108
2a
Ru      6.883100    3.236500    3.052600
Ru      7.034300    5.811000    3.563200
N       6.922600    4.781200    1.697300
C       7.984800    5.672500    1.645600
C       7.766000    6.674000    0.523700
C       6.284200    6.500800    0.166400
C       5.977700    5.075000    0.600300
C       5.589300    1.506700    2.877300
C       6.201900    1.512700    4.174200
H       5.723200    1.547900    4.994300
C       7.623500    1.458200    4.074200
C       7.929800    1.429400    2.622100
C       6.657200    1.413400    1.945100
H       6.547300    1.350100    1.003000
C       4.094000    1.491700    2.587800
C       3.534100    0.113000    2.952300
H       2.576500    0.084400    2.749000
H       3.670000   -0.052300    3.908100
H       3.999600   -0.575500    2.432500
C       3.828900    1.749700    1.105000
H       2.863900    1.813600    0.951000
H       4.197000    1.012100    0.575100
H       4.258400    2.589300    0.838100
C       3.384400    2.566000    3.414800
H       2.421300    2.528400    3.240900
H       3.727400    3.449700    3.166600
H       3.550400    2.407600    4.367300
C       8.511400    1.332000    5.332000
C       9.443700    0.109600    5.229300
H       9.897500   -0.027400    6.086500
H      10.109900    0.264500    4.527700
H       8.915400   -0.685200    5.007700
C       7.613500    1.077100    6.558200
H       8.174500    0.954800    7.352600
H       7.079000    0.269100    6.409000
H       7.018500    1.843200    6.692800
C       9.324300    2.590600    5.654100
H       9.865600    2.433400    6.456500
H       8.715500    3.342200    5.813100
H       9.913600    2.801400    4.899200
C       9.231100    1.355600    1.819000
C       9.676700   -0.104600    1.668700
H      10.513700   -0.140700    1.160500
H       8.984500   -0.610900    1.193200
H       9.816300   -0.496700    2.555900
C      10.373700    2.180100    2.419900
H      11.119100    2.217100    1.784600
H      10.674500    1.762700    3.254300
H      10.058700    3.089400    2.604900
C       8.990400    1.928500    0.412100
H       9.841900    1.978200   -0.069800
H       8.603900    2.825900    0.485900
H       8.372100    1.346000   -0.075800
C       8.169000    7.463100    4.417200
C       7.569300    6.722400    5.478900
H       8.054600    6.265000    6.154900
C       6.144500    6.759600    5.391500
C       5.808900    7.597900    4.235500
C       7.066400    8.001200    3.669600
H       7.156600    8.552100    2.900600
C       9.655000    7.779400    4.316600
C      10.000000    8.756200    5.439700
H      10.949000    8.994000    5.386600
H       9.815800    8.336800    6.306500
H       9.454500    9.566300    5.346500
C       9.997400    8.416400    2.971900
H      10.949600    8.649200    2.954100
H       9.460400    9.225900    2.847100
H       9.802800    7.780900    2.251200
C      10.492800    6.503500    4.480500
H      11.441900    6.740800    4.533700
H      10.346100    5.914600    3.710500
H      10.225400    6.039100    5.301900
C       5.315200    6.099400    6.505700
C       5.121300    7.141700    7.626900
H       4.613800    6.739600    8.363000
H       4.630700    7.914100    7.273800
H       5.997400    7.433800    7.955900
C       6.090800    4.912300    7.112300
H       5.537100    4.472400    7.790900
H       6.916700    5.239400    7.526400
H       6.312300    4.271600    6.404500
C       3.956600    5.531900    6.074200
H       3.548000    5.054200    6.826500
H       4.084500    4.912000    5.325700
H       3.370300    6.265200    5.795300
C       4.468100    8.155700    3.708400
C       3.691700    8.857900    4.842000
H       4.273400    9.516000    5.276700
H       3.402100    8.192400    5.501100
H       2.907100    9.312200    4.468300
C       3.601100    7.085000    3.045500
H       2.737800    7.474200    2.792100
H       3.454100    6.348700    3.674800
H       4.054700    6.746600    2.245300
C       4.720200    9.246900    2.656000
H       5.224900    9.982100    3.062600
H       3.863100    9.583200    2.322600
H       5.234600    8.868900    1.912400
H       8.847700    5.307600    1.760900
H       8.348500    6.401800   -0.273400
H       7.954900    7.599200    0.762300
H       6.109600    6.667900   -0.757800
H       5.767700    7.125100    0.646400
H       6.143900    4.444200   -0.127800
H       5.048600    4.920100    0.916800
H       8.017700    4.462300    3.740200
H       6.184200    4.433600    4.019500

116
5a
Ru      5.216900   20.629200    3.143200
Ru      6.798900   21.689000    5.396100
N       5.530100   19.854800    5.003300
N       4.801300   22.152300    4.482000
C       5.101700   20.539700    6.133000
C       4.932800   19.635400    7.320400
H       3.867700   19.397600    7.437800
H       5.283000   20.069200    8.257400
C       5.729300   18.387600    6.896900
H       5.289200   17.460600    7.271200
H       6.749900   18.446700    7.276000
C       5.739200   18.451200    5.362700
H       6.663800   18.072800    4.923200
H       4.910600   17.873400    4.933900
C       4.693600   21.847500    5.839100
C       4.008400   22.934700    6.616000
H       4.416900   23.084400    7.616900
H       2.941100   22.696900    6.719200
C       4.203300   24.139200    5.680400
H       3.422500   24.895800    5.784800
H       5.172300   24.608900    5.873600
C       4.210600   23.482000    4.296200
H       3.182100   23.334000    3.944800
H       4.744000   24.051400    3.535800
C       5.917100   19.276600    1.563000
C       5.843700   20.613700    1.062000
H       6.685100   21.142000    0.638400
C       4.507400   21.123400    1.117000
C       3.701900   20.071000    1.753500
C       4.598100   18.956400    1.973100
H       4.314500   18.018100    2.425300
C       7.127000   18.361300    1.491900
C       7.542300   18.220700    0.015200
H       8.396700   17.541300   -0.082500
H       7.830700   19.188500   -0.406900
H       6.717400   17.823400   -0.585100
C       6.785500   16.967500    2.034200
H       7.667500   16.319900    1.991200
H       5.993500   16.496300    1.442600
H       6.451200   17.011300    3.073900
C       8.296800   18.950000    2.293400
H       9.168400   18.285600    2.251100
H       8.009400   19.104400    3.336700
H       8.590100   19.924100    1.892400
C       4.176400   22.392000    0.316400
C       3.929800   21.953600   -1.142700
H       3.731700   22.824300   -1.778700
H       3.074900   21.275800   -1.216500
H       4.805100   21.430200   -1.539700
C       5.379500   23.354900    0.334800
H       5.110800   24.296100   -0.155900
H       6.246500   22.953300   -0.195700
H       5.683900   23.572200    1.361000
C       2.969100   23.208100    0.791600
H       2.860700   24.091200    0.152700
H       3.105500   23.555400    1.817300
H       2.032500   22.654900    0.731000
C       2.202500   19.940800    2.062300
C       1.391800   19.932600    0.753500
H       1.451000   20.882400    0.219900
H       0.334300   19.733400    0.960500
H       1.760200   19.150100    0.081700
C       1.693800   21.028600    3.023500
H       1.836000   22.034400    2.636900
H       2.232700   20.957800    3.973400
H       0.622500   20.890000    3.211300
C       1.925400   18.599300    2.769800
H       0.864800   18.542200    3.035100
H       2.507800   18.514900    3.693600
H       2.151300   17.741300    2.129300
C       8.461100   22.934000    4.593000
C       8.937000   21.644600    4.912500
H       9.380400   20.965800    4.199500
C       8.771300   21.373300    6.324000
C       8.151100   22.563300    6.898700
C       7.945900   23.475700    5.808300
H       7.517900   24.461900    5.896100
C       8.662200   23.692600    3.298100
C       8.636000   22.739500    2.101600
H       8.700800   23.300200    1.162700
H       7.709000   22.162000    2.114800
H       9.480400   22.043000    2.130800
C      10.038400   24.381300    3.381500
H      10.233700   24.955400    2.468900
H      10.837300   23.642100    3.499200
H      10.082900   25.067200    4.233900
C       7.575700   24.758300    3.125200
H       7.686500   25.266400    2.161900
H       7.623300   25.519600    3.910600
H       6.591100   24.290400    3.160000
C       9.534900   20.174400    6.908800
C       9.441400   18.973300    5.947900
H       9.930600   19.163000    4.990000
H       8.399300   18.719700    5.745600
H       9.931900   18.101500    6.392800
C       9.078500   19.675600    8.284100
H       8.018400   19.417700    8.285600
H       9.254400   20.400800    9.078100
H       9.641900   18.773600    8.544600
C      11.018200   20.591100    7.011100
H      11.409000   20.876400    6.029600
H      11.623400   19.760600    7.392000
H      11.148400   21.444200    7.682600
C       7.895400   23.019900    8.344400
C       9.245900   23.178000    9.069700
H       9.093300   23.619200   10.060800
H       9.907800   23.839400    8.501100
H       9.764000   22.228600    9.206600
C       6.949800   22.101800    9.130800
H       6.848600   22.463100   10.160400
H       7.287300   21.070400    9.169700
H       5.961700   22.110800    8.665800
C       7.232200   24.412200    8.356200
H       7.015100   24.698400    9.390100
H       6.287100   24.412400    7.805700
H       7.883800   25.181900    7.932200

118
7a
Ru      5.075100   20.510100    3.265700
Ru      6.838300   21.736200    5.280400
H       6.667500   20.404400    6.103000
N       4.222200   19.750400    5.043500
N       4.944500   22.192700    4.475100
C       4.289000   20.538000    6.064300
C       3.914300   19.892100    7.367300
H       2.906400   20.206500    7.667800
H       4.600300   20.168700    8.171600
C       3.980300   18.400600    6.990500
H       3.228200   17.791100    7.496100
H       4.967200   18.005600    7.250500
C       3.814800   18.409700    5.458200
H       4.433600   17.662800    4.953000
H       2.772800   18.236700    5.161300
C       4.780100   21.885700    5.842400
C       4.203400   23.080800    6.588000
H       4.637900   23.241800    7.576000
H       3.121700   22.941400    6.725100
C       4.462400   24.241400    5.616700
H       3.719200   25.038100    5.698400
H       5.449500   24.675700    5.787500
C       4.418600   23.541600    4.257300
H       3.374100   23.424100    3.941100
H       4.950900   24.059300    3.461500
C       5.937000   19.236300    1.716600
C       5.876800   20.586200    1.232600
H       6.729500   21.151800    0.892900
C       4.515700   21.033200    1.181100
C       3.686600   19.934100    1.671100
C       4.601500   18.849900    1.965900
H       4.311200   17.884700    2.353600
C       7.165400   18.352200    1.800100
C       7.248200   17.526400    0.502600
H       8.138100   16.886600    0.507500
H       7.303400   18.182400   -0.372300
H       6.366500   16.887200    0.390000
C       7.063200   17.403400    3.003000
H       7.971100   16.796700    3.090100
H       6.216000   16.716800    2.898600
H       6.926000   17.974400    3.925800
C       8.430200   19.210800    1.934100
H       9.309000   18.573300    2.080100
H       8.336300   19.887600    2.785900
H       8.601100   19.811900    1.034700
C       4.195000   22.338700    0.435100
C       4.036400   21.982000   -1.058600
H       3.861500   22.889400   -1.648100
H       3.202000   21.298800   -1.229500
H       4.944500   21.499900   -1.433500
C       5.374400   23.322900    0.550900
H       5.096700   24.287000    0.112900
H       6.262800   22.972700    0.020000
H       5.648400   23.482500    1.595300
C       2.952400   23.101300    0.910500
H       2.850900   24.022200    0.326200
H       3.043800   23.380600    1.960800
H       2.028600   22.540500    0.785700
C       2.163900   19.734100    1.763900
C       1.493500   19.906800    0.387100
H       1.528600   20.930800    0.018000
H       0.438200   19.617700    0.445700
H       1.978500   19.265500   -0.356500
C       1.521400   20.655700    2.816300
H       1.743000   21.707100    2.641100
H       1.909300   20.406200    3.808100
H       0.431800   20.529600    2.817000
C       1.846500   18.288400    2.194300
H       0.762200   18.168500    2.286900
H       2.289300   18.046600    3.162700
H       2.201500   17.559600    1.458800
C       8.497900   23.195700    4.565900
C       9.024000   21.898500    4.751100
H       9.487000   21.314800    3.970300
C       8.883000   21.468200    6.107400
C       8.204500   22.556800    6.814400
C       7.971900   23.583300    5.829500
H       7.543700   24.550400    6.040200
C       8.699300   24.042900    3.326900
C       8.582200   23.166700    2.072800
H       8.604400   23.783500    1.168000
H       7.649900   22.599700    2.099600
H       9.408100   22.451100    2.006300
C      10.115900   24.647400    3.400700
H      10.317300   25.259000    2.514000
H      10.874000   23.859600    3.452400
H      10.225300   25.281500    4.286700
C       7.680600   25.184800    3.263000
H       7.843200   25.788300    2.364300
H       7.766200   25.849100    4.129200
H       6.661700   24.796800    3.231700
C       9.590100   20.173500    6.544800
C       9.575000   19.147500    5.394500
H      10.150400   19.476300    4.525800
H       8.550800   18.948100    5.071500
H      10.024100   18.209700    5.736700
C       8.979200   19.453700    7.752200
H       7.929100   19.211300    7.562600
H       9.046900   20.029500    8.674400
H       9.519600   18.516500    7.920900
C      11.061200   20.530600    6.844500
H      11.537000   20.969200    5.961600
H      11.621300   19.630400    7.120600
H      11.149400   21.249900    7.662100
C       7.950100   22.820000    8.308900
C       9.284600   22.785300    9.078100
H       9.133300   23.127100   10.107800
H      10.019100   23.445500    8.605200
H       9.714200   21.784600    9.125700
C       6.936700   21.853300    8.943200
H       6.851300   22.055300   10.017200
H       7.207400   20.809300    8.811900
H       5.957000   21.991700    8.484000
C       7.377600   24.238500    8.504100
H       7.167400   24.398900    9.566200
H       6.441000   24.380100    7.957500
H       8.085400   25.010200    8.185800
H       6.621700   20.385700    4.238400

126
7c
Ru      5.276700    9.181900   14.418100
Ru      6.411000    7.240100   16.311700
N       4.759000    8.503900   16.299800
C       5.603600    8.932200   17.330600
C       5.122500    8.823300   18.764700
H       5.970100    8.969300   19.437600
H       4.779700    7.804000   18.964000
C       3.998700    9.819000   19.102100
H       3.971100    9.980900   20.186200
H       4.226000   10.792400   18.647200
C       2.614300    9.345400   18.649000
H       1.865600   10.088600   18.946700
H       2.366900    8.423500   19.195200
C       2.479400    9.074600   17.147800
H       1.449100    8.759100   16.942100
H       2.650100    9.990700   16.578100
C       3.426000    7.998300   16.617900
H       3.482200    7.177200   17.337000
H       3.042900    7.579000   15.687400
N       6.468300   10.406300   15.667900
C       6.410100   10.114500   16.982400
C       7.130800   10.869800   17.910200
H       7.031900   10.657700   18.968600
C       7.992900   11.874300   17.491600
C       8.093900   12.102400   16.115400
H       8.764200   12.856700   15.716900
C       7.312800   11.354300   15.254900
H       7.358600   11.505400   14.182900
C       8.807700   12.672200   18.473300
H       8.696400   13.745900   18.295400
H       9.871200   12.431800   18.372500
H       8.510000   12.462100   19.503300
C       4.104600   10.643900   13.285500
C       3.419000    9.394800   13.341200
H       2.450400    9.261600   13.803200
C       4.169700    8.352000   12.701100
C       5.420800    8.991500   12.240400
C       5.324600   10.367300   12.592900
H       6.078200   11.108000   12.371800
C       3.534400   12.015700   13.599700
C       2.767800   12.014700   14.925800
H       2.324800   12.999700   15.110300
H       3.444300   11.776100   15.752000
H       1.954800   11.281900   14.919900
C       2.572800   12.386500   12.453400
H       2.148200   13.384600   12.610300
H       1.748000   11.669500   12.389200
H       3.096600   12.383600   11.492000
C       4.641000   13.075000   13.684800
H       4.201300   14.057100   13.888700
H       5.200900   13.155200   12.747400
H       5.341800   12.844500   14.491500
C       3.540500    6.977900   12.420500
C       4.268600    5.827800   13.129900
H       3.733700    4.884100   12.966300
H       4.319400    6.030200   14.200900
H       5.290800    5.700100   12.782300
C       2.084100    6.945700   12.927700
H       1.467000    7.709500   12.444300
H       2.021900    7.084600   14.011200
H       1.645400    5.968700   12.701200
C       3.465800    6.732300   10.902000
H       2.938100    7.553500   10.405400
H       2.922500    5.803300   10.695900
H       4.451000    6.643700   10.444500
C       6.615500    8.537700   11.389500
C       6.313500    8.852600    9.911400
H       6.146400    9.925600    9.771900
H       5.420800    8.328500    9.560900
H       7.155900    8.552400    9.277700
C       6.969000    7.058300   11.547500
H       7.928000    6.847900   11.062800
H       6.230500    6.392300   11.101700
H       7.061700    6.820600   12.607300
C       7.879100    9.322800   11.804200
H       7.807300   10.388300   11.567500
H       8.747100    8.935500   11.261200
H       8.061800    9.215800   12.878000
C       5.730100    5.068400   17.093400
C       6.565500    5.754400   18.008000
H       6.293900    5.977200   19.029300
C       7.850700    6.039400   17.430100
C       7.785800    5.547400   16.050900
C       6.455700    5.003500   15.885400
H       6.091100    4.537000   14.983200
C       4.466000    4.295100   17.431300
C       3.835700    4.777300   18.745800
H       2.929800    4.200300   18.957200
H       3.556200    5.833600   18.708500
H       4.518700    4.638500   19.589800
C       4.902000    2.825300   17.624600
H       4.043800    2.206000   17.909300
H       5.660900    2.743800   18.409300
H       5.326200    2.420700   16.700600
C       3.430100    4.345800   16.301300
H       2.564100    3.727300   16.560700
H       3.844500    3.960700   15.365800
H       3.081000    5.363100   16.116400
C       8.987400    6.540900   18.337500
C       9.580800    5.316400   19.064200
H       9.981400    4.582400   18.361400
H       8.812900    4.817600   19.664700
H      10.390700    5.624400   19.734800
C       8.436300    7.509400   19.401500
H       7.662200    7.064100   20.031500
H       8.026000    8.397700   18.915800
H       9.250300    7.821000   20.064400
C      10.103100    7.321900   17.631600
H      10.682500    6.714900   16.938300
H      10.802200    7.703900   18.383300
H       9.685800    8.174800   17.088000
C       8.871600    5.299300   14.985700
C       8.279600    4.483900   13.817900
H       9.044800    4.349900   13.047000
H       7.430400    4.986500   13.352200
H       7.956900    3.489900   14.144400
C       9.990800    4.419100   15.576200
H      10.682000    4.114000   14.782800
H       9.570600    3.513300   16.026400
H      10.576400    4.931600   16.338700
C       9.456400    6.587600   14.383500
H      10.207700    6.336400   13.625600
H       9.927300    7.223600   15.129500
H       8.667200    7.175800   13.913800
H       6.470800    7.789300   14.680000
H       7.634900    8.190200   16.112400

118
11_
Ru      1.443300    0.272000    0.097200
Ru     -1.364600    0.331900   -0.125000
O      -0.233200    1.509500    2.346800
N       0.136400    0.339200   -1.504700
N       1.325200    2.321700   -0.276600
C      -0.469100    1.625400   -1.592500
C      -1.114500    1.797600   -2.959000
H      -0.500900    2.462100   -3.583100
H      -2.121500    2.220100   -2.920300
C      -1.103600    0.368700   -3.526000
H      -2.023900   -0.146000   -3.250200
H      -1.008800    0.339000   -4.614100
C       0.078600   -0.295200   -2.815900
H      -0.022200   -1.376200   -2.712700
H       1.011700   -0.081100   -3.349500
C       0.313300    2.670200   -0.998000
C       0.061100    4.148900   -1.000700
H      -0.818300    4.361400   -0.380300
H      -0.142100    4.544700   -2.000200
C       1.357300    4.684700   -0.364200
H       2.069400    4.963800   -1.147400
H       1.193800    5.557800    0.270800
C       1.889700    3.471500    0.418900
H       2.981200    3.415600    0.441900
H       1.535000    3.459100    1.457400
C      -0.217500    0.976100    1.297400
C       2.722000   -0.383500    1.835600
C       3.473800    0.336700    0.885200
H       3.965400    1.273800    1.097400
C       3.494100   -0.327400   -0.394700
C       2.698900   -1.544500   -0.217700
C       2.215900   -1.523000    1.133400
H       1.610100   -2.297200    1.581800
C       2.750500   -0.129800    3.332800
C       2.813600    1.373600    3.638900
H       2.847300    1.529800    4.722500
H       1.930300    1.880500    3.244500
H       3.710800    1.837400    3.215500
C       4.031900   -0.809500    3.860300
H       4.123700   -0.663300    4.942400
H       4.923500   -0.392300    3.380800
H       4.013200   -1.886200    3.661200
C       1.541300   -0.734600    4.052000
H       1.657600   -0.611500    5.134200
H       1.446000   -1.806800    3.851900
H       0.620300   -0.236100    3.748800
C       4.401900    0.190500   -1.522300
C       5.584100   -0.777200   -1.720500
H       6.279200   -0.381200   -2.469100
H       5.268400   -1.767000   -2.051600
H       6.131800   -0.902700   -0.780500
C       5.011600    1.551900   -1.131900
H       5.631400    1.916700   -1.956900
H       5.652000    1.483200   -0.247400
H       4.230100    2.295600   -0.949600
C       3.651400    0.443700   -2.838800
H       4.343600    0.831500   -3.595100
H       2.864600    1.186100   -2.671400
H       3.189300   -0.452600   -3.243300
C       2.544900   -2.845800   -1.021600
C       3.620100   -3.820200   -0.492900
H       4.627900   -3.431300   -0.666200
H       3.536700   -4.790100   -0.996300
H       3.504300   -3.981000    0.583200
C       2.697700   -2.753800   -2.544200
H       3.685100   -2.414400   -2.853900
H       1.949200   -2.097800   -2.987200
H       2.555300   -3.752200   -2.970800
C       1.155600   -3.451000   -0.754800
H       1.059800   -3.814600    0.271100
H       0.980700   -4.307100   -1.414600
H       0.372900   -2.706200   -0.926400
C      -3.366200    1.039900    0.417500
C      -2.919800    0.129400    1.405000
H      -2.708900    0.402400    2.428500
C      -2.803500   -1.210500    0.874100
C      -3.228900   -1.137200   -0.501700
C      -3.482000    0.249500   -0.771100
H      -3.814200    0.637800   -1.723100
C      -3.852700    2.462100    0.624000
C      -3.015200    3.186900    1.684700
H      -3.399200    4.202000    1.835900
H      -1.967300    3.243100    1.380500
H      -3.044600    2.672000    2.649200
C      -5.318400    2.384300    1.094400
H      -5.730600    3.388500    1.244400
H      -5.393700    1.838600    2.040400
H      -5.938600    1.866500    0.355000
C      -3.787300    3.257800   -0.685300
H      -4.133000    4.283900   -0.521000
H      -4.421400    2.817800   -1.462400
H      -2.760800    3.291900   -1.058800
C      -2.496300   -2.353900    1.852800
C      -3.789600   -2.682500    2.627000
H      -3.599100   -3.470200    3.364500
H      -4.587800   -3.023900    1.963300
H      -4.154100   -1.799200    3.161000
C      -1.429400   -1.891000    2.861600
H      -1.193800   -2.706800    3.553300
H      -1.746300   -1.038400    3.466200
H      -0.519500   -1.605700    2.329900
C      -1.920100   -3.628200    1.226200
H      -1.652700   -4.329700    2.023700
H      -1.013300   -3.392100    0.669100
H      -2.609100   -4.149300    0.563900
C      -3.639200   -2.225400   -1.510800
C      -4.683200   -3.154300   -0.856100
H      -5.522300   -2.567900   -0.467700
H      -4.279800   -3.741000   -0.033900
H      -5.075100   -3.855700   -1.600700
C      -2.455800   -3.031100   -2.068100
H      -1.837800   -3.467200   -1.287000
H      -1.816900   -2.386500   -2.676600
H      -2.821400   -3.841900   -2.708600
C      -4.372000   -1.604500   -2.719100
H      -5.270400   -1.062000   -2.409300
H      -4.682700   -2.406500   -3.396200
H      -3.742400   -0.924200   -3.296300

105
B-dd
Ru      6.629200    3.163600    2.718400
Ru      6.220100    5.896900    3.342000
N       7.227100    4.382800    1.164500
C       7.095500    5.622000    1.524700
C       7.635600    6.535200    0.442400
C       7.870900    5.597600   -0.759800
C       7.876200    4.192900   -0.127700
C       5.544800    1.351800    2.580700
C       5.868100    1.543600    4.009200
C       7.290800    1.637600    4.068000
C       7.880200    1.445700    2.772200
C       6.798600    1.212400    1.880200
C       7.178700    6.699600    5.254800
C       5.797400    6.440500    5.479000
C       4.986500    7.248200    4.617900
C       5.923900    8.069000    3.828200
C       7.241800    7.699200    4.254800
H       7.256400    4.653000    3.714600
H       8.562700    6.998300    0.804300
H       6.936200    7.344800    0.221300
H       8.793900    5.819200   -1.299900
H       7.042700    5.685800   -1.468900
H       8.892000    3.807300    0.032500
H       7.332200    3.449100   -0.718400
H       5.300500    4.529200    3.269700
H       5.112700    5.958200    2.210600
C       5.734400    9.310800    2.944200
C       7.035500    9.631900    2.181800
C       4.621200    9.157900    1.900600
C       5.467600   10.534200    3.847800
H       7.827900    9.972300    2.854700
H       7.403400    8.770800    1.625700
H       6.848200   10.443500    1.471900
H       3.635100    9.063000    2.354600
H       4.595600   10.039200    1.250800
H       4.796300    8.270700    1.284300
H       5.421600   11.443700    3.238300
H       4.535600   10.455900    4.404400
H       6.280600   10.652900    4.571400
C       3.444900    7.225600    4.743300
C       2.882800    8.626000    5.048800
C       2.738700    6.645200    3.504200
C       3.033500    6.332500    5.930800
H       3.419700    9.094800    5.879700
H       2.928500    9.292000    4.187000
H       1.828800    8.542400    5.333800
H       3.001700    5.591700    3.382100
H       1.652500    6.726600    3.628800
H       3.019200    7.157100    2.584500
H       1.941900    6.324400    6.010000
H       3.357400    5.299400    5.790100
H       3.434100    6.704400    6.879400
C       8.346500    6.126400    6.037500
C       8.011100    4.733000    6.586100
C       9.601200    6.022600    5.159600
C       8.619800    7.086200    7.212800
H       7.158900    4.759800    7.272900
H       7.769500    4.051700    5.765200
H       8.867000    4.331900    7.139400
H       9.913200    7.001000    4.780600
H      10.433500    5.615200    5.743200
H       9.417300    5.365500    4.304900
H       9.452400    6.717900    7.821900
H       8.877400    8.085900    6.848600
H       7.738500    7.176300    7.855800
C       9.349000    1.391200    2.444300
C      10.118400    2.574000    3.040200
C       9.942200    0.051000    2.899500
H      10.037200    2.587900    4.132900
H      11.181200    2.511000    2.785100
H       9.718500    3.520800    2.666000
H      10.994700   -0.029700    2.609100
H       9.883700   -0.043300    3.989500
H       9.398500   -0.790500    2.459800
C       4.226300    1.190400    1.811000
C       3.087400    2.066100    2.352100
C       4.427400    1.619300    0.340800
C       3.819400   -0.295400    1.814700
H       2.757700    1.769100    3.346500
H       3.397400    3.115500    2.387500
H       2.220100    1.986500    1.688500
H       5.103800    0.951100   -0.199300
H       3.465300    1.588900   -0.180200
H       4.821000    2.639100    0.282700
H       2.903000   -0.437600    1.231200
H       4.607300   -0.907700    1.364000
H       3.640900   -0.672000    2.823400
H       5.423100    5.736100    6.203800
H       8.157000    8.124600    3.872800
H       9.433800    1.450500    1.350900
H       7.862300    1.823300    4.965800
H       6.914300    1.037000    0.820200
C       5.019700    1.540300    5.293000
C       5.939300    1.383600    6.522200
C       4.249400    2.853500    5.496300
C       4.066400    0.332500    5.317200
H       6.540800    0.470700    6.464700
H       6.609700    2.238900    6.641500
H       5.325200    1.326000    7.426500
H       3.571700    3.080200    4.674300
H       3.664800    2.809500    6.423300
H       4.960600    3.679800    5.559000
H       3.581000    0.261900    6.296500
H       3.277200    0.404000    4.569500
H       4.615700   -0.598700    5.143000
