142
symmetry c1
Au       3.116553239      7.641155589      8.632021663
Ru       2.040278158      8.880177683      6.472386496
Cl       4.806047371      6.021138461      7.764364595
P        0.311314023      7.303693564      6.706596515
P        3.419733262     10.676233820      7.120132549
O       -0.364110027      7.531758581      8.242431635
O        2.920968227     11.163779859      8.662233667
O        3.936657301      7.372971565      4.548784349
O        0.665082053     10.425247803      4.281367330
C       -0.031487004      8.705434671      8.886133684
C        1.724999132     10.644916819      9.111456700
C        3.270626253      7.889273609      5.313952409
C        1.197231093      9.829958757      5.104364394
C        0.519220038      5.450506419      6.712133514
H       -0.448764035      5.076769393      6.361236488
C        0.778300060      4.885443374      8.100265622
H       -0.027502003      5.113667393      8.796893677
H        1.711002129      5.272955407      8.517877654
H        0.880079070      3.799284295      8.023968619
C        1.600606124      5.019378385      5.727950441
H        2.591456200      5.286151405      6.099881469
H        1.474229114      5.454877417      4.734685364
H        1.571572121      3.932015300      5.617079431
C       -1.173994089      7.576913582      5.618400432
H       -1.284290101      8.666100667      5.624559430
C       -2.457312191      6.962313536      6.160129474
H       -2.665758205      7.289078561      7.178939551
H       -2.424525184      5.869672454      6.150779473
H       -3.296147255      7.264549561      5.526845423
C       -0.884523068      7.125333546      4.190701323
H       -0.823959066      6.036235464      4.121799318
H        0.044556005      7.544089580      3.797544291
H       -1.695156128      7.449441573      3.533326271
C        5.265657408     10.585364815      7.383645568
H        5.614896432     11.597277892      7.151883549
C        5.645033436     10.266652788      8.822526679
H        5.275741404      9.284352714      9.129213703
H        5.259881406     11.004800847      9.524750730
H        6.735714520     10.247206789      8.899664682
C        5.909544456      9.609621739      6.406267492
H        5.631711436      9.801400754      5.367717411
H        5.641616432      8.579620658      6.649623509
H        6.997388537      9.694878745      6.477026497
C        3.188776244     12.254274942      6.161822476
H        2.103406163     12.301382947      6.024822466
C        3.631692278     13.501920037      6.913622530
H        4.715050364     13.531539040      7.056657542
H        3.155621241     13.576764047      7.891356609
H        3.359303258     14.387788105      6.333050486
C        3.849099295     12.148253937      4.791180369
H        3.547559271     11.249465864      4.248645327
H        4.939210381     12.147671932      4.872550373
H        3.568017274     13.010510999      4.181456321
B        0.807501061      9.832995758      7.940200611
B        1.637715128      8.937519689      9.207404706
B        0.295517024     11.407331878      8.570274658
H        0.393000030     12.373882950      7.889982606
B       -0.873812066     10.117461778      8.421253645
H       -1.741213133     10.021013768      7.618426585
B        1.657740127      9.944452764     10.667570818
H        2.622387203      9.957736764     11.352259872
B        0.834033066     11.477740885     10.269435790
H        1.261675097     12.492857961     10.703759821
B       -0.858956065     11.118849853      9.871302762
H       -1.734755134     11.884233913     10.107540779
B       -1.080542085      9.363162721     10.023764770
H       -2.087639162      8.793285678     10.275116788
B        0.476381039      8.638921663     10.514796807
H        0.484916038      7.598180586     11.077741851
B       -0.020432999     10.209151785     11.164375861
H       -0.312517023     10.340627794     12.306976948
Au       5.587364429      5.020241388     10.067500773
Ru       6.749296521      3.863540299     12.227210939
Cl       4.060132314      6.793002524     10.936067840
P        8.620898664      5.149057397     11.601409894
P        5.082161392      2.225503171     11.968373921
O        9.091281701      4.635830355     10.058550771
O        5.286227406      1.547137118     10.430530801
O        5.334932409      5.826933448     14.154016091
O        8.198914633      2.387390181     14.417857110
C        8.513043657      3.471939265      9.597790738
C        6.480660500      1.820715141      9.797330752
C        5.819022449      5.138392396     13.387708029
C        7.640732586      2.958680229     13.595098043
C        8.634527666      6.999121539     11.352458875
H        9.664419741      7.287236559     11.589046890
C        8.342123644      7.410131572      9.916635763
H        9.054508698      6.983927538      9.211492706
H        7.337922563      7.109053546      9.606279741
H        8.394124643      8.500425653      9.848986759
C        7.695640594      7.689961591     12.334018948
H        6.652109510      7.490723579     12.082457927
H        7.864157603      7.387562570     13.369726030
H        7.849243604      8.771159676     12.277924943
C       10.177977784      4.823544368     12.566822965
H       10.164824782      3.735777289     12.691962975
C       11.453071880      5.205226403     11.827478907
H       11.507577888      4.737758365     10.844247835
H       11.544130886      6.286924481     11.698375899
H       12.318658949      4.876683374     12.409578956
C       10.100095779      5.473716418     13.944155073
H       10.160228782      6.563011503     13.874969069
H        9.182725705      5.216366399     14.478236112
H       10.941765841      5.138802397     14.555456117
C        3.243503247      2.537172193     11.948764920
H        2.812938215      1.590316124     12.291969947
C        2.705460210      2.833394218     10.557401814
H        3.147905244      3.744640288     10.146994779
H        2.893987225      2.018942155      9.858942758
H        1.626097127      2.995502228     10.625397815
C        2.865422221      3.636324277     12.935013996
H        3.284241254      3.480351268     13.931268072
H        3.191082245      4.612344357     12.570930968
H        1.777203134      3.668282281     13.036346004
C        5.260414404      0.720217057     13.049023006
H        6.341359489      0.546845043     13.052222004
C        4.577542354     -0.521938041     12.493197962
H        3.488626266     -0.425516035     12.492203961
H        4.901667377     -0.743270055     11.476256881
H        4.824052373     -1.380619109     13.124022012
C        4.813160371      1.026405078     14.474650111
H        5.281567407      1.927068147     14.877809143
H        3.728838288      1.149823087     14.534390116
H        5.083530389      0.194148015     15.129294164
B        7.644994590      2.591230199     10.757125828
B        6.804493523      3.476878267      9.489601730
B        7.842023605      0.900472069     10.265778789
H        7.693046594      0.034283002     11.061815849
B        9.193952708      1.999812154     10.133925779
H       10.159163781      2.041418154     10.821725834
B        6.453276498      2.342448179      8.171848630
H        5.418524417      2.410830188      7.602001585
B        7.089219543      0.745718056      8.656773664
H        6.468065499     -0.227638019      8.394206645
B        8.853238682      0.871457068      8.822745679
H        9.572147734     -0.042567002      8.585313658
B        9.305252717      2.545481196      8.439291647
H       10.344943795      2.920872223      8.014900616
B        7.821385603      3.452965266      8.036538616
H        7.891504604      4.420084341      7.358869568
B        7.999203615      1.766406135      7.529633580
H        8.123052624      1.475380112      6.385909493

142
symmetry c1
Ru       4.198839900     -0.094316838      0.508416070
Cu       1.692061854      0.051181986     -0.360578806
Cl       0.378129366      0.907438862      1.359799349
P        3.536405315     -2.243366623      1.188126783
P        4.586616421      1.748590896     -0.888276068
O        3.416346756     -3.138806010     -0.238141372
O        4.378975232      1.187019919     -2.462255405
O        3.271401789      1.382566555      3.048403374
O        7.084128451     -0.248557893      1.384569121
C        3.691424462     -2.471963077     -1.416651026
C        4.199686938     -0.175451887     -2.602127980
C        3.518833344      0.846099011      2.073813359
C        5.979592337     -0.192931490      1.083387355
C        1.830444303     -2.537745816      1.871709243
H        1.209626197     -1.894566621      1.237909445
C        1.367906837     -3.980665867      1.708895908
H        1.462872595     -4.330465676      0.681232410
H        0.315139011     -4.045401051      1.996549395
H        1.920210809     -4.663488296      2.360055948
C        1.676253493     -2.059610676      3.309632919
H        2.199971046     -2.716327611      4.008628762
H        0.617027922     -2.076080492      3.575613523
H        2.021253554     -1.035549641      3.454601259
C        4.641318277     -3.320264969      2.229351771
H        4.001547682     -4.150438316      2.546626452
C        5.812305692     -3.886264032      1.440065807
H        5.480637554     -4.501951268      0.604749539
H        6.424926446     -4.505457247      2.101387907
H        6.452263304     -3.093865129      1.045508651
C        5.120707435     -2.568919356      3.469106622
H        5.836643199     -1.789345032      3.205854080
H        5.630358351     -3.268379203      4.137255871
H        4.310957350     -2.104637272      4.032477638
C        3.544683145      3.294523099     -0.930735726
H        4.217044391      4.057049242     -1.338550703
C        2.346211206      3.163984512     -1.859382334
H        2.638170587      2.934693492     -2.883250589
H        1.798740696      4.111162103     -1.859577447
H        1.654647827      2.385247331     -1.524730949
C        3.116173390      3.714674436      0.470489164
H        2.362301454      3.032022857      0.867407762
H        2.669509215      4.711910036      0.424706822
H        3.945829456      3.759811456      1.178765304
C        6.334157551      2.377378994     -0.975684486
H        6.921845717      1.453074719     -0.971422323
C        6.649114854      3.139489728     -2.255895657
H        6.391550480      2.563857606     -3.145023557
H        7.720156810      3.357863568     -2.289910038
H        6.124407517      4.097336326     -2.302048665
C        6.683804100      3.184797048      0.269570490
H        6.163067625      4.145780080      0.279236738
H        7.756156707      3.395014520      0.280853237
H        6.442950901      2.656370199      1.194695979
B        4.727664367     -1.133792985     -1.297124046
B        3.033881893     -0.881895957     -1.558873465
B        5.604162092     -1.110197660     -2.834618263
H        6.649332197     -0.556615026     -2.923694008
B        5.266233507     -2.640823029     -2.051308768
H        6.038995251     -3.351354476     -1.505539013
B        2.770822750     -0.727762918     -3.330415546
H        1.992439001      0.056919279     -3.748781010
B        4.374036945     -0.860564563     -4.114360144
H        4.627935745     -0.163012702     -5.036765429
B        5.026182419     -2.478234780     -3.790187505
H        5.727497460     -3.036382171     -4.568253610
B        3.818258580     -3.354301490     -2.828014475
H        3.654062997     -4.526408459     -2.790661441
B        2.428951730     -2.261765910     -2.534484914
H        1.369793857     -2.736388631     -2.303900960
B        3.272188279     -2.243565282     -4.092666226
H        2.752245538     -2.640002953     -5.083177772
Ru      -4.155101479      0.595401358     -0.598350532
Cu      -1.618271092      0.391269636      0.156445523
Cl      -0.272082304      0.071346667     -1.704697189
P       -3.804349003      2.837568585      0.017520365
P       -4.282518740     -1.741303295     -0.417573952
O       -3.834029427      2.850657689      1.704338713
O       -3.982102133     -2.079500877      1.206413016
O       -3.079532692      0.833229060     -3.476316836
O       -7.045269658      0.875121330     -1.427316482
C       -3.934405398      1.621713115      2.326832555
C       -4.016758544     -0.997672880      2.063176949
C       -3.385629456      0.727224068     -2.383807413
C       -5.941092242      0.784208874     -1.133613705
C       -2.140956273      3.634718579     -0.241836675
H       -1.462354684      2.863059276      0.144630371
C       -1.949764750      4.891085123      0.599915139
H       -2.231635859      4.735712047      1.641371436
H       -0.893157691      5.171505837      0.577583489
H       -2.516456676      5.737977271      0.203723091
C       -1.799270704      3.880293230     -1.704765003
H       -2.401840572      4.685510912     -2.131516566
H       -0.753347215      4.188137274     -1.775203739
H       -1.909583798      2.988465388     -2.321619990
C       -5.049182706      4.161439303     -0.374549614
H       -4.553301813      5.100702921     -0.109543707
C       -6.310791349      4.029111742      0.466571511
H       -6.097667265      4.109141054      1.531949932
H       -7.008121230      4.826571283      0.194973712
H       -6.816356238      3.077213101      0.291513973
C       -5.370408150      4.176441446     -1.866850131
H       -5.926384565      3.284916950     -2.161172246
H       -5.998228811      5.042758007     -2.091496145
H       -4.482650565      4.239755440     -2.497297121
C       -3.144898607     -2.972696848     -1.227766086
H       -3.724129224     -3.902542360     -1.226129605
C       -1.866632550     -3.200157831     -0.433774507
H       -2.069300943     -3.551746163      0.577152585
H       -1.259292678     -3.949157584     -0.949742069
H       -1.271444995     -2.285511490     -0.377189378
C       -2.839701625     -2.581512140     -2.669934673
H       -2.151267202     -1.736170582     -2.701953823
H       -2.352004130     -3.420923223     -3.172689504
H       -3.732104502     -2.326871820     -3.244962977
C       -5.975831670     -2.486397752     -0.628298545
H       -6.623645182     -1.751833620     -0.138369315
C       -6.148797836     -3.824304324      0.078414210
H       -5.872514792     -3.767925484      1.131310652
H       -7.197302017     -4.129186627      0.017489753
H       -5.556721733     -4.614575776     -0.390433764
C       -6.361116142     -2.571587097     -2.101449360
H       -5.790202742     -3.347952078     -2.616726261
H       -7.418805226     -2.832836106     -2.187409892
H       -6.212509978     -1.629106790     -2.632835623
B       -4.754182789      0.410938345      1.458992180
B       -3.029796687      0.341598938      1.613024189
B       -5.534559366     -0.573967452      2.706687076
H       -6.474026967     -1.248530345      2.443998663
B       -5.482644295      1.168663665      2.883099901
H       -6.383314223      1.928562163      2.770016400
B       -2.653362953     -0.697211595      3.026303191
H       -1.740672415     -1.450205282      2.987328996
B       -4.213551270     -1.272107927      3.696438432
H       -4.304616494     -2.386797534      4.085683753
B       -5.129552469      0.135872164      4.270361004
H       -5.867697210      0.063444103      5.196949166
B       -4.128655417      1.572065277      3.985018238
H       -4.153471703      2.587991640      4.592394957
B       -2.601976170      1.053852459      3.209886093
H       -1.646890395      1.740407795      3.318944211
B       -3.346583742      0.060452584      4.470248259
H       -2.843640037     -0.063784290      5.538106399

80
symmetry c1
Ag       4.656727406      4.013524488      6.480146341
Ru       3.428769202      3.681426737      4.013583898
P        5.492583027      4.204355424      3.002554928
P        1.771995062      2.468979121      5.169374152
O        6.521586243      2.930850533      3.404610948
O        2.544592253      1.072054812      5.709795444
O        2.501321979      6.537881510      4.729111725
O        1.969320157      3.545438122      1.377443156
O        3.510759872      5.561372227      7.876342565
O        5.232872178      6.468745339      6.948036874
O        4.266156934      7.447755095      8.617545336
N        4.334307630      6.523566033      7.826291187
N        6.150552197      3.877522495      8.389963918
C        5.932588776      1.838121929      4.004088157
C        3.817786819      0.850624974      5.231080744
C        2.879841254      5.482944449      4.529177744
C        2.517020541      3.615315697      2.381290328
C        6.570726293      4.650266278      9.129570586
C        7.063663426      5.662359450     10.035843548
H        8.139916635      5.786597616      9.909264911
H        6.851991806      5.377380134     11.067317191
H        6.559574311      6.605941944      9.813495069
C        6.586290925      5.659735202      3.398287026
H        7.202631446      5.767436970      2.499151575
C        5.768473840      6.932145459      3.594912808
H        5.011024808      7.082110746      2.822738372
H        6.439843027      7.794473278      3.568872953
H        5.281898651      6.929961968      4.570904720
C        7.506258953      5.406304418      4.584200499
H        6.936714343      5.275111207      5.506705757
H        8.144288179      6.282933850      4.725669824
H        8.141527212      4.534165494      4.434265259
C        5.534727915      4.101532162      1.144360226
H        4.886421627      3.244008823      0.935813383
C        4.925303989      5.344478613      0.504901708
H        3.943121254      5.593018831      0.912308213
H        4.802572688      5.179124814     -0.568192879
H        5.576181274      6.213310734      0.628796729
C        6.920901273      3.802392465      0.587878643
H        7.608016743      4.640371738      0.730355442
H        6.845149121      3.627945258     -0.488914248
H        7.361512549      2.917098978      1.045667325
C        0.884577325      2.990230850      6.724686477
H       -0.037486821      2.399277942      6.697504705
C        0.522603799      4.471558713      6.691202866
H        1.402018793      5.088858664      6.878738107
H       -0.196324368      4.680706025      7.487647503
H        0.067020558      4.781782891      5.748665360
C        1.642064288      2.632285781      7.995721216
H        1.849150179      1.565430453      8.067034783
H        1.036872092      2.928647726      8.856778745
H        2.584153247      3.180017122      8.068752863
C        0.424373996      1.737587121      4.114082813
H        0.958144292      1.450329152      3.202136885
C       -0.622520311      2.788386561      3.759858341
H       -1.222218874      3.060191565      4.631879692
H       -1.304033857      2.384031805      3.007529686
H       -0.185158474      3.701161984      3.349501795
C       -0.209994821      0.488529065      4.710981150
H        0.534643528     -0.267060676      4.960159460
H       -0.904108146      0.057047414      3.984537417
H       -0.785937786      0.712240588      5.612555648
B        4.241499068      1.698604565      3.811586216
B        4.901553705      2.176235743      5.328863846
B        3.955843511     -0.051660204      3.796358791
H        2.971543295     -0.493424552      3.304955701
B        5.362012933      0.604986674      2.979121108
H        5.541437496      0.704000314      1.811438579
B        5.078949714      0.721027000      6.359603383
H        4.832060799      0.765664657      7.515966275
B        4.483022952     -0.669800912      5.395230500
H        3.852961548     -1.518566997      5.927479051
B        5.522111302     -0.849367326      3.968787785
H        5.738070459     -1.911645552      3.486591082
B        6.776653561      0.400656452      4.062125708
H        7.863727302      0.353342481      3.596718895
B        6.493306275      1.379814987      5.537560537
H        7.400296850      1.964252258      6.022393367
B        6.219790658     -0.369787897      5.555252181
H        6.919970694     -1.100202909      6.174792923



