130
Int-1
Ru       -0.165522   -0.036523    0.362765
H        1.216856   -0.268098   -0.479987
P       -0.226874    1.983781   -0.865791
P        0.666153   -1.772455    1.770035
C       -3.906615   -2.271098   -1.586835
C       -2.788752   -2.542136   -2.416000
C       -2.991344   -3.415198   -3.531005
C       -4.264367   -3.966771   -3.778303
C       -5.344652   -3.667726   -2.935970
C       -5.168318   -2.816549   -1.833365
H       -6.008108   -2.578512   -1.173861
C       -1.496412   -1.894326   -2.052973
O       -1.442081   -1.284071   -0.951217
C       -0.283375   -1.925939   -2.948132
H       -0.533513   -1.636141   -3.981957
H        0.131034   -2.947355   -3.008179
H        0.466755   -1.244556   -2.520969
O       -1.902909   -3.695631   -4.324190
C        1.363697    2.418561   -1.839153
H        1.164945    3.402072   -2.312233
C        1.667918    1.396219   -2.956008
H        1.839302    0.413796   -2.476642
H        0.803300    1.275365   -3.633225
C        2.917593    1.792490   -3.770492
H        2.724579    2.746740   -4.301455
C        4.148484    1.956539   -2.861026
H        5.025588    2.283312   -3.449733
H        4.409295    0.972033   -2.424201
C        3.860758    2.952879   -1.723791
H        3.719990    3.964875   -2.154828
H        4.729031    3.022301   -1.042562
C        2.600594    2.560938   -0.922023
H        2.426266    3.313977   -0.133162
H        2.762348    1.594812   -0.407487
C       -0.401558    3.578572    0.192191
H        0.606358    3.625796    0.653838
C       -0.629839    4.903945   -0.569970
H        0.085163    5.018227   -1.404403
H       -1.642542    4.897696   -1.017334
C       -0.522739    6.119431    0.377261
H        0.511966    6.183579    0.769921
H       -0.702181    7.053010   -0.187896
C       -1.507786    6.000798    1.554430
H       -1.391662    6.858047    2.242985
H       -2.544690    6.048761    1.164912
C       -1.310020    4.671606    2.305471
H       -2.053421    4.571639    3.117550
H       -0.313363    4.676043    2.791748
C       -1.401560    3.452449    1.362856
H       -2.434651    3.369239    0.974424
H       -1.198149    2.527501    1.923436
C       -0.732641   -2.636102    2.760000
H       -1.254554   -1.762956    3.200932
C       -1.743706   -3.326390    1.815514
H       -2.017866   -2.649064    0.989041
H       -1.270458   -4.218148    1.355291
C       -3.004907   -3.775818    2.583836
H       -3.535644   -2.876544    2.953471
H       -3.700039   -4.291236    1.895540
C       -2.653310   -4.687346    3.774717
H       -3.564413   -4.951179    4.342885
C       -1.618398   -4.020988    4.700342
H       -2.072596   -3.129227    5.176538
C       -0.357776   -3.588158    3.918091
H        0.366639   -3.119476    4.608103
H        0.128570   -4.495678    3.511200
H       -1.335559   -4.705962    5.521394
H       -2.234687   -5.640620    3.392784
C        1.627161   -3.256739    1.002535
C        2.396266   -2.892902   -0.287110
C        2.563470   -4.038539    1.957246
H        0.800087   -3.936559    0.707982
C        2.960690   -4.151104   -0.978512
H        3.230238   -2.207522   -0.038103
H        1.740924   -2.328595   -0.968298
C        3.123609   -5.306378    1.274707
H        3.412561   -3.390120    2.247825
H        2.049277   -4.318054    2.891305
C        3.861349   -4.967393   -0.032976
H        3.518829   -3.863143   -1.888916
H        2.117562   -4.788520   -1.315379
H        3.796033   -5.840950    1.971266
H        2.286324   -5.998777    1.054041
H        4.212617   -5.890845   -0.529446
H        4.767156   -4.374569    0.205593
C        1.820262   -1.157034    3.158044
C        3.086442   -0.475392    2.590783
C        1.087958   -0.204693    4.131485
H        2.132219   -2.058899    3.721703
C        4.021127    0.018206    3.715168
H        2.769953    0.377943    1.961940
H        3.635953   -1.165376    1.925137
C        2.024600    0.292037    5.253447
H        0.703767    0.658477    3.555073
H        0.208763   -0.701402    4.579561
C        3.287564    0.963174    4.684165
H        4.901767    0.522190    3.275301
H        4.409185   -0.852907    4.281355
H        1.477865    0.991462    5.912644
H        2.324626   -0.566518    5.888098
H        3.960950    1.278155    5.502724
H        2.996109    1.884527    4.141603
C       -1.567406    2.024879   -2.239843
C       -2.988884    2.016954   -1.630393
C       -1.473301    3.071879   -3.375344
H       -1.413195    1.026331   -2.700923
C       -4.060869    1.757798   -2.709594
H       -3.189169    2.997546   -1.155342
H       -3.056429    1.256837   -0.833302
C       -2.539121    2.796915   -4.460072
H       -1.634252    4.086283   -2.968425
H       -0.470142    3.074619   -3.836411
C       -3.959658    2.770261   -3.865761
H       -5.068123    1.791142   -2.254770
H       -3.930931    0.731631   -3.107122
H       -2.467653    3.558872   -5.258534
H       -2.325492    1.819921   -4.939037
H       -4.701915    2.536976   -4.651345
H       -4.211505    3.781214   -3.486627
H       -6.325383   -4.106130   -3.148530
H       -4.417848   -4.635451   -4.627926
C       -2.081925   -4.582884   -5.435527
H       -1.094098   -4.657950   -5.911407
H       -2.407554   -5.585481   -5.102544
H       -2.810764   -4.178886   -6.162017
H        3.111772    1.033939   -4.551523
H       -3.740333   -1.604501   -0.735791
H        0.712128    0.892797    1.310710
N       -1.802634    0.175198    1.394195
N       -2.785935    0.224404    1.983412

130
TS-s7-1
Ru       -0.141258   -0.319318   -0.043558
H        1.258342   -0.603535   -1.158067
P       -0.444976    1.839557   -1.044018
P        0.647056   -1.851310    1.643093
C        0.764165   -1.110689   -4.584228
C        0.588270   -1.537260   -3.246113
C        1.700241   -1.464363   -2.298905
C        2.949454   -0.960784   -2.823253
C        3.067508   -0.516332   -4.135487
C        1.977388   -0.585391   -5.036750
H        2.088908   -0.253873   -6.072951
C       -0.723163   -1.921499   -2.745348
O       -1.079871   -1.646986   -1.559103
C       -1.748516   -2.580573   -3.651150
H       -1.298006   -3.360822   -4.285955
H       -2.208035   -1.831938   -4.323375
H       -2.549889   -3.011237   -3.032923
O        1.836313   -2.606071   -1.429949
C        1.161695    2.876678   -1.112404
H        0.835251    3.895568   -1.402074
C        2.161439    2.376051   -2.174137
H        2.474708    1.347970   -1.916557
H        1.692912    2.311224   -3.171751
C        3.401889    3.291824   -2.253280
H        3.092269    4.293619   -2.614420
C        4.093646    3.440120   -0.885960
H        4.945013    4.142055   -0.956844
H        4.515943    2.460757   -0.584815
C        3.095950    3.906781    0.189835
H        2.762296    4.938548   -0.042683
H        3.588010    3.953074    1.179013
C        1.869512    2.972553    0.258862
H        1.174258    3.316890    1.045738
H        2.190335    1.957579    0.557919
C       -1.566859    2.958123    0.058349
H       -1.307498    2.571987    1.064930
C       -1.302145    4.484669    0.055563
H       -0.236565    4.713900    0.220245
H       -1.567492    4.907719   -0.932477
C       -2.135775    5.190188    1.149844
H       -1.792004    4.836775    2.142748
H       -1.941257    6.278457    1.121450
C       -3.641617    4.907003    1.005731
H       -4.202656    5.375584    1.835108
H       -4.011491    5.376460    0.071915
C       -3.915753    3.393494    0.950657
H       -4.990642    3.200374    0.779610
H       -3.666308    2.933022    1.926837
C       -3.081166    2.713095   -0.154957
H       -3.379643    3.143942   -1.130273
H       -3.313131    1.637448   -0.192140
C       -0.443547   -3.429672    1.757274
H       -1.455500   -2.976672    1.701774
C       -0.282896   -4.315013    0.501337
H       -0.313793   -3.688616   -0.404177
H        0.713224   -4.801676    0.524251
C       -1.371450   -5.408093    0.449770
H       -2.360146   -4.922874    0.327453
H       -1.222917   -6.047173   -0.440696
C       -1.380716   -6.266517    1.728417
H       -2.202893   -7.004943    1.694540
C       -1.500324   -5.387532    2.987197
H       -2.491856   -4.892298    2.996014
C       -0.397485   -4.305759    3.030806
H       -0.510653   -3.700292    3.946700
H        0.585030   -4.810468    3.101642
H       -1.452333   -6.009984    3.900026
H       -0.438259   -6.848279    1.782422
C        2.459529   -2.471608    1.580057
C        3.438502   -1.390033    1.065110
C        3.027877   -3.127730    2.860674
H        2.399152   -3.242000    0.788397
C        4.830461   -1.993391    0.787762
H        3.543919   -0.586148    1.818630
H        3.024772   -0.918563    0.159407
C        4.423017   -3.736028    2.590668
H        3.121257   -2.370108    3.662683
H        2.353874   -3.910715    3.246440
C        5.405487   -2.687949    2.036923
H        5.522015   -1.205147    0.435384
H        4.745426   -2.731102   -0.034984
H        4.821281   -4.187107    3.518541
H        4.320126   -4.562445    1.859093
H        6.380139   -3.157125    1.807894
H        5.599818   -1.925767    2.818167
C        0.507321   -1.178238    3.433370
C        1.414380    0.040636    3.718420
C       -0.940234   -0.850321    3.865275
H        0.868285   -2.017813    4.061659
C        1.352255    0.456341    5.204783
H        1.090294    0.883234    3.077825
H        2.461763   -0.172802    3.445896
C       -1.005217   -0.464412    5.358324
H       -1.311277   -0.004078    3.260772
H       -1.622456   -1.695355    3.667622
C       -0.089855    0.734428    5.664950
H        1.989728    1.344696    5.370391
H        1.780992   -0.355792    5.826294
H       -2.049620   -0.235880    5.639628
H       -0.694951   -1.330435    5.977654
H       -0.111831    0.976114    6.743658
H       -0.475170    1.627720    5.133676
C       -1.058128    1.998819   -2.855844
C       -2.372011    1.228302   -3.131128
C       -1.141959    3.422582   -3.454040
H       -0.255354    1.450274   -3.391884
C       -2.659845    1.162206   -4.646171
H       -3.218326    1.741079   -2.640773
H       -2.325675    0.218256   -2.691719
C       -1.444842    3.370382   -4.968610
H       -1.947141    3.988108   -2.945700
H       -0.206307    3.984552   -3.285757
C       -2.726192    2.570325   -5.267769
H       -3.605029    0.617272   -4.828200
H       -1.856040    0.584798   -5.146227
H       -1.527034    4.396877   -5.371794
H       -0.588800    2.896085   -5.488720
H       -2.893720    2.506227   -6.358681
H       -3.598578    3.109642   -4.847235
H        4.037320   -0.144421   -4.486716
H        3.818768   -0.970269   -2.157028
C        2.303058   -3.766058   -2.141995
H        2.371847   -4.569588   -1.391932
H        1.593688   -4.066583   -2.937016
H        3.297198   -3.598017   -2.597459
H        4.109794    2.894865   -3.004131
H       -0.086450   -1.178358   -5.272247
H        0.529881    0.670729    1.003426
N       -1.842967   -0.305834    0.778823
N       -2.917539   -0.447464    1.159703

130
Int-s7-2
Ru       -0.030544   -0.060930    0.217373
H        0.916437   -0.590037   -1.426321
P       -0.300433    2.036910   -0.997843
P        0.729353   -1.857621    1.701700
C       -0.485587   -1.942643   -4.268593
C       -0.391647   -1.670395   -2.866524
C        0.962289   -1.363680   -2.296197
C        1.936384   -0.852225   -3.299658
C        1.752484   -1.080708   -4.644871
C        0.554392   -1.684751   -5.148490
H        0.444754   -1.885225   -6.217988
C       -1.557163   -1.652274   -2.043170
O       -1.600582   -1.138025   -0.861119
C       -2.894864   -2.175277   -2.556492
H       -2.795620   -3.140107   -3.080327
H       -3.357296   -1.460031   -3.260830
H       -3.574076   -2.294152   -1.699645
O        1.546725   -2.509678   -1.545058
C        1.181018    3.197611   -0.681430
H        1.000078    4.091191   -1.310646
C        2.504923    2.539591   -1.136736
H        2.663663    1.626329   -0.531824
H        2.441796    2.209936   -2.189814
C        3.703352    3.493684   -0.951922
H        3.581598    4.371400   -1.618521
C        3.815701    3.974959    0.506168
H        4.652409    4.689200    0.614951
H        4.052593    3.109277    1.156244
C        2.498068    4.615993    0.978262
H        2.321612    5.547919    0.404059
H        2.570738    4.913062    2.040640
C        1.294874    3.666671    0.786583
H        0.372092    4.180518    1.109618
H        1.412543    2.780014    1.438412
C       -1.768150    3.069576   -0.343129
H       -1.489787    3.177409    0.724665
C       -1.926611    4.496189   -0.918040
H       -0.967430    5.044173   -0.903374
H       -2.241933    4.437689   -1.977470
C       -2.987016    5.288240   -0.119643
H       -2.618307    5.438017    0.914839
H       -3.109748    6.296136   -0.557662
C       -4.338461    4.550586   -0.073983
H       -5.060043    5.113957    0.545628
H       -4.765342    4.513039   -1.096528
C       -4.175137    3.113529    0.457473
H       -5.144206    2.582091    0.433339
H       -3.858315    3.142972    1.518544
C       -3.128445    2.327455   -0.359627
H       -3.490848    2.231021   -1.398314
H       -3.021075    1.302119    0.030056
C       -0.326115   -3.458892    1.759768
H       -1.323569   -3.039697    2.008927
C       -0.456519   -4.146312    0.383519
H       -0.686978   -3.404519   -0.393463
H        0.516109   -4.597246    0.107535
C       -1.533195   -5.251832    0.419493
H       -2.521376   -4.785439    0.605334
H       -1.599674   -5.742254   -0.569224
C       -1.249008   -6.295356    1.515537
H       -2.063342   -7.041529    1.563852
C       -1.055457   -5.621714    2.886341
H       -2.012597   -5.167538    3.212564
C        0.029096   -4.522712    2.827729
H        0.161296   -4.078171    3.829220
H        0.993011   -4.996405    2.559563
H       -0.787570   -6.372308    3.652968
H       -0.327020   -6.853220    1.255110
C        2.531767   -2.446330    1.381449
C        3.421920   -1.347249    0.755913
C        3.273060   -3.093417    2.576331
H        2.376396   -3.213519    0.599260
C        4.783023   -1.920822    0.311117
H        3.587632   -0.535394    1.491364
H        2.904734   -0.896981   -0.105603
C        4.628544   -3.684424    2.127327
H        3.466260   -2.328011    3.353265
H        2.667362   -3.881446    3.053688
C        5.520239   -2.616018    1.469962
H        5.408672   -1.114530   -0.114751
H        4.609731   -2.649046   -0.505373
H        5.142142   -4.139031    2.994734
H        4.444944   -4.504903    1.405131
H        6.465240   -3.067008    1.115128
H        5.799309   -1.860027    2.231393
C        0.772204   -1.393545    3.560635
C        1.534889   -0.074450    3.826838
C       -0.599906   -1.386709    4.280311
H        1.365418   -2.211136    4.016523
C        1.702553    0.177654    5.340786
H        0.984466    0.767161    3.369972
H        2.526197   -0.096002    3.339946
C       -0.416017   -1.143197    5.794775
H       -1.245254   -0.594207    3.867218
H       -1.132707   -2.340788    4.126510
C        0.347150    0.165466    6.070710
H        2.221766    1.140174    5.503932
H        2.355727   -0.607919    5.772069
H       -1.403847   -1.126582    6.290689
H        0.143915   -1.992338    6.237260
H        0.493516    0.304668    7.157716
H       -0.262618    1.021453    5.720558
C       -0.399320    2.010804   -2.919854
C       -1.819033    1.660509   -3.426410
C        0.123693    3.265881   -3.663387
H        0.266647    1.163869   -3.184493
C       -1.839390    1.441300   -4.953761
H       -2.504088    2.495579   -3.185548
H       -2.204283    0.768356   -2.905567
C        0.105629    3.043861   -5.192806
H       -0.505878    4.142053   -3.415986
H        1.152043    3.516583   -3.354085
C       -1.297489    2.671531   -5.702547
H       -2.871813    1.214917   -5.280199
H       -1.223473    0.555627   -5.199365
H        0.477482    3.952383   -5.702030
H        0.811450    2.227687   -5.442635
H       -1.273263    2.482645   -6.791482
H       -1.982158    3.529991   -5.547222
H        2.541742   -0.788052   -5.348929
H        2.865331   -0.411913   -2.922626
C        1.771794   -3.664044   -2.365243
H        2.285446   -4.399466   -1.724915
H        0.820143   -4.097471   -2.728029
H        2.413766   -3.430086   -3.234660
H        4.635425    2.989213   -1.266432
H       -1.437816   -2.312954   -4.664424
H        1.246903    0.650363    0.834381
N       -1.000559    0.682697    1.577882
N       -1.634442    1.176147    2.402567

130
TS-s7-2
Ru        0.095492   -0.043080    0.162736
H        0.331730   -0.261690   -2.250842
P       -0.146403    2.120139   -1.018066
P        0.783991   -1.842976    1.659831
C       -1.180595   -2.746184   -3.997030
C       -0.879312   -1.945549   -2.848031
C        0.442916   -1.238605   -2.778120
C        1.112905   -1.093122   -4.100027
C        0.750406   -1.864179   -5.179034
C       -0.380787   -2.746093   -5.126841
H       -0.635214   -3.364977   -5.992266
C       -1.838649   -1.740934   -1.813596
O       -1.649582   -1.008105   -0.765838
C       -3.232023   -2.357747   -1.909470
H       -3.184322   -3.460938   -1.932913
H       -3.760776   -2.034460   -2.822415
H       -3.814990   -2.050322   -1.029157
O        1.411521   -1.865483   -1.776141
C        1.253705    3.314230   -0.515412
H        1.050309    4.257651   -1.059962
C        2.630095    2.773044   -0.969690
H        2.807009    1.803226   -0.466109
H        2.635222    2.566997   -2.055613
C        3.768717    3.754341   -0.620306
H        3.637062    4.690805   -1.199329
C        3.784544    4.086470    0.882736
H        4.578946    4.821464    1.107944
H        4.030822    3.169645    1.454561
C        2.414899    4.616899    1.343677
H        2.219417    5.592609    0.854702
H        2.419969    4.808757    2.432362
C        1.274556    3.635474    0.995951
H        0.310507    4.065205    1.320973
H        1.411341    2.693914    1.560423
C       -1.711024    3.044768   -0.427977
H       -1.503385    3.141207    0.656152
C       -1.940503    4.474389   -0.969025
H       -1.024668    5.087612   -0.889025
H       -2.202116    4.429417   -2.043472
C       -3.094883    5.160948   -0.203899
H       -2.795228    5.294614    0.854746
H       -3.264122    6.174442   -0.612560
C       -4.390965    4.330539   -0.264552
H       -5.185474    4.818929    0.328976
H       -4.753842    4.302997   -1.311837
C       -4.157101    2.889005    0.226588
H       -5.082619    2.293144    0.123833
H       -3.908438    2.901104    1.306119
C       -3.008647    2.206468   -0.545637
H       -3.298888    2.114832   -1.608262
H       -2.846680    1.178813   -0.180601
C       -0.278147   -3.439228    1.686813
H       -1.287735   -3.020498    1.879652
C       -0.328302   -4.137099    0.310951
H       -0.520320   -3.406398   -0.489124
H        0.660207   -4.588990    0.096234
C       -1.394699   -5.253027    0.293848
H       -2.395583   -4.795576    0.424606
H       -1.401725   -5.748049   -0.694704
C       -1.157833   -6.287246    1.409686
H       -1.965710   -7.041729    1.418918
C       -1.045090   -5.604008    2.784800
H       -2.023115   -5.158807    3.056601
C        0.028944   -4.492993    2.778997
H        0.099224   -4.040738    3.783109
H        1.012030   -4.956895    2.568846
H       -0.810494   -6.347472    3.568970
H       -0.217605   -6.836427    1.201538
C        2.583618   -2.465837    1.371886
C        3.488233   -1.412764    0.687928
C        3.307517   -3.064043    2.603502
H        2.423103   -3.286727    0.645120
C        4.861089   -2.008959    0.309140
H        3.639442   -0.556963    1.374636
H        2.984905   -1.020250   -0.210796
C        4.667987   -3.678034    2.204923
H        3.491070   -2.266251    3.348815
H        2.690077   -3.828515    3.104330
C        5.573448   -2.640739    1.518112
H        5.493008   -1.224937   -0.147259
H        4.716155   -2.782440   -0.471495
H        5.163241   -4.095156    3.101206
H        4.496236   -4.529603    1.516325
H        6.527689   -3.105190    1.208596
H        5.831732   -1.846488    2.247139
C        0.795911   -1.380592    3.516750
C        1.588769   -0.084137    3.806291
C       -0.594471   -1.339350    4.199622
H        1.354078   -2.215027    3.985698
C        1.726725    0.152657    5.325757
H        1.071989    0.775609    3.345112
H        2.590058   -0.129307    3.341428
C       -0.441453   -1.108502    5.719492
H       -1.206812   -0.527605    3.774014
H       -1.148648   -2.277877    4.026052
C        0.353347    0.175469    6.021693
H        2.269194    1.098544    5.508769
H        2.346025   -0.654484    5.767107
H       -1.440462   -1.064333    6.190567
H        0.081371   -1.976159    6.171388
H        0.476932    0.304025    7.112780
H       -0.222049    1.050988    5.662119
C       -0.090616    2.236416   -2.940800
C       -1.402242    1.730850   -3.590051
C        0.314941    3.602301   -3.550121
H        0.706871    1.514795   -3.208531
C       -1.271754    1.636500   -5.124762
H       -2.219190    2.436224   -3.346165
H       -1.688641    0.748334   -3.176974
C        0.446231    3.498485   -5.086674
H       -0.443760    4.367704   -3.304344
H        1.271811    3.959049   -3.133061
C       -0.847966    2.981955   -5.739252
H       -2.231959    1.298526   -5.555516
H       -0.524313    0.858332   -5.369648
H        0.725523    4.485664   -5.499392
H        1.278111    2.808420   -5.331275
H       -0.713784    2.883732   -6.832102
H       -1.654174    3.728131   -5.587462
H        1.325021   -1.789847   -6.111259
H        1.981390   -0.426104   -4.155060
C        1.877477   -3.160668   -2.185611
H        2.578112   -3.513106   -1.412884
H        1.042810   -3.880414   -2.282781
H        2.410838   -3.103990   -3.151674
H        4.738846    3.326879   -0.933688
H       -2.090474   -3.357212   -3.989439
H        1.434154    0.594312    0.727158
N       -0.805156    0.757737    1.509343
N       -1.414831    1.280620    2.336795

130
Int-s7-3
Ru        0.042772   -0.153197    0.211876
P        2.454257   -0.140836    0.144190
P       -2.343911    0.429928    0.036708
C       -1.006780   -5.054224    3.074425
C       -0.661408   -3.772270    2.579487
C       -0.358681   -2.732426    3.495166
C       -0.403760   -2.985731    4.872690
C       -0.747829   -4.260629    5.356236
C       -1.051121   -5.294566    4.453504
H       -1.321021   -6.288482    4.825453
C       -0.598225   -3.497517    1.119198
O       -0.325867   -2.360965    0.672952
C       -0.860080   -4.629565    0.135277
H       -1.894552   -5.006287    0.229700
H       -0.186150   -5.484845    0.319172
H       -0.705821   -4.261960   -0.888554
C        3.339201   -1.793207    0.503617
H        4.427229   -1.587495    0.444493
C        2.997577   -2.874271   -0.547659
H        1.902136   -3.027300   -0.562265
H        3.281641   -2.539553   -1.561212
C        3.709831   -4.208205   -0.235536
H        4.804821   -4.067243   -0.337877
C        3.399713   -4.705508    1.188048
H        3.954345   -5.638209    1.400273
H        2.322566   -4.956078    1.262942
C        3.734605   -3.627365    2.234384
H        4.830822   -3.459306    2.244341
H        3.460992   -3.974248    3.247566
C        3.015129   -2.297525    1.928240
H        3.290508   -1.542350    2.685195
H        1.923448   -2.430321    2.019966
C        3.234413    1.028528    1.437367
H        2.621977    0.768340    2.324242
C        4.725356    0.813912    1.794048
H        4.933613   -0.239876    2.044760
H        5.360717    1.062263    0.922729
C        5.137385    1.707053    2.986126
H        4.571009    1.390291    3.884609
H        6.207131    1.549550    3.218082
C        4.859355    3.195775    2.710208
H        5.118661    3.806783    3.594315
H        5.515988    3.541039    1.886270
C        3.389060    3.419072    2.311200
H        3.214929    4.481066    2.056865
H        2.734175    3.189276    3.174853
C        2.986838    2.522463    1.121392
H        3.593045    2.816213    0.242637
H        1.929131    2.687238    0.849876
C       -3.101572   -0.355267   -1.539809
H       -2.401990   -0.025386   -2.331616
C       -3.030658   -1.899163   -1.500294
H       -2.015569   -2.222143   -1.218413
H       -3.719947   -2.283223   -0.720210
C       -3.430026   -2.508717   -2.861428
H       -2.677332   -2.210695   -3.617101
H       -3.397609   -3.612738   -2.803338
C       -4.825161   -2.037134   -3.311149
H       -5.067327   -2.442518   -4.310742
C       -4.914761   -0.500081   -3.319504
H       -4.236125   -0.097576   -4.097618
C       -4.521569    0.096258   -1.949111
H       -4.598219    1.197581   -1.989211
H       -5.253949   -0.248676   -1.193935
H       -5.935302   -0.172794   -3.592128
H       -5.588905   -2.439999   -2.615363
C       -3.666598   -0.046264    1.360247
C       -3.080905   -0.272407    2.769359
C       -4.916517    0.862154    1.459431
H       -4.000748   -1.036328    0.985144
C       -4.125891   -0.909446    3.707466
H       -2.769834    0.702114    3.193431
H       -2.167443   -0.884919    2.714506
C       -5.974704    0.240069    2.398965
H       -4.619265    1.849926    1.862070
H       -5.367667    1.048223    0.470584
C       -5.400062   -0.049328    3.798043
H       -3.688126   -1.060216    4.711135
H       -4.390560   -1.917374    3.328351
H       -6.850996    0.911009    2.470778
H       -6.340878   -0.705883    1.951435
H       -6.160932   -0.541983    4.431266
H       -5.153409    0.911294    4.293307
C       -2.642852    2.288061   -0.285046
C       -2.134931    3.166208    0.879593
C       -2.017518    2.760698   -1.618043
H       -3.741635    2.410018   -0.356858
C       -2.420238    4.661822    0.629692
H       -1.044980    3.010641    0.986925
H       -2.589995    2.850986    1.836036
C       -2.292660    4.259016   -1.870647
H       -0.925486    2.583471   -1.580983
H       -2.403737    2.170276   -2.467534
C       -1.808084    5.134862   -0.701186
H       -2.029453    5.262767    1.471464
H       -3.516235    4.828621    0.607125
H       -1.810046    4.571464   -2.815022
H       -3.382122    4.410875   -2.010690
H       -2.054374    6.196758   -0.885793
H       -0.703457    5.073770   -0.634464
C        3.124974    0.286998   -1.593293
C        2.539145    1.581717   -2.208074
C        4.661222    0.266585   -1.772270
H        2.707895   -0.550643   -2.189303
C        2.906783    1.686999   -3.702935
H        2.944014    2.464043   -1.678377
H        1.445360    1.606570   -2.077655
C        5.041771    0.379463   -3.265654
H        5.107840    1.118386   -1.223570
H        5.105131   -0.651170   -1.347428
C        4.431487    1.634761   -3.916039
H        2.491440    2.620446   -4.125844
H        2.426438    0.852271   -4.250177
H        6.142470    0.383062   -3.372876
H        4.676902   -0.521674   -3.797882
H        4.674451    1.664707   -4.994150
H        4.892897    2.536616   -3.465214
H       -0.780156   -4.449915    6.434736
H       -0.168170   -2.180411    5.576665
H        3.422699   -4.969074   -0.984874
H       -1.244632   -5.867620    2.381975
H        0.251031    1.384235   -0.056338
N        0.026291   -0.544612   -1.610163
N        0.053674   -0.810012   -2.733615
O        0.222748    0.046462    2.236682
C        0.075084    1.220301    2.985926
H        0.398891    1.032578    4.034686
H        0.683617    2.072165    2.605728
H       -0.975361    1.590225    3.036483
H       -0.096544   -1.732405    3.104581

130
Int-s7-1t
Ru        0.098822    0.310864    0.347964
H        0.056473    0.314071    2.047977
P        2.473726   -0.001338    0.369718
P       -2.272595    0.759607    0.223097
C       -1.116398   -5.115715    1.424835
C       -0.796651   -4.092061    0.496800
C       -0.925923   -4.404570   -0.899660
C       -1.383062   -5.679830   -1.294813
C       -1.710939   -6.651405   -0.340196
C       -1.575137   -6.375035    1.028404
H       -1.824608   -7.130664    1.778731
C       -0.337001   -2.777031    1.010324
O       -0.358225   -1.760627    0.263289
C        0.157729   -2.673706    2.436294
H        1.018230   -3.344151    2.607661
H       -0.625513   -2.956649    3.160535
H        0.442381   -1.624168    2.611991
O       -0.560693   -3.448403   -1.796380
C        3.397442    0.469939    1.982853
H        4.474444    0.301468    1.779545
C        2.981830   -0.419502    3.174669
H        1.900423   -0.261480    3.350596
H        3.118236   -1.491025    2.939484
C        3.769253   -0.065804    4.454200
H        4.845214   -0.284883    4.298051
C        3.601168    1.419091    4.822642
H        4.205800    1.668396    5.714244
H        2.543346    1.606679    5.094046
C        3.985256    2.323973    3.638495
H        5.072355    2.225133    3.442445
H        3.808322    3.385835    3.890317
C        3.200888    1.957010    2.360361
H        3.514724    2.622905    1.537943
H        2.121871    2.139881    2.521268
C        3.371620    1.143385   -0.885509
H        3.127471    2.136522   -0.455972
C        4.912924    1.047049   -0.964911
H        5.375098    1.046427    0.038283
H        5.197140    0.091739   -1.447602
C        5.491782    2.212367   -1.799297
H        5.284234    3.166849   -1.275627
H        6.592405    2.120539   -1.859742
C        4.875428    2.261658   -3.209725
H        5.266070    3.131929   -3.768957
H        5.190072    1.359663   -3.772944
C        3.336887    2.303488   -3.143485
H        2.907716    2.280194   -4.162516
H        3.014571    3.261395   -2.689087
C        2.769052    1.136373   -2.309376
H        3.016309    0.182518   -2.814825
H        1.668512    1.182081   -2.251257
C       -2.929217    0.635708   -1.577432
H       -2.213951    1.323628   -2.074402
C       -2.683816   -0.762730   -2.183321
H       -1.663978   -1.102101   -1.934787
H       -3.393365   -1.489355   -1.736740
C       -2.887749   -0.735245   -3.714096
H       -2.102459   -0.094760   -4.163305
H       -2.744545   -1.748133   -4.135934
C       -4.274474   -0.192492   -4.109633
H       -4.363343   -0.119764   -5.209520
C       -4.548920    1.174213   -3.455078
H       -3.853774    1.930476   -3.871392
C       -4.363496    1.103378   -1.922981
H       -4.605058    2.079056   -1.467567
H       -5.098277    0.378436   -1.525159
H       -5.571265    1.519381   -3.697533
H       -5.052525   -0.910096   -3.778911
C       -3.372505   -0.459196    1.222858
C       -2.836231   -0.737579    2.646241
C       -4.886200   -0.153251    1.318272
H       -3.248794   -1.392889    0.634319
C       -3.562673   -1.938685    3.284595
H       -3.010906    0.153004    3.280595
H       -1.744030   -0.871968    2.626213
C       -5.647377   -1.336182    1.960417
H       -5.036558    0.750142    1.941663
H       -5.323288    0.069909    0.332771
C       -5.084143   -1.701854    3.346101
H       -3.164755   -2.128235    4.299573
H       -3.358452   -2.851034    2.687226
H       -6.723748   -1.093201    2.034737
H       -5.570868   -2.216345    1.290799
H       -5.602940   -2.590685    3.750400
H       -5.288665   -0.870972    4.050556
C       -2.905885    2.485861    0.749560
C       -2.422003    2.880643    2.165590
C       -2.581563    3.616067   -0.261030
H       -4.010099    2.378363    0.783354
C       -3.029189    4.228052    2.612229
H       -1.318970    2.944708    2.167345
H       -2.683196    2.098067    2.898052
C       -3.211868    4.951845    0.189317
H       -1.489294    3.745625   -0.340300
H       -2.942620    3.362646   -1.272170
C       -2.739417    5.350268    1.599287
H       -2.639761    4.498225    3.611274
H       -4.126928    4.114578    2.724075
H       -2.963113    5.744382   -0.540359
H       -4.317221    4.856996    0.186570
H       -3.223181    6.292294    1.917794
H       -1.649434    5.545122    1.573514
C        3.055886   -1.801614    0.079182
C        2.708394   -2.292188   -1.345282
C        4.519052   -2.162008    0.431937
H        2.406843   -2.362355    0.782962
C        2.949093   -3.809684   -1.484067
H        3.351942   -1.763508   -2.074666
H        1.662978   -2.036653   -1.587564
C        4.757548   -3.682404    0.293893
H        5.209661   -1.628027   -0.245816
H        4.775428   -1.842831    1.456749
C        4.393707   -4.192946   -1.112601
H        2.721116   -4.134039   -2.516920
H        2.244329   -4.351636   -0.822201
H        5.811356   -3.919114    0.531091
H        4.140638   -4.215335    1.045672
H        4.534270   -5.288004   -1.172990
H        5.089097   -3.745672   -1.851009
H       -2.068878   -7.630668   -0.674872
H       -1.482283   -5.917686   -2.355723
C       -0.564695   -3.782399   -3.191090
H       -0.195827   -2.882662   -3.701863
H        0.107027   -4.634951   -3.401606
H       -1.585005   -4.014323   -3.547324
H        3.436708   -0.711461    5.288419
H       -1.013734   -4.904809    2.491947
H        0.083936    0.158703   -1.329814
N        0.480667    2.111424    0.259461
N        0.761970    3.226996    0.196265

130
TS-s7-3
Ru       -0.166399   -0.331876   -0.118115
H        1.244711   -0.659101   -1.104292
P       -0.672326    1.868666   -0.932362
P       -0.257329   -2.344280    1.211607
C        0.664288   -0.897041   -4.732684
C        0.490293   -1.451113   -3.437841
C        1.653440   -1.668103   -2.607171
C        2.922677   -1.253867   -3.106743
C        3.048844   -0.674269   -4.368720
C        1.921989   -0.514773   -5.206525
H        2.027525   -0.083510   -6.205985
C       -0.865545   -1.600623   -2.899793
O       -1.184293   -1.242303   -1.723890
C       -1.976986   -2.161436   -3.761222
H       -1.808456   -1.992691   -4.835474
H       -2.949138   -1.745351   -3.456194
H       -2.015427   -3.257109   -3.614164
O        1.646183   -2.784797   -1.738090
C        0.703722    2.870751   -1.803018
H        0.320134    3.903799   -1.920433
C        1.048101    2.320210   -3.200106
H        1.370535    1.268954   -3.097502
H        0.159306    2.319495   -3.856856
C        2.172550    3.136768   -3.871628
H        1.811820    4.167161   -4.067067
C        3.433550    3.198956   -2.991455
H        4.210012    3.823685   -3.470805
H        3.857008    2.179385   -2.898208
C        3.098811    3.733785   -1.587572
H        2.781006    4.793462   -1.666700
H        3.997997    3.724025   -0.944432
C        1.976104    2.909512   -0.923984
H        1.756188    3.317686    0.078505
H        2.321863    1.870352   -0.766052
C       -1.103078    3.036896    0.537544
H       -0.331094    2.737172    1.273991
C       -0.957845    4.564166    0.326373
H        0.026871    4.820428   -0.099023
H       -1.717880    4.922477   -0.393945
C       -1.132520    5.319998    1.663889
H       -0.301294    5.041471    2.341984
H       -1.043030    6.408495    1.490141
C       -2.472591    4.990843    2.345509
H       -2.545425    5.507121    3.320454
H       -3.303463    5.378400    1.721839
C       -2.642215    3.470763    2.521684
H       -3.631812    3.240345    2.958179
H       -1.885193    3.096953    3.239380
C       -2.475596    2.729391    1.179165
H       -3.281883    3.060630    0.495519
H       -2.590658    1.639833    1.315767
C       -1.604618   -3.567902    0.559310
H       -2.340224   -2.859964    0.128375
C       -1.072320   -4.443820   -0.598493
H       -0.522298   -3.823396   -1.323456
H       -0.343920   -5.175835   -0.195617
C       -2.211816   -5.223878   -1.287887
H       -2.913498   -4.504433   -1.755856
H       -1.802639   -5.846953   -2.105618
C       -2.985302   -6.096726   -0.283617
H       -3.828156   -6.610388   -0.781674
C       -3.491522   -5.250757    0.897736
H       -4.251883   -4.531642    0.532102
C       -2.347563   -4.466070    1.579185
H       -2.767333   -3.875936    2.409738
H       -1.639916   -5.188254    2.030823
H       -3.999665   -5.890775    1.642644
H       -2.313743   -6.891590    0.098514
C        1.317731   -3.419516    1.388724
C        2.592371   -2.548883    1.490213
C        1.302450   -4.529849    2.463619
H        1.360069   -3.903695    0.394839
C        3.863444   -3.420108    1.425987
H        2.597068   -1.978543    2.438119
H        2.585493   -1.808990    0.671626
C        2.585987   -5.388162    2.395361
H        1.228641   -4.082218    3.472955
H        0.417661   -5.180739    2.345146
C        3.855246   -4.522954    2.501250
H        4.761435   -2.783776    1.532877
H        3.928656   -3.890965    0.424285
H        2.569016   -6.153968    3.193192
H        2.601769   -5.938835    1.432904
H        4.758553   -5.155367    2.418111
H        3.892130   -4.053452    3.504859
C       -0.842828   -2.096153    3.021012
C        0.178620   -1.439120    3.979889
C       -2.186820   -1.336677    3.110350
H       -1.007199   -3.131262    3.383447
C       -0.353668   -1.444875    5.430283
H        0.371805   -0.398546    3.667114
H        1.149807   -1.960356    3.945926
C       -2.733615   -1.335118    4.553622
H       -2.023943   -0.298870    2.767068
H       -2.937625   -1.761802    2.420329
C       -1.715103   -0.734661    5.540019
H        0.385381   -0.967560    6.099855
H       -0.460078   -2.493290    5.776306
H       -3.686162   -0.774748    4.593108
H       -2.969291   -2.374976    4.859474
H       -2.098832   -0.789836    6.575608
H       -1.580544    0.340894    5.309986
C       -2.094513    1.940921   -2.209278
C       -3.358880    1.154742   -1.787488
C       -2.481973    3.348508   -2.719048
H       -1.645005    1.387590   -3.061199
C       -4.362401    1.062463   -2.956801
H       -3.851027    1.667639   -0.941623
H       -3.077241    0.151511   -1.427589
C       -3.492308    3.260515   -3.884324
H       -2.941125    3.921202   -1.890404
H       -1.591576    3.917019   -3.040740
C       -4.744701    2.455611   -3.491134
H       -5.265825    0.512125   -2.634419
H       -3.912076    0.472264   -3.781104
H       -3.773022    4.277265   -4.216265
H       -3.001687    2.772836   -4.750912
H       -5.432158    2.367362   -4.352552
H       -5.297224    3.006014   -2.703436
H        4.040328   -0.373512   -4.725309
H        3.803014   -1.436031   -2.482164
C        2.074035   -3.985110   -2.419905
H        2.019901   -4.790562   -1.671249
H        1.406724   -4.224698   -3.270410
H        3.111063   -3.897396   -2.791780
H        2.410056    2.694250   -4.856769
H       -0.218498   -0.718047   -5.356180
N        0.850549    0.475659    1.196647
N        1.524154    0.990666    1.976774
H       -1.638841   -0.123280    0.607404

130
Int-s7-1c
Ru        1.209791    0.216592   -0.707822
H        2.782293    0.089426   -1.144170
P        1.693049    2.428004   -0.259421
P        1.670487   -1.340073    1.230833
C       -0.368506   -0.534441   -4.909942
C        0.658598   -1.073175   -4.111936
C        2.010903   -0.800004   -4.452920
C        2.303316    0.050155   -5.535893
C        1.257714    0.609503   -6.288873
C       -0.079910    0.317486   -5.986948
H       -0.891927    0.748839   -6.579399
C        0.309435   -1.913365   -2.924713
O        0.627176   -1.615694   -1.751309
C       -0.490789   -3.173676   -3.170083
H        0.119181   -3.894535   -3.745039
H       -1.380058   -2.959444   -3.788633
H       -0.799089   -3.626794   -2.216853
O        2.954703   -1.455626   -3.712518
C        3.522060    2.952751   -0.491991
H        3.555333    4.031543   -0.240254
C        4.027349    2.782776   -1.942119
H        3.911817    1.718601   -2.223450
H        3.409041    3.365765   -2.646853
C        5.502162    3.216927   -2.087607
H        5.583066    4.306540   -1.898449
C        6.421245    2.467867   -1.106397
H        7.463434    2.824996   -1.201342
H        6.430584    1.390205   -1.365520
C        5.922091    2.632132    0.339879
H        6.021353    3.694785    0.640962
H        6.554438    2.050183    1.036069
C        4.449483    2.193746    0.478681
H        4.118407    2.329707    1.524616
H        4.354564    1.114175    0.255818
C        1.294214    3.133214    1.493863
H        1.646014    2.299941    2.130751
C        2.019574    4.414483    1.973458
H        3.112695    4.322918    1.850318
H        1.705924    5.281971    1.364824
C        1.703224    4.706195    3.458226
H        2.118855    3.890102    4.083025
H        2.216096    5.633707    3.774396
C        0.188684    4.813402    3.711287
H       -0.011937    4.985609    4.784871
H       -0.208404    5.696894    3.171876
C       -0.542123    3.551426    3.218790
H       -1.633981    3.656224    3.358224
H       -0.228202    2.684781    3.834740
C       -0.228951    3.257548    1.736135
H       -0.635151    4.083283    1.120486
H       -0.747622    2.338340    1.416845
C        0.012047   -1.691313    2.178043
H       -0.422479   -0.671828    2.215569
C       -0.948704   -2.553889    1.323654
H       -0.970085   -2.192756    0.281885
H       -0.573339   -3.596470    1.295372
C       -2.373731   -2.560019    1.915621
H       -2.785945   -1.533453    1.868403
H       -3.036069   -3.192277    1.295275
C       -2.372773   -3.053532    3.374055
H       -3.390591   -3.001978    3.802833
C       -1.388062   -2.239709    4.232980
H       -1.750478   -1.195029    4.310605
C        0.035036   -2.231092    3.628436
H        0.695173   -1.629654    4.276302
H        0.435362   -3.263167    3.646059
H       -1.353682   -2.636827    5.264736
H       -2.076029   -4.121759    3.397026
C        2.138741   -3.074442    0.543183
C        3.272116   -3.028169   -0.511398
C        2.398342   -4.195622    1.574972
H        1.217018   -3.334220   -0.013282
C        3.440177   -4.399039   -1.200099
H        4.231001   -2.757164   -0.029721
H        3.059274   -2.241312   -1.253274
C        2.581256   -5.565117    0.882755
H        3.310637   -3.968817    2.160285
H        1.570183   -4.261750    2.301369
C        3.694811   -5.523853   -0.179226
H        4.263876   -4.354682   -1.937234
H        2.520650   -4.631012   -1.774440
H        2.794306   -6.343872    1.638766
H        1.627264   -5.853246    0.396739
H        3.778159   -6.502151   -0.688097
H        4.668079   -5.346589    0.321636
C        2.880108   -1.150337    2.713887
C        4.381152   -1.245809    2.360678
C        2.618900    0.149774    3.503414
H        2.642776   -2.008010    3.374503
C        5.260906   -1.162239    3.628758
H        4.650921   -0.428976    1.665892
H        4.600112   -2.189330    1.834977
C        3.477433    0.225240    4.782928
H        2.873347    1.005873    2.851964
H        1.548476    0.259473    3.754923
C        4.976163    0.107433    4.451031
H        6.329197   -1.208010    3.346576
H        5.066323   -2.052906    4.259786
H        3.273061    1.169794    5.320608
H        3.186512   -0.595619    5.468994
H        5.581019    0.112218    5.376525
H        5.287712    0.996558    3.867219
C        0.860532    3.624766   -1.524313
C       -0.633743    3.346296   -1.802978
C        1.090798    5.137826   -1.303851
H        1.397227    3.329546   -2.448537
C       -1.136983    4.175211   -3.004334
H       -1.244240    3.591410   -0.914044
H       -0.774126    2.273602   -2.005553
C        0.594192    5.960977   -2.513495
H        0.535932    5.468324   -0.404768
H        2.156482    5.362361   -1.118341
C       -0.889748    5.682321   -2.811693
H       -2.212716    3.978331   -3.168048
H       -0.612350    3.835211   -3.919955
H        0.758520    7.038812   -2.327350
H        1.201622    5.699327   -3.403276
H       -1.217636    6.248960   -3.702937
H       -1.504011    6.047330   -1.963895
H        1.500290    1.270015   -7.128007
H        3.339852    0.270087   -5.801444
C        4.328837   -1.109438   -3.918107
H        4.890955   -1.685824   -3.170618
H        4.668399   -1.389201   -4.933317
H        4.493246   -0.030259   -3.749832
H        5.836943    3.058268   -3.130052
H       -1.410794   -0.749414   -4.650621
H        1.094009    0.909049   -2.154954
N       -0.698886    0.378649   -0.338467
N       -1.835976    0.433859   -0.193943

130
TS-s7-4
Ru        1.426868   -0.001755   -0.842106
H        3.023168   -0.240483   -1.072152
P        1.875949    2.236744   -0.377625
P        1.766310   -1.329678    1.167145
C       -0.748337   -0.803452   -4.844825
C        0.275599   -1.036207   -3.893625
C        1.467975   -0.168874   -3.862700
C        1.456247    0.971600   -4.775085
C        0.400161    1.170272   -5.649171
C       -0.708648    0.282195   -5.715347
H       -1.519353    0.459508   -6.426836
C        0.156475   -2.033427   -2.867231
O        0.723175   -1.919433   -1.723375
C       -0.728548   -3.254996   -3.047635
H       -0.285472   -4.098041   -2.495021
H       -0.854173   -3.535759   -4.103861
H       -1.726462   -3.065613   -2.611077
O        2.622315   -0.987748   -3.820284
C        3.689111    2.890486   -0.427626
H        3.632660    3.907288    0.006988
C        4.289697    3.030766   -1.844635
H        4.294546    2.041939   -2.337313
H        3.674140    3.696065   -2.473410
C        5.731683    3.583284   -1.800385
H        5.711591    4.618792   -1.404473
C        6.649352    2.723070   -0.914964
H        7.664918    3.157546   -0.872068
H        6.754615    1.716471   -1.366588
C        6.059337    2.584314    0.498675
H        6.062618    3.576845    0.993034
H        6.691678    1.923572    1.120325
C        4.617473    2.037311    0.456754
H        4.218017    1.974667    1.484736
H        4.612744    1.004676    0.058822
C        1.255829    2.889370    1.338354
H        1.466384    2.009577    1.972782
C        1.983670    4.099441    1.973682
H        3.073866    3.930121    2.012506
H        1.825776    5.005270    1.358643
C        1.475037    4.368995    3.408633
H        1.751147    3.511265    4.054310
H        1.992428    5.252826    3.825679
C       -0.050605    4.561760    3.455116
H       -0.388390    4.713287    4.496742
H       -0.319830    5.482794    2.900036
C       -0.771566    3.360381    2.819699
H       -1.865344    3.520866    2.814626
H       -0.589517    2.457057    3.436109
C       -0.276903    3.101992    1.380283
H       -0.550353    3.973685    0.756213
H       -0.801432    2.230717    0.956602
C        0.080811   -1.587134    2.095336
H       -0.339385   -0.561704    2.053938
C       -0.873244   -2.502234    1.288135
H       -0.859100   -2.238794    0.218514
H       -0.515392   -3.548310    1.361719
C       -2.311078   -2.434754    1.843362
H       -2.702352   -1.407683    1.707179
H       -2.970702   -3.100673    1.256847
C       -2.354936   -2.814855    3.334804
H       -3.379646   -2.705173    3.734939
C       -1.367357   -1.963972    4.153580
H       -1.706090   -0.908458    4.151767
C        0.067288   -2.028851    3.579900
H        0.729745   -1.405073    4.202770
H        0.439344   -3.067562    3.669402
H       -1.360350   -2.288297    5.210868
H       -2.087731   -3.885222    3.445146
C        2.212525   -3.110321    0.583471
C        3.330889   -3.174429   -0.485907
C        2.460342   -4.149149    1.702467
H        1.281690   -3.389263    0.055727
C        3.455803   -4.601552   -1.059588
H        4.304484   -2.879966   -0.049076
H        3.114165   -2.456295   -1.292510
C        2.593935   -5.573682    1.117399
H        3.389189   -3.906154    2.253846
H        1.642785   -4.135583    2.444100
C        3.695002   -5.647174    0.044542
H        4.270588   -4.634074   -1.806336
H        2.523327   -4.852035   -1.603813
H        2.793952   -6.294608    1.931984
H        1.625885   -5.870314    0.666076
H        3.745333   -6.664755   -0.385181
H        4.678842   -5.458103    0.519894
C        2.964400   -1.089132    2.652486
C        4.465915   -1.235069    2.318759
C        2.731881    0.212930    3.447774
H        2.693613   -1.936418    3.314437
C        5.325079   -1.198913    3.603208
H        4.775906   -0.421974    1.638833
H        4.658014   -2.178170    1.782913
C        3.569227    0.236162    4.744281
H        3.030108    1.072519    2.821091
H        1.662419    0.357149    3.683641
C        5.068863    0.068587    4.438319
H        6.395685   -1.276829    3.338308
H        5.090055   -2.091096    4.218016
H        3.388763    1.178945    5.293224
H        3.234802   -0.584288    5.410599
H        5.654461    0.038597    5.375442
H        5.423880    0.954415    3.874721
C        1.109590    3.403641   -1.711308
C       -0.346508    3.087333   -2.125867
C        1.284262    4.916736   -1.431144
H        1.730422    3.147143   -2.594111
C       -0.794149    3.966417   -3.314034
H       -1.035995    3.248109   -1.277795
H       -0.429679    2.026939   -2.409625
C        0.836901    5.775567   -2.633981
H        0.673140    5.199992   -0.553174
H        2.330895    5.159229   -1.175099
C       -0.617227    5.467793   -3.030037
H       -1.846677    3.738393   -3.562427
H       -0.197135    3.690799   -4.205111
H        0.960186    6.847808   -2.392703
H        1.502202    5.568978   -3.496555
H       -0.913401    6.067673   -3.910266
H       -1.290832    5.769687   -2.202645
H        0.438866    2.028559   -6.331050
H        2.298266    1.668951   -4.765368
C        3.898771   -0.353651   -3.845283
H        4.635429   -1.170691   -3.864995
H        4.030243    0.278252   -4.744142
H        4.045156    0.242509   -2.925456
H        6.133763    3.650501   -2.828180
H       -1.615705   -1.472981   -4.851568
H        1.523060    0.395765   -2.563098
N       -0.508232    0.226339   -0.646365
N       -1.650871    0.273284   -0.592800

130
TS-s7-5
Ru        1.125337    0.178574   -1.030890
H        2.502591    0.089670   -2.253090
P        1.439613    2.419139   -0.405207
P        1.707926   -1.452771    1.024514
C        1.456372   -0.788321   -5.441869
C        1.729768   -1.106311   -4.085938
C        2.926634   -0.548909   -3.419657
C        3.690293    0.411725   -4.212985
C        3.336116    0.725260   -5.514535
C        2.224199    0.122332   -6.160425
H        1.975407    0.373772   -7.194789
C        0.764928   -1.841272   -3.314090
O        0.574288   -1.639753   -2.062637
C       -0.176302   -2.843674   -3.958279
H       -0.382444   -3.646913   -3.233673
H        0.230210   -3.277678   -4.883503
H       -1.144068   -2.359526   -4.185538
O        3.679359   -1.601829   -2.811244
C        3.174293    3.188932   -0.704195
H        3.122348    4.203273   -0.262267
C        3.515416    3.341671   -2.202751
H        3.433900    2.360001   -2.703445
H        2.785730    4.002429   -2.701001
C        4.929548    3.924190   -2.418045
H        4.953138    4.969715   -2.049460
C        6.010762    3.113373   -1.683230
H        7.005582    3.572902   -1.828328
H        6.068085    2.095093   -2.117611
C        5.678352    3.005321   -0.185654
H        5.721611    4.015419    0.269415
H        6.434925    2.393643    0.340068
C        4.275225    2.405153    0.039280
H        4.058729    2.377783    1.122000
H        4.257633    1.353395   -0.306376
C        1.106404    2.881667    1.442226
H        1.539114    2.003377    1.957863
C        1.798093    4.142624    2.018424
H        2.885824    4.120752    1.833601
H        1.410951    5.049555    1.518099
C        1.554447    4.265909    3.540007
H        2.043206    3.413382    4.053121
H        2.043297    5.181562    3.921215
C        0.054995    4.269341    3.884510
H       -0.089476    4.318307    4.979348
H       -0.413829    5.181767    3.464386
C       -0.642665    3.028714    3.300450
H       -1.728376    3.060264    3.506078
H       -0.254078    2.120270    3.803766
C       -0.403952    2.906502    1.780250
H       -0.878483    3.772111    1.279893
H       -0.907117    2.005157    1.394757
C        0.151398   -1.410946    2.193774
H       -0.158672   -0.350679    2.105770
C       -1.010904   -2.273442    1.636772
H       -1.144769   -2.116017    0.554420
H       -0.765830   -3.344198    1.775488
C       -2.330558   -1.975963    2.379351
H       -2.622641   -0.925564    2.187430
H       -3.140120   -2.605243    1.966023
C       -2.186773   -2.210205    3.893970
H       -3.119938   -1.937474    4.420298
C       -0.998037   -1.417478    4.466075
H       -1.215463   -0.332586    4.396557
C        0.314744   -1.713871    3.704806
H        1.130506   -1.126914    4.157819
H        0.578455   -2.778180    3.853795
H       -0.863298   -1.641321    5.540756
H       -2.024736   -3.290768    4.082087
C        1.756586   -3.317371    0.551609
C        2.728608   -3.670175   -0.594497
C        1.934099   -4.321042    1.714946
H        0.738524   -3.447073    0.134792
C        2.487708   -5.111584   -1.090714
H        3.774802   -3.602371   -0.237739
H        2.631222   -2.954127   -1.422498
C        1.714604   -5.773907    1.234202
H        2.957754   -4.230976    2.129292
H        1.240890   -4.105310    2.545019
C        2.632017   -6.133997    0.051418
H        3.187903   -5.347144   -1.913069
H        1.467056   -5.181013   -1.518086
H        1.871885   -6.474617    2.075402
H        0.657066   -5.890842    0.922992
H        2.412395   -7.156667   -0.307095
H        3.685078   -6.142775    0.398522
C        3.135495   -1.298066    2.301560
C        4.530383   -1.629725    1.726036
C        3.177061    0.096138    2.962123
H        2.904506   -2.048387    3.083395
C        5.625705   -1.549780    2.812183
H        4.766585   -0.918415    0.910838
H        4.538463   -2.636012    1.276501
C        4.256526    0.179800    4.061775
H        3.399632    0.842124    2.178004
H        2.193549    0.371371    3.381870
C        5.647585   -0.177333    3.507845
H        6.612280   -1.773244    2.365722
H        5.439648   -2.338090    3.568951
H        4.264715    1.192752    4.505388
H        3.997008   -0.519263    4.881967
H        6.402368   -0.164118    4.315349
H        5.955794    0.596464    2.776445
C        0.384631    3.620833   -1.482552
C       -1.099113    3.232752   -1.678887
C        0.504912    5.122499   -1.128504
H        0.865144    3.462637   -2.469016
C       -1.764263    4.123879   -2.750568
H       -1.656142    3.332469   -0.729283
H       -1.171566    2.178463   -1.985420
C       -0.161489    6.008051   -2.204811
H        0.007475    5.312789   -0.158020
H        1.560083    5.425162   -1.006473
C       -1.635127    5.621151   -2.419676
H       -2.827386    3.840957   -2.858131
H       -1.286170    3.925420   -3.730977
H       -0.074563    7.072758   -1.918909
H        0.389786    5.892970   -3.159618
H       -2.082725    6.237367   -3.220964
H       -2.207245    5.842267   -1.496102
H        3.961302    1.434419   -6.070904
H        4.586583    0.860248   -3.777371
C        4.862760   -1.207764   -2.123231
H        5.240363   -2.109100   -1.618764
H        5.636426   -0.825854   -2.816391
H        4.630968   -0.433914   -1.362664
H        5.146797    3.971491   -3.500916
H        0.569628   -1.232544   -5.907525
H        0.670113    0.942387   -2.347199
N       -0.662599    0.232247   -0.453905
N       -1.797310    0.236142   -0.277169

