52
_1'_
Cl      4.369000    8.016000    4.233000
N       4.003000    4.564000    4.236000
N       3.688000    5.873000    1.873000
O       4.693000    7.235000    0.420000
C       4.255000    3.822000    5.439000
C       2.878000    4.435000    3.623000
C       3.535000    6.686000    0.833000
C       5.098000    2.698000    5.355000
C       2.623000    5.264000    2.409000
C       5.713000    2.274000    4.030000
H       5.565000    3.100000    3.315000
C       1.334000    5.429000    1.887000
H       0.474000    4.931000    2.328000
C       2.928000    5.568000    6.783000
H       2.817000    6.004000    5.781000
C       4.809000    2.382000    7.745000
H       5.019000    1.811000    8.653000
C       2.277000    6.931000    0.246000
H       2.163000    7.604000   -0.601000
C       4.021000    3.528000    7.810000
H       3.630000    3.860000    8.773000
C       3.730000    4.280000    6.664000
C       5.350000    1.977000    6.526000
H       5.989000    1.094000    6.484000
C       1.783000    3.502000    4.069000
H       1.400000    2.929000    3.212000
H       0.944000    4.081000    4.486000
H       2.142000    2.816000    4.843000
C       1.175000    6.283000    0.792000
H       0.184000    6.449000    0.366000
C       4.649000    8.237000   -0.592000
H       4.279000    7.827000   -1.548000
H       5.684000    8.576000   -0.718000
H       4.019000    9.087000   -0.282000
C       3.688000    6.605000    7.626000
H       3.799000    6.264000    8.669000
H       3.140000    7.561000    7.633000
H       4.689000    6.784000    7.211000
C       4.991000    1.046000    3.454000
H       5.089000    0.181000    4.131000
H       5.414000    0.762000    2.476000
H       3.914000    1.240000    3.318000
C       7.225000    2.044000    4.147000
H       7.456000    1.174000    4.783000
H       7.717000    2.926000    4.583000
H       7.661000    1.850000    3.153000
C       1.523000    5.317000    7.354000
H       0.964000    4.573000    6.763000
H       0.942000    6.253000    7.367000
H       1.572000    4.943000    8.390000
Sn      5.867000    6.137000    3.547000
Cl      6.902000    5.717000    5.800000
57
_2_
Sn     -1.040000    2.391000    0.596000
Cl     -2.909000    1.919000   -1.063000
Cl      0.250000    4.024000   -0.795000
N      -0.053000    3.964000    2.749000
C       1.151000    3.711000    3.433000
C      -0.724000    5.034000    2.943000
H      -0.439000    5.786000    3.694000
C       3.573000    3.039000    4.737000
N      -2.379000    4.442000    1.253000
C       3.355000    4.329000    4.228000
H       4.131000    5.088000    4.338000
C       0.695000    0.131000    3.090000
H       1.730000   -0.022000    2.777000
C       0.337000    1.339000    3.708000
C       2.172000    4.687000    3.575000
C       4.837000    2.693000    5.429000
C       1.769000    6.261000    1.650000
H       1.614000    5.406000    0.991000
C      -1.933000    5.335000    2.168000
C      -4.189000    5.928000    0.719000
H      -5.077000    6.115000    0.114000
C       6.028000    1.490000    7.181000
H       6.005000    0.814000    8.039000
C       2.055000    6.063000    3.012000
C       1.363000    2.395000    3.910000
C      -1.963000    0.552000    3.825000
H      -3.001000    0.719000    4.119000
C      -3.479000    4.734000    0.549000
H      -3.780000    3.980000   -0.183000
C       1.661000    7.553000    1.135000
H       1.433000    7.685000    0.076000
C       2.139000    8.475000    3.318000
H       2.286000    9.336000    3.974000
C       2.562000    2.084000    4.557000
H       2.710000    1.065000    4.917000
C       4.838000    1.817000    6.529000
H       3.893000    1.408000    6.891000
C      -2.590000    6.550000    2.391000
H      -2.191000    7.246000    3.129000
C      -1.599000   -0.637000    3.185000
H      -2.354000   -1.395000    2.965000
C      -1.003000    1.530000    4.087000
H      -1.292000    2.453000    4.589000
C       2.247000    7.182000    3.837000
H       2.463000    7.035000    4.898000
C       6.064000    3.232000    5.003000
H       6.090000    3.892000    4.134000
C       7.241000    2.032000    6.748000
H       8.171000    1.776000    7.258000
C      -0.266000   -0.848000    2.826000
H       0.027000   -1.772000    2.323000
C       7.253000    2.904000    5.655000
H       8.197000    3.326000    5.302000
C       1.841000    8.665000    1.966000
H       1.754000    9.675000    1.559000
C      -3.735000    6.854000    1.654000
H      -4.259000    7.799000    1.808000
63
_3_
Cl      4.637000    9.048000    2.905000
N       3.977000    4.604000    4.300000
N       3.478000    6.087000    1.999000
C       4.261000    3.863000    5.480000
C       2.926000    4.370000    3.626000
C       5.055000    2.687000    5.382000
C       2.618000    5.128000    2.400000
C       1.449000    4.837000    1.688000
H       0.781000    4.054000    2.048000
C       4.873000    2.425000    7.823000
C       2.057000    6.546000    0.121000
H       1.881000    7.138000   -0.778000
C       4.131000    3.603000    7.872000
H       3.785000    3.957000    8.835000
C       3.812000    4.358000    6.731000
C       5.325000    2.001000    6.571000
H       5.918000    1.093000    6.522000
C       1.164000    5.558000    0.528000
H       0.259000    5.350000   -0.045000
Sn      5.646000    6.771000    3.156000
Cl      6.549000    6.493000    0.837000
H       2.195000    3.597000    3.916000
C       3.203000    6.778000    0.886000
H       3.930000    7.540000    0.606000
C       2.977000    5.654000    6.906000
C       2.934000    6.094000    8.386000
H       2.405000    5.372000    9.026000
H       3.944000    6.247000    8.796000
H       2.392000    7.048000    8.459000
C       1.515000    5.409000    6.471000
H       0.902000    6.299000    6.691000
H       1.425000    5.212000    5.394000
H       1.083000    4.553000    7.013000
C       3.560000    6.848000    6.121000
H       4.637000    6.965000    6.317000
H       3.413000    6.759000    5.040000
H       3.059000    7.779000    6.430000
C       5.606000    2.118000    4.047000
C       6.278000    3.199000    3.173000
H       7.001000    3.789000    3.757000
H       6.823000    2.723000    2.344000
H       5.557000    3.887000    2.719000
C       6.683000    1.042000    4.303000
H       7.514000    1.433000    4.909000
H       6.278000    0.150000    4.803000
H       7.095000    0.712000    3.338000
C       4.473000    1.435000    3.250000
H       3.711000    2.148000    2.908000
H       4.886000    0.945000    2.353000
H       3.973000    0.666000    3.861000
C       5.216000    1.605000    9.075000
C       4.634000    2.225000   10.355000
H       4.901000    1.603000   11.223000
H       5.030000    3.236000   10.536000
H       3.535000    2.288000   10.316000
C       6.749000    1.526000    9.229000
H       7.017000    0.939000   10.123000
H       7.222000    1.046000    8.359000
H       7.184000    2.533000    9.335000
C       4.641000    0.180000    8.924000
H       3.546000    0.210000    8.812000
H       5.056000   -0.334000    8.044000
H       4.881000   -0.428000    9.812000
35
_7'_
C      -4.387000    0.097000   -0.437000
C      -3.377000   -0.375000    0.411000
C      -2.369000    1.706000    0.500000
C      -3.340000    2.257000   -0.345000
C      -4.363000    1.436000   -0.823000
H      -5.175000   -0.578000   -0.775000
H      -3.348000   -1.413000    0.760000
H      -3.292000    3.313000   -0.615000
H      -5.133000    1.840000   -1.483000
C      -1.303000    2.561000    1.068000
H      -1.402000    3.649000    0.886000
C       0.568000    2.903000    2.484000
H       0.141000    3.048000    3.491000
H       0.704000    3.897000    2.013000
C       1.927000    2.203000    2.642000
H       2.364000    2.043000    1.641000
H       2.612000    2.855000    3.220000
C       2.326000    0.573000    4.323000
H       3.048000    1.237000    4.838000
C       2.060000   -0.730000    4.972000
C       2.734000   -1.077000    6.147000
C       2.438000   -2.296000    6.762000
H       3.474000   -0.397000    6.574000
C       0.846000   -2.698000    5.006000
C       1.475000   -3.121000    6.185000
H       2.948000   -2.591000    7.681000
H       0.066000   -3.293000    4.520000
H       1.201000   -4.077000    6.635000
N      -2.395000    0.407000    0.863000
N      -0.369000    2.062000    1.769000
N       1.734000    0.906000    3.250000
N       1.137000   -1.540000    4.414000
Sn     -0.398000   -0.706000    2.324000
Cl     -1.475000    0.481000    4.269000
Cl     -1.874000   -2.838000    2.615000
51
_1+_
Cl      4.419000    7.954000    4.533000
N       3.908000    4.587000    4.298000
N       3.685000    5.974000    2.050000
O       4.788000    7.405000    0.758000
C       4.240000    3.877000    5.507000
C       2.786000    4.447000    3.676000
C       3.642000    6.753000    0.965000
C       5.160000    2.811000    5.390000
C       2.611000    5.246000    2.433000
C       5.663000    2.343000    4.031000
H       5.585000    3.193000    3.329000
C       1.432000    5.274000    1.697000
H       0.565000    4.691000    2.002000
C       2.785000    5.501000    6.894000
H       2.611000    5.935000    5.899000
C       5.022000    2.537000    7.801000
H       5.324000    2.006000    8.706000
C       2.481000    6.837000    0.171000
H       2.448000    7.474000   -0.711000
C       4.135000    3.606000    7.887000
H       3.755000    3.911000    8.863000
C       3.723000    4.310000    6.746000
C       5.532000    2.146000    6.563000
H       6.227000    1.308000    6.508000
C       1.683000    3.540000    4.124000
H       1.357000    2.895000    3.295000
H       0.815000    4.140000    4.443000
H       2.006000    2.919000    4.966000
C       1.379000    6.086000    0.553000
H       0.464000    6.132000   -0.039000
C       4.879000    8.350000   -0.326000
H       4.743000    7.842000   -1.293000
H       5.890000    8.765000   -0.262000
H       4.136000    9.152000   -0.198000
C       3.428000    6.602000    7.754000
H       3.588000    6.257000    8.788000
H       2.772000    7.485000    7.791000
H       4.396000    6.918000    7.341000
C       4.759000    1.227000    3.480000
H       4.784000    0.349000    4.145000
H       5.094000    0.908000    2.480000
H       3.710000    1.552000    3.402000
C       7.133000    1.909000    4.046000
H       7.282000    0.988000    4.630000
H       7.781000    2.689000    4.474000
H       7.476000    1.699000    3.021000
C       1.427000    5.078000    7.478000
H       0.947000    4.286000    6.882000
H       0.743000    5.941000    7.516000
H       1.536000    4.696000    8.505000
Sn      5.538000    6.069000    3.487000
56
_4-5+_
Cl      6.343000    6.434000    3.896000
N       3.870000    4.270000    4.051000
N       3.616000    5.826000    1.801000
C       4.133000    3.653000    5.300000
C       2.725000    4.808000    3.788000
C       5.013000    2.546000    5.322000
C       2.542000    5.646000    2.606000
C       1.319000    6.270000    2.344000
H       0.478000    6.117000    3.022000
C       4.832000    2.433000    7.757000
C       2.319000    7.267000    0.396000
H       2.277000    7.905000   -0.487000
C       3.983000    3.554000    7.713000
H       3.585000    3.962000    8.642000
C       3.630000    4.184000    6.519000
C       5.347000    1.955000    6.541000
H       6.032000    1.107000    6.539000
C       1.209000    7.094000    1.223000
H       0.267000    7.597000    0.999000
Sn      5.614000    4.621000    2.436000
H       1.866000    4.682000    4.452000
C       3.508000    6.609000    0.723000
H       4.403000    6.721000    0.106000
C       5.603000    2.015000    4.066000
C       4.792000    1.519000    3.025000
C       7.002000    2.006000    3.899000
C       5.366000    1.040000    1.845000
H       3.708000    1.498000    3.156000
C       7.572000    1.530000    2.714000
H       7.636000    2.389000    4.701000
C       6.757000    1.051000    1.685000
H       4.727000    0.649000    1.051000
H       8.657000    1.537000    2.596000
H       7.203000    0.678000    0.762000
C       5.184000    1.791000    9.041000
C       5.377000    0.399000    9.118000
C       5.335000    2.558000   10.211000
C       5.706000   -0.207000   10.329000
H       5.235000   -0.218000    8.228000
C       5.671000    1.950000   11.420000
H       5.221000    3.642000   10.169000
C       5.856000    0.566000   11.484000
H       5.839000   -1.290000   10.374000
H       5.797000    2.561000   12.316000
H       6.117000    0.091000   12.431000
C       2.792000    5.416000    6.586000
C       1.496000    5.360000    7.120000
C       3.289000    6.645000    6.117000
C       0.699000    6.508000    7.167000
H       1.107000    4.408000    7.490000
C       2.490000    7.789000    6.166000
H       4.300000    6.701000    5.712000
C       1.192000    7.723000    6.684000
H      -0.307000    6.451000    7.586000
H       2.890000    8.740000    5.808000
H       0.571000    8.620000    6.724000
62
_6+_
Cl      5.247000    8.008000    4.285000
N       3.961000    4.672000    4.155000
N       3.876000    6.140000    1.872000
C       4.132000    3.877000    5.349000
C       2.885000    4.646000    3.466000
C       4.865000    2.666000    5.244000
C       2.767000    5.457000    2.251000
C       5.357000    1.938000    3.956000
C       1.578000    5.533000    1.527000
H       0.704000    4.968000    1.856000
C       2.860000    5.682000    6.893000
C       4.848000    2.516000    7.702000
C       2.670000    7.054000    0.017000
H       2.675000    7.705000   -0.857000
C       4.076000    3.677000    7.735000
H       3.768000    4.057000    8.705000
C       3.689000    4.396000    6.596000
C       5.206000    2.029000    6.447000
H       5.781000    1.111000    6.393000
C       1.529000    6.348000    0.391000
H       0.609000    6.430000   -0.189000
C       3.784000    6.685000    7.624000
H       4.204000    6.255000    8.544000
H       3.216000    7.587000    7.901000
H       4.618000    6.996000    6.978000
C       4.979000    0.437000    4.056000
H       5.470000   -0.074000    4.894000
H       5.286000   -0.083000    3.136000
H       3.892000    0.314000    4.174000
C       6.894000    2.068000    3.877000
H       7.380000    1.672000    4.780000
H       7.204000    3.121000    3.771000
H       7.284000    1.514000    3.008000
C       1.676000    5.300000    7.816000
H       1.031000    4.547000    7.337000
H       1.066000    6.194000    8.018000
H       1.995000    4.900000    8.787000
Sn      5.785000    5.869000    3.291000
H       2.037000    4.015000    3.761000
C       3.831000    6.920000    0.786000
H       4.745000    7.457000    0.528000
C       4.775000    2.397000    2.604000
H       3.676000    2.352000    2.583000
H       5.090000    3.406000    2.300000
H       5.144000    1.717000    1.823000
C       2.229000    6.429000    5.704000
H       2.964000    6.840000    5.005000
H       1.503000    5.805000    5.159000
H       1.664000    7.284000    6.106000
C       5.250000    1.824000    9.011000
C       3.974000    1.404000    9.771000
H       4.243000    0.905000   10.716000
H       3.341000    2.269000   10.020000
H       3.371000    0.703000    9.173000
C       6.065000    2.813000    9.871000
H       6.363000    2.336000   10.818000
H       6.978000    3.133000    9.346000
H       5.484000    3.715000   10.122000
C       6.106000    0.572000    8.765000
H       5.564000   -0.189000    8.182000
H       7.043000    0.813000    8.238000
H       6.378000    0.117000    9.729000
34
_7+_
Sn      0.886000    1.327000    7.513000
N       1.755000    1.972000   10.031000
C       0.788000    1.976000   10.972000
N      -0.809000    1.241000    9.334000
C       2.980000    2.361000   10.378000
H       3.735000    2.356000    9.587000
N      -1.453000    1.412000    6.646000
C       3.309000    2.769000   11.678000
H       4.328000    3.082000   11.910000
C       1.025000    2.362000   12.294000
H       0.215000    2.349000   13.026000
N       0.575000    1.305000    4.774000
C       2.314000    2.766000   12.653000
H       2.533000    3.077000   13.675000
Cl      0.686000    3.763000    7.399000
C      -0.558000    1.568000   10.544000
H      -1.348000    1.562000   11.312000
C      -2.153000    0.866000    8.919000
H      -2.902000    1.068000    9.703000
H      -2.157000   -0.218000    8.708000
C      -2.496000    1.634000    7.641000
H      -3.492000    1.345000    7.268000
H      -2.504000    2.714000    7.865000
C      -1.743000    1.399000    5.401000
H      -2.787000    1.487000    5.059000
C      -0.709000    1.303000    4.361000
C       1.538000    1.241000    3.854000
H       2.566000    1.247000    4.225000
C      -0.052000    1.174000    2.051000
H      -0.296000    1.126000    0.989000
C       1.274000    1.177000    2.479000
H       2.099000    1.134000    1.767000
C      -1.066000    1.239000    3.010000
H      -2.118000    1.242000    2.718000
36
_8++_
Sn     -4.342000    7.725000   10.120000
H      -3.687000    5.226000    8.623000
H      -2.439000    6.164000    8.474000
N      -6.243000    7.880000    8.672000
C      -6.295000    9.112000    7.886000
H      -6.494000    9.951000    8.576000
H      -7.100000    9.088000    7.136000
N      -3.864000    9.124000    8.199000
C      -4.935000    9.300000    7.211000
H      -4.803000    8.522000    6.441000
H      -4.877000   10.285000    6.721000
O      -3.401000    6.156000    8.615000
N      -5.932000    5.549000   10.097000
C      -7.162000    6.988000    8.611000
H      -8.049000    7.129000    7.976000
C      -5.839000    4.452000   10.855000
H      -4.914000    4.323000   11.424000
C      -7.075000    5.749000    9.393000
N      -1.736000    8.483000    9.850000
C      -6.863000    3.496000   10.939000
H      -6.733000    2.616000   11.571000
C      -8.029000    3.694000   10.205000
H      -8.845000    2.971000   10.246000
C      -8.139000    4.846000    9.415000
H      -9.041000    5.043000    8.834000
C      -2.738000    9.722000    8.048000
H      -2.585000   10.432000    7.221000
C      -1.601000    9.481000    8.942000
C      -0.725000    8.255000   10.694000
H      -0.865000    7.453000   11.424000
C       0.471000    8.988000   10.665000
H       1.268000    8.754000   11.372000
C       0.615000   10.003000    9.722000
H       1.531000   10.593000    9.671000
C      -0.443000   10.256000    8.841000
H      -0.372000   11.047000    8.092000
33
_8'++_
Sn     -5.062000    8.849000   10.407000
N      -6.526000    8.372000    8.618000
C      -6.748000    9.504000    7.726000
H      -7.282000   10.279000    8.297000
H      -7.366000    9.236000    6.856000
N      -4.343000    9.619000    8.266000
C      -5.356000   10.025000    7.276000
H      -5.088000    9.613000    6.291000
H      -5.371000   11.122000    7.194000
N      -5.503000    6.466000   10.214000
C      -6.937000    7.179000    8.420000
H      -7.605000    6.913000    7.587000
C      -5.041000    5.538000   11.062000
H      -4.272000    5.853000   11.770000
C      -6.472000    6.116000    9.324000
N      -2.685000    8.425000   10.061000
C      -5.505000    4.217000   11.057000
H      -5.092000    3.497000   11.765000
C      -6.490000    3.852000   10.142000
H      -6.875000    2.832000   10.115000
C      -6.981000    4.820000    9.257000
H      -7.755000    4.574000    8.529000
C      -3.107000    9.494000    7.951000
H      -2.730000    9.764000    6.953000
C      -2.154000    8.950000    8.926000
C      -1.859000    7.939000   10.997000
H      -2.317000    7.545000   11.907000
C      -0.468000    7.929000   10.838000
H       0.163000    7.515000   11.625000
C       0.080000    8.449000    9.668000
H       1.160000    8.457000    9.513000
C      -0.779000    8.970000    8.692000
H      -0.387000    9.396000    7.767000
69
_1+[L-LA]_
Cl      4.416000    8.155000    2.692000
N       3.919000    4.891000    3.786000
N       3.105000    5.564000    1.336000
C       4.523000    4.473000    5.025000
C       2.678000    4.657000    3.518000
C       5.219000    3.246000    5.036000
C       2.172000    5.090000    2.187000
C       5.214000    2.305000    3.837000
C       0.828000    5.028000    1.829000
H       0.076000    4.644000    2.515000
C       3.695000    6.643000    6.133000
C       1.420000    5.990000   -0.312000
H       1.144000    6.355000   -1.299000
C       5.159000    4.926000    7.293000
H       5.142000    5.565000    8.177000
C       4.473000    5.333000    6.141000
C       5.878000    2.886000    6.218000
H       6.412000    1.935000    6.268000
C       0.460000    5.491000    0.557000
H      -0.586000    5.464000    0.249000
C       4.583000    7.852000    6.462000
H       5.007000    7.777000    7.477000
H       3.986000    8.777000    6.423000
H       5.398000    7.947000    5.733000
C       6.626000    1.884000    3.405000
H       7.241000    2.761000    3.157000
H       6.575000    1.236000    2.517000
H       7.138000    1.312000    4.195000
C       2.497000    6.565000    7.095000
H       1.842000    5.709000    6.869000
H       1.895000    7.485000    7.033000
H       2.832000    6.455000    8.139000
Sn      5.365000    5.962000    2.185000
C       2.759000    6.008000    0.127000
C       4.333000    1.076000    4.123000
H       4.743000    0.486000    4.958000
H       3.308000    1.369000    4.397000
H       4.280000    0.421000    3.239000
O       6.810000    6.537000    4.294000
C       7.622000    5.899000    4.949000
C       8.135000    6.449000    6.265000
O       8.070000    4.738000    4.498000
C       9.214000    7.507000    6.044000
H       7.264000    6.906000    6.750000
O       8.580000    5.440000    7.187000
C       9.057000    3.975000    5.255000
H       9.528000    7.903000    7.019000
H      10.094000    7.089000    5.535000
H       8.808000    8.328000    5.435000
C       9.051000    4.252000    6.751000
C      10.438000    4.153000    4.638000
H       8.725000    2.937000    5.142000
O       9.465000    3.433000    7.525000
H      11.147000    3.491000    5.156000
H      10.408000    3.882000    3.573000
H      10.795000    5.188000    4.731000
H       3.309000    6.808000    5.118000
H       4.765000    2.839000    2.985000
C       5.859000    3.720000    7.335000
H       6.394000    3.429000    8.241000
O       3.805000    6.456000   -0.577000
C       3.578000    7.066000   -1.858000
H       2.919000    7.942000   -1.758000
H       4.566000    7.383000   -2.207000
H       3.150000    6.339000   -2.565000
C       1.732000    3.974000    4.459000
H       0.934000    4.673000    4.755000
H       1.254000    3.117000    3.962000
H       2.250000    3.630000    5.360000
74
_4-5+[L-LA]_
Cl      5.760000    7.205000    2.220000
N       4.057000    4.605000    3.875000
N       3.197000    5.460000    1.422000
C       4.555000    4.102000    5.108000
C       2.864000    5.075000    3.766000
C       5.194000    2.843000    5.074000
C       2.376000    5.592000    2.488000
C       1.113000    6.181000    2.382000
H       0.481000    6.276000    3.266000
C       5.751000    3.074000    7.445000
C       1.544000    6.507000    0.039000
H       1.256000    6.858000   -0.952000
C       5.111000    4.327000    7.445000
H       5.085000    4.911000    8.365000
C       4.495000    4.858000    6.305000
C       5.770000    2.346000    6.245000
H       6.251000    1.368000    6.213000
C       0.693000    6.649000    1.135000
H      -0.285000    7.119000    1.022000
Sn      5.526000    4.761000    1.968000
H       2.173000    5.072000    4.616000
C       2.793000    5.906000    0.230000
H       3.493000    5.788000   -0.600000
O       7.370000    4.597000    3.865000
C       7.769000    5.260000    4.810000
C       8.909000    4.816000    5.721000
O       7.216000    6.429000    5.112000
C       9.264000    3.352000    5.599000
H       9.785000    5.444000    5.471000
O       8.534000    5.067000    7.095000
C       7.839000    7.203000    6.192000
H      10.106000    3.123000    6.266000
H       8.405000    2.732000    5.886000
H       9.550000    3.122000    4.564000
C       7.999000    6.276000    7.392000
C       6.990000    8.416000    6.481000
H       8.840000    7.505000    5.839000
O       7.665000    6.548000    8.514000
H       7.518000    9.052000    7.204000
H       6.823000    8.983000    5.555000
H       6.026000    8.126000    6.914000
C       3.790000    6.168000    6.401000
C       4.015000    7.209000    5.482000
C       2.861000    6.370000    7.435000
C       3.314000    8.411000    5.588000
H       4.749000    7.091000    4.687000
C       2.165000    7.578000    7.543000
H       2.669000    5.568000    8.151000
C       2.385000    8.600000    6.617000
H       3.508000    9.207000    4.867000
H       1.447000    7.716000    8.354000
H       1.840000    9.542000    6.700000
C       5.265000    2.059000    3.812000
C       6.504000    1.585000    3.347000
C       4.112000    1.788000    3.051000
C       6.592000    0.887000    2.141000
H       7.406000    1.800000    3.918000
C       4.202000    1.089000    1.845000
H       3.137000    2.107000    3.419000
C       5.444000    0.645000    1.381000
H       7.564000    0.537000    1.788000
H       3.296000    0.880000    1.272000
H       5.515000    0.102000    0.437000
C       6.375000    2.527000    8.672000
C       7.017000    3.371000    9.596000
C       6.335000    1.144000    8.931000
C       7.605000    2.839000   10.744000
H       7.096000    4.441000    9.405000
C       6.920000    0.619000   10.083000
H       5.811000    0.477000    8.243000
C       7.559000    1.465000   10.993000
H       8.110000    3.506000   11.446000
H       6.867000   -0.455000   10.275000
H       8.018000    1.054000   11.894000
80
_6+[L-LA]_
Cl      4.895000    8.410000    2.618000
N       4.224000    4.900000    3.801000
N       3.386000    5.763000    1.318000
C       4.646000    4.435000    5.103000
C       3.039000    4.624000    3.403000
C       5.366000    3.207000    5.184000
C       2.529000    5.078000    2.105000
C       5.498000    2.166000    4.033000
C       1.210000    4.826000    1.720000
H       0.546000    4.267000    2.381000
C       3.600000    6.575000    6.351000
C       5.656000    3.596000    7.599000
C       1.653000    6.027000   -0.314000
H       1.346000    6.431000   -1.279000
C       4.913000    4.767000    7.464000
H       4.728000    5.358000    8.356000
C       4.380000    5.228000    6.249000
C       5.862000    2.839000    6.444000
H       6.410000    1.911000    6.536000
C       0.766000    5.311000    0.487000
H      -0.261000    5.135000    0.161000
C       4.632000    7.708000    6.560000
H       5.247000    7.525000    7.455000
H       4.113000    8.669000    6.701000
H       5.297000    7.801000    5.691000
C       6.526000    1.066000    4.385000
H       7.515000    1.476000    4.638000
H       6.647000    0.399000    3.520000
H       6.199000    0.442000    5.227000
C       5.940000    2.743000    2.672000
H       6.845000    3.359000    2.766000
H       5.155000    3.333000    2.182000
H       6.173000    1.916000    1.985000
C       2.650000    6.518000    7.574000
H       1.970000    5.655000    7.509000
H       2.040000    7.433000    7.600000
H       3.178000    6.462000    8.536000
Sn      5.691000    6.140000    2.226000
H       2.355000    4.046000    4.038000
C       2.960000    6.230000    0.142000
H       3.683000    6.794000   -0.452000
C       4.135000    1.457000    3.857000
H       3.785000    1.038000    4.813000
H       3.356000    2.134000    3.477000
H       4.229000    0.631000    3.134000
C       2.706000    6.970000    5.162000
H       3.260000    7.159000    4.240000
H       1.916000    6.225000    4.976000
H       2.198000    7.912000    5.419000
C       6.142000    3.147000    8.985000
C       4.897000    2.821000    9.841000
H       5.204000    2.479000   10.842000
H       4.249000    3.702000    9.969000
H       4.298000    2.024000    9.375000
C       6.945000    4.277000    9.664000
H       7.236000    3.969000   10.680000
H       7.863000    4.496000    9.100000
H       6.358000    5.204000    9.760000
C       7.033000    1.897000    8.913000
H       6.486000    1.028000    8.515000
H       7.928000    2.060000    8.296000
H       7.369000    1.630000    9.926000
O       6.906000    6.421000    4.424000
C       7.753000    5.650000    4.859000
C       8.153000    5.713000    6.314000
O       8.312000    4.770000    4.043000
C       9.052000    6.911000    6.605000
H       7.208000    5.814000    6.865000
O       8.736000    4.496000    6.815000
C       9.368000    3.880000    4.520000
H       9.268000    6.938000    7.682000
H      10.004000    6.851000    6.057000
H       8.534000    7.838000    6.321000
C       9.239000    3.549000    5.998000
C      10.735000    4.450000    4.172000
H       9.191000    2.948000    3.970000
O       9.612000    2.493000    6.434000
H      11.508000    3.713000    4.437000
H      10.791000    4.652000    3.093000
H      10.939000    5.381000    4.721000
52
_7+[L-LA]_
C      -4.009000   -0.509000   -1.113000
C      -2.941000   -0.908000   -0.299000
C      -2.975000    1.089000    0.856000
C      -4.050000    1.565000    0.098000
C      -4.574000    0.748000   -0.908000
H      -4.388000   -1.181000   -1.884000
H      -2.488000   -1.895000   -0.406000
H      -4.462000    2.557000    0.289000
H      -5.411000    1.091000   -1.519000
C      -2.385000    1.920000    1.919000
H      -2.900000    2.865000    2.156000
C      -0.827000    2.341000    3.664000
H      -1.188000    1.858000    4.588000
H      -1.193000    3.382000    3.644000
C       0.704000    2.312000    3.657000
H       1.073000    2.806000    2.741000
H       1.101000    2.861000    4.528000
C       2.072000    0.512000    4.408000
H       2.570000    1.186000    5.125000
C       2.521000   -0.890000    4.385000
C       3.555000   -1.321000    5.221000
C       3.956000   -2.659000    5.157000
H       4.037000   -0.621000    5.906000
C       2.280000   -2.995000    3.464000
C       3.310000   -3.510000    4.263000
H       4.760000   -3.026000    5.796000
H       1.732000   -3.621000    2.756000
H       3.592000   -4.560000    4.178000
N      -2.439000   -0.134000    0.664000
N      -1.336000    1.555000    2.549000
N       1.151000    0.928000    3.628000
N       1.895000   -1.719000    3.526000
Sn     -0.118000   -0.652000    2.094000
Cl     -1.430000   -1.247000    4.146000
C      -1.682000   -4.849000    3.398000
C      -3.831000   -3.465000    2.609000
C      -4.988000   -2.853000    1.855000
C      -0.530000   -5.823000    3.537000
H      -1.791000   -4.249000    4.321000
H      -0.766000   -6.549000    4.326000
H      -0.358000   -6.361000    2.594000
H       0.386000   -5.285000    3.814000
H      -3.667000   -2.939000    3.565000
H      -5.913000   -3.024000    2.421000
H      -4.831000   -1.773000    1.733000
H      -5.101000   -3.325000    0.869000
C      -1.497000   -3.843000    2.273000
O      -0.420000   -3.528000    1.800000
O      -2.883000   -5.623000    3.191000
O      -2.619000   -3.276000    1.814000
C      -4.023000   -4.953000    2.885000
O      -5.081000   -5.517000    2.836000
51
_8++[L-LA]_
Sn     -3.923000    7.570000    9.520000
N      -6.216000    7.662000    8.744000
C      -6.595000    8.951000    8.171000
H      -6.638000    9.690000    8.989000
H      -7.585000    8.914000    7.690000
N      -4.194000    9.223000    7.764000
C      -5.522000    9.356000    7.158000
H      -5.561000    8.667000    6.297000
H      -5.700000   10.379000    6.791000
N      -5.391000    5.250000    9.817000
C      -7.030000    6.672000    8.774000
H      -8.055000    6.774000    8.386000
C      -5.026000    4.080000   10.344000
H      -4.015000    4.024000   10.752000
C      -6.647000    5.366000    9.325000
N      -1.633000    8.728000    8.678000
C      -5.869000    2.960000   10.382000
H      -5.502000    2.020000   10.795000
C      -7.157000    3.076000    9.868000
H      -7.843000    2.228000    9.881000
C      -7.560000    4.308000    9.337000
H      -8.566000    4.443000    8.937000
C      -3.221000    9.955000    7.357000
H      -3.384000   10.738000    6.602000
C      -1.852000    9.776000    7.851000
C      -0.401000    8.541000    9.155000
H      -0.259000    7.690000    9.826000
C       0.676000    9.378000    8.825000
H       1.666000    9.179000    9.238000
C       0.454000   10.453000    7.968000
H       1.268000   11.125000    7.692000
C      -0.837000   10.658000    7.469000
H      -1.054000   11.492000    6.799000
C      -3.498000    4.035000    6.636000
C      -1.740000    3.484000    8.591000
C      -0.988000    3.304000    9.885000
C      -4.707000    4.331000    5.777000
H      -2.611000    3.831000    6.008000
H      -4.920000    3.462000    5.141000
H      -5.583000    4.538000    6.407000
H      -4.509000    5.201000    5.135000
H      -1.067000    3.400000    7.722000
H      -0.558000    2.293000    9.903000
H      -0.172000    4.035000    9.960000
H      -1.656000    3.398000   10.752000
C      -3.148000    5.153000    7.604000
O      -3.670000    6.272000    7.566000
O      -3.797000    2.874000    7.444000
O      -2.296000    4.864000    8.566000
C      -2.918000    2.522000    8.423000
O      -3.106000    1.561000    9.110000
