  104
 C    -1.535225     5.049549     0.877464
 C    -1.077807     3.810869     0.314745
 C    -1.109118     3.720263    -1.111923
 C    -1.574046     4.783029    -1.904850
 C    -2.027553     5.997024    -1.343648
 C    -1.991721     6.098823     0.068320
 N    -0.627874     2.765001     1.096325
Pd    -0.152331     0.808087     0.510697
 C     0.348286    -1.123105     0.003227
 C     1.743297    -1.423738    -0.326165
 C     2.785835    -0.539408     0.114803
 C     4.130005    -0.773671    -0.196115
 C     4.539767    -1.877970    -0.986373
 C     3.515221    -2.729857    -1.460982
 C     2.165868    -2.516989    -1.144322
 P     2.163552     0.956563     1.050297
 C     2.673042     0.734456     2.892311
 C     4.199642     0.665985     3.114801
 C     6.035767    -2.084045    -1.311763
 C     6.578724    -0.845062    -2.084982
 C    -2.512759     7.149255    -2.208016
 P    -2.342399     0.103165    -0.152331
 C    -3.811275     0.455477     1.023987
 C    -4.285940     1.920316     0.893443
 C    -2.078444    -1.750860    -0.078395
 C    -0.699328    -2.144771     0.004792
 C    -0.464342    -3.545098     0.171536
 C    -1.512853    -4.474668     0.213802
 C    -2.866186    -4.082964     0.089824
 C    -3.113197    -2.693006    -0.050932
 C    -4.044748    -5.081117     0.126676
 C    -3.568480    -6.545329     0.298902
 C    -2.975778     0.513615    -1.921610
 C    -4.339891    -0.124311    -2.262762
 C     3.174733     2.446947     0.404491
 C     2.856824     2.687170    -1.088160
 C    -4.987409    -4.735238     1.317906
 C    -4.846907    -4.985114    -1.205531
 C     6.278856    -3.340961    -2.184484
 C     6.837997    -2.251282     0.013206
 C    -1.901928     0.125468    -2.961314
 C    -3.403718     0.122594     2.476253
 C     2.882063     3.710118     1.246207
 C     1.959798    -0.501637     3.482767
 H    -4.142172    -2.347144    -0.117547
 H    -1.263149    -5.520845     0.360904
 H     0.550998    -3.898299     0.319000
 H    -5.393224    -3.719625     1.234241
 H    -4.450564    -4.805162     2.272767
 H    -5.835525    -5.433063     1.348531
 H    -0.611736     2.975361     2.095065
 H    -5.245145    -3.975801    -1.367452
 H    -5.695841    -5.682332    -1.191327
 H    -4.209721    -5.236906    -2.063105
 H    -4.436743    -7.216616     0.311547
 H    -3.024962    -6.687713     1.242008
 H    -2.916211    -6.860466    -0.525945
 H     4.883027    -0.074113     0.159425
 H     3.763698    -3.569485    -2.102739
 H     1.418846    -3.175434    -1.575503
 H     5.770263    -3.267340    -3.154520
 H     5.936346    -4.255934    -1.683828
 H     7.353105    -3.451160    -2.381100
 H     6.734778    -1.374249     0.664352
 H     7.906817    -2.383890    -0.203276
 H     6.489014    -3.128699     0.572875
 H     6.035980    -0.705281    -3.028643
 H     7.644185    -0.978279    -2.317447
 H     6.476793     0.076871    -1.499354
 H    -2.580655     0.771172     2.800336
 H    -3.083946    -0.920845     2.584549
 H    -4.257201     0.290174     3.147675
 H    -3.076335     1.606819    -1.909615
 H    -4.626482    -0.218453     0.721577
 H    -2.219681     0.451303    -3.961188
 H    -1.754492    -0.961834    -2.989312
 H    -0.935102     0.591588    -2.739885
 H    -4.662256     2.153222    -0.110260
 H    -3.471368     2.616902     1.116909
 H    -5.102458     2.104089     1.605457
 H    -5.125872     0.156490    -1.551172
 H    -4.269260    -1.218696    -2.292918
 H    -4.660834     0.213097    -3.258200
 H     4.236413     2.176412     0.505130
 H     0.873357    -0.441092     3.350414
 H     2.176320    -0.579192     4.557144
 H     2.306816    -1.423777     2.999336
 H     4.719660     1.552373     2.731084
 H     4.627449    -0.223756     2.636735
 H     4.411311     0.597507     4.190927
 H     3.437964     4.562362     0.832603
 H     3.183917     3.595505     2.295621
 H     1.813089     3.949570     1.211816
 H     1.813455     2.997561    -1.214998
 H     3.032422     1.790458    -1.694978
 H     3.497739     3.491308    -1.475131
 H    -0.742127     2.809153    -1.580926
 H    -1.573893     4.667213    -2.989306
 H    -2.330600     7.020210     0.544033
 H    -1.528345     5.167742     1.961924
 H    -2.572425     6.854120    -3.263342
 H    -1.840189     8.018657    -2.148883
 H    -3.511830     7.495392    -1.904919
 H     2.279189     1.635352     3.384223

   53
 C    -4.652272    -0.863966    -0.857068
 C    -3.372795    -0.799864    -0.210450
 C    -3.378490    -0.549231     1.199792
 C    -4.578858    -0.366195     1.904055
 C    -5.828158    -0.425331     1.249759
 C    -5.843522    -0.682758    -0.138846
 N    -2.186990    -0.983904    -0.896133
Pd    -0.287925    -0.299570    -0.361140
 C     1.618161     0.363918     0.055455
 C     2.631644    -0.612466     0.465453
 C     2.426267    -2.005643     0.179662
 C     3.360790    -2.983358     0.547841
 C     4.527453    -2.626618     1.254623
 C     4.729635    -1.272820     1.599019
 C     3.809841    -0.287900     1.214510
 P     0.796411    -2.382630    -0.652267
 C     1.213413    -3.066740    -2.359020
 H     1.853539    -3.952548    -2.274645
 H     5.246395    -3.386164     1.550333
 P    -0.866929     1.961545     0.086571
 C    -2.008676     2.842756    -1.117560
 H    -2.993250     2.367810    -1.067501
 C     0.824860     2.733778    -0.112079
 C     1.908666     1.790143    -0.114946
 C     3.214060     2.325279    -0.368378
 C     3.420504     3.698772    -0.555798
 C     2.342140     4.607107    -0.495562
 C     1.040914     4.108216    -0.279123
 H     2.507293     5.672159    -0.636169
 C    -1.489441     2.530524     1.771573
 H    -1.481979     3.625212     1.828713
 C     0.063691    -3.860434     0.246925
 H    -0.013890    -3.622355     1.311471
 H    -0.837114     2.121890     2.548640
 H    -1.612674     2.733310    -2.131149
 H    -0.943261    -4.037006    -0.142995
 H     1.734696    -2.295989    -2.933616
 H     0.200915     4.800658    -0.261561
 H     4.423889     4.065209    -0.762724
 H     4.056394     1.648626    -0.466041
 H    -2.319464    -1.202101    -1.885156
 H     3.182050    -4.030194     0.307554
 H     5.603939    -0.989145     2.181256
 H     3.971218     0.736705     1.532685
 H    -2.505444     2.153543     1.919589
 H    -2.102658     3.906989    -0.873087
 H     0.678940    -4.757793     0.114852
 H    -2.425267    -0.544449     1.725713
 H    -4.540755    -0.190881     2.979058
 H    -6.794705    -0.740407    -0.667178
 H    -4.689448    -1.058790    -1.929483
 H     0.287458    -3.335438    -2.878290
 H    -6.754538    -0.288028     1.801521

  111
 C     0.006383    -2.885191     2.442283
 C     0.249803    -3.557902     1.207922
 C     0.828532    -4.863536     1.297817
 C     1.121071    -5.448114     2.539367
 C     0.860531    -4.769425     3.748525
 C     0.304563    -3.476196     3.679741
 N     0.001932    -2.887208     0.000046
 C    -0.244723    -3.558408    -1.207800
 C    -0.821324    -4.864990    -1.297667
 C    -1.112616    -5.450201    -2.539210
 C    -0.852829    -4.771272    -3.748395
 C    -0.298868    -3.477179    -3.679647
 C    -0.001956    -2.885526    -2.442194
Pd     0.000398    -0.733781    -0.000051
 P    -2.320152    -0.414234    -0.565819
 C    -3.726187    -1.365386     0.325857
 C    -3.804024    -2.826724    -0.167499
 P     2.320480    -0.411129     0.565835
 C     3.727755    -1.360493    -0.325781
 C     3.807542    -2.821674     0.167739
 C     2.503971     1.368132     0.018355
 C     1.260229     2.033063    -0.221988
 C     1.356737     3.363316    -0.744956
 C     2.591267     3.980517    -0.961298
 C     3.820621     3.332050    -0.672223
 C     3.737308     2.008086    -0.185481
 C    -0.000970     1.325591    -0.000045
 C    -1.263101     2.031393     0.221894
 C    -2.505970     1.364796    -0.018372
 C    -3.740150     2.003120     0.185482
 C    -3.825196     3.326992     0.672179
 C    -2.596693     3.977115     0.961153
 C    -1.361354     3.361545     0.744794
 C     5.158774     4.063875    -0.915018
 C     6.385937     3.194148    -0.543485
 C    -5.164302     4.057100     0.914879
 C    -6.390321     3.185776     0.543322
 C     2.777081    -0.464165     2.436751
 C     4.257074    -0.136085     2.731147
 C     5.201672     5.359192    -0.050715
 C     5.275837     4.448582    -2.420342
 C     1.834440     0.468283     3.228408
 C     3.554087    -1.293221    -1.858030
 C    -2.776813    -0.467865    -2.436704
 C    -4.257336    -0.142046    -2.730932
 C    -5.208801     5.352311     0.050502
 C    -5.281946     4.441742     2.420174
 C    -1.835705     0.466122    -3.228369
 C    -3.552719    -1.297697     1.858105
 H     4.652281     1.460682     0.016781
 H     2.598448     4.985741    -1.377688
 H     0.450248     3.890918    -1.023316
 H     4.370492     6.033235    -0.290323
 H     6.139003     5.904324    -0.227136
 H     5.140590     5.117530     1.018379
 H     5.263329     3.552540    -3.054273
 H     6.215889     4.986703    -2.603635
 H     4.450636     5.096534    -2.739219
 H     6.435016     2.278881    -1.147986
 H     6.377606     2.909215     0.516922
 H     7.307808     3.760842    -0.726761
 H     2.566162    -1.501822     2.726860
 H     4.655890    -0.836985    -0.053994
 H     2.008597     1.520301     2.968237
 H     2.018243     0.349128     4.304890
 H     0.781090     0.240663     3.032404
 H     4.949943    -0.826053     2.235060
 H     4.435434    -0.212694     3.812775
 H     4.505733     0.888690     2.427929
 H     2.664609    -1.849152    -2.172990
 H     4.425398    -1.752176    -2.345434
 H     3.468283    -0.261348    -2.219357
 H     2.882529    -3.361318    -0.057856
 H     3.982093    -2.892811     1.248171
 H     4.635518    -3.334505    -0.340640
 H    -1.064550    -5.407503    -0.389449
 H    -1.556643    -6.444438    -2.561265
 H    -1.075566    -5.233803    -4.706583
 H    -0.088336    -2.925952    -4.595143
 H     0.423431    -1.884954    -2.406164
 H    -4.654406     1.454502    -0.016735
 H    -2.605185     4.982368     1.377451
 H    -0.455555     3.890374     1.023070
 H    -4.378469     6.027404     0.290099
 H    -6.146820     5.896277     0.226868
 H    -5.147383     5.110667    -1.018578
 H    -5.268293     3.545760     3.054165
 H    -6.222713     4.978642     2.603383
 H    -4.457618     5.090803     2.739054
 H    -6.438238     2.270469     1.147853
 H    -6.381566     2.900812    -0.517075
 H    -7.312933     3.751285     0.726530
 H    -2.564331    -1.505180    -2.726899
 H    -4.655004    -0.843139     0.053965
 H    -2.011521     1.517846    -2.968125
 H    -2.019390     0.346736    -4.304845
 H    -0.781982     0.240170    -3.032445
 H    -4.949084    -0.833138    -2.234845
 H    -4.435679    -0.218826    -3.812551
 H    -4.507551     0.882312    -2.427591
 H    -2.662594    -1.852507     2.173212
 H    -4.423509    -1.757648     2.345502
 H    -3.468201    -0.265671     2.219296
 H    -2.878316    -3.365119     0.058214
 H    -3.978420    -2.898203    -1.247934
 H    -4.631355    -3.340584     0.340893
 H     1.072400    -5.405776     0.389607
 H     1.566676    -6.441643     2.561444
 H     1.084261    -5.231465     4.706718
 H     0.093463    -2.925147     4.595213
 H    -0.420476    -1.885248     2.406214

   63
 C    -2.131918     0.814338    -2.304877
 C    -2.768275     0.664222    -1.037100
 C    -4.043837     1.290399    -0.876910
 C    -4.636240     2.010385    -1.925808
 C    -3.992094     2.145800    -3.174284
 C    -2.730850     1.540407    -3.347082
 N    -2.095689     0.000003     0.000006
 C    -2.768259    -0.664224     1.037118
 C    -4.043816    -1.290416     0.876938
 C    -4.636201    -2.010408     1.925841
 C    -3.992045    -2.145816     3.174312
 C    -2.730806    -1.540408     3.347100
 C    -2.131891    -0.814332     2.304890
Pd     0.032860     0.000003    -0.000007
 P     0.320678    -2.351202    -0.191606
 C    -0.692098    -3.273676    -1.477359
 H    -1.746484    -3.220539    -1.189290
 P     0.320684     2.351209     0.191589
 C    -0.692093     3.273692     1.477334
 H    -1.746477     3.220563     1.189259
 C     2.096310     2.384220     0.771410
 C     2.789220     1.136901     0.605319
 C     4.123885     1.077918     1.123468
 C     4.729135     2.193475     1.718024
 C     4.040272     3.420733     1.821474
 C     2.714355     3.502029     1.347954
 C     2.090328     0.000000    -0.000002
 C     2.789220    -1.136902    -0.605320
 C     2.096307    -2.384218    -0.771418
 C     2.714351    -3.502028    -1.347961
 C     4.040271    -3.420736    -1.821473
 C     4.729137    -2.193480    -1.718016
 C     4.123888    -1.077923    -1.123462
 H     4.515197     4.284721     2.278907
 H     4.515196    -4.284725    -2.278904
 C     0.240935     3.471109    -1.320434
 H     0.516940     4.497438    -1.051656
 H     0.934692     3.093345    -2.076912
 H    -0.568473     2.787682     2.449070
 C     0.240918    -3.471104     1.320414
 H     0.516921    -4.497434     1.051636
 H     0.934672    -3.093344     2.076896
 H    -0.568468    -2.787665    -2.449093
 H     2.168594     4.438415     1.450538
 H     5.738283     2.105794     2.115091
 H     4.662807     0.136632     1.098636
 H    -0.773589     3.448713    -1.729008
 H    -0.384976     4.323233     1.549295
 H    -4.554330    -1.222976    -0.079469
 H    -5.606072    -2.478472     1.763687
 H    -4.458927    -2.701461     3.983657
 H    -2.214588    -1.623540     4.302360
 H    -1.164354    -0.338386     2.454731
 H     2.168587    -4.438412    -1.450549
 H     5.738289    -2.105803    -2.115077
 H     4.662814    -0.136639    -1.098624
 H    -0.773608    -3.448707     1.728983
 H    -0.384989    -4.323219    -1.549319
 H    -4.554344     1.222954     0.079501
 H    -5.606114     2.478438    -1.763646
 H    -4.458989     2.701441    -3.983625
 H    -2.214640     1.623546    -4.302346
 H    -1.164377     0.338403    -2.454726

   53
 C    -4.836109    -0.170071    -0.817446
 C    -3.510597    -0.191309    -0.247653
 C    -3.443169    -0.177755     1.190731
 C    -4.601098    -0.144457     1.978093
 C    -5.892375    -0.122065     1.398701
 C    -5.983468    -0.136937    -0.011817
 N    -2.371845    -0.225168    -1.006148
Pd    -0.319688    -0.068505    -0.424108
 C     1.718517     0.096384     0.044445
 C     2.441705    -1.111792     0.373797
 C     1.889010    -2.426417     0.094030
 C     2.568639    -3.623696     0.364533
 C     3.837376    -3.622173     0.976984
 C     4.380231    -2.362447     1.342929
 C     3.721186    -1.164283     1.062508
 P     0.180791    -2.363008    -0.610817
 C     0.232058    -3.235646    -2.288051
 H     0.612302    -4.258861    -2.179413
 H     4.362297    -4.550021     1.192477
 P    -0.316437     2.252493    -0.009231
 C    -1.114340     3.387705    -1.286262
 H    -2.186843     3.170378    -1.327589
 C     1.497733     2.614127    -0.006962
 C     2.315771     1.413771    -0.003154
 C     3.737354     1.688697    -0.127930
 C     4.255289     2.984698    -0.173879
 C     3.420568     4.130097    -0.101848
 C     2.030004     3.911530    -0.033947
 H     3.833848     5.135765    -0.129016
 C    -1.029299     2.921705     1.607940
 H    -0.863471     4.003585     1.684533
 C    -0.884518    -3.539661     0.407857
 H    -0.836364    -3.226756     1.454927
 H    -0.524498     2.418132     2.437776
 H    -0.667967     3.179884    -2.263443
 H    -1.922278    -3.466660     0.066712
 H     0.895373    -2.671872    -2.950809
 H     1.354901     4.769421    -0.018462
 H     5.333032     3.113547    -0.286894
 H     4.421536     0.856393    -0.250941
 H    -2.553697    -0.231673    -2.012540
 H     2.098580    -4.576394     0.112181
 H     5.331142    -2.323863     1.876939
 H     4.157491    -0.239924     1.424669
 H    -2.100607     2.698808     1.651305
 H    -0.958721     4.443588    -1.032860
 H    -0.529694    -4.574292     0.321098
 H    -2.456912    -0.207178     1.650913
 H    -4.498098    -0.138769     3.064189
 H    -6.964514    -0.121665    -0.489803
 H    -4.935182    -0.179948    -1.904552
 H    -0.775256    -3.259754    -2.719191
 H    -6.785936    -0.096779     2.018921

   63
 C    -2.145481     0.691039    -2.337995
 C    -2.819230     0.580309    -1.080935
 C    -4.123319     1.172432    -1.005822
 C    -4.705179     1.805790    -2.115326
 C    -4.029154     1.886586    -3.351465
 C    -2.737049     1.324152    -3.440316
 N    -2.150681    -0.000025     0.000009
 C    -2.819194    -0.580361     1.080976
 C    -4.123283    -1.172493     1.005904
 C    -4.705107    -1.805847     2.115428
 C    -4.029049    -1.886625     3.351549
 C    -2.736949    -1.324173     3.440364
 C    -2.145415    -0.691065     2.338020
Pd     0.049024    -0.000004    -0.000017
 P     0.339739    -2.341170    -0.196792
 C    -0.658549    -3.247601    -1.514298
 H    -1.720921    -3.192111    -1.254737
 P     0.339704     2.341169     0.196718
 C    -0.658642     3.247651     1.514145
 H    -1.721001     3.192165     1.254531
 C     2.120233     2.430021     0.688958
 C     2.816934     1.168705     0.519457
 C     4.193725     1.201002     0.980096
 C     4.792093     2.358358     1.482411
 C     4.088828     3.587538     1.574322
 C     2.736711     3.591249     1.177098
 C     2.143225     0.000011     0.000013
 C     2.816966    -1.168668    -0.519422
 C     2.120287    -2.429992    -0.688962
 C     2.736799    -3.591207    -1.177089
 C     4.088930    -3.587473    -1.574269
 C     4.792171    -2.358281    -1.482331
 C     4.193770    -1.200939    -0.980026
 H     4.565566     4.484919     1.961896
 H     4.565694    -4.484844    -1.961832
 C     0.135806     3.471549    -1.303256
 H     0.398548     4.504297    -1.042110
 H     0.806520     3.114743    -2.090522
 H    -0.502473     2.750739     2.476051
 C     0.135780    -3.471609     1.303128
 H     0.398538    -4.504346     1.041954
 H     0.806456    -3.114831     2.090439
 H    -0.502325    -2.750661    -2.476180
 H     2.156948     4.511985     1.264725
 H     5.825057     2.305084     1.829860
 H     4.763166     0.277844     0.988680
 H    -0.896173     3.422289    -1.664727
 H    -0.350301     4.297457     1.592329
 H    -4.660837    -1.156295     0.062393
 H    -5.694903    -2.250682     2.009190
 H    -4.487402    -2.374341     4.209332
 H    -2.184373    -1.377558     4.378100
 H    -1.144362    -0.271724     2.414482
 H     2.157053    -4.511951    -1.264743
 H     5.825145    -2.304989    -1.829749
 H     4.763195    -0.277771    -0.988588
 H    -0.896216    -3.422368     1.664554
 H    -0.350214    -4.297408    -1.592498
 H    -4.660848     1.156222    -0.062297
 H    -5.694976     2.250613    -2.009058
 H    -4.487535     2.374306    -4.209231
 H    -2.184497     1.377553    -4.378066
 H    -1.144424     0.271712    -2.414485

   91
Pd     1.219841    -0.385802     0.387587
 N     3.045871     0.414415    -0.459697
 C     4.211994    -0.364326    -0.380016
 C     4.338498    -1.338516     0.653933
 C     5.449069    -2.193924     0.727114
 H     5.507273    -2.920872     1.536053
 H     3.542794    -1.412421     1.391950
 C     6.484640    -2.118612    -0.226381
 H     7.346412    -2.778744    -0.166513
 C     6.372924    -1.168723    -1.263974
 H     7.151517    -1.101401    -2.022718
 C     5.264720    -0.311109    -1.346422
 H     5.195071     0.392681    -2.170993
 C     3.035153     1.700170    -1.001603
 C     1.811800     2.240617    -1.505782
 C     1.728821     3.553360    -1.994836
 C     2.857381     4.397746    -2.005957
 C     4.074367     3.887802    -1.503675
 C     4.169120     2.577296    -1.013231
 H     5.116063     2.225985    -0.614413
 H     4.959647     4.522196    -1.485896
 H     2.794033     5.412974    -2.389812
 H     0.778841     3.920783    -2.382655
 H     0.938742     1.589356    -1.505585
 P     1.244661     0.962530     2.320290
 C     1.577359     2.812679     2.241559
 C     2.396033     0.393963     3.703271
 H     3.435414     0.468011     3.367371
 H     2.249850     1.008654     4.599103
 H     2.167328    -0.649332     3.938711
 H     1.496559     3.268793     3.235407
 H     2.583288     2.975098     1.843020
 H     0.861864     3.281463     1.560635
 P     0.874535    -2.071096    -1.248774
 C     0.353035    -1.663540    -3.020971
 C     2.269050    -3.302341    -1.538036
 H     3.135119    -2.780776    -1.956245
 H     2.557288    -3.736833    -0.577971
 H     1.944916    -4.098974    -2.218098
 H     1.159427    -1.110494    -3.513695
 H    -0.547618    -1.040605    -3.008752
 H     0.144430    -2.582741    -3.581470
 C    -0.530410    -1.159108     1.248893
 C    -1.163312    -0.406785     2.319552
 C    -0.484803     0.718529     2.941983
 C    -1.071522     1.524274     3.927067
 C    -2.395929     1.306038     4.361301
 C    -3.110106     0.243681     3.760621
 C    -2.531412    -0.580029     2.786518
 C    -0.987782    -2.460246     0.784914
 C    -0.512396    -3.022840    -0.465763
 C    -0.991411    -4.234876    -0.988349
 C    -1.942295    -5.006377    -0.292044
 C    -2.349673    -4.545990     0.984422
 C    -1.893080    -3.332142     1.506907
 H    -0.495540     2.339691     4.365095
 H    -2.846112     1.927182     5.130434
 H    -4.140918     0.052790     4.060052
 H    -3.143281    -1.369701     2.364337
 H    -2.175718    -3.072266     2.520817
 H    -3.013182    -5.162512     1.590171
 H    -2.298392    -5.952403    -0.690309
 H    -0.598922    -4.604931    -1.936253
 K    -2.432296     0.561117    -0.279970
 O    -2.794109     3.158047    -0.947951
 C    -2.386857     3.752849    -2.229157
 C    -3.262834     4.163464     0.020508
 C    -3.729439     3.458464     1.291717
 C    -1.926714     2.641904    -3.170449
 H    -3.245426     4.296296    -2.655308
 H    -1.574608     4.473165    -2.045965
 H    -2.437149     4.859646     0.235979
 H    -4.088287     4.732096    -0.437457
 H    -2.913813     2.921457     1.789815
 H    -4.543235     2.754763     1.073288
 H    -4.113399     4.197635     2.006000
 H    -2.729666     1.911939    -3.333317
 H    -1.040234     2.130627    -2.776545
 H    -1.652448     3.064992    -4.144648
 C    -4.812989    -0.424760    -3.057974
 C    -4.046211    -1.548695    -2.683078
 C    -4.202322    -2.119680    -1.401851
 C    -5.132060    -1.562703    -0.497615
 C    -5.898782    -0.438156    -0.870313
 C    -5.738511     0.132308    -2.150796
 H    -6.623429    -0.019709    -0.175522
 H    -5.260561    -2.012204     0.483644
 H    -3.614979    -2.987246    -1.113452
 H    -3.343163    -1.989110    -3.386089
 H    -4.703541     0.001063    -4.053058
 H    -6.336189     0.992811    -2.442020

   54
 C    -3.964969    -1.335521    -1.199055
 C    -3.283109    -1.458283     0.050811
 C    -4.016540    -1.055368     1.209562
 C    -5.327010    -0.555925     1.123095
 C    -5.975358    -0.437459    -0.125857
 C    -5.274696    -0.836998    -1.285622
 C    -1.907229    -1.981722     0.136732
Pd    -0.184353    -0.558610     0.024603
 C     1.590353     0.641580    -0.019718
 C     2.857369    -0.022396     0.165257
 C     2.979979    -1.466209     0.037217
 C     4.191013    -2.158403     0.185690
 C     5.382872    -1.484131     0.518503
 C     5.297301    -0.081346     0.728143
 C     4.102490     0.620174     0.562931
 P     1.367690    -2.299397    -0.311331
 C     1.516177    -3.085350    -2.027318
 H     2.365828    -3.778604    -2.062907
 H     6.321264    -2.020311     0.640755
 P    -1.222665     1.542827     0.344760
 C    -2.678739     2.097237    -0.719314
 H    -3.543752     1.458017    -0.523667
 C     0.159158     2.716649    -0.050733
 C     1.445341     2.066075    -0.215818
 C     2.495845     2.969088    -0.655958
 C     2.292172     4.340572    -0.824183
 C     1.033336     4.946210    -0.576116
 C    -0.029486     4.097912    -0.203063
 H     0.884238     6.016516    -0.700631
 C    -1.819851     2.003152     2.080063
 H    -2.102770     3.062401     2.119089
 C     1.298934    -3.827958     0.798070
 H     1.376444    -3.499094     1.838853
 H    -1.001887     1.819713     2.783309
 H    -2.394274     2.000898    -1.771568
 H     0.341020    -4.340761     0.655467
 H     1.672616    -2.282065    -2.753405
 H    -1.021640     4.525544    -0.047128
 H     3.123686     4.955324    -1.173477
 H     3.463282     2.554734    -0.918639
 H    -1.687059    -2.682398    -0.681301
 H     4.208901    -3.242813     0.057490
 H     6.186071     0.466855     1.046046
 H     4.089711     1.679118     0.797280
 H    -2.679787     1.378929     2.344685
 H    -2.934201     3.143209    -0.509399
 H     2.122107    -4.517960     0.575444
 H    -3.537981    -1.146664     2.184640
 H    -5.849798    -0.262747     2.033784
 H    -5.754556    -0.759118    -2.261277
 H    -3.439795    -1.631224    -2.106768
 H     0.590742    -3.618494    -2.274968
 H    -6.990601    -0.051285    -0.192738
 H    -1.695098    -2.452561     1.107942

  135
 C    -2.393398    -5.261673     0.406852
 C    -3.630152    -4.619908     0.692934
 C    -4.777920    -5.097098     0.002042
 C    -4.693117    -6.142791    -0.935436
 C    -3.453628    -6.753730    -1.214782
 C    -2.304899    -6.306795    -0.528543
 C    -3.718026    -3.515003     1.689709
Pd    -3.287318    -1.475904     1.023537
 P    -3.694889    -1.678123    -1.302469
 C    -5.431928    -2.018650    -1.963879
 H    -6.147864    -1.314578    -1.527155
 C    -2.891118     0.595678     0.542270
 C    -2.821696     0.971657    -0.866228
 C    -3.239898     0.033071    -1.901596
 C    -3.252284     0.362279    -3.266170
 C    -2.811632     1.619492    -3.729050
 C    -2.294315     2.520452    -2.771431
 C    -2.284886     2.213977    -1.403710
 K    -5.660247     1.489097     0.680373
 C    -2.862890     2.994140     1.566414
 C    -2.779907     1.544093     1.654285
 C    -2.695247     1.062484     3.026115
 C    -2.595235     1.916252     4.135411
 C    -2.621551     3.317385     3.990812
 C    -2.782509     3.833613     2.687882
 P    -2.803955    -0.784719     3.219437
 C    -4.114157    -1.101193     4.539723
 H    -5.065032    -0.659600     4.226078
 H    -2.541074     3.972668     4.852671
 H    -2.824082     1.864111    -4.787060
 K     0.001563     0.007908     0.004872
 C     2.889179    -0.595524    -0.535368
 C     2.824029    -0.964868     0.875180
 C     3.248102    -0.022371     1.904632
 C     3.265233    -0.345388     3.270637
 C     2.823953    -1.599614     3.740927
 C     2.300895    -2.503789     2.789486
 C     2.286702    -2.203549     1.420409
 K     5.654430    -1.502218    -0.677034
 C     2.850693    -2.998534    -1.548382
 C     2.771378    -1.548653    -1.642615
 C     2.682915    -1.073184    -3.016386
 C     2.576134    -1.931819    -4.121264
 C     2.598811    -3.332349    -3.970269
 C     2.763422    -3.842983    -2.665597
 P     2.797246     0.772640    -3.219082
 C     4.107953     1.077285    -4.541747
 H     5.057738     0.635326    -4.225323
 H     2.513013    -3.991383    -4.828746
 P     3.703370     1.685278     1.295925
 C     5.443822     2.026656     1.947623
 H     6.155938     1.316833     1.513998
 H     2.840053    -1.839414     4.799991
 C     8.507339    -3.228185     0.425452
 C     7.462680    -4.169466     0.556900
 C     8.512830    -2.065165     1.226701
 C     7.470763    -1.841471     2.153454
Pd     3.287104     1.473170    -1.027485
 C     3.718274     3.508745    -1.704230
 C     3.631670     4.618353    -0.712554
 C     4.780479     5.099628    -0.026251
 C     4.696765     6.149533     0.906619
 C     3.457363     6.760721     1.185755
 C     2.307577     6.309763     0.503905
 C     2.394986     5.260456    -0.426877
 C     1.234299     1.343210    -4.107605
 H     1.124482     0.809568    -5.058539
 C     2.678695     2.870485     2.345195
 H     2.878266     2.704326     3.409821
 H     0.350958     1.155925    -3.491606
 H     4.247060     2.155962    -4.667671
 H     1.613671     2.708803     2.153056
 H     5.730815     3.042740     1.663318
 C    -8.502469     3.232935    -0.415585
 C    -7.453846     4.170442    -0.542408
 C    -8.512856     2.073907    -1.222554
 C    -7.471726     1.850394    -2.150428
 C    -1.239229    -1.354631     4.105239
 H    -1.131677    -0.826191     5.059319
 C    -2.664211    -2.857233    -2.352771
 H    -2.861145    -2.687979    -3.417409
 H    -0.356571    -1.160172     3.490474
 H    -4.250460    -2.181037     4.658405
 H    -1.600158    -2.693610    -2.156985
 H    -5.717465    -3.037919    -1.689679
 H     2.491849    -1.510769    -5.123188
 H     2.822169    -4.920080    -2.513223
 H     2.988664    -3.469956    -0.582230
 H     4.734243     3.407210    -2.115989
 H     3.013855     3.676173    -2.531182
 H     3.608654     0.395346     3.993228
 H     1.822828    -2.922894     0.755254
 H     1.883689    -3.453901     3.121532
 H     1.303107     2.418928    -4.302129
 H     3.809951     0.635899    -5.499372
 H     5.752560     4.663516    -0.256775
 H     5.598841     6.504250     1.401869
 H     3.392448     7.578073     1.899418
 H     1.346264     6.784084     0.692711
 H     1.498311     4.932101    -0.951817
 H     2.928283     3.900221     2.078383
 H     5.467335     1.935432     3.039565
 H    -2.513430     1.490879     5.135715
 H    -2.843825     4.911233     2.540280
 H    -2.998727     3.469666     0.601967
 H    -4.734400    -3.415994     2.101090
 H    -3.014226    -3.686017     2.516474
 H    -3.591417    -0.375866    -3.993423
 H    -1.825503     2.931451    -0.733433
 H    -1.877845     3.472961    -3.097481
 H    -1.303900    -2.431756     4.293288
 H    -3.817516    -0.665556     5.500377
 H    -5.750081    -4.661045     0.232347
 H    -5.594447    -6.494515    -1.434174
 H    -3.387899    -7.567883    -1.932021
 H    -1.343555    -6.780967    -0.717545
 H    -1.497512    -4.936439     0.935070
 H    -2.912071    -3.888487    -2.090145
 H    -5.451161    -1.918013    -3.055072
 C    -6.418542     2.783249    -2.272623
 C    -6.413540     3.945018    -1.470358
 H    -5.614734     4.673594    -1.580647
 H    -5.614806     2.610119    -2.983543
 H    -7.491987     0.971057    -2.789287
 H    -9.337898     1.369339    -1.150119
 H    -9.317376     3.419108     0.279565
 H    -7.460880     5.077541     0.056846
 C     6.421407    -3.943862     1.483741
 C     6.421476    -2.778110     2.280237
 H     9.323053    -3.414365    -0.268745
 H     7.473622    -5.079538    -0.037777
 H     9.334898    -1.357499     1.150766
 H     5.625819    -4.675404     1.597738
 H     7.487204    -0.958911     2.787948
 H     5.617054    -2.604660     2.990310

   54
 C    -4.347685    -0.536723    -0.580230
 C    -3.216833    -1.281455    -0.145991
 C    -3.244359    -1.772121     1.189902
 C    -4.330930    -1.521964     2.044120
 C    -5.437288    -0.768306     1.596635
 C    -5.436904    -0.281315     0.274509
 C    -2.054142    -1.546242    -1.045002
Pd    -0.257509    -0.445055    -0.501144
 C     1.507628     0.570449     0.063499
 C     2.638404    -0.220821     0.550299
 C     2.710192    -1.618182     0.216965
 C     3.765741    -2.431369     0.651993
 C     4.780746    -1.905749     1.478198
 C     4.707087    -0.552168     1.871754
 C     3.667921     0.271995     1.419637
 P     1.258663    -2.246565    -0.782120
 C     1.935664    -2.595246    -2.509130
 H     2.764582    -3.311131    -2.464255
 H     5.592314    -2.540222     1.825004
 P    -1.234768     1.687879    -0.127769
 C    -2.344170     2.502562    -1.413186
 H    -3.268783     1.925301    -1.496009
 C     0.304269     2.757303    -0.087784
 C     1.542754     2.030395    -0.022796
 C     2.741301     2.812286    -0.124327
 C     2.703022     4.209465    -0.223171
 C     1.471777     4.899385    -0.221074
 C     0.274142     4.156975    -0.162170
 H     1.444444     5.983969    -0.288527
 C    -2.138886     2.015437     1.492291
 H    -2.374577     3.081245     1.593561
 C     0.898014    -3.973305    -0.120713
 H     0.667493    -3.903953     0.946406
 H    -1.496879     1.703962     2.321080
 H    -1.828533     2.502818    -2.377939
 H     0.028526    -4.384159    -0.644227
 H     2.290337    -1.655492    -2.941602
 H    -0.677856     4.684175    -0.195032
 H     3.633958     4.765905    -0.312567
 H     3.700626     2.307316    -0.170337
 H    -2.265733    -1.276680    -2.089489
 H     3.800472    -3.482864     0.371719
 H     5.459840    -0.144135     2.543430
 H     3.616064     1.296167     1.774048
 H    -3.060132     1.425494     1.514909
 H    -2.587263     3.532889    -1.129821
 H     1.752515    -4.643786    -0.265242
 H    -2.394354    -2.347364     1.554004
 H    -4.318646    -1.914353     3.059550
 H    -6.291098     0.283180    -0.096038
 H    -4.382370    -0.185962    -1.611413
 H     1.136126    -2.997026    -3.140649
 H    -6.279878    -0.577259     2.257055
 H    -1.759006    -2.602898    -1.001993


