         7.319709    6.778874   50.699538
C         3.760340   -0.947180   39.960908
C         3.056988   -1.978878   40.580902
C         2.519011   -1.838541   41.873146
C         2.657878   -0.593363   42.533292
C         3.406952    0.425573   41.911198
H         3.552910    1.371599   42.438910
C         3.957246    0.255073   40.642098
H         4.531787    1.060729   40.184266
H         4.010938    4.575432   53.650160
H         4.487190    6.997720   53.911505
C        11.254276    4.697796   44.732759
C        11.912897    5.510521   45.677345
H        11.455603    6.439078   46.013555
C        13.171136    5.179160   46.180977
H        13.657372    5.839477   46.899688
C        13.812991    4.026771   45.729788
C        13.164733    3.197943   44.814807
C        11.876788    3.486672   44.329908
H         2.915892   -2.927229   40.060167
C         1.791263   -3.022743   42.431760
C         2.415047   -4.017710   43.227746
C         1.644816   -5.111033   43.667995
H         2.094329   -5.885611   44.286893
C         0.300006   -5.244409   43.318511
H        -0.266319   -6.108039   43.667764
C        -0.302025   -4.284773   42.506035
C         0.445458   -3.190438   42.066979
C        10.101855    0.525070   42.629287
H         9.475123   -0.336145   42.857243
C        10.519732    1.383616   43.666541
C        11.309838    2.514733   43.334483
C        11.714268    2.680312   41.996899
C        11.314496    1.805827   40.987818
C        10.486866    0.729081   41.306339
H        10.161619    0.032730   40.532741
H        11.657883    1.959273   39.964675
C         5.912396    7.039208   52.285841
H         6.129208    8.103420   52.383203
H        14.813293    3.774410   46.082807
H         2.747218    5.622913   39.345578
H         4.158977   -1.088265   38.955900
C         2.472458    7.748491   44.539705
C         2.999924    8.376217   45.686406
H         2.815855    7.947474   46.671820
H         0.559216    9.106325   42.099433
H        -0.482339    8.374405   39.968103
C         4.994166    6.423358   53.135346
C         4.728624    5.061955   52.987924
H         4.544045   11.057044   44.271669
H         3.676701    9.948187   42.230405
H         0.614401    6.578759   38.613925
C         2.273469    6.374003   39.974664
C         6.341528    4.900017   51.179539
C         8.487313    2.901679   51.023667
H         8.966593    3.512366   51.800218
H         7.913513    2.093231   51.488273
H         9.253346    2.462675   50.371995
C         8.560796    5.173457   49.283874
H         9.244875    4.617056   48.630450
H         8.027993    5.911249   48.672539
H         9.141935    5.676215   50.068061
C         1.218572    2.529796   50.289571
H         0.514239    3.101445   49.671289
H         1.116032    1.470394   50.031793
H         0.979113    2.674515   51.351418
C         2.767187    4.926620   50.334965
H         2.008843    5.335616   49.654683
H         2.440721    5.070779   51.371913
H         3.712876    5.451498   50.168224
C         4.592822   -5.662249   44.289740
H         5.672702   -5.690254   44.485069
H         4.074917   -5.936679   45.215228
H         4.350186   -6.380153   43.495095
C         5.261355   -3.730921   42.303244
H         4.986413   -4.447235   41.517759
H         5.195740   -2.710259   41.916446
H         6.291931   -3.925724   42.628436
C         1.228503   -1.400768   45.137189
H         0.547756   -2.082507   44.615378
H         2.100252   -1.950951   45.518280
H         0.707962   -0.939533   45.987892
C         0.201497    0.650405   43.403331
H        -0.396088    1.035163   44.239985
H         0.414157    1.469911   42.707016
H        -0.362490   -0.135152   42.883432
C         5.029853    5.088143   40.120899
H         6.058595    4.744976   40.287415
H         4.383284    4.205591   40.051921
H         4.987339    5.658825   39.183975
C         5.708031    7.558983   41.380038
H         5.593164    8.249014   42.222070
H         6.736205    7.174319   41.370761
H         5.503645    8.084356   40.437545
C         0.356444    6.732740   46.261512
H        -0.320909    5.893703   46.466710
H         0.912836    6.961006   47.176361
H        -0.228702    7.612728   45.963217
C         0.301246    5.846545   43.553065
H        -0.318161    5.014435   43.913711
H        -0.340315    6.707805   43.332717
H         0.822112    5.532482   42.643793
C         9.540554    7.070000   44.599774
H         9.358503    7.121215   45.679239
H        10.440508    7.643394   44.341215
H         8.672758    7.510787   44.092526
C         9.962214    5.552928   42.225682
H         9.138370    6.155813   41.822760
H        10.912507    6.078342   42.062010
H         9.978978    4.586929   41.712204
C        11.228136    1.285365   46.604939
H        12.190139    0.851203   46.305383
H        11.342494    2.361614   46.760797
H        10.894986    0.820248   47.542029
C         4.310434   -5.056512   50.660317
C         4.200211   -4.143241   49.431778
C         5.387328   -3.140216   49.372309
C         6.746883   -3.887050   49.419605
C         6.832411   -4.800183   50.650886
C         5.659085   -5.787186   50.712485
H         4.220843   -4.749872   48.511244
H         3.249402   -3.590977   49.432065
H         4.186021   -4.451309   51.575084
H         3.481235   -5.778886   50.652906
H         6.844374   -4.486687   48.499167
H         7.568436   -3.155990   49.415708
H         7.789295   -5.341960   50.638959
H         6.837852   -4.179486   51.563470
H         5.727316   -6.489112   49.863590
H         5.723290   -6.396733   51.624404
H         5.322804   -2.500782   50.276058
C         5.274647   -2.233963   48.242611
C         5.173248   -1.454021   47.269792
Au        4.675180   -2.520036   45.529857

181
Au9T-I2
Au        3.206445    1.906500   43.988420
Au        5.559648    3.117108   45.035968
Au        3.128986    4.564401   44.887532
Au        5.375191    5.183414   43.252286
Au        6.194672    1.885519   47.625883
C        10.184730   -1.088749   44.932735
Au        7.900868    1.614865   45.344216
Au        3.440221    2.373690   46.759586
Au        5.240132    0.327606   45.507837
Au        7.914966    4.113850   43.818585
P         5.052304    6.761559   41.552150
P         6.581740    1.792977   49.943130
P         4.590942   -1.773319   44.699387
P         9.958579    0.724172   44.691955
P         1.958365    6.582517   44.885098
P         1.921815    0.946106   42.269644
P         2.303236    2.370613   48.809646
P         9.955554    4.954504   42.994031
C         4.251743    2.376723   51.577261
C         2.883132    8.519363   42.268056
H         3.046082   -2.012771   52.452847
C         2.969728   -1.180227   51.752938
C         3.614320    0.023435   52.027945
C         3.536632    1.128234   51.158779
C         2.719952    1.021044   50.004583
C         2.105900   -0.216259   49.720236
H         1.497900   -0.323696   48.821299
C         2.227002   -1.307066   50.577446
H         1.720792   -2.244183   50.343973
H        10.091426   -1.302011   46.005452
H         9.419739   -1.659465   44.396598
H        11.178987   -1.396749   44.581928
C         1.756594    9.281614   41.915451
H         4.202117    0.124907   52.941360
C         1.142118    9.153651   40.669773
C         1.652960    8.245004   39.743821
C         3.442902    7.644210   41.300900
H        13.576416    1.470482   42.855195
C         3.463171    8.755808   43.631188
C         4.595603    9.436787   46.129162
H        11.849706    2.634729   40.379951
H         5.033612    9.682613   47.096454
H        -0.163048   -2.427664   43.027281
H        -1.026385   -2.835556   45.313448
C         4.888424   10.203642   45.001077
C         4.327964    9.857198   43.772646
C         6.037306    4.028372   51.501482
H         6.980877    4.390783   51.095564
C         2.813874   -3.108296   40.131684
C         2.478049   -3.108634   41.485514
C         2.263298   -1.915761   42.196219
C         2.336730   -0.683226   41.497015
C         2.695675   -0.699037   40.134568
H         2.768849    0.230932   39.574452
C         2.939609   -1.894348   39.457836
H         3.201192   -1.872479   38.399520
H         2.688195    2.805403   52.991676
H         3.677460    4.939804   53.781615
C        11.588985    4.188906   43.414622
C        12.527977    4.968065   44.118515
H        12.262628    5.961675   44.473420
C        13.820893    4.504492   44.365317
H        14.527190    5.136263   44.904252
C        14.207868    3.250381   43.895214
C        13.280776    2.455343   43.220959
C        11.962545    2.885731   42.996788
H         2.372227   -4.056478   42.016084
C         1.867493   -2.057110   43.636547
C         2.760480   -2.033085   44.735995
C         2.244299   -2.231176   46.033908
H         2.913451   -2.184205   46.894174
C         0.897937   -2.510476   46.252210
H         0.535308   -2.693594   47.263925
C         0.025093   -2.587734   45.165220
C         0.512589   -2.357260   43.881044
C         9.478112    0.105653   42.065770
H         8.805906   -0.617622   42.528651
C        10.231285    0.976342   42.879281
C        11.064407    1.938651   42.258243
C        11.161395    1.933178   40.853209
C        10.434797    1.042886   40.064848
C         9.575610    0.129228   40.677490
H         8.998533   -0.575881   40.078669
H        10.548626    1.055997   38.980380
C         5.376074    4.811378   52.447394
H         5.812178    5.759691   52.761306
H        15.224489    2.889274   44.052738
H         3.196097    6.836809   39.299384
H         2.970259   -4.051974   39.608099
C         3.115443    8.020112   44.791497
C         3.718811    8.360826   46.018638
H         3.497829    7.779954   46.914235
H         1.359221    9.990060   42.644274
H         0.271185    9.762514   40.424993
C         4.182669    4.358543   53.009650
C         3.631592    3.155810   52.569211
H         5.544707   11.071284   45.075695
H         4.543404   10.463060   42.891055
H         1.183320    8.125596   38.767052
C         2.796161    7.508391   40.056573
C         5.514803    2.789501   51.078422
C         6.628930    0.066787   50.578321
H         6.853263    0.058161   51.653127
H         5.682552   -0.448592   50.392718
H         7.429512   -0.453352   50.035961
C         8.290328    2.377744   50.274950
H         8.969259    1.667088   49.785838
H         8.457471    3.367576   49.828615
H         8.494934    2.393241   51.353876
C         0.481709    2.201273   48.579072
H         0.141082    3.064071   47.992798
H         0.233146    1.292326   48.021943
H        -0.029666    2.189372   49.550834
C         2.425267    4.013019   49.620303
H         1.985834    4.731672   48.916098
H         1.863413    4.033419   50.561513
H         3.468391    4.288751   49.803231
C         5.257113   -3.173878   45.694021
H         6.352586   -3.140193   45.633389
H         4.970005   -3.081307   46.746526
H         4.894622   -4.131806   45.297707
C         5.279608   -2.123848   43.034654
H         4.992368   -3.122145   42.683439
H         4.959976   -1.369067   42.309240
H         6.371564   -2.074901   43.139147
C         0.138840    0.862453   42.721754
H        -0.451429    0.501817   41.868995
H        -0.006927    0.198843   43.579756
H        -0.187866    1.874412   42.994518
C         1.899186    2.144333   40.871955
H         1.540545    3.097481   41.280238
H         2.910068    2.299681   40.478414
H         1.225245    1.818643   40.068433
C         5.394830    5.925069   39.948165
H         6.380747    5.452017   40.039047
H         4.658723    5.136292   39.755453
H         5.411283    6.635862   39.111515
C         6.318550    8.099942   41.558693
H         6.284139    8.649058   42.505017
H         7.306415    7.633646   41.452242
H         6.146835    8.789127   40.721412
C         0.948424    6.910821   46.390937
H         0.163092    6.145323   46.441677
H         1.556835    6.850070   47.298841
H         0.485712    7.905130   46.330531
C         0.682486    6.657161   43.566780
H        -0.038661    5.858666   43.787321
H         0.164178    7.623788   43.570737
H         1.121261    6.479633   42.580381
C        10.054975    6.675196   43.638233
H        10.076609    6.669278   44.734973
H        10.923960    7.214111   43.238774
H         9.137600    7.188996   43.325317
C        10.012171    5.206551   41.168701
H         9.171531    5.852863   40.885309
H        10.956095    5.686379   40.878511
H         9.910383    4.246932   40.651543
C        11.322087    1.414221   45.703953
H        12.294347    1.019573   45.386191
H        11.329752    2.507671   45.661548
H        11.123017    1.105848   46.739023
C         9.689304    7.980599   52.105668
C         8.952694    7.048658   51.133620
C         9.717691    6.908712   49.792569
C        11.172933    6.438242   50.048014
C        11.899389    7.372512   51.025497
C        11.133680    7.521760   52.346890
H         8.858480    6.045394   51.585010
H         7.933963    7.414520   50.936557
H         9.693985    9.003491   51.691317
H         9.140358    8.034634   53.057379
H        11.141630    5.415482   50.460399
H        11.711726    6.378968   49.091209
H        12.914624    6.993669   51.212677
H        12.019197    8.365269   50.559024
H        11.125441    6.552642   52.875165
H        11.650887    8.231516   53.007867
H         9.772149    7.918133   49.341371
C         9.018049    6.044355   48.840237
C         8.435483    5.341042   48.017737
Au        7.594650    4.262112   46.607037

181
Au9T-I3
Au        3.026176    1.707881   44.095715
Au        5.430299    2.996380   44.928645
Au        3.034550    4.462212   44.762199
Au        5.328424    4.994895   43.076680
Au        6.243523    1.995949   47.494411
C         9.795603   -1.034321   43.852845
Au        7.786273    1.563462   45.077697
Au        3.365055    2.450340   46.773629
Au        5.092566    0.244585   45.633281
Au        7.767557    4.279913   44.244285
P         4.998004    6.416593   41.247136
P         6.941873    2.527687   49.683725
P         4.262279   -1.929821   45.215210
P         9.856182    0.750459   44.291167
P         1.843043    6.456239   44.534827
P         1.959246    0.657555   42.285321
P         2.467224    2.504882   48.943345
P         9.870236    5.336383   44.211124
C         4.704114    2.930391   51.465709
C         2.777072    8.177116   41.769722
H         4.287848   -1.542453   52.596589
C         3.990889   -0.760333   51.897459
C         4.497249    0.529912   52.038019
C         4.136227    1.574093   51.164321
C         3.185294    1.303436   50.149149
C         2.705374   -0.014512   50.002387
H         1.990165   -0.242655   49.211828
C         3.099505   -1.037642   50.859736
H         2.692444   -2.041523   50.735469
H         9.603534   -1.580654   44.787106
H         8.979106   -1.248394   43.155197
H        10.750975   -1.356542   43.417235
C         1.639533    8.878124   41.334969
H         5.187985    0.752518   52.852406
C         1.052588    8.630011   40.094023
C         1.603393    7.660321   39.257090
C         3.376589    7.238374   40.890214
H        13.631516    2.074079   43.525707
C         3.323754    8.545814   43.117503
C         4.368133    9.495931   45.565781
H        12.276805    4.100107   41.355964
H         4.764360    9.852637   46.517039
H        -0.411499   -2.363502   43.270385
H        -1.469861   -2.413580   45.511549
C         4.676345   10.156884   44.376058
C         4.158211    9.678236   43.173653
C         6.288856    4.761907   51.242395
H         7.176671    5.203376   50.793656
C         2.776798   -3.674353   40.762308
C         2.303395   -3.479730   42.059621
C         2.119372   -2.193841   42.594631
C         2.359915   -1.070145   41.764114
C         2.858854   -1.281742   40.463837
H         3.065999   -0.437219   39.809472
C         3.076169   -2.568019   39.968265
H         3.453790   -2.700795   38.954244
H         3.185850    3.234320   52.958088
H         3.964274    5.496713   53.619186
C        11.442276    4.449763   44.624982
C        12.210390    4.927621   45.705412
H        11.844754    5.749038   46.318714
C        13.463236    4.391045   46.003819
H        14.037115    4.790242   46.840472
C        13.985777    3.371986   45.208671
C        13.228046    2.872377   44.150353
C        11.945656    3.367447   43.857365
H         2.069040   -4.341905   42.686050
C         1.598684   -2.117097   43.999025
C         2.415383   -2.053934   45.155592
C         1.792131   -2.066415   46.420824
H         2.403459   -2.008527   47.321277
C         0.411005   -2.183697   46.559378
H        -0.036726   -2.223913   47.553208
C        -0.390368   -2.288727   45.421480
C         0.206610   -2.255061   44.163045
C         9.881735    1.083293   41.552363
H         9.221019    0.217591   41.584319
C        10.408086    1.610367   42.749542
C        11.247855    2.751653   42.679010
C        11.575861    3.265624   41.410606
C        11.064654    2.717783   40.234835
C        10.200692    1.624854   40.309039
H         9.795781    1.175290   39.401579
H        11.353989    3.131743   39.268303
C         5.601825    5.501029   52.205537
H         5.955410    6.496021   52.477969
H        14.978500    2.967599   45.407805
H         3.189499    6.260037   38.960318
H         2.909578   -4.685088   40.375743
C         2.964576    7.912662   44.333743
C         3.523332    8.389070   45.537428
H         3.285423    7.895736   46.479906
H         1.211506    9.635573   41.993661
H         0.171936    9.193228   39.784316
C         4.490088    4.946193   52.838449
C         4.055462    3.674058   52.466505
H         5.306135   11.047013   44.382749
H         4.381605   10.202438   42.243063
H         1.155997    7.447872   38.285684
C         2.758072    6.982352   39.650690
C         5.876365    3.466693   50.871545
C         7.530808    1.030574   50.567964
H         7.961776    1.310570   51.538552
H         6.710003    0.322430   50.712726
H         8.289658    0.546650   49.938686
C         8.487977    3.516371   49.540616
H         9.189991    2.914159   48.949562
H         8.306553    4.456746   49.007549
H         8.927442    3.717328   50.526440
C         0.666613    2.112780   48.929747
H         0.163185    2.889839   48.340337
H         0.473825    1.147306   48.451024
H         0.264356    2.106158   49.951762
C         2.473326    4.207161   49.631725
H         1.899990    4.823583   48.927169
H         1.993439    4.238812   50.617111
H         3.491271    4.601847   49.703676
C         4.753792   -3.092840   46.551437
H         5.851456   -3.138499   46.566952
H         4.431161   -2.728113   47.532359
H         4.329705   -4.088289   46.364836
C         5.034311   -2.694716   43.737043
H         4.680134   -3.722322   43.592373
H         4.843742   -2.104212   42.835307
H         6.113949   -2.708008   43.938618
C         0.125824    0.729824   42.431623
H        -0.343399    0.303179   41.535019
H        -0.205143    0.182487   43.319688
H        -0.164823    1.783198   42.535855
C         2.263166    1.692900   40.793783
H         1.943008    2.711940   41.044741
H         3.332487    1.717256   40.553975
H         1.687572    1.336271   39.929476
C         5.401918    5.460587   39.726310
H         6.399997    5.030436   39.877551
H         4.694088    4.636078   39.583348
H         5.417914    6.100775   38.834578
C         6.242853    7.772742   41.174734
H         6.177126    8.397086   42.071381
H         7.237574    7.310701   41.129746
H         6.083972    8.389102   40.279780
C         0.799833    6.884778   45.991720
H         0.026226    6.111890   46.086925
H         1.390144    6.900902   46.913289
H         0.324003    7.863876   45.846490
C         0.592422    6.383721   43.193655
H        -0.110777    5.585869   43.468536
H         0.048671    7.332347   43.107675
H         1.055395    6.136277   42.233895
C         9.787521    6.752471   45.386759
H         9.642540    6.399089   46.414080
H        10.684436    7.382979   45.328112
H         8.910962    7.349692   45.104891
C        10.211318    6.198308   42.617633
H         9.414352    6.935175   42.455299
H        11.180139    6.712977   42.663751
H        10.212988    5.480183   41.790975
C        11.154285    0.778862   45.586165
H        12.104907    0.394311   45.195920
H        11.297817    1.787747   45.983862
H        10.790497    0.120424   46.387426
C         9.800223   -6.665422   49.105906
C         9.089214   -5.485465   48.428297
C         9.617794   -4.128465   48.962023
C        11.158558   -4.043138   48.799062
C        11.857586   -5.231395   49.474172
C        11.325104   -6.574157   48.955106
H         9.258592   -5.520261   47.339017
H         8.002209   -5.543410   48.586902
H         9.539431   -6.679838   50.178133
H         9.429553   -7.611190   48.683583
H        11.392557   -4.033201   47.721190
H        11.518646   -3.090634   49.215561
H        12.943197   -5.161002   49.311670
H        11.702105   -5.172910   50.564977
H        11.593433   -6.686293   47.890576
H        11.808585   -7.405413   49.488091
H         9.397506   -4.090623   50.046138
C         8.942347   -2.992942   48.335564
C         8.382487   -2.041125   47.797327
Au        7.526767   -0.503719   46.941014

181
Au9T-I4
Au        3.200922    1.630778   44.472151
Au        5.651692    2.909996   45.113538
Au        3.272310    4.380692   45.186343
Au        5.399290    4.981495   43.343424
Au        6.708224    1.751957   47.480325
C        10.431609   -0.967363   44.023189
Au        8.042346    1.450166   45.015667
Au        3.776676    2.287624   47.141552
Au        5.543986    0.100682   45.489208
Au        7.922202    4.226988   44.303585
P         4.885819    6.428147   41.574997
P         7.203532    2.472400   49.663164
P         4.808244   -2.045783   44.809956
P        10.190548    0.832722   44.331382
P         1.923526    6.290393   45.024656
P         1.945420    0.717254   42.715657
P         2.658167    2.271347   49.262519
P         9.948854    5.379058   44.020650
C         5.009583    3.993903   50.863757
C         2.569314    8.032915   42.188051
H         4.556254    1.320682   54.608774
C         4.253454    1.474826   53.572760
C         4.756842    2.557930   52.852992
C         4.390362    2.793651   51.516862
C         3.431050    1.940119   50.913184
C         2.960501    0.829858   51.641024
H         2.260593    0.132933   51.186872
C         3.369769    0.592918   52.953046
H         2.980907   -0.271933   53.490881
H        10.293980   -1.489374   44.979121
H         9.695471   -1.352391   43.310194
H        11.443731   -1.157818   43.642429
C         1.361949    8.638749   41.800985
H         5.457840    3.245350   53.329034
C         0.730519    8.318863   40.599122
C         1.306918    7.372186   39.753058
C         3.190870    7.122035   41.294560
H        13.877590    2.325628   43.279648
C         3.152503    8.469282   43.500272
C         4.235248    9.545591   45.877886
H        12.313173    4.102056   41.081278
H         4.647423    9.952100   46.801949
H         0.025815   -2.790613   43.288552
H        -0.746133   -3.326858   45.583048
C         4.420434   10.212415   44.666006
C         3.885055    9.671407   43.498476
C         6.717157    5.180322   49.599284
H         7.618696    5.175746   48.987331
C         2.931050   -3.117142   40.254275
C         2.609771   -3.233992   41.606297
C         2.399390   -2.106561   42.417838
C         2.442734   -0.821753   41.818613
C         2.795074   -0.717479   40.458475
H         2.851777    0.256937   39.977312
C         3.049215   -1.849938   39.683973
H         3.308654   -1.738058   38.630872
H         3.542324    5.266540   51.787361
H         4.497160    7.387660   50.932697
C        11.601196    4.618881   44.378990
C        12.394758    5.201838   45.386907
H        12.010963    6.031343   45.977541
C        13.694745    4.761965   45.639736
H        14.286893    5.243348   46.418379
C        14.237636    3.733702   44.870810
C        13.457103    3.130532   43.884654
C        12.132049    3.529031   43.640189
H         2.520883   -4.223092   42.058647
C         2.055718   -2.356416   43.855187
C         2.986840   -2.350975   44.925351
C         2.524742   -2.630648   46.228685
H         3.212122   -2.603523   47.075658
C         1.193369   -2.961421   46.473397
H         0.874389   -3.190174   47.490670
C         0.289577   -3.031004   45.412994
C         0.725008   -2.728644   44.124006
C        10.046044    1.024977   41.596456
H         9.408857    0.149059   41.721635
C        10.621014    1.642455   42.726164
C        11.410543    2.804904   42.541308
C        11.652831    3.245822   41.226318
C        11.103230    2.604714   40.117464
C        10.280357    1.493599   40.306310
H         9.840656    0.977649   39.452225
H        11.326373    2.964903   39.112752
C         6.109893    6.402379   49.874984
H         6.547446    7.324569   49.491669
H        15.263768    3.402944   45.033277
H         2.976436    6.088268   39.396585
H         3.086543   -4.012077   39.650675
C         2.914054    7.826830   44.741187
C         3.491895    8.368438   45.907718
H         3.347863    7.870579   46.866814
H         0.913934    9.377902   42.467130
H        -0.204293    8.809172   40.325974
C         4.963562    6.437228   50.670576
C         4.426708    5.243620   51.148842
H         4.968810   11.154076   44.629285
H         4.013544   10.197850   42.551368
H         0.825976    7.104394   38.811875
C         2.528435    6.791311   40.096113
C         6.207625    3.967432   50.106200
C         7.045612    1.147455   50.917667
H         7.255755    1.530649   51.923352
H         6.053838    0.685064   50.882297
H         7.787887    0.382593   50.651848
C         8.954854    3.001787   49.879977
H         9.584245    2.109700   49.763126
H         9.249462    3.732864   49.120160
H         9.105971    3.426068   50.881340
C         1.288650    1.054140   49.106520
H         0.740191    1.305641   48.189926
H         1.691694    0.039894   49.000925
H         0.605178    1.110712   49.963842
C         1.729684    3.848959   49.491896
H         1.076635    3.985472   48.620358
H         1.121122    3.799992   50.404510
H         2.426233    4.691371   49.555858
C         5.546799   -3.330429   45.898525
H         6.634910   -3.301490   45.755036
H         5.331597   -3.118378   46.953299
H         5.164148   -4.323286   45.627126
C         5.441004   -2.526022   43.152834
H         5.134719   -3.547121   42.894082
H         5.105291   -1.830357   42.377617
H         6.536220   -2.483476   43.218893
C         0.171588    0.502314   43.155395
H        -0.396523    0.161570   42.279731
H         0.065634   -0.221497   43.969368
H        -0.213723    1.474466   43.489504
C         1.856388    2.012099   41.409190
H         1.447946    2.914026   41.881367
H         2.858105    2.247951   41.032675
H         1.201633    1.706405   40.582577
C         5.305293    5.541620   40.016119
H         6.343525    5.200633   40.114661
H         4.670363    4.657923   39.884635
H         5.222478    6.197656   39.139413
C         6.014479    7.882518   41.487091
H         5.944925    8.476645   42.403501
H         7.039183    7.504860   41.378871
H         5.762048    8.506153   40.619135
C         0.926647    6.673741   46.526514
H         0.194243    5.866284   46.653413
H         1.554694    6.715004   47.421774
H         0.399163    7.629031   46.403317
C         0.608802    6.113344   43.753273
H        -0.020481    5.272147   44.073511
H        -0.004613    7.020217   43.689427
H         1.034947    5.888774   42.771001
C         9.876353    6.888116   45.075083
H         9.817417    6.622019   46.136774
H        10.735664    7.549151   44.900697
H         8.954025    7.418426   44.806518
C        10.116362    6.112585   42.337796
H         9.264814    6.786754   42.179729
H        11.052188    6.682141   42.262968
H        10.098144    5.326640   41.575774
C        11.451337    1.164417   45.622259
H        12.453972    0.881096   45.279042
H        11.446063    2.217684   45.918464
H        11.174453    0.547281   46.487534
C         4.199419   -6.557380   50.853089
C         4.318391   -5.306392   49.971086
C         4.269493   -4.009587   50.821036
C         5.359954   -4.043145   51.923870
C         5.235439   -5.301499   52.794173
C         5.271799   -6.583034   51.950451
H         5.274810   -5.325031   49.422141
H         3.514591   -5.285036   49.219629
H         3.199120   -6.579671   51.318703
H         4.269055   -7.458153   50.225899
H         6.347900   -4.021742   51.434238
H         5.288899   -3.134093   52.538988
H         6.041889   -5.312225   53.542282
H         4.287980   -5.262992   53.358457
H         6.267332   -6.686565   51.485377
H         5.135248   -7.464367   52.593576
H         3.285863   -3.984672   51.328061
C         4.375894   -2.806163   49.995250
C         4.489202   -1.802210   49.296920
Au        4.718148   -0.181807   48.218152

181
Au9T-I5
Au        3.058650    1.579857   45.286267
Au        5.543980    2.898415   45.157971
Au        3.246927    4.455317   45.269104
Au        5.213728    4.866165   43.242950
Au        6.676763    1.496556   47.298720
C        10.335130   -0.581155   43.218660
Au        7.981368    1.585914   44.728731
Au        3.962540    2.907734   47.563383
Au        5.663083    0.009908   45.147503
Au        7.725697    4.391749   44.362220
P         4.678207    6.097522   41.319355
P         7.411933    1.742616   49.508313
P         5.479890   -2.271311   44.528144
P        10.115490    1.125033   43.881977
P         1.734941    6.185103   44.823880
P         1.668224    0.065069   44.158971
P         3.208201    3.286333   49.776543
P         9.699903    5.649529   44.338292
C         6.147818    3.812520   51.161040
C         2.282052    7.631736   41.792624
H         5.096216    1.051737   54.729891
C         4.776176    1.435164   53.760463
C         5.576193    2.347067   53.071509
C         5.198064    2.861327   51.820699
C         3.936472    2.497126   51.284575
C         3.156850    1.549248   51.975016
H         2.201551    1.222500   51.570615
C         3.573694    1.014791   53.194579
H         2.943226    0.288921   53.708384
H        10.231912   -1.278463   44.060153
H         9.569658   -0.820175   42.473347
H        11.330728   -0.696074   42.769725
C         1.034099    8.118816   41.367921
H         6.526174    2.668218   53.501963
C         0.418046    7.652577   40.206647
C         1.051853    6.675733   39.439945
C         2.954793    6.682718   40.979172
H        13.777958    2.911102   43.260000
C         2.842838    8.237756   43.046752
C         3.835691    9.651027   45.285458
H        12.235903    4.968564   41.336776
H         4.209502   10.188464   46.157254
H         1.144287   -3.707421   42.431047
H         0.839104   -5.626624   43.976598
C         4.007498   10.172444   44.002459
C         3.518059    9.465452   42.905508
C         7.932878    4.431951   49.630048
H         8.636098    4.165913   48.839189
C         3.585410   -1.197683   40.103321
C         3.531768   -2.151035   41.117784
C         3.007804   -1.855951   42.391392
C         2.484318   -0.561199   42.622098
C         2.577327    0.402385   41.596944
H         2.212156    1.414987   41.773961
C         3.115985    0.093878   40.351027
H         3.150906    0.852877   39.568725
H         5.460979    5.412228   52.425603
H         7.003983    7.118961   51.500371
C        11.356216    4.877325   44.644291
C        12.076346    5.287476   45.783809
H        11.630073    5.980346   46.494634
C        13.381257    4.852390   46.019510
H        13.915428    5.198006   46.904833
C        14.004854    4.009898   45.099979
C        13.295960    3.573241   43.981051
C        11.964594    3.958580   43.749113
H         3.884482   -3.165476   40.926257
C         2.934510   -2.981140   43.377615
C         3.898159   -3.223475   44.389028
C         3.688446   -4.292930   45.280446
H         4.391036   -4.481729   46.088607
C         2.590477   -5.143833   45.149520
H         2.461050   -5.968314   45.850661
C         1.683168   -4.949174   44.109523
C         1.858345   -3.872884   43.239434
C        10.032349    1.805154   41.215032
H         9.417460    0.907189   41.157549
C        10.553785    2.221983   42.456911
C        11.315371    3.417120   42.509024
C        11.594820    4.086466   41.302679
C        11.100487    3.640841   40.077794
C        10.297432    2.500468   40.037538
H         9.898941    2.135971   39.090194
H        11.352172    4.175351   39.161190
C         7.900799    5.747194   50.084742
H         8.577851    6.488941   49.660216
H        15.037564    3.693871   45.249942
H         2.796206    5.469528   39.184751
H         3.983363   -1.464802   39.123844
C         2.623525    7.737513   44.354744
C         3.155584    8.447284   45.450827
H         3.025160    8.061138   46.461922
H         0.543542    8.885357   41.970118
H        -0.548727    8.054876   39.902338
C         7.017993    6.101916   51.107009
C         6.152802    5.141877   51.626342
H         4.507147   11.130562   43.855080
H         3.632684    9.880074   41.902963
H         0.585320    6.296121   38.530445
C         2.309018    6.205538   39.821377
C         7.093862    3.439151   50.175955
C         6.745313    0.427490   50.592422
H         7.092012    0.550207   51.624918
H         5.651631    0.395699   50.555868
H         7.124819   -0.520437   50.186883
C         9.230486    1.531467   49.720036
H         9.489335    0.509587   49.413303
H         9.786361    2.236613   49.093780
H         9.508186    1.678755   50.772235
C         1.458339    2.716316   49.751111
H         0.952348    3.268785   48.949364
H         1.408857    1.646534   49.515678
H         0.954852    2.921213   50.705041
C         3.025445    5.072443   50.192703
H         2.384805    5.528900   49.427578
H         2.557687    5.186412   51.179614
H         4.000394    5.569686   50.184670
C         6.443084   -3.149066   45.826195
H         7.433978   -2.679248   45.864525
H         5.963509   -3.018650   46.804326
H         6.558371   -4.215633   45.592811
C         6.417579   -2.678419   42.994834
H         6.417704   -3.763303   42.824984
H         5.975825   -2.168058   42.132686
H         7.448285   -2.326504   43.129554
C         1.089170   -1.277977   45.259288
H         0.459043   -1.993333   44.718094
H         1.930011   -1.793958   45.734010
H         0.498370   -0.790639   46.046881
C         0.081362    0.783721   43.557646
H        -0.486251    1.130654   44.430728
H         0.259527    1.635075   42.892870
H        -0.500654    0.020451   43.023979
C         5.142238    5.077416   39.858936
H         6.196429    4.801786   39.988661
H         4.552708    4.154410   39.823737
H         5.028545    5.635035   38.919787
C         5.751232    7.578901   41.096943
H         5.640017    8.259854   41.946566
H         6.792166    7.234765   41.044058
H         5.489585    8.099941   40.166447
C         0.649379    6.689804   46.224687
H         0.015590    5.831937   46.484124
H         1.238767    6.965558   47.104985
H         0.016426    7.538042   45.931579
C         0.500837    5.704287   43.552571
H        -0.060885    4.858985   43.972306
H        -0.190796    6.527244   43.335951
H         0.991612    5.383122   42.628827
C         9.535623    6.963412   45.618052
H         9.417244    6.524626   46.615088
H        10.390340    7.652507   45.606207
H         8.619759    7.520559   45.382834
C         9.903194    6.652287   42.806584
H         9.033224    7.316751   42.725657
H        10.819593    7.254326   42.865123
H         9.943220    6.002316   41.927001
C        11.413341    1.180795   45.179962
H        12.406609    0.984264   44.758749
H        11.415177    2.145763   45.695452
H        11.162198    0.391835   45.901554
C         2.376652   -5.944809   50.578509
C         2.774746   -4.799217   49.638473
C         2.889947   -3.453121   50.400917
C         3.872531   -3.588855   51.593335
C         3.467707   -4.740959   52.522968
C         3.344355   -6.068826   51.763122
H         3.752983   -5.017769   49.177231
H         2.046947   -4.692512   48.820610
H         1.355806   -5.766361   50.956377
H         2.337525   -6.889334   50.015899
H         4.883484   -3.768807   51.191231
H         3.912894   -2.637800   52.144474
H         4.200290   -4.833389   53.338359
H         2.501032   -4.502236   52.998691
H         4.339204   -6.370291   51.391958
H         3.011161   -6.866033   52.442737
H         1.890295   -3.226603   50.818593
C         3.256874   -2.351833   49.510383
C         3.585040   -1.434016   48.762510
Au        4.102915    0.029770   47.565489

181
Au9T-I6
Au        3.254370    1.471543   45.002701
Au        5.694607    2.917456   45.075637
Au        3.283085    4.296563   45.322831
Au        5.164458    4.955412   43.289612
Au        7.082889    1.899341   47.299749
C        10.407047   -0.611836   43.105250
Au        8.145462    1.616782   44.682234
Au        4.149499    2.558531   47.437876
Au        5.846735    0.115599   45.543123
Au        7.782584    4.407486   44.122414
P         4.458361    6.345784   41.530618
P         7.949301    2.246804   49.433097
P         5.702285   -2.251474   45.272107
P        10.206466    1.129814   43.674282
P         1.700138    6.003293   45.147345
P         2.127606   -0.022436   43.577450
P         3.556590    2.843722   49.713937
P         9.718056    5.691618   43.858671
C         6.343892    3.798421   51.318825
C         2.042581    7.747156   42.260592
H         5.801867    0.392805   54.400817
C         5.443364    0.829244   53.468071
C         6.017651    2.002096   52.980083
C         5.583827    2.595098   51.781791
C         4.466784    2.033464   51.109027
C         3.935523    0.816566   51.582470
H         3.125272    0.324914   51.045506
C         4.425558    0.213282   52.740774
H         3.989013   -0.724310   53.084999
H        10.424865   -1.249618   43.998370
H         9.569938   -0.925422   42.473611
H        11.349612   -0.731231   42.554402
C         0.758913    8.224623   41.946491
H         6.840568    2.469719   53.523532
C         0.089817    7.828322   40.788644
C         0.706430    6.935121   39.913508
C         2.697170    6.890432   41.337273
H        13.752684    2.931341   42.672463
C         2.653127    8.255317   43.533461
C         3.748713    9.463288   45.841839
H        12.009271    4.855265   40.740034
H         4.166943    9.919113   46.739883
H         1.993701   -3.965998   42.338954
H         1.239559   -5.649285   44.000252
C         3.824579   10.118349   44.611892
C         3.284627    9.512368   43.478792
C         7.997352    4.954738   49.958382
H         8.749638    4.948124   49.169470
C         5.020134   -1.814220   40.387683
C         4.688652   -2.603758   41.487005
C         3.855761   -2.133636   42.520103
C         3.300895   -0.835065   42.400453
C         3.673044   -0.036711   41.299436
H         3.282332    0.976694   41.207540
C         4.519581   -0.513941   40.302380
H         4.767238    0.119681   39.450183
H         5.385605    5.030316   52.799171
H         6.599847    7.106636   52.193726
C        11.413420    4.978688   44.080814
C        12.216981    5.497224   45.115308
H        11.816888    6.243925   45.798557
C        13.545622    5.102323   45.276833
H        14.144822    5.533644   46.079057
C        14.106653    4.187631   44.386647
C        13.317158    3.646212   43.372427
C        11.964637    3.995746   43.217673
H         5.061519   -3.627060   41.550664
C         3.503942   -3.105118   43.606103
C         4.168806   -3.200944   44.855558
C         3.700467   -4.133718   45.800981
H         4.160181   -4.196928   46.784278
C         2.645864   -4.998345   45.508805
H         2.310942   -5.712491   46.261216
C         2.043419   -4.957108   44.252793
C         2.471033   -4.013315   43.319139
C         9.912352    1.628112   40.982634
H         9.326575    0.710301   41.027682
C        10.507970    2.140137   42.153668
C        11.232221    3.356784   42.073014
C        11.395946    3.955718   40.809651
C        10.827801    3.418366   39.655745
C        10.066204    2.253010   39.747389
H         9.613044    1.815876   38.856980
H        10.991056    3.900298   38.691222
C         7.725987    6.156543   50.607693
H         8.260439    7.062477   50.320849
H        15.154117    3.898343   44.476835
H         2.469634    5.816980   39.462712
H         5.652872   -2.218514   39.596831
C         2.525539    7.619772   44.793734
C         3.108149    8.229670   45.923708
H         3.051924    7.738854   46.895600
H         0.281321    8.923555   42.635140
H        -0.905234    8.218240   40.572641
C         6.795729    6.182594   51.648533
C         6.117154    5.014673   51.989832
H         4.291365   11.100892   44.534795
H         3.325599   10.029577   42.519080
H         0.198109    6.609093   39.005819
C         1.998771    6.482575   40.183536
C         7.346783    3.756840   50.317347
C         7.782210    0.754956   50.487454
H         8.215282    0.926580   51.480239
H         6.736306    0.448842   50.583007
H         8.340158   -0.044051   49.980674
C         9.779399    2.462503   49.388985
H        10.212223    1.524873   49.016964
H        10.070405    3.268233   48.707528
H        10.166174    2.670664   50.395275
C         1.841504    2.195948   49.870210
H         1.211456    2.780467   49.187298
H         1.795419    1.144327   49.560938
H         1.474610    2.308542   50.898819
C         3.338848    4.613888   50.171941
H         2.579592    5.025829   49.494840
H         2.988233    4.704812   51.208308
H         4.270955    5.171797   50.045038
C         6.303218   -2.973133   46.852529
H         7.273999   -2.508920   47.068347
H         5.611342   -2.729498   47.668100
H         6.433857   -4.060146   46.770080
C         6.968173   -2.851587   44.073192
H         6.969660   -3.949393   44.041668
H         6.764249   -2.452794   43.074445
H         7.948370   -2.491360   44.411273
C         1.108157   -1.237844   44.492920
H         0.611080   -1.934204   43.807259
H         1.709412   -1.785527   45.225625
H         0.352885   -0.654007   45.036711
C         0.878319    0.789058   42.492683
H         0.088184    1.188975   43.141320
H         1.314990    1.619134   41.928298
H         0.443745    0.058016   41.797851
C         4.868357    5.491007   39.952136
H         5.937628    5.247437   39.991648
H         4.310609    4.552009   39.859767
H         4.676066    6.130599   39.080559
C         5.461737    7.885915   41.389061
H         5.385882    8.476745   42.307141
H         6.507608    7.589690   41.237135
H         5.123583    8.484049   40.532756
C         0.701972    6.325807   46.661993
H         0.107221    5.426601   46.869341
H         1.344162    6.525233   47.525876
H         0.031144    7.180745   46.503160
C         0.393597    5.618937   43.917513
H        -0.118841    4.719511   44.284391
H        -0.328489    6.440285   43.835055
H         0.825349    5.407530   42.934618
C         9.618196    7.082706   45.060645
H         9.612567    6.710734   46.091623
H        10.438939    7.798573   44.921951
H         8.662476    7.590455   44.878643
C         9.772845    6.594944   42.254014
H         8.883475    7.236132   42.202263
H        10.675891    7.217375   42.199870
H         9.757590    5.889655   41.417226
C        11.602052    1.290297   44.857422
H        12.562748    1.081874   44.371099
H        11.625329    2.286626   45.308941
H        11.424872    0.546167   45.645410
C         0.433431   -5.462007   50.499029
C         1.113076   -4.486845   49.527282
C         1.584500   -3.200016   50.253771
C         2.506077   -3.562854   51.446839
C         1.821056   -4.543622   52.408911
C         1.342465   -5.809398   51.685048
H         1.996361   -4.968248   49.073176
H         0.434133   -4.215704   48.705755
H        -0.500699   -5.009172   50.873007
H         0.139924   -6.375144   49.960655
H         3.432254   -4.010465   51.048667
H         2.799233   -2.643095   51.974853
H         2.512704   -4.806473   53.222973
H         0.957466   -4.045189   52.882233
H         2.217547   -6.375705   51.322317
H         0.814617   -6.469677   52.387736
H         0.683030   -2.708341   50.667510
C         2.222018   -2.255704   49.334500
C         2.775180   -1.479305   48.559876
Au        3.616536   -0.248868   47.287750

181
Au9T-I7
C        -8.545288   12.858568   32.623002
C        -7.324618   13.789256   32.606535
C        -7.120149   14.427547   31.207425
C        -8.412647   15.159284   30.749839
C        -9.626634   14.221413   30.780832
C        -9.817626   13.583226   32.163065
H        -7.461777   14.601881   33.338665
H        -6.415278   13.245036   32.903694
H        -8.356085   11.996471   31.959715
H        -8.682092   12.448463   33.634319
H        -8.579930   16.013964   31.425477
H        -8.262714   15.574156   29.742699
H       -10.527389   14.780219   30.488333
H        -9.494589   13.427474   30.025498
H       -10.074072   14.368185   32.895043
H       -10.666347   12.884836   32.144965
H        -6.936360   13.605805   30.487265
C        -5.968343   15.327807   31.176582
C        -5.040502   16.137127   31.178436
Au       -4.002415   17.818040   31.394240
Au        1.052462   16.291910   30.505817
Au        1.554240   14.309825   32.483581
Au       -1.686828   16.931909   30.159469
Au       -0.458561   15.458549   28.184765
Au       -0.831682   14.192467   30.879107
Au        2.966125   17.525444   29.003127
Au       -0.561446   16.167292   32.835260
Au        0.215359   18.215904   28.532326
Au        3.629617   15.871093   31.177698
P         2.262330   12.618633   33.975853
P         0.372376   20.040587   27.076669
P        -2.217938   12.544901   29.936863
P         0.241400   14.049099   26.476688
P        -1.324353   17.361217   34.705912
P         4.567346   18.538931   27.604775
P         5.550846   15.046322   32.189200
P        -3.289126   19.993091   31.881365
C         5.233056   13.827489   34.837625
C         5.260764   13.982847   36.237515
C         5.397757   15.231639   36.839725
C         5.499128   16.372062   36.040104
H         5.601353   17.358802   36.492761
C         5.501058   16.239508   34.654353
H         5.597091   17.139214   34.044733
C         5.405086   14.977829   34.030252
C         4.512488   18.458847   24.807518
H         5.014723   17.501371   24.935083
C         5.131833   12.425276   34.315193
C         6.349340   10.350197   33.865243
C         4.125064   19.212356   25.934128
C         6.315036   11.667115   34.323340
C         3.926962   11.806136   33.890202
C         3.984139   10.482450   33.409434
H         3.080117    9.984146   33.065081
C        -0.711699   19.106104   34.679959
C        -0.575075    9.470260   26.308499
C        -1.621577   10.347944   26.592459
C        -2.953083   20.406487   34.758716
C        -3.530966   20.666870   36.015122
C        -4.905659   20.836382   36.171870
C        -5.739967   20.752612   35.056332
H        -6.817753   20.880099   35.158272
C        -5.185978   20.516701   33.800278
H        -5.856805   20.455499   32.943044
C        -3.795113   20.360433   33.621585
C        -1.401770   11.725866   26.748354
C         1.716706   21.255893   27.456730
H         0.450956   22.094110   29.006657
C         2.268883   23.204505   28.834282
H        -0.774242    8.404647   26.190355
H        -2.637841    9.965635   26.699384
C         5.179231    9.762771   33.386444
H         5.185036    8.735962   33.019263
C         2.980926   21.352938   26.823168
C         3.824275   22.426044   27.170163
C        -0.758946   21.528804   34.784708
C        -1.458395   20.307167   34.718648
C        -2.578603   12.607938   27.028660
C        -2.982585   13.027695   28.321923
C        -4.072787   13.913293   28.437097
H        -4.367556   14.309950   29.410754
C        -4.799534   14.321175   27.320021
H        -5.641407   15.001707   27.448743
C        -4.457066   13.840920   26.056232
C        -3.352484   13.000535   25.921299
C         3.306156   20.919673   24.409995
C         3.461800   20.450510   25.725683
C         3.716055   20.171216   23.307175
H        -5.040750   14.119448   25.178185
H        -3.075546   12.623004   24.935478
C        -0.093785   12.234311   26.550549
C         1.366843   20.400156   34.688098
H         2.456683   20.424435   34.667907
C         0.957215   11.335929   26.284989
H         1.972833   11.700476   26.140924
H         1.987090   23.907553   29.618626
C         0.722732    9.964638   26.174637
H         1.551623    9.289786   25.959164
H        -2.874729   20.739576   36.883985
H        -5.321232   21.036172   37.159882
C         4.302040   18.921931   23.508331
H         4.626613   18.319092   22.659791
C         0.632373   21.584925   34.775861
H         4.772741   22.529737   26.640955
H         4.155900   24.170330   28.394049
C         0.697041   19.181281   34.637661
H         1.280602   18.261293   34.562387
H         1.139410   22.548558   34.835859
H        -1.337943   22.451483   34.845833
H         5.429747   15.312425   37.926687
C         1.403108   22.172676   28.481654
H         5.182022   13.089350   36.858570
H         7.228169   12.133353   34.697420
C         3.481269   23.347024   28.157357
H         7.283720    9.788767   33.885266
H         3.580479   20.564428   22.299376
H         2.847078   21.898137   24.258759
C        -4.220893   21.206367   30.856229
H        -5.298520   21.017214   30.901523
H        -4.013851   22.231952   31.188816
H        -3.901524   21.079137   29.813836
C        -1.549780   20.491609   31.573428
H        -1.379237   20.351318   30.496761
H        -1.387098   21.540474   31.850899
H        -0.849178   19.849095   32.114326
C         2.067400   14.209434   26.326195
H         2.290009   15.282020   26.265415
H         2.555909   13.808440   27.222204
H         2.446689   13.708126   25.426191
C        -0.352995   14.577140   24.817323
H        -0.007156   15.602575   24.635368
H         0.045737   13.907257   24.043789
H        -1.447826   14.561503   24.792116
C        -3.657269   12.227917   31.035516
H        -4.177604   13.166406   31.262864
H        -4.348433   11.515902   30.565621
H        -3.275120   11.806257   31.974425
C        -1.434551   10.887949   29.817884
H        -1.184543   10.592118   30.845652
H        -2.125924   10.151790   29.389736
H        -0.516294   10.923125   29.224222
C         0.487087   19.473604   25.333351
H         0.539857   20.324159   24.643004
H         1.355160   18.824237   25.184499
H        -0.429123   18.900885   25.134780
C        -1.150428   21.079040   27.013428
H        -1.021370   21.904053   26.300164
H        -1.979435   20.436457   26.689732
H        -1.394323   21.489009   27.998616
C         5.517645   19.851232   28.478983
H         6.300695   20.259860   27.826880
H         4.855480   20.655789   28.811176
H         5.979085   19.387316   29.360690
C         5.893152   17.304604   27.261021
H         6.311860   17.016458   28.233433
H         5.488386   16.402814   26.788424
H         6.688109   17.732240   26.635793
C         7.068508   16.056667   31.915735
H         6.911677   17.097299   32.217920
H         7.911886   15.636585   32.479910
H         7.300903   16.034610   30.843179
C         6.047735   13.427079   31.483868
H         6.238082   13.600532   30.416146
H         6.961195   13.050413   31.959296
H         5.246724   12.688618   31.585138
C         2.018705   13.107393   35.734812
H         2.270537   12.271628   36.400910
H         2.634708   13.976294   35.985018
H         0.960241   13.369114   35.859836
C         1.065752   11.226265   33.821363
H         1.061772   10.825905   32.801048
H         1.283327   10.424741   34.539464
H         0.071256   11.641472   34.028208
C        -0.640529   16.711664   36.289716
H        -0.979177   15.675680   36.417932
H         0.454434   16.730861   36.269920
H        -0.999652   17.320011   37.130530
C        -3.129211   17.247679   34.985636
H        -3.348693   16.185676   35.161397
H        -3.440101   17.837551   35.855941
H        -3.683208   17.564883   34.093845

181
Au9T-I8
C        -8.040744   17.525624   28.615945
C        -6.840093   17.199491   29.514082
C        -5.601593   18.047400   29.128318
C        -5.939968   19.558948   29.139578
C        -7.149083   19.868715   28.246596
C        -8.371543   19.023667   28.628580
H        -7.087868   17.412160   30.567996
H        -6.583814   16.131813   29.457840
H        -7.818574   17.209277   27.582339
H        -8.911618   16.937111   28.938891
H        -6.157350   19.851884   30.181220
H        -5.060466   20.139135   28.825266
H        -7.387028   20.940423   28.309903
H        -6.883169   19.672357   27.193798
H        -8.717154   19.313797   29.635974
H        -9.205158   19.233320   27.943741
H        -5.319662   17.773919   28.092359
C        -4.419759   17.719531   29.935168
C        -3.331516   17.358705   30.452905
Au       -4.265839   18.267985   32.215329
Au        1.220533   15.748644   30.634116
Au        1.834605   13.839866   32.621188
Au       -1.514345   16.443964   30.277779
Au       -0.303340   14.770520   28.416161
Au       -0.642919   13.667061   31.109055
Au        3.267956   17.024067   29.340943
Au       -0.266554   15.648984   33.023420
Au        0.580616   17.480712   28.533744
Au        3.639914   15.967031   31.890799
P         3.299336   12.370661   33.708448
P         0.158057   19.331070   27.167945
P        -1.850677   11.744308   30.527394
P        -0.273072   13.338500   26.572184
P        -1.308031   16.801684   34.770180
P         4.543422   18.161841   27.745892
P         5.534072   16.303382   33.239722
P        -5.323063   19.255482   34.028398
C         6.214389   13.857574   34.604183
C         6.666447   13.170956   35.743459
C         6.791985   13.802383   36.980906
C         6.461563   15.152104   37.097149
H         6.545045   15.662110   38.057416
C         6.052386   15.864085   35.968696
H         5.835943   16.924785   36.081654
C         5.943090   15.246898   34.706924
C         4.151190   16.870380   25.344011
H         4.792474   16.124069   25.812469
C         6.123743   13.064972   33.333107
C         7.364003   12.140792   31.432012
C         3.823168   18.050688   26.042521
C         7.310509   12.913131   32.590977
C         4.966717   12.367367   32.905176
C         5.029947   11.616197   31.713904
H         4.140727   11.100512   31.350457
C        -1.394192   18.625325   34.467740
C        -0.628824    8.686225   26.749404
C        -1.688758    9.471761   27.201607
C        -3.324484   19.170951   36.083655
C        -2.941081   19.047105   37.428914
C        -3.863766   18.726201   38.426484
C        -5.201326   18.526548   38.087767
H        -5.935297   18.275083   38.853749
C        -5.607944   18.673143   36.760603
H        -6.661032   18.528287   36.526433
C        -4.691071   19.004746   35.746399
C        -1.602761   10.873409   27.254097
C         1.457176   20.597773   26.788599
H         0.396524   22.138607   27.890297
C         2.130154   22.947625   26.941434
H        -0.727264    7.600617   26.720587
H        -2.613888    8.995369   27.529948
C         6.209383   11.498659   30.982976
H         6.229404   10.891358   30.077988
C         2.604808   20.331327   25.996630
C         3.443159   21.403117   25.643559
C        -2.087144   20.923089   34.837770
C        -2.269213   19.552303   35.090413
C        -2.812214   11.602176   27.760610
C        -3.020156   11.978091   29.111923
C        -4.227722   12.618291   29.457106
H        -4.392251   12.949540   30.482258
C        -5.238777   12.828854   28.523291
H        -6.171903   13.300831   28.831398
C        -5.059783   12.405594   27.205633
C        -3.856723   11.805945   26.838758
C         2.538316   18.741707   24.100654
C         2.966789   18.993579   25.418234
C         2.894646   17.581943   23.414592
H        -5.853302   12.532089   26.468665
H        -3.716158   11.460351   25.813547
C        -0.429074   11.502516   26.764292
C        -0.241683   20.472934   33.353380
H         0.545878   20.817184   32.682305
C         0.641798   10.694249   26.334526
H         1.561065   11.149104   25.970781
H         1.940471   23.951997   27.320833
C         0.551975    9.301750   26.336111
H         1.395453    8.704994   25.987920
H        -1.898892   19.231399   37.694616
H        -3.539085   18.642603   39.464102
C         3.699816   16.633672   24.047344
H         4.001368   15.725304   23.524916
C        -1.084226   21.386904   33.984954
H         4.293861   21.202670   24.990176
H         3.886139   23.508621   25.810205
C        -0.402179   19.108601   33.593277
H         0.254255   18.393352   33.092239
H        -0.960508   22.458763   33.825116
H        -2.730234   21.637544   35.353821
H         7.146489   13.242104   37.846542
C         1.258385   21.908169   27.267121
H         6.921536   12.114308   35.646285
H         8.215542   13.400747   32.956377
C         3.217060   22.699540   26.104646
H         8.304641   12.034588   30.890546
H         2.560655   17.430672   22.387686
H         1.931418   19.498182   23.600942
C        -7.074257   18.697313   34.059169
H        -7.135667   17.628191   34.294959
H        -7.671472   19.276236   34.775456
H        -7.485246   18.855743   33.054443
C        -5.485433   21.076524   33.815306
H        -6.060355   21.269182   32.899981
H        -6.009719   21.510806   34.676822
H        -4.495860   21.533508   33.712426
C         1.319108   13.590452   25.684430
H         1.399229   14.663371   25.468949
H         2.164914   13.310378   26.322979
H         1.351371   13.027649   24.742200
C        -1.505551   13.804210   25.285850
H        -1.304975   14.840186   24.983859
H        -1.415227   13.141295   24.414999
H        -2.519300   13.743552   25.694619
C        -2.927201   11.149074   31.900851
H        -3.587537   11.945146   32.259874
H        -3.528267   10.288941   31.577837
H        -2.271871   10.850724   32.729354
C        -0.771452   10.285070   30.246877
H        -0.236629   10.116727   31.191237
H        -1.359115    9.393367   29.997869
H        -0.041208   10.480194   29.455819
C        -0.579974   18.881606   25.540784
H        -0.844085   19.786443   24.977308
H         0.124109   18.278030   24.959331
H        -1.484196   18.290408   25.736313
C        -1.213582   20.274488   27.953153
H        -1.554206   21.103550   27.318801
H        -2.035016   19.563184   28.106188
H        -0.912640   20.649868   28.938001
C         4.861591   19.913038   28.201271
H         5.455113   20.424695   27.434055
H         3.924480   20.453398   28.366736
H         5.426670   19.891198   29.142634
C         6.258420   17.511633   27.548175
H         6.800173   17.728016   28.478005
H         6.259032   16.426500   27.402123
H         6.768636   17.999835   26.707105
C         5.440404   18.020762   33.899711
H         4.580175   18.134264   34.569936
H         6.363028   18.311859   34.418630
H         5.289998   18.683980   33.038302
C         7.090884   16.365359   32.253963
H         6.976305   17.150722   31.496103
H         7.946258   16.598324   32.901943
H         7.255889   15.407555   31.749758
C         3.415876   12.711638   35.509003
H         4.115631   12.025997   36.001351
H         3.719913   13.746078   35.695685
H         2.407766   12.557588   35.916835
C         2.791014   10.598316   33.701162
H         2.614650   10.240017   32.681872
H         3.558966    9.975786   34.179319
H         1.852072   10.519213   34.264390
C        -0.418868   16.618340   36.372076
H        -0.285783   15.548407   36.578305
H         0.567320   17.091351   36.295488
H        -0.988629   17.078721   37.188941
C        -2.967678   16.091599   35.104353
H        -2.834990   15.006615   35.212909
H        -3.418863   16.498239   36.016196
H        -3.621804   16.280749   34.242215

181
Au9T-I9
C        -7.143286   16.713164   27.646519
C        -6.346124   17.049077   28.914640
C        -4.831800   16.755491   28.718939
C        -4.288698   17.498295   27.474342
C        -5.102258   17.156431   26.218178
C        -6.596462   17.445756   26.415221
H        -6.464089   18.116796   29.159211
H        -6.721325   16.480123   29.776456
H        -7.106860   15.624474   27.469551
H        -8.201275   16.966735   27.805704
H        -4.346240   18.582792   27.669189
H        -3.225295   17.243819   27.341805
H        -4.714449   17.722129   25.357837
H        -4.966155   16.087969   25.976668
H        -6.745092   18.531822   26.539259
H        -7.161605   17.156025   25.518156
H        -4.715317   15.669982   28.546700
C        -4.108171   17.108960   29.947660
C        -3.760539   17.551368   31.070713
Au       -4.110222   18.568330   32.781885
Au        0.855708   15.885011   30.685057
Au        1.550715   13.940991   32.607176
Au       -1.891878   16.519628   30.379578
Au       -0.654748   14.914200   28.468027
Au       -0.983741   13.801438   31.213761
Au        2.839760   17.060021   29.237944
Au       -0.523654   15.764492   33.134699
Au        0.111637   17.670650   28.646215
Au        3.350407   16.042978   31.789763
P         3.039596   12.432925   33.591532
P        -0.202854   19.709906   27.539448
P        -2.132568   11.834779   30.661221
P        -0.591988   13.433893   26.662436
P        -1.270765   16.940597   35.022843
P         4.114090   18.095940   27.579291
P         5.295442   16.342884   33.072856
P        -4.946368   19.803246   34.572224
C         5.987695   13.885571   34.411526
C         6.466116   13.192410   35.535992
C         6.623237   13.817501   36.772962
C         6.299107   15.167266   36.903568
H         6.407037   15.672395   37.863940
C         5.866689   15.886222   35.788137
H         5.658153   16.947365   35.911022
C         5.725410   15.275578   34.526474
C         3.413291   17.161380   25.070776
H         4.033138   16.315315   25.364881
C         5.857775   13.098228   33.140652
C         7.039595   12.166086   31.206700
C         3.254519   18.254776   25.946483
C         7.025030   12.931023   32.371847
C         4.680185   12.421634   32.735030
C         4.703674   11.678907   31.537257
H         3.798867   11.178888   31.191261
C        -1.147943   18.774182   34.810308
C        -0.688501    8.776140   26.965786
C        -1.794746    9.511256   27.390495
C        -2.909941   19.473473   36.558757
C        -2.492138   19.265692   37.882917
C        -3.408875   19.027312   38.908967
C        -4.772705   19.002477   38.620940
H        -5.501940   18.819921   39.410356
C        -5.209160   19.232764   37.314963
H        -6.280062   19.222490   37.118987
C        -4.298136   19.479168   36.272497
C        -1.789614   10.916681   27.409020
C         1.205042   20.875392   27.229776
H         0.397071   22.342654   28.609770
C         2.133167   23.106544   27.628370
H        -0.725673    7.686257   26.962678
H        -2.694241    8.990979   27.723044
C         5.864116   11.548128   30.778447
H         5.853884   10.947133   29.868975
C         2.257659   20.611990   26.314690
C         3.176113   21.638450   26.031665
C        -1.507866   21.114190   35.341509
C        -1.857950   19.766284   35.532543
C        -3.046704   11.582416   27.887214
C        -3.296877   11.969088   29.228824
C        -4.550461   12.530944   29.547335
H        -4.753280   12.862798   30.565269
C        -5.562396   12.653558   28.598398
H        -6.531040   13.061294   28.888720
C        -5.337586   12.219343   27.291162
C        -4.091575   11.697070   26.950224
C         1.866723   19.302337   24.250509
C         2.434262   19.338461   25.537576
C         2.048637   18.220704   23.390163
H        -6.129576   12.273375   26.543352
H        -3.916121   11.340505   25.934257
C        -0.649635   11.599083   26.910414
C         0.176505   20.518849   33.723039
H         0.962063   20.798024   33.019925
C         0.469192   10.842094   26.509702
H         1.363670   11.339279   26.140110
H         2.079387   24.062434   28.150287
C         0.459151    9.447385   26.546158
H         1.337688    8.891201   26.218282
H        -1.425880   19.315246   38.109793
H        -3.057656   18.873625   39.929685
C         2.821562   17.137756   23.809172
H         2.991837   16.289182   23.145584
C        -0.499702   21.494608   34.454782
H         3.950554   21.450176   25.286586
H         3.850376   23.649436   26.430290
C        -0.151228   19.175565   33.900292
H         0.374836   18.413178   33.320721
H        -0.244202   22.548945   34.343374
H        -2.027088   21.873459   35.928210
H         6.996436   13.251919   37.627194
C         1.182441   22.119974   27.890307
H         6.714660   12.135346   35.428001
H         7.945918   13.401011   32.720240
C         3.122954   22.874656   26.674420
H         7.966208   12.046872   30.644102
H         1.606597   18.235624   22.393325
H         1.291296   20.165968   23.914515
C        -6.759877   19.523026   34.666742
H        -6.977662   18.478431   34.918702
H        -7.237511   20.193544   35.392258
H        -7.172329   19.730662   33.671238
C        -4.835774   21.622103   34.309088
H        -5.400553   21.870801   33.401177
H        -5.266034   22.155479   35.166520
H        -3.792423   21.921533   34.169418
C         0.977530   13.742737   25.752124
H         0.993486   14.810580   25.499364
H         1.841930   13.533961   26.393076
H         1.034543   13.149710   24.829826
C        -1.854622   13.802874   25.375029
H        -1.710569   14.840982   25.049061
H        -1.731698   13.126004   24.519001
H        -2.861892   13.695946   25.789587
C        -3.197710   11.262529   32.053212
H        -3.869562   12.058057   32.391846
H        -3.784297   10.382328   31.759045
H        -2.534352   11.001523   32.887948
C        -1.008621   10.398560   30.442220
H        -0.478531   10.280152   31.396670
H        -1.568326    9.481633   30.220689
H        -0.277169   10.586933   29.650747
C        -1.086666   19.565247   25.929864
H        -1.256237   20.561248   25.499733
H        -0.509980   18.953026   25.229538
H        -2.050885   19.077796   26.122756
C        -1.409821   20.673438   28.541052
H        -1.688128   21.614631   28.048785
H        -2.299914   20.040999   28.652478
H        -1.014044   20.871862   29.543600
C         4.785773   19.725041   28.103224
H         5.368648   20.193834   27.300803
H         3.983534   20.397491   28.420792
H         5.442698   19.529239   28.961282
C         5.659505   17.166863   27.193093
H         6.297297   17.215897   28.084799
H         5.450571   16.111176   26.990093
H         6.189033   17.613412   26.340920
C         5.255073   18.059721   33.738827
H         4.414450   18.190815   34.430198
H         6.196545   18.328905   34.235388
H         5.098086   18.728433   32.882970
C         6.826311   16.378285   32.046128
H         6.708893   17.170462   31.295831
H         7.702578   16.590805   32.672908
H         6.959275   15.420148   31.533496
C         3.223761   12.717871   35.396347
H         3.930521   12.008187   35.842777
H         3.548522   13.741953   35.603459
H         2.228262   12.564021   35.834158
C         2.499909   10.670315   33.553476
H         2.281272   10.342499   32.532118
H         3.273361   10.022353   33.986928
H         1.580872   10.592067   34.148555
C        -0.235077   16.579349   36.503026
H        -0.229712   15.495090   36.673539
H         0.791424   16.918386   36.322210
H        -0.640439   17.084866   37.388915
C        -2.947407   16.397141   35.534349
H        -2.912367   15.302002   35.611511
H        -3.246273   16.823991   36.497896
H        -3.670579   16.672614   34.754840

181
Au9T-TS10-11
Au        2.941842    1.960711   44.197421
Au        5.679472    2.623547   45.018805
Au        3.650709    4.482674   45.217458
Au        5.833726    4.790621   43.344179
Au        6.297737    1.245768   47.443242
C         9.845851   -1.555171   43.514900
Au        7.789229    0.895287   45.000895
Au        3.548705    2.210115   46.903580
Au        4.974153   -0.049768   45.369645
Au        8.127024    3.754443   44.550206
P         5.444251    6.227176   41.533974
P         7.254164    1.386566   49.584319
P         3.982957   -2.022118   44.557345
P         9.841315    0.152358   44.203809
P         3.285920    7.333972   45.305153
P         1.517637    1.167398   42.490836
P         2.810207    2.070835   49.121270
P        10.243851    4.706787   44.831927
C         5.151915    1.593243   51.539627
C         3.107769    7.906199   41.951344
H         4.208873   -2.941007   51.568422
C         3.986988   -1.978935   51.105867
C         4.680115   -0.837504   51.503073
C         4.412831    0.429438   50.948662
C         3.381144    0.540434   49.985118
C         2.706901   -0.627960   49.575220
H         1.927033   -0.560255   48.815424
C         2.996287   -1.872581   50.127878
H         2.435509   -2.753773   49.814656
H         9.665132   -2.250914   44.344520
H         9.051587   -1.687171   42.773226
H        10.817374   -1.778209   43.053803
C         1.775751    8.242104   41.651478
H         5.435998   -0.911021   52.286457
C         1.019707    7.519260   40.731254
C         1.602698    6.438057   40.070528
C         3.706707    6.815737   41.268798
H        13.649918    1.318443   43.361225
C         3.832662    8.850445   42.864682
C         5.161875   10.852696   44.347779
H        12.253892    3.833168   41.670148
H         5.681872   11.612889   44.931017
H        -0.907103   -1.950857   43.184421
H        -1.681745   -2.353404   45.504572
C         5.013499   10.995393   42.967590
C         4.355408   10.002533   42.246085
C         6.948755    3.225227   51.685216
H         7.867025    3.668215   51.305371
C         1.852127   -2.820194   40.071897
C         1.562979   -2.869704   41.435367
C         1.525332   -1.709643   42.227327
C         1.726184   -0.450133   41.605960
C         2.036967   -0.419708   40.231833
H         2.206212    0.529272   39.727229
C         2.108472   -1.588049   39.472075
H         2.338156   -1.527464   38.407853
H         3.719329    1.685122   53.141774
H         4.804328    3.590193   54.305487
C        11.770819    3.669468   44.971682
C        12.658493    3.926191   46.034425
H        12.411243    4.674607   46.785163
C        13.877951    3.257058   46.143634
H        14.547853    3.485088   46.973309
C        14.243090    2.324090   45.173606
C        13.365920    2.043812   44.125662
C        12.116245    2.677657   44.019762
H         1.360213   -3.831118   41.910465
C         1.187335   -1.893745   43.676136
C         2.139856   -2.057029   44.711090
C         1.679818   -2.262214   46.028528
H         2.400552   -2.363843   46.840885
C         0.322399   -2.358436   46.324222
H        -0.002777   -2.541815   47.348776
C        -0.616363   -2.250916   45.296330
C        -0.179048   -2.021665   43.993964
C         9.689950    0.953417   41.582709
H         8.965331    0.139984   41.536802
C        10.358390    1.231126   42.792047
C        11.270950    2.315755   42.834396
C        11.508367    3.036615   41.649225
C        10.854412    2.735513   40.455808
C         9.933013    1.688329   40.424758
H         9.417142    1.430067   39.499583
H        11.078722    3.304950   39.552966
C         6.391888    3.761960   52.846558
H         6.877746    4.604632   53.339765
H        15.207850    1.818773   45.228045
H         3.367572    5.267734   39.787025
H         1.873223   -3.738120   39.483880
C         3.938383    8.732913   44.272327
C         4.632570    9.733917   44.985922
H         4.772338    9.640081   46.061391
H         1.337582    9.108469   42.149588
H        -0.008371    7.813415   40.518624
C         5.234077    3.200088   53.382142
C         4.626863    2.128209   52.728012
H         5.405322   11.873624   42.453495
H         4.231808   10.109883   41.167517
H         1.038742    5.877426   39.324443
C         2.927759    6.096356   40.339511
C         6.361176    2.127365   51.026447
C         7.865399   -0.245124   50.178025
H         8.368923   -0.129490   51.147076
H         7.030534   -0.946470   50.276084
H         8.573105   -0.638502   49.436891
C         8.807899    2.360744   49.433139
H         9.401949    1.891758   48.639213
H         8.583377    3.391396   49.133243
H         9.384679    2.352417   50.367146
C         0.974307    2.020075   49.263706
H         0.582822    2.962798   48.859137
H         0.553743    1.196520   48.677616
H         0.672646    1.916916   50.314389
C         3.225881    3.588653   50.064529
H         2.735567    4.417234   49.535901
H         2.851324    3.538670   51.093772
H         4.305232    3.768651   50.069179
C         4.533052   -3.528947   45.465296
H         5.615823   -3.633338   45.317885
H         4.341003   -3.437579   46.539303
H         4.020929   -4.418451   45.074661
C         4.525177   -2.398299   42.844287
H         4.102662   -3.344904   42.487307
H         4.256196   -1.589686   42.157607
H         5.619572   -2.479722   42.883922
C        -0.248969    1.231386   43.008570
H        -0.897247    0.958846   42.164977
H        -0.429877    0.552646   43.847508
H        -0.470843    2.258152   43.327167
C         1.550495    2.430256   41.151771
H         1.303080    3.393664   41.614239
H         2.554158    2.509147   40.718968
H         0.815731    2.205183   40.367513
C         5.871933    5.309489   39.994200
H         6.948576    5.101556   40.040793
H         5.350410    4.347048   39.952590
H         5.651159    5.898903   39.094360
C         6.578635    7.670952   41.431013
H         6.521622    8.281950   42.336113
H         7.595938    7.268649   41.335551
H         6.346538    8.284268   40.550664
C         2.778162    8.103903   46.902822
H         2.270919    7.332498   47.496015
H         3.648032    8.452636   47.470423
H         2.087563    8.937894   46.716269
C         1.625536    6.866904   44.642010
H         1.168469    6.191197   45.377653
H         0.999372    7.763731   44.533404
H         1.705952    6.354579   43.679972
C        10.200382    5.724158   46.356420
H        10.137354    5.078444   47.240302
H        11.079313    6.377837   46.432428
H         9.287584    6.336870   46.325870
C        10.630331    5.952146   43.529427
H         9.855303    6.728956   43.570483
H        11.614371    6.403327   43.713009
H        10.616765    5.481589   42.540623
C        11.143440    0.047511   45.491665
H        12.097438   -0.279526   45.060645
H        11.280339    1.010452   45.993008
H        10.800355   -0.696921   46.222922
C         7.791137   10.475422   50.606851
C         7.169294    9.437423   49.665010
C         8.177441    8.968482   48.580883
C         9.474707    8.440098   49.242417
C        10.086925    9.493082   50.176816
C         9.086414    9.956812   51.244404
H         6.845865    8.551909   50.237284
H         6.272009    9.844712   49.175576
H         8.004191   11.398868   50.041885
H         7.062549   10.748932   51.384442
H         9.229239    7.527943   49.812464
H        10.194402    8.150809   48.462008
H        10.992946    9.087279   50.650759
H        10.411550   10.361703   49.579184
H         8.849818    9.111722   51.914400
H         9.537681   10.736439   51.874157
H         8.455604    9.853075   47.976852
C         7.543508    8.001549   47.686736
C         6.930339    7.215926   46.964913
Au        5.419407    6.432101   45.948457

181
Au9T-TS3-13
Au        2.830350    1.599876   44.087570
Au        5.225053    2.969258   44.875715
Au        2.882405    4.436644   44.486020
Au        5.340997    5.157940   43.242161
Au        6.216886    2.058610   47.416991
C         9.500245   -1.240023   43.668305
Au        7.521776    1.318263   45.043017
Au        3.150036    2.523458   46.694065
Au        4.834205    0.322918   45.673811
Au        7.642929    4.147050   44.567448
P         5.229172    6.755663   41.531628
P         7.005840    2.010337   49.611857
P         4.373872   -2.278017   45.376939
P         9.574528    0.484060   44.302863
P         1.420488    6.209420   44.059966
P         1.911166    0.544889   42.186887
P         2.768528    3.152809   48.921438
P         9.750166    5.137428   44.667341
C         5.042855    2.967828   51.503069
C         2.645437    8.066862   41.501283
H         3.283415   -1.140972   52.691154
C         3.253452   -0.328055   51.964991
C         4.112406    0.759245   52.101356
C         4.101872    1.840891   51.197087
C         3.156972    1.823589   50.143853
C         2.319272    0.697992   49.997954
H         1.611211    0.665755   49.166981
C         2.357840   -0.366016   50.893705
H         1.680898   -1.212008   50.770713
H         9.229032   -1.872486   44.525431
H         8.732585   -1.351571   42.895716
H        10.475982   -1.548010   43.269252
C         1.519858    8.529613   40.798069
H         4.816169    0.789315   52.934362
C         1.281971    8.175742   39.470281
C         2.183803    7.339411   38.813820
C         3.600856    7.274568   40.810447
H        13.394092    1.716396   44.058373
C         2.785962    8.535732   42.920665
C         3.051442    9.673451   45.494212
H        12.323585    4.046037   41.961526
H         3.151130   10.100016   46.492650
H        -0.458355   -1.732057   43.810509
H        -1.256859   -1.310267   46.117332
C         3.490881   10.379824   44.374402
C         3.356683    9.808432   43.110151
C         7.113658    4.229246   51.310236
H         8.092992    4.388954   50.862709
C         2.229460   -4.013414   41.264512
C         1.976685   -3.591252   42.570037
C         1.948410   -2.228620   42.911792
C         2.128173   -1.267118   41.887345
C         2.400964   -1.707537   40.577947
H         2.558871   -0.987839   39.776315
C         2.460784   -3.066207   40.267104
H         2.666731   -3.379136   39.243063
H         3.693922    3.681306   53.019092
H         5.132602    5.573599   53.731343
C        11.244924    4.142210   45.125044
C        11.939267    4.503981   46.296740
H        11.566514    5.307240   46.929319
C        13.129549    3.876624   46.665618
H        13.649089    4.191159   47.571070
C        13.662563    2.877236   45.853155
C        12.976723    2.492732   44.701419
C        11.756105    3.082465   44.330037
H         1.785244   -4.330705   43.349291
C         1.621970   -1.881922   44.334240
C         2.548568   -1.881452   45.407003
C         2.078481   -1.627492   46.712276
H         2.788107   -1.603799   47.542540
C         0.727473   -1.419846   46.976269
H         0.388246   -1.262856   48.000267
C        -0.191774   -1.444268   45.926383
C         0.260899   -1.668927   44.628449
C         9.854507    1.103918   41.630779
H         9.173559    0.261522   41.513876
C        10.284022    1.485886   42.918115
C        11.150687    2.602573   43.041626
C        11.602116    3.233124   41.867007
C        11.184526    2.827594   40.600007
C        10.292856    1.761415   40.483593
H         9.957327    1.423335   39.502513
H        11.567912    3.330618   39.711715
C         6.693126    5.110273   52.306766
H         7.339287    5.934890   52.608864
H        14.610320    2.402387   46.108398
H         4.039723    6.289661   38.925875
H         2.242391   -5.078057   41.028287
C         2.279364    7.848827   44.053650
C         2.452203    8.427224   45.327913
H         2.095359    7.904378   46.214719
H         0.817981    9.185136   41.316116
H         0.399878    8.554373   38.953270
C         5.462008    4.911194   52.930233
C         4.654699    3.846859   52.528642
H         3.927031   11.373491   44.481586
H         3.685620   10.363277   42.230491
H         2.014741    7.045808   37.777432
C         3.332466    6.906464   39.476840
C         6.317279    3.140680   50.903042
C         6.964113    0.296851   50.270142
H         7.442904    0.261576   51.257940
H         5.933812   -0.062676   50.345343
H         7.510208   -0.344800   49.563549
C         8.811712    2.358236   49.577017
H         9.265088    1.588456   48.940041
H         9.019868    3.337923   49.133888
H         9.246067    2.297159   50.583890
C         1.018652    3.577924   49.311053
H         0.708577    4.406803   48.662023
H         0.363088    2.721475   49.119796
H         0.925304    3.877581   50.363361
C         3.653785    4.712893   49.302968
H         3.274629    5.463721   48.596984
H         3.465741    5.044621   50.330645
H         4.729907    4.594399   49.140879
C         4.329958   -3.920893   46.238924
H         5.321340   -4.386444   46.184268
H         4.063126   -3.784990   47.293258
H         3.577670   -4.558032   45.753333
C         4.961571   -2.702022   43.691167
H         4.423740   -3.565887   43.287342
H         4.853404   -1.847582   43.014710
H         6.026469   -2.947851   43.793413
C         0.095979    0.831113   42.031918
H        -0.290482    0.335086   41.131763
H        -0.422599    0.447422   42.916793
H        -0.080406    1.912258   41.961384
C         2.569253    1.375084   40.680187
H         2.461401    2.456033   40.833775
H         3.634708    1.147543   40.556227
H         2.015730    1.088115   39.776847
C         6.195029    6.107604   40.103494
H         7.210021    5.912264   40.471627
H         5.779431    5.158802   39.745388
H         6.241952    6.833971   39.281150
C         6.135050    8.314166   41.912225
H         5.726485    8.787944   42.809994
H         7.185171    8.051698   42.093808
H         6.074396    9.008399   41.063666
C         0.063369    6.409929   45.291232
H        -0.559068    5.507036   45.246469
H         0.455911    6.505644   46.308460
H        -0.547540    7.290534   45.051303
C         0.464534    5.967560   42.509852
H        -0.147960    5.068480   42.661726
H        -0.193589    6.822505   42.311915
H         1.129075    5.808761   41.655393
C         9.673265    6.497476   45.907100
H         9.441973    6.107071   46.904522
H        10.605682    7.076297   45.935380
H         8.850248    7.156557   45.602914
C        10.209788    6.060913   43.141061
H         9.455058    6.842269   42.984769
H        11.197581    6.525698   43.260364
H        10.217495    5.389714   42.276777
C        10.752961    0.317341   45.696278
H        11.722937   -0.059682   45.348503
H        10.890178    1.271009   46.214235
H        10.296645   -0.413970   46.380395
C        10.914626   -6.084045   48.931369
C         9.827164   -5.212752   48.289866
C        10.167898   -3.702095   48.415431
C        11.566266   -3.410977   47.813745
C        12.644057   -4.292637   48.461280
C        12.301718   -5.784189   48.348209
H         9.731330   -5.456942   47.218760
H         8.847884   -5.404793   48.751198
H        10.927613   -5.906560   50.020427
H        10.662104   -7.145432   48.793192
H        11.526383   -3.606492   46.728700
H        11.809844   -2.345255   47.943278
H        13.619101   -4.087138   47.995289
H        12.744052   -4.019896   49.525924
H        12.324264   -6.083764   47.286153
H        13.065938   -6.387556   48.858388
H        10.213346   -3.462137   49.494788
C         9.108431   -2.887802   47.822676
C         8.169971   -2.272113   47.320228
Au        6.498829   -1.594223   46.521879

161
Au9T
Au        4.213163   15.464569   30.137540
Au        4.094629   12.684587   30.644724
Au        1.777610   16.850895   30.638963
Au        2.608056   16.424557   28.001823
Au        1.782907   14.061446   29.614434
Au        6.548895   16.791460   29.687545
Au        2.600390   14.470784   32.258358
Au        4.079759   18.242770   29.612263
Au        6.553295   14.159726   30.629115
P         4.571508   10.391715   30.681519
P         4.609237   20.524686   29.499072
P         0.113931   13.303178   28.134809
P         2.491603   16.293544   25.666259
P         2.427073   14.517180   34.592574
P         8.394783   18.178664   29.276900
P         8.357797   12.721481   31.037897
P         0.151284   17.627116   32.155935
H         4.236504   16.526600   23.935447
C        -0.793703   16.293845   33.026998
C         2.052112   13.112068   23.076185
C        -0.550097   15.082257   25.901057
C        -0.783842   14.645710   27.229414
C         5.780711   21.437241   31.830707
C         0.696598   18.033477   37.123015
C         3.179793    9.407216   29.977177
C         1.676380   17.761959   24.910227
H         1.719565   17.696475   23.815288
H         0.633750   17.826947   25.236717
H         2.209333   18.659663   25.247570
C         8.329419   21.895989   30.855864
C         8.025119   22.247214   32.169076
H         2.304305    9.580052   30.616479
H         2.935276    9.739351   28.962839
C         6.747063   21.990168   32.667807
H         6.493030   22.244268   33.697341
C         6.824377    8.887108   27.605477
C         0.709726   12.018031   26.964931
H         1.056793   11.181170   27.584370
H        -0.096996   11.671309   26.308407
C         7.753051    9.943019   31.689069
C         7.808954    8.876622   32.604890
C         8.155463    9.068877   33.941000
C         8.452805   10.355094   34.391991
H         8.715786   10.529282   35.435860
C         8.455979   11.418128   33.490285
H         8.737214   12.403805   33.858919
C         8.143213   11.235455   32.127147
H         5.388446   10.259962   32.993943
C         8.615001   19.498950   26.836315
H         8.910878   18.516215   26.471943
H        10.085367   14.396040   31.115841
H         1.647449   18.402543   33.941300
C         2.031253   17.649470   37.249324
H         6.611939    8.626143   26.568457
H         3.498305   22.655185   30.022432
C         7.383247   21.291968   30.006887
C        -2.361726   16.718136   26.132468
C        -1.367236   16.101692   25.375364
C        -0.107974   17.414075   36.166494
H         9.490507   13.084536   28.955982
H         4.815915   15.578382   25.352782
H        -0.775905   11.484348   29.448306
H         4.766901   15.137352   34.981327
H         4.114075   14.183841   36.362354
C         1.549302   13.045898   35.267915
C         0.389279   16.407434   35.321877
H         1.550343   13.074183   36.365968
H         0.519822   13.015815   34.897124
H        -1.152510   13.169381   24.205758
H         0.275491   11.997179   22.548220
H        -1.225825   16.391804   24.333148
H        -2.986039   17.493403   25.687018
C         7.354227    9.602288   30.284568
C         8.078756    8.625938   28.158616
H         8.489953   19.249485   31.481887
H         9.496564   17.784505   31.373000
H        -1.930097   18.927254   32.034702
C         8.338442   21.852546   26.391821
C         6.060651   21.113456   30.486840
C         3.221621   21.593298   30.077389
C         9.743218   17.197958   28.487652
C         9.746059   13.639752   31.835015
H         2.365904   21.401175   29.417715
H         0.280774   18.810492   37.765278
H        -3.086937   13.468714   34.477710
H        -1.300853   14.476909   35.869149
H        -1.152731   17.711636   36.062560
H         3.422310    8.336352   29.965606
C        -0.097442   13.432899   24.115334
C         0.415885   14.439352   24.950606
C         2.533560   16.621531   36.450378
H         3.568517   16.317867   36.594130
H         2.677581   18.127370   37.985796
H         4.780436   21.277795   32.231992
H         9.312075    8.791186   29.915949
H         8.857835    8.147693   27.564552
H         8.192222    8.219544   34.623648
H         7.565709    7.874584   32.248245
H         4.642888   17.342124   25.474227
C         4.123740   14.297756   35.270551
C        -1.219783   12.397268   29.030521
H        -1.609997   12.991362   29.863808
H        -2.036481   12.130283   28.347335
H         1.546525   12.385529   26.362571
H         2.696228   12.601426   22.359880
C         0.704034   12.771957   23.184607
C         4.634473    9.737458   32.398839
H         3.643665    9.915065   32.837882
H         4.844254    8.660179   32.401113
C         8.244561   19.671371   28.185901
C         8.330167    8.984054   29.481249
C         6.053446    9.786855   29.748321
C         5.826390    9.450660   28.397693
H         4.843918    9.608841   27.953987
C         1.726617   15.970133   35.497073
H         2.075657   12.147422   34.922004
C         9.193139   18.700668   30.849289
C        -1.779253   15.295537   27.987574
H        -1.964623   14.978956   29.013900
H         9.392566   16.696241   27.579329
C         7.937205   22.035213   27.713988
H         9.330094   22.083489   30.464157
H         8.781585   22.716962   32.798132
C         0.832429   18.839006   33.356228
H         1.232162   19.667563   32.755373
H         0.053437   19.220316   34.027637
C         7.839512   20.961826   28.617411
C        -1.152985   18.626628   31.319380
C         8.652082   20.569376   25.943769
H         8.958924   20.402355   24.911102
H         4.529479   13.383448   34.819724
C        -2.561730   16.316899   27.454071
H        -3.343977   16.778426   28.058139
H         3.808917   20.907729   27.277631
H         9.413899   14.159189   32.740295
H        10.078465   19.319480   30.652776
H         2.928025   21.344536   31.102422
H         8.405066   22.707281   25.718114
H         7.682488   23.035216   28.068106
H        -0.669290   19.519868   30.901608
H        -1.606621   18.071730   30.491097
C         1.768820   14.832376   24.791488
C         2.572173   14.138635   23.865397
C         4.781932   21.082090   27.755724
H         5.024644   22.151167   27.704067
H         5.546728   20.503605   27.229096
H        10.611279   17.828979   28.255445
H        10.037152   16.424387   29.208675
H        10.579025   12.966471   32.075167
H         3.618340   14.408123   23.734042
C        -0.581166   15.813624   34.343803
C        -1.428996   14.801583   34.835417
C        -2.438338   14.238399   34.057539
C        -2.622696   14.686890   32.748621
H        -3.419128   14.271070   32.130659
C        -1.806157   15.697887   32.247429
H        -1.977484   16.049872   31.230197
C         4.213307   16.435582   25.029537
C         9.134760   12.177763   29.462283
H         9.983550   11.508707   29.651901
H         8.405475   11.679797   28.816862

