  51
 
Au   -0.001606   -0.020790    0.003668
N     0.001972   -0.023563    2.038403
C     1.227720   -0.012780    2.615937
C     1.317429   -0.014176    4.002885
C     0.162053   -0.026285    4.763369
C    -1.077979   -0.036857    4.137840
C    -1.120306   -0.035181    2.758618
H     2.289230   -0.005556    4.478323
H     0.228263   -0.027321    5.844991
H    -2.000296   -0.046281    4.702901
H    -2.038184   -0.042930    2.181603
C     2.333386    0.000391    1.669164
C     3.682482    0.006215    2.017567
H     3.985238   -0.000004    3.058893
C     4.651664    0.014826    1.028474
H     5.699161    0.014897    1.310745
C     4.306605    0.020764   -0.323696
C     2.951230    0.010047   -0.669043
H     2.651333    0.006240   -1.711683
C     1.982066    0.001683    0.310218
C     5.360935    0.062446   -1.386769
H     6.303652   -0.355242   -1.029637
H     5.049633   -0.489403   -2.275579
H     5.553664    1.094982   -1.695509
O     0.213691   -0.016528   -1.970336
B    -0.827867   -0.028171   -2.828344
O    -2.163060   -0.037237   -2.481512
B    -2.749867   -0.046335   -1.216792
O    -2.063929   -0.047461   -0.070723
C    -0.491158   -0.033313   -4.372438
C    -1.507020   -0.079585   -5.332242
C     0.830930    0.004668   -4.826788
C    -1.217688   -0.087570   -6.690801
H    -2.540139   -0.110937   -5.002611
C     1.130065   -0.001684   -6.182154
H     1.634930    0.040795   -4.099210
C     0.103647   -0.048392   -7.118503
H    -2.022265   -0.124385   -7.417917
H     2.163403    0.029060   -6.511914
C    -4.330913   -0.055614   -1.190360
C    -5.082432   -0.031877   -2.369458
C    -5.028365   -0.086285    0.021492
C    -6.471270   -0.038063   -2.343185
H    -4.563809   -0.007315   -3.322106
C    -6.415974   -0.094013    0.059090
H    -4.465549   -0.105179    0.949195
C    -7.141516   -0.069408   -1.126513
H    -7.033136   -0.018580   -3.271339
H    -6.935367   -0.118717    1.011583
H    -8.226217   -0.074756   -1.101775
H     0.333414   -0.054112   -8.178862

  71
 
Au   -2.085800   -1.053297   -0.055229
N    -1.058536    0.679619   -0.348614
C     0.288913    0.578078   -0.249619
C     1.064532    1.716313   -0.436941
C     0.451071    2.923704   -0.718153
C    -0.933094    2.991269   -0.811707
C    -1.663764    1.836678   -0.619006
H     2.141744    1.650727   -0.361591
H     1.052567    3.813130   -0.864535
H    -1.444013    3.919450   -1.029793
H    -2.745790    1.789214   -0.671323
C     0.766429   -0.763767    0.052825
C     2.105076   -1.118917    0.200735
H     2.889867   -0.378406    0.091773
C     2.444279   -2.431323    0.487040
H     3.489845   -2.698260    0.597528
C     1.467367   -3.416071    0.633691
C     0.123836   -3.055338    0.481147
H    -0.658905   -3.799709    0.584207
C    -0.220830   -1.752339    0.197342
C     1.838723   -4.828877    0.965249
H     2.902840   -5.008763    0.806035
H     1.615484   -5.050498    2.013520
H     1.272309   -5.538721    0.358392
O    -2.895690   -2.839291    0.258747
B    -4.228851   -3.063130    0.239374
O    -5.203116   -2.111915    0.012513
B    -5.070874   -0.749630   -0.257950
O    -3.896115   -0.115347   -0.350005
C    -4.716397   -4.537045    0.497792
C    -6.068546   -4.876590    0.443677
C    -3.818125   -5.572852    0.787299
C    -6.522202   -6.172220    0.661366
H    -6.795475   -4.102846    0.219283
C    -4.243797   -6.867286    1.011862
H    -2.757313   -5.350649    0.838456
C    -5.604599   -7.181283    0.951429
H    -7.582698   -6.379229    0.598762
H    -3.539460   -7.660206    1.238779
C    -6.414087    0.047691   -0.457668
C    -7.661458   -0.559919   -0.312466
C    -6.413977    1.409730   -0.786889
C    -8.854831    0.132667   -0.481841
H    -7.704843   -1.613550   -0.056545
C    -7.585187    2.120402   -0.963933
H    -5.464131    1.920650   -0.908001
C    -8.821922    1.487322   -0.810131
H    -9.793574   -0.391732   -0.359782
H    -7.571745    3.174570   -1.218761
O    -5.918896   -8.473370    1.206568
C    -7.277922   -8.920125    1.104625
C    -7.359753  -10.193094    1.917548
C    -7.663948   -9.135308   -0.346530
H    -7.930165   -8.167560    1.561525
H    -7.081265  -10.008442    2.956483
H    -8.378690  -10.584853    1.896613
H    -6.690023  -10.952192    1.505983
H    -7.547098   -8.224165   -0.935525
H    -7.038159   -9.914483   -0.788809
H    -8.707267   -9.451822   -0.413658
O    -9.909419    2.276293   -0.981815
C   -11.227566    1.717843   -0.894233
C   -11.589828    0.990273   -2.175155
C   -12.153693    2.879935   -0.611206
H   -11.259779    1.026505   -0.044731
H   -10.886228    0.186358   -2.397396
H   -12.587656    0.554304   -2.088104
H   -11.591366    1.689378   -3.015153
H   -11.872355    3.383364    0.315321
H   -12.116183    3.604917   -1.427972
H   -13.181257    2.523885   -0.513600

  75
 
Au   -0.032488    0.388884   -0.046301
N    -0.039157    0.621194    1.976298
C     1.177083    0.814746    2.541116
C     1.260126    0.979042    3.918860
C     0.107740    0.942139    4.683037
C    -1.122589    0.741719    4.070436
C    -1.158447    0.583239    2.700111
H     2.224441    1.134073    4.384309
H     0.168661    1.069509    5.757450
H    -2.042326    0.707342    4.638758
H    -2.068344    0.421373    2.133073
C     2.281456    0.824910    1.592529
C     3.620210    1.012372    1.929207
H     3.914933    1.166786    2.961318
C     4.588738    1.007831    0.938971
H     5.628144    1.158111    1.210711
C     4.252831    0.816443   -0.401589
C     2.906790    0.632012   -0.735589
H     2.612788    0.486986   -1.769868
C     1.938651    0.634128    0.244378
C     5.308707    0.785916   -1.463636
H     5.555860   -0.246594   -1.730379
H     4.968465    1.282525   -2.374549
H     6.226827    1.269366   -1.126409
O     0.191223    0.183674   -2.009475
B    -0.842871   -0.016707   -2.855081
O    -2.171887   -0.115368   -2.497997
B    -2.761242   -0.038636   -1.236483
O    -2.081676    0.161623   -0.102976
C    -0.502820   -0.149141   -4.390167
C    -1.501592   -0.341155   -5.344665
C     0.812907   -0.077572   -4.860091
C    -1.207388   -0.455266   -6.698997
H    -2.535617   -0.401771   -5.020772
C     1.109629   -0.191373   -6.207548
H     1.618765    0.070692   -4.148526
C     0.105008   -0.383404   -7.162079
H    -2.022334   -0.603110   -7.397286
H     2.146316   -0.129419   -6.522677
C    -4.330802   -0.204256   -1.197844
C    -5.041933   -0.138066    0.005172
C    -5.077342   -0.422585   -2.355607
C    -6.418758   -0.280694    0.044999
H    -4.497393    0.029982    0.929158
C    -6.460022   -0.566302   -2.320662
H    -4.563339   -0.481947   -3.309579
C    -7.163218   -0.497588   -1.119653
H    -6.924882   -0.221566    1.003351
H    -6.989062   -0.733824   -3.250925
C    -8.680849   -0.647567   -1.037849
C    -9.025734   -1.848567   -0.147114
H    -8.634048   -1.726159    0.864981
H   -10.111329   -1.964055   -0.075556
H    -8.611284   -2.772002   -0.560288
C    -9.285430    0.623615   -0.426593
H    -9.055429    1.498933   -1.039890
H   -10.373433    0.528776   -0.362154
H    -8.904916    0.807879    0.580458
C    -9.317445   -0.869945   -2.408623
H    -9.132051   -0.030467   -3.083808
H    -8.947987   -1.781994   -2.884603
H   -10.399862   -0.970926   -2.294470
C     0.471138   -0.505512   -8.639470
C    -0.756054   -0.703292   -9.527524
H    -1.450637    0.137788   -9.455067
H    -0.440090   -0.782841  -10.570878
H    -1.297679   -1.618744   -9.275168
C     1.404131   -1.708037   -8.834153
H     2.323676   -1.603757   -8.254063
H     0.914086   -2.635469   -8.526150
H     1.681143   -1.802121   -9.888356
C     1.191660    0.770822   -9.093593
H     2.108016    0.943046   -8.524673
H     1.463136    0.692622  -10.150471
H     0.548742    1.646470   -8.970880

  63
 
Au    0.061082    0.155317    0.231401
N     2.000093   -0.020823    0.817982
C     2.644237    1.162119    1.058997
C     3.984586    1.121819    1.446888
C     4.630919   -0.102387    1.572060
C     3.942880   -1.289358    1.307384
C     2.612387   -1.216439    0.926633
H     4.508346    2.048238    1.642957
H     5.672362   -0.133023    1.871877
H     4.425611   -2.254053    1.390868
H     1.986244   -2.071587    0.690881
C     1.818264    2.348128    0.867230
C     2.243302    3.667640    1.064834
H     3.260291    3.881020    1.379717
C     1.356065    4.716431    0.855354
H     1.689240    5.738436    1.006040
C     0.032090    4.479000    0.455481
C    -0.392970    3.157947    0.255311
H    -1.412726    2.939962   -0.045996
C     0.490302    2.110390    0.451870
C    -0.929377    5.626490    0.267066
H    -0.434786    6.480772   -0.208743
H    -1.781044    5.323128   -0.350323
H    -1.317876    5.957143    1.239627
O    -1.770767    0.564893   -0.396993
B    -2.679286   -0.414986   -0.767155
O    -2.402948   -1.785196   -0.680949
B    -1.268167   -2.510590   -0.252376
O    -0.123611   -1.874848    0.161752
C    -1.392031   -4.070546   -0.333696
C    -0.607416   -4.989355    0.439587
C    -2.300949   -4.580656   -1.247885
C    -0.754572   -6.397356    0.223304
C     0.291716   -4.559278    1.453540
C    -2.440828   -5.968183   -1.465986
H    -2.913520   -3.884295   -1.810089
C     0.014751   -7.306476    0.996474
C    -1.677611   -6.858068   -0.751044
C     1.014031   -5.464897    2.193755
H     0.375722   -3.494639    1.630801
H    -3.153803   -6.326433   -2.201188
C     0.883037   -6.853547    1.959278
H    -0.105638   -8.370860    0.816362
H    -1.774048   -7.928101   -0.911358
H     1.684474   -5.117315    2.973552
H     1.461296   -7.556481    2.549485
C    -4.111772   -0.017615   -1.260689
C    -5.107378   -0.968025   -1.091056
C    -4.462106    1.251646   -1.831175
C    -6.453184   -0.706034   -1.425299
C    -5.827591    1.514139   -2.174872
C    -6.807166    0.512900   -1.949073
H    -7.840050    0.728442   -2.207312
H    -4.833698   -1.935492   -0.684470
H    -7.204475   -1.472186   -1.264948
C    -3.498364    2.259490   -2.108726
C    -3.866005    3.458743   -2.671766
H    -3.111841    4.209762   -2.886284
C    -5.219329    3.721792   -2.987327
H    -5.494913    4.673637   -3.428784
C    -6.176084    2.766821   -2.745938
H    -7.217098    2.950388   -2.995844
H    -2.464712    2.049464   -1.867402

  59
 
Au    0.054780    0.062633   -0.020201
N     2.087736    0.014283    0.052422
C     2.698192    1.223137    0.006357
C     4.086252    1.277330    0.051586
C     4.814437    0.104720    0.140956
C     4.155627   -1.117223    0.184701
C     2.776560   -1.124390    0.137938
H     4.587752    2.235308    0.016286
H     5.896806    0.143411    0.176175
H     4.694860   -2.052331    0.254269
H     2.174914   -2.025966    0.166165
C     1.782825    2.351206   -0.088063
C     2.167142    3.688289   -0.149865
H     3.215698    3.964601   -0.131923
C     1.204288    4.680958   -0.237748
H     1.514523    5.719215   -0.287196
C    -0.155146    4.371005   -0.264852
C    -0.536974    3.025767   -0.206061
H    -1.586696    2.752268   -0.228725
C     0.414797    2.034664   -0.118580
C    -1.192915    5.448505   -0.340216
H    -1.938673    5.224251   -1.106478
H    -1.725902    5.538800    0.611163
H    -0.745500    6.417146   -0.566854
O    -1.912350    0.326764   -0.101044
B    -2.796856   -0.692048   -0.078811
O    -2.485745   -2.034950   -0.022776
B    -1.237333   -2.651241    0.053973
O    -0.075472   -1.993822    0.092430
C    -4.330669   -0.318115   -0.117783
C    -4.758477    1.010465   -0.166527
C    -5.320420   -1.308767   -0.095990
C    -6.105743    1.334572   -0.190454
H    -4.017808    1.802918   -0.184890
C    -6.667515   -0.993595   -0.119878
H    -5.018496   -2.350070   -0.058589
C    -7.088397    0.340136   -0.165738
H    -6.411382    2.376162   -0.227382
H    -7.400041   -1.793408   -0.103032
C    -1.251483   -4.230694    0.096238
C    -0.060747   -4.964212    0.175998
C    -2.443685   -4.956518    0.051511
C    -0.055426   -6.346672    0.210585
H     0.882029   -4.427811    0.211220
C    -2.447996   -6.343074    0.084802
H    -3.385088   -4.421157   -0.011648
C    -1.255240   -7.066886    0.165070
H     0.890523   -6.874030    0.272815
H    -3.390205   -6.882200    0.047826
C    -1.315698   -8.530611    0.196680
H    -2.322238   -8.942126    0.151761
C    -8.498542    0.738034   -0.188574
H    -8.664053    1.812221   -0.245663
C    -9.563969   -0.061368   -0.144807
H    -9.484830   -1.141653   -0.084642
H   -10.565878    0.350882   -0.167594
C    -0.291537   -9.380113    0.272335
H     0.741125   -9.051193    0.320728
H    -0.460809  -10.450341    0.288385

  55
 
Au   -0.015744    0.083446   -0.019111
N    -0.016881    0.191399    2.011959
C     1.205931    0.282976    2.588568
C     1.292222    0.358362    3.973627
C     0.136462    0.339328    4.733301
C    -1.100572    0.245596    4.108755
C    -1.139623    0.172357    2.731465
H     2.261727    0.431832    4.448183
H     0.199901    0.397954    5.813482
H    -2.023169    0.228666    4.673161
H    -2.055127    0.096021    2.156031
C     2.312172    0.292430    1.642817
C     3.658746    0.370079    1.990171
H     3.959451    0.428771    3.030393
C     4.628834    0.368167    1.001276
H     5.674864    0.425255    1.282780
C     4.286722    0.291949   -0.348870
C     2.932970    0.208671   -0.693482
H     2.635775    0.139171   -1.734562
C     1.964063    0.210385    0.285146
C     5.339191    0.318198   -1.414197
H     5.112259   -0.391709   -2.212314
H     5.398847    1.310907   -1.871463
H     6.323275    0.080598   -1.007698
O     0.200545   -0.012982   -1.992604
B    -0.837788   -0.113305   -2.845957
O    -2.172729   -0.164564   -2.502652
B    -2.757155   -0.136384   -1.237513
O    -2.076450   -0.047236   -0.093980
C    -0.498539   -0.178730   -4.389175
C    -1.508056   -0.310957   -5.347488
C     0.821433   -0.106914   -4.845141
C    -1.220770   -0.369017   -6.701004
H    -2.540474   -0.370553   -5.020939
C     1.128035   -0.162274   -6.193418
H     1.622820   -0.003743   -4.121723
C     0.105552   -0.294784   -7.140484
H    -2.017550   -0.472004   -7.428882
H     2.157740   -0.104217   -6.527546
C    -4.337153   -0.218573   -1.208735
C    -5.033089   -0.232511    0.004201
C    -5.090351   -0.278552   -2.385248
C    -6.414362   -0.305012    0.049903
H    -4.472522   -0.186477    0.931797
C    -6.473243   -0.349936   -2.360721
H    -4.576848   -0.267415   -3.340410
C    -7.153178   -0.364920   -1.137869
H    -6.935238   -0.315973    1.000689
H    -7.038965   -0.395303   -3.284446
C    -8.575122   -0.440529   -1.101681
C     0.411221   -0.353350   -8.530464
C    -9.777859   -0.505724   -1.070859
H   -10.841550   -0.563056   -1.044484
C     0.670231   -0.402961   -9.706094
H     0.898674   -0.446955  -10.745963

  61
 
Au    0.023730    0.003541   -0.035361
N     2.056928    0.003201   -0.039226
C     2.637291    1.227397   -0.008169
C     4.024242    1.314095   -0.008050
C     4.782274    0.157452   -0.039313
C     4.154077   -1.080834   -0.070062
C     2.774864   -1.120406   -0.069041
H     4.501641    2.284652    0.016642
H     5.864011    0.221280   -0.039401
H     4.716981   -2.004164   -0.094718
H     2.197199   -2.037359   -0.091698
C     1.692840    2.334357    0.022326
C     2.042747    3.682321    0.059048
H     3.084480    3.983459    0.067966
C     1.054742    4.652417    0.088982
H     1.338501    5.698950    0.121345
C    -0.297677    4.309518    0.080435
C    -0.645000    2.954709    0.047706
H    -1.688061    2.656595    0.046467
C     0.333327    1.985612    0.017484
C    -1.360245    5.365110    0.081238
H    -0.989264    6.303557    0.496122
H    -1.701342    5.566818   -0.939271
H    -2.231661    5.049548    0.658102
O    -1.952250    0.219516   -0.026530
B    -2.808871   -0.819292   -0.048779
O    -2.470865   -2.155904   -0.073644
B    -1.205649   -2.740256   -0.092793
O    -0.059104   -2.060745   -0.093674
C    -4.355638   -0.478542   -0.046583
C    -5.320400   -1.491933   -0.076845
C    -4.803677    0.844457   -0.016957
C    -6.672469   -1.197789   -0.077216
H    -4.996405   -2.526585   -0.100958
C    -6.155620    1.149472   -0.017324
H    -4.074317    1.646568    0.006577
C    -7.106948    0.128369   -0.047509
H    -7.415278   -1.986903   -0.100947
H    -6.466545    2.187546    0.006029
C    -1.180656   -4.324469   -0.113849
C    -2.358596   -5.075509   -0.106708
C     0.033091   -5.021452   -0.137393
C    -2.332439   -6.462236   -0.122252
H    -3.312426   -4.559999   -0.087873
C     0.070817   -6.403432   -0.153251
H     0.960498   -4.458800   -0.143093
C    -1.114413   -7.142467   -0.145659
H    -3.267079   -7.011138   -0.115883
H     1.014349   -6.936813   -0.171378
C    -1.034049   -8.631074   -0.162562
C    -8.572331    0.405555   -0.048955
O     0.045141   -9.194118   -0.184105
O    -9.376650   -0.507689   -0.069047
C    -9.035334    1.836537   -0.024990
H   -10.123288    1.861490   -0.034850
H    -8.668470    2.346398    0.869605
H    -8.651099    2.382537   -0.890417
C    -2.312494   -9.423677   -0.152146
H    -2.902333   -9.196145    0.739561
H    -2.928774   -9.176982   -1.020548
H    -2.075093  -10.485707   -0.167241

  49
 
Au    0.050972   -0.016940    0.056544
N     0.054030   -0.024261    2.094954
C     1.279916   -0.018161    2.671518
C     1.370053   -0.021029    4.058689
C     0.214680   -0.030069    4.819412
C    -1.025680   -0.035986    4.194347
C    -1.068234   -0.032755    2.814880
H     2.341809   -0.016216    4.534317
H     0.281243   -0.032366    5.901055
H    -1.947745   -0.043011    4.759959
H    -1.985883   -0.036607    2.236314
C     2.386397   -0.009632    1.724244
C     3.735073    0.001299    2.075066
H     4.036433    0.005618    3.116881
C     4.705815    0.011500    1.087564
H     5.752859    0.024106    1.371527
C     4.362674    0.008158   -0.265376
C     3.007975    0.002088   -0.612821
H     2.708688    0.006831   -1.656128
C     2.036105   -0.008148    0.364689
C     5.420025   -0.014288   -1.326252
H     5.644394   -1.044109   -1.622596
H     5.094296    0.517654   -2.221903
H     6.349445    0.435061   -0.972340
O     0.267101   -0.006730   -1.916737
B    -0.776443   -0.010891   -2.775656
O    -2.111759   -0.021258   -2.416834
B    -2.704553   -0.028774   -1.150206
O    -2.007648   -0.028609   -0.008491
C    -4.292594   -0.037806   -1.150923
H    -4.631368    0.826487   -1.740305
H    -4.621067   -0.908061   -1.737464
C    -4.986879   -0.039822    0.204176
H    -4.655152   -0.909746    0.781991
H    -4.666156    0.836272    0.778932
C    -6.505499   -0.049442    0.103288
H    -6.857163   -0.934595   -0.436095
H    -6.980002   -0.050240    1.088958
H    -6.868004    0.829004   -0.439868
C    -0.469868   -0.007546   -4.333757
H    -1.023408    0.831927   -4.777784
H    -0.945297   -0.902215   -4.761418
C     0.990772    0.052669   -4.759047
H     1.453754    0.953576   -4.341814
H     1.533518   -0.789239   -4.316095
C     1.179514    0.039906   -6.269123
H     2.236432    0.087366   -6.547037
H     0.760410   -0.870002   -6.710087
H     0.674411    0.891580   -6.735528

