102 Compound 15 Ir -2.532000 -0.559000 -0.603000 C -0.564000 -0.545000 -1.189000 C 0.372000 -1.491000 -1.712000 C -0.048000 0.752000 -1.586000 C 1.364000 -0.805000 -2.498000 H 0.320000 -2.568000 -1.600000 C -0.945000 1.820000 -1.270000 C 1.116000 0.601000 -2.418000 H 2.193000 -1.270000 -3.019000 O -0.785000 3.106000 -1.647000 N -2.063000 1.522000 -0.654000 H 1.689000 1.391000 -2.887000 C -2.102000 3.734000 -1.452000 C -2.886000 2.747000 -0.548000 H -1.928000 4.715000 -1.005000 H -2.549000 3.841000 -2.444000 C -3.076000 3.218000 0.917000 H -3.868000 2.532000 -0.984000 C -1.761000 3.636000 1.594000 C -4.128000 4.340000 0.982000 H -3.470000 2.347000 1.458000 H -1.935000 3.863000 2.652000 H -1.338000 4.539000 1.134000 H -1.012000 2.839000 1.544000 H -5.081000 4.026000 0.537000 H -3.787000 5.239000 0.449000 H -4.318000 4.631000 2.022000 Co 1.534000 -0.149000 -0.567000 C 2.182000 0.481000 1.238000 C 3.426000 -0.527000 -0.096000 C 2.510000 -0.935000 0.990000 C 3.070000 0.884000 0.130000 C 1.568000 1.211000 2.348000 C 4.467000 -1.189000 -0.889000 C 2.332000 -2.194000 1.726000 C 3.642000 2.164000 -0.319000 C 2.062000 2.479000 2.726000 C 0.536000 0.644000 3.124000 C 5.122000 -2.339000 -0.403000 C 4.886000 -0.657000 -2.129000 C 2.323000 -2.206000 3.136000 C 2.242000 -3.430000 1.050000 C 2.833000 3.286000 -0.589000 C 5.040000 2.301000 -0.446000 C 1.546000 3.145000 3.841000 H 2.867000 2.932000 2.154000 C 0.030000 1.307000 4.243000 H 0.138000 -0.324000 2.837000 C 6.147000 -2.943000 -1.137000 H 4.834000 -2.751000 0.561000 C 5.912000 -1.261000 -2.856000 H 4.397000 0.231000 -2.519000 C 2.216000 -3.408000 3.842000 H 2.420000 -1.269000 3.677000 C 2.146000 -4.629000 1.758000 H 2.243000 -3.437000 -0.036000 C 3.403000 4.502000 -0.971000 H 1.752000 3.196000 -0.513000 C 5.607000 3.519000 -0.833000 H 5.680000 1.449000 -0.232000 C 0.532000 2.562000 4.610000 H 1.948000 4.118000 4.117000 H -0.760000 0.845000 4.831000 C 6.546000 -2.411000 -2.367000 H 6.639000 -3.829000 -0.741000 H 6.216000 -0.836000 -3.811000 C 2.126000 -4.625000 3.159000 H 2.215000 -3.393000 4.930000 H 2.079000 -5.570000 1.215000 C 4.793000 4.625000 -1.097000 H 2.759000 5.354000 -1.182000 H 6.688000 3.603000 -0.925000 H 0.139000 3.077000 5.483000 H 7.343000 -2.883000 -2.937000 H 2.047000 -5.560000 3.709000 H 5.234000 5.572000 -1.400000 C -2.605000 -2.329000 0.628000 C -1.459000 -3.173000 1.101000 C -3.207000 -1.224000 1.361000 C -3.381000 -2.537000 -0.576000 H -0.961000 -3.673000 0.266000 H -1.829000 -3.950000 1.785000 H -0.707000 -2.583000 1.630000 C -2.867000 -0.807000 2.762000 C -4.437000 -0.843000 0.658000 C -3.199000 -3.616000 -1.605000 C -4.543000 -1.638000 -0.510000 H -1.860000 -1.129000 3.036000 H -3.570000 -1.271000 3.470000 H -2.924000 0.279000 2.893000 C -5.461000 0.136000 1.160000 H -3.423000 -3.234000 -2.606000 H -3.863000 -4.468000 -1.399000 H -2.169000 -3.986000 -1.612000 C -5.639000 -1.598000 -1.533000 H -5.960000 0.660000 0.338000 H -6.234000 -0.391000 1.738000 H -5.014000 0.884000 1.821000 H -5.220000 -1.503000 -2.541000 H -6.227000 -2.525000 -1.482000 H -6.315000 -0.755000 -1.364000 Cl -2.940000 -0.110000 -3.051000 102 Compound 21 Ir -2.483000 -0.485000 -0.379000 C -0.582000 -0.604000 -1.144000 C 0.326000 -1.629000 -1.557000 C -0.040000 0.624000 -1.703000 C 1.325000 -1.068000 -2.433000 H 0.290000 -2.672000 -1.270000 C -0.915000 1.740000 -1.525000 C 1.119000 0.346000 -2.516000 H 2.133000 -1.616000 -2.903000 O -0.679000 2.996000 -1.960000 N -2.080000 1.519000 -0.970000 H 1.702000 1.059000 -3.085000 C -1.928000 3.744000 -1.741000 C -2.873000 2.768000 -0.981000 H -2.303000 4.028000 -2.728000 H -1.672000 4.639000 -1.170000 C -3.337000 3.239000 0.420000 H -3.774000 2.586000 -1.582000 C -2.187000 3.675000 1.338000 C -4.394000 4.349000 0.268000 H -3.809000 2.360000 0.881000 H -2.580000 3.913000 2.334000 H -1.684000 4.578000 0.963000 H -1.458000 2.870000 1.457000 H -5.240000 4.025000 -0.353000 H -3.965000 5.251000 -0.192000 H -4.787000 4.640000 1.249000 Co 1.535000 -0.213000 -0.596000 C 3.411000 -0.651000 -0.108000 C 2.177000 0.362000 1.234000 C 3.075000 0.762000 0.123000 C 2.477000 -1.056000 0.964000 C 4.513000 -1.240000 -0.884000 C 1.748000 1.136000 2.400000 C 3.743000 2.016000 -0.261000 C 2.023000 -2.333000 1.522000 C 5.381000 -2.190000 -0.308000 C 4.810000 -0.772000 -2.183000 C 1.947000 0.624000 3.699000 C 1.276000 2.457000 2.274000 C 5.140000 2.130000 -0.105000 C 3.036000 3.121000 -0.771000 C 1.002000 -2.372000 2.499000 C 2.573000 -3.561000 1.091000 C 6.483000 -2.679000 -1.017000 H 5.206000 -2.524000 0.711000 C 5.912000 -1.259000 -2.887000 H 4.166000 -0.021000 -2.633000 C 1.666000 1.398000 4.827000 H 2.346000 -0.380000 3.821000 C 1.006000 3.232000 3.402000 H 1.115000 2.871000 1.284000 C 5.803000 3.313000 -0.440000 H 5.702000 1.285000 0.285000 C 3.700000 4.305000 -1.101000 H 1.964000 3.038000 -0.930000 C 0.590000 -3.584000 3.052000 H 0.503000 -1.452000 2.788000 C 2.151000 -4.772000 1.644000 H 3.325000 -3.568000 0.309000 C 6.750000 -2.223000 -2.311000 H 7.138000 -3.411000 -0.550000 H 6.117000 -0.888000 -3.889000 C 1.193000 2.706000 4.686000 H 1.828000 0.980000 5.819000 H 0.639000 4.249000 3.279000 C 5.086000 4.407000 -0.937000 H 6.881000 3.381000 -0.310000 H 3.135000 5.147000 -1.498000 C 1.167000 -4.793000 2.638000 H -0.194000 -3.585000 3.806000 H 2.595000 -5.703000 1.296000 H 7.606000 -2.605000 -2.863000 H 0.977000 3.311000 5.564000 H 5.603000 5.328000 -1.198000 H 0.846000 -5.735000 3.077000 C -3.890000 -1.343000 -1.778000 C -4.018000 -1.185000 -3.267000 C -4.726000 -0.670000 -0.773000 C -3.177000 -2.413000 -1.093000 H -4.214000 -0.144000 -3.544000 H -4.847000 -1.796000 -3.654000 H -3.102000 -1.498000 -3.777000 C -5.743000 0.392000 -1.082000 C -4.461000 -1.243000 0.496000 C -2.408000 -3.513000 -1.764000 C -3.452000 -2.302000 0.319000 H -5.426000 1.021000 -1.920000 H -6.695000 -0.079000 -1.369000 H -5.935000 1.036000 -0.219000 C -5.053000 -0.859000 1.820000 H -1.692000 -3.978000 -1.080000 H -3.111000 -4.291000 -2.096000 H -1.862000 -3.152000 -2.640000 C -2.987000 -3.221000 1.411000 H -4.256000 -0.643000 2.542000 H -5.667000 -1.680000 2.215000 H -5.688000 0.028000 1.734000 H -2.784000 -2.653000 2.324000 H -3.756000 -3.976000 1.631000 H -2.066000 -3.739000 1.131000 Cl -1.658000 0.164000 1.882000 102 Compound 16 C -2.154000 -3.380000 1.063000 H -2.324000 -3.436000 -0.009000 C -1.963000 -4.550000 1.800000 H -1.990000 -5.513000 1.294000 C -1.729000 -4.489000 3.180000 H -1.580000 -5.402000 3.753000 C -1.693000 -3.243000 3.814000 H -1.521000 -3.182000 4.887000 C 2.433000 -2.681000 -0.006000 C 3.484000 -2.414000 -0.952000 C 1.347000 -3.705000 -0.154000 H 1.124000 -3.899000 -1.208000 H 0.426000 -3.393000 0.343000 H 1.672000 -4.653000 0.299000 C 3.681000 -3.061000 -2.292000 H 4.421000 -3.871000 -2.216000 H 4.031000 -2.328000 -3.025000 H 2.745000 -3.488000 -2.665000 Ir 2.388000 -0.583000 -0.552000 Co -1.595000 -0.004000 -0.645000 Cl 3.018000 0.320000 -2.822000 C -2.425000 -0.887000 0.949000 C -3.427000 -0.539000 -0.083000 C -3.175000 0.894000 0.156000 C -2.173000 0.548000 1.180000 C -2.129000 -2.114000 1.691000 C -1.895000 -2.069000 3.082000 H -1.889000 -1.108000 3.589000 C -4.472000 -1.270000 -0.811000 C -5.086000 -2.405000 -0.242000 H -4.763000 -2.752000 0.735000 C -6.115000 -3.074000 -0.911000 H -6.575000 -3.946000 -0.451000 C -6.561000 -2.623000 -2.157000 H -7.361000 -3.144000 -2.677000 C -5.971000 -1.487000 -2.728000 H -6.312000 -1.123000 -3.695000 C -4.940000 -0.820000 -2.065000 H -4.486000 0.059000 -2.517000 C -3.844000 2.144000 -0.227000 C -3.129000 3.356000 -0.335000 H -2.052000 3.356000 -0.187000 C -3.787000 4.546000 -0.649000 H -3.216000 5.468000 -0.734000 C -5.172000 4.556000 -0.863000 H -5.682000 5.484000 -1.112000 C -5.892000 3.362000 -0.755000 H -6.969000 3.359000 -0.913000 C -5.238000 2.168000 -0.438000 H -5.809000 1.248000 -0.341000 C -1.471000 1.320000 2.210000 C -0.176000 0.962000 2.640000 H 0.336000 0.148000 2.135000 C 0.447000 1.660000 3.677000 H 1.441000 1.363000 4.008000 C -0.195000 2.744000 4.291000 H 0.293000 3.286000 5.098000 C -1.471000 3.122000 3.857000 H -1.980000 3.961000 4.327000 C -2.106000 2.416000 2.831000 H -3.105000 2.703000 2.514000 C 0.032000 1.011000 -1.415000 C -1.109000 1.103000 -2.285000 H -1.641000 1.999000 -2.577000 C -1.412000 -0.240000 -2.673000 H -2.233000 -0.542000 -3.313000 C -0.478000 -1.130000 -2.031000 H -0.485000 -2.206000 -2.149000 C 0.480000 -0.364000 -1.293000 C 0.849000 1.924000 -0.673000 N 1.933000 1.445000 -0.115000 C 2.647000 2.554000 0.561000 H 2.854000 2.256000 1.596000 C 1.570000 3.668000 0.540000 H 1.030000 3.751000 1.488000 H 1.942000 4.645000 0.225000 O 0.590000 3.230000 -0.471000 C 3.990000 2.914000 -0.126000 H 4.507000 1.957000 -0.278000 C 4.836000 3.795000 0.813000 H 5.008000 3.308000 1.782000 H 5.812000 4.009000 0.362000 H 4.346000 4.760000 1.004000 C 3.818000 3.572000 -1.506000 H 3.215000 2.945000 -2.169000 H 3.359000 4.568000 -1.426000 H 4.800000 3.703000 -1.977000 C 3.961000 -1.188000 0.981000 C 2.678000 -1.871000 1.182000 C 4.453000 -1.508000 -0.311000 C 4.648000 -0.351000 2.022000 H 3.927000 0.231000 2.607000 H 5.368000 0.341000 1.577000 H 5.193000 -0.999000 2.723000 C 1.991000 -2.046000 2.506000 H 2.449000 -2.884000 3.054000 H 0.928000 -2.269000 2.387000 H 2.086000 -1.155000 3.135000 C 5.725000 -1.041000 -0.956000 H 5.520000 -0.649000 -1.960000 H 6.434000 -1.876000 -1.047000 H 6.207000 -0.252000 -0.370000 102 Compound 22 Ir 2.413000 -0.576000 -0.309000 C 0.543000 -0.416000 -1.147000 C -0.409000 -1.275000 -1.788000 C 0.107000 0.927000 -1.469000 C -1.326000 -0.477000 -2.572000 H -0.441000 -2.357000 -1.735000 C 0.953000 1.931000 -0.899000 C -1.024000 0.904000 -2.358000 Co -1.578000 -0.011000 -0.614000 H -2.129000 -0.860000 -3.191000 O 0.643000 3.235000 -0.773000 N 2.103000 1.545000 -0.406000 H -1.540000 1.753000 -2.788000 C -3.406000 0.590000 -0.154000 C -2.294000 -0.589000 1.164000 C 1.643000 3.786000 0.159000 C 2.751000 2.703000 0.252000 C -2.489000 0.857000 0.969000 C -3.233000 -0.862000 0.056000 C -4.340000 1.422000 -0.927000 C -1.762000 -1.420000 2.253000 H 1.127000 3.950000 1.108000 H 1.979000 4.738000 -0.258000 C 4.092000 3.092000 -0.417000 H 2.936000 2.427000 1.297000 C -2.175000 2.047000 1.766000 C -3.917000 -2.057000 -0.449000 C -5.664000 0.988000 -1.146000 C -3.966000 2.691000 -1.418000 C -1.927000 -1.017000 3.592000 C -1.154000 -2.666000 1.999000 C 3.929000 3.539000 -1.880000 C 4.819000 4.159000 0.422000 H 4.699000 2.178000 -0.402000 C -1.006000 2.112000 2.553000 C -3.084000 3.125000 1.825000 C -4.454000 -2.099000 -1.755000 C -4.105000 -3.183000 0.380000 C -6.575000 1.789000 -1.842000 H -5.981000 0.025000 -0.755000 C -4.879000 3.490000 -2.108000 H -2.951000 3.045000 -1.252000 C -1.495000 -1.833000 4.642000 H -2.402000 -0.064000 3.808000 C -0.736000 -3.484000 3.049000 H -1.003000 -2.978000 0.970000 H 4.911000 3.682000 -2.347000 H 3.393000 4.494000 -1.954000 H 3.379000 2.793000 -2.464000 H 5.801000 4.388000 -0.008000 H 4.249000 5.098000 0.455000 H 4.970000 3.820000 1.455000 C -0.757000 3.221000 3.363000 H -0.287000 1.297000 2.513000 C -2.826000 4.236000 2.633000 H -4.004000 3.084000 1.249000 C -5.139000 -3.224000 -2.215000 H -4.330000 -1.240000 -2.409000 C -4.789000 -4.310000 -0.085000 H -3.721000 -3.167000 1.396000 C -6.188000 3.042000 -2.329000 H -7.592000 1.434000 -1.997000 H -4.567000 4.465000 -2.478000 C -0.901000 -3.070000 4.377000 H -1.630000 -1.501000 5.670000 H -0.271000 -4.444000 2.833000 C -1.662000 4.291000 3.407000 H 0.147000 3.247000 3.968000 H -3.543000 5.053000 2.665000 C -5.307000 -4.340000 -1.384000 H -5.541000 -3.233000 -3.226000 H -4.923000 -5.164000 0.575000 H -6.897000 3.664000 -2.870000 H -0.567000 -3.705000 5.195000 H -1.465000 5.153000 4.042000 H -5.839000 -5.217000 -1.744000 C 3.172000 -1.950000 -1.799000 C 2.605000 -2.295000 -3.145000 C 2.931000 -2.668000 -0.552000 C 4.189000 -0.948000 -1.540000 H 2.551000 -1.417000 -3.795000 H 3.242000 -3.046000 -3.636000 H 1.597000 -2.709000 -3.063000 C 2.094000 -3.904000 -0.378000 C 3.856000 -2.130000 0.434000 C 4.827000 -0.085000 -2.590000 C 4.642000 -1.090000 -0.161000 H 1.260000 -3.924000 -1.086000 H 2.700000 -4.806000 -0.551000 H 1.680000 -3.961000 0.633000 C 3.976000 -2.617000 1.847000 H 4.107000 0.209000 -3.359000 H 5.639000 -0.641000 -3.082000 H 5.258000 0.824000 -2.162000 C 5.798000 -0.385000 0.493000 H 4.368000 -1.838000 2.505000 H 4.657000 -3.480000 1.877000 H 3.004000 -2.924000 2.243000 H 5.567000 -0.113000 1.528000 H 6.689000 -1.031000 0.505000 H 6.067000 0.531000 -0.044000 Cl 1.701000 -0.166000 2.048000 101 Cation 17 Ir -2.375000 -0.537000 -0.645000 Co 1.448000 -0.080000 -0.640000 C 1.876000 0.443000 1.249000 C 1.122000 1.077000 2.334000 C 1.581000 2.286000 2.899000 H 2.460000 2.771000 2.485000 C 0.938000 2.847000 4.005000 H 1.315000 3.773000 4.432000 C -0.170000 2.212000 4.576000 H -0.660000 2.641000 5.447000 C -0.639000 1.014000 4.021000 H -1.497000 0.513000 4.465000 C -0.008000 0.457000 2.908000 H -0.378000 -0.469000 2.477000 C 2.890000 0.930000 0.293000 C 3.462000 2.246000 -0.023000 C 4.862000 2.413000 -0.055000 H 5.508000 1.559000 0.134000 C 5.422000 3.668000 -0.308000 H 6.503000 3.780000 -0.323000 C 4.599000 4.775000 -0.536000 H 5.037000 5.750000 -0.736000 C 3.207000 4.621000 -0.505000 H 2.561000 5.478000 -0.685000 C 2.642000 3.371000 -0.249000 H 1.562000 3.256000 -0.235000 C 3.303000 -0.455000 0.020000 C 4.433000 -1.060000 -0.693000 C 5.053000 -2.220000 -0.183000 H 4.676000 -2.674000 0.729000 C 6.163000 -2.774000 -0.826000 H 6.632000 -3.665000 -0.415000 C 6.675000 -2.185000 -1.986000 H 7.538000 -2.618000 -2.485000 C 6.073000 -1.027000 -2.498000 H 6.469000 -0.560000 -3.396000 C 4.966000 -0.469000 -1.859000 H 4.507000 0.431000 -2.261000 C 2.278000 -0.948000 0.955000 C 2.010000 -2.258000 1.565000 C 1.808000 -2.364000 2.956000 H 1.829000 -1.468000 3.570000 C 1.613000 -3.612000 3.555000 H 1.471000 -3.674000 4.632000 C 1.615000 -4.777000 2.781000 H 1.469000 -5.747000 3.249000 C 1.824000 -4.686000 1.398000 H 1.842000 -5.588000 0.790000 C 2.020000 -3.442000 0.796000 H 2.191000 -3.378000 -0.275000 C -0.011000 0.815000 -1.807000 C 1.213000 0.702000 -2.547000 H 1.802000 1.512000 -2.959000 C 1.505000 -0.694000 -2.627000 H 2.386000 -1.125000 -3.088000 C 0.483000 -1.421000 -1.931000 H 0.466000 -2.498000 -1.821000 C -0.503000 -0.505000 -1.430000 C -0.964000 1.851000 -1.537000 N -2.117000 1.497000 -0.991000 C -2.973000 2.704000 -0.858000 H -3.918000 2.510000 -1.380000 C -2.147000 3.766000 -1.632000 H -2.551000 3.996000 -2.621000 H -1.965000 4.686000 -1.076000 O -0.828000 3.135000 -1.860000 C -3.292000 3.066000 0.613000 H -3.707000 2.149000 1.055000 C -2.049000 3.465000 1.423000 H -2.318000 3.608000 2.475000 H -1.622000 4.413000 1.070000 H -1.272000 2.695000 1.384000 C -4.375000 4.161000 0.661000 H -4.659000 4.372000 1.698000 H -5.279000 3.863000 0.116000 H -4.013000 5.102000 0.226000 C -3.950000 -1.750000 -1.440000 C -2.968000 -2.617000 -0.792000 C -2.930000 -2.240000 0.594000 C -3.963000 -1.213000 0.824000 C -4.602000 -0.934000 -0.414000 C -4.359000 -1.825000 -2.880000 H -5.180000 -2.548000 -2.991000 H -3.531000 -2.155000 -3.513000 H -4.712000 -0.857000 -3.248000 C -2.241000 -3.762000 -1.435000 H -1.969000 -3.537000 -2.470000 H -2.885000 -4.652000 -1.441000 H -1.330000 -4.014000 -0.884000 C -2.132000 -2.911000 1.671000 H -2.696000 -3.773000 2.058000 H -1.943000 -2.238000 2.512000 H -1.171000 -3.275000 1.300000 C -4.309000 -0.647000 2.170000 H -3.411000 -0.391000 2.740000 H -4.872000 -1.392000 2.751000 H -4.930000 0.248000 2.085000 C -5.766000 -0.015000 -0.652000 H -5.829000 0.765000 0.113000 H -6.704000 -0.585000 -0.626000 H -5.703000 0.468000 -1.633000 101 Cation 18 Ir 2.282000 -0.566000 -0.552000 C 3.510000 -2.061000 -1.488000 N 1.973000 1.481000 -0.332000 C 3.610000 -2.335000 -2.959000 C 4.431000 -1.194000 -0.730000 C 2.629000 -2.712000 -0.553000 C 0.478000 -0.342000 -1.456000 C 2.708000 2.610000 0.298000 C 0.876000 1.961000 -0.898000 H 3.909000 -1.440000 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