110
1a
C      -2.587800    1.208900   -1.083400
C      -1.317700    0.634200   -1.126200
C      -0.651400    0.314900    0.086500
C      -1.288700    0.585500    1.326700
C      -2.558500    1.160700    1.337600
C      -3.210600    1.473000    0.140500
C      -0.657100    0.354100   -2.389200
C       0.596100   -0.214800   -2.414500
C       1.285100   -0.545300   -1.180000
C       0.646800   -0.274300    0.059500
C       1.311900   -0.593600    1.272700
C       0.652000   -0.314300    2.536100
C      -0.600500    0.254800    2.561700
C       2.555400   -1.121100   -1.190500
C       3.205500   -1.433200    0.007400
C       2.581100   -1.168600    1.230500
C      -4.517300    2.061800    0.170900
C      -1.330200    0.677000   -3.606500
C       1.231300   -0.482400   -3.664900
C       4.511900   -2.023000   -0.005600
C      -5.626700    2.560000    0.203400
Si     -7.308800    3.312500    0.269500
C      -7.305400    4.885700   -0.758400
C      -7.711800    3.700600    2.063300
C      -8.546800    2.081500   -0.426300
C      -1.929000    0.962600   -4.626900
Si     -2.858100    1.392100   -6.162200
C      -4.458900    2.232900   -5.651600
C      -3.221800   -0.193900   -7.100800
C      -1.810800    2.552900   -7.202400
C       1.768400   -0.707000   -4.733600
Si      2.476700   -0.988900   -6.412800
C       1.477800    0.046400   -7.621600
C       2.333600   -2.813600   -6.832100
C       4.276600   -0.451400   -6.412400
C       5.621100   -2.522500    0.007800
Si      7.301500   -3.277400    0.082900
C       7.306700   -4.850000   -0.945900
C       7.682700   -3.666900    1.881500
C       8.548000   -2.047700   -0.599800
C      -1.235000    0.521200    3.812700
C      -1.768500    0.743100    4.883700
Si     -2.464300    1.017400    6.569400
C      -4.255700    0.452400    6.588300
C      -2.345200    2.844800    6.984600
C      -1.436000   -0.000700    7.768100
C       1.328100   -0.640900    3.750800
C       1.937800   -0.934400    4.762400
Si      2.898500   -1.390700    6.270200
C       1.854800   -2.534000    7.333300
C       3.322900    0.181100    7.207700
C       4.465400   -2.263100    5.708200
H      -3.098300    1.453500   -2.008900
H      -3.045800    1.366600    2.284800
H       3.042900   -1.327000   -2.137400
H       3.091200   -1.413900    2.155900
H      -8.293000    5.359400   -0.738000
H      -7.053600    4.673500   -1.801900
H      -6.576500    5.605700   -0.374800
H      -8.709000    4.145600    2.147600
H      -6.989900    4.406500    2.484800
H      -7.693900    2.793300    2.674800
H      -9.559300    2.498700   -0.399200
H      -8.547300    1.153600    0.153400
H      -8.311900    1.830400   -1.465000
H      -5.053100    2.500000   -6.532100
H      -4.258700    3.149900   -5.088800
H      -5.065900    1.575900   -5.021100
H      -3.761000    0.023900   -8.029000
H      -3.838300   -0.870300   -6.501200
H      -2.298900   -0.721200   -7.360900
H      -2.356100    2.854500   -8.103400
H      -0.879600    2.071000   -7.515200
H      -1.553000    3.457200   -6.643300
H       1.847400   -0.075700   -8.645200
H       1.536700    1.107800   -7.361100
H       0.423400   -0.248500   -7.601600
H       2.734900   -3.008400   -7.832600
H       1.289400   -3.139600   -6.815700
H       2.890600   -3.428600   -6.119000
H       4.720400   -0.596000   -7.403300
H       4.862100   -1.031400   -5.692600
H       4.371600    0.606600   -6.150200
H       8.293600   -5.324500   -0.916000
H       7.065400   -4.637500   -1.991700
H       6.573500   -5.569600   -0.569600
H       8.680100   -4.108900    1.979500
H       6.957000   -4.375200    2.292400
H       7.652700   -2.760600    2.494200
H       9.559500   -2.466600   -0.563700
H       8.544600   -1.120300   -0.019500
H       8.323100   -1.795300   -1.640500
H      -4.691500    0.591200    7.583600
H      -4.337200   -0.607100    6.327700
H      -4.857200    1.023100    5.874200
H      -2.738000    3.034800    7.989400
H      -2.920000    3.450000    6.277300
H      -1.306500    3.187200    6.955700
H      -1.794700    0.118200    8.796000
H      -0.386200    0.309200    7.734300
H      -1.482900   -1.063300    7.510200
H       2.412700   -2.842400    8.224200
H       1.572700   -3.435200    6.780800
H       0.937200   -2.037300    7.662800
H       3.883700   -0.055300    8.118400
H       2.419200    0.725600    7.497900
H       3.936400    0.848700    6.595300
H       5.078600   -2.549400    6.569500
H       5.068900   -1.615600    5.064400
H       4.228800   -3.171300    5.145300
170
1b
C       1.504600    2.678700   -0.010200
C       1.372700    1.291100   -0.027900
C       0.077700    0.707600   -0.018300
C      -1.065700    1.549700    0.002700
C      -0.902800    2.934200    0.013800
C       0.375000    3.504800    0.010600
C       2.534700    0.424200   -0.054000
C       2.388600   -0.947900   -0.071400
C       1.070000   -1.551800   -0.053400
C      -0.073300   -0.709600   -0.028700
C      -1.368300   -1.293200   -0.012700
C      -2.530500   -0.426300    0.008000
C      -2.384300    0.945900    0.010500
C       0.907100   -2.936300   -0.061200
C      -0.370400   -3.507000   -0.039700
C      -1.500000   -2.680800   -0.015500
C       0.526300    4.927100    0.031800
C       3.848200    0.977600   -0.048500
C       3.552000   -1.770000   -0.123000
C      -0.522000   -4.929500   -0.039600
C       0.655100    6.131600    0.054400
C       0.802200    7.553900    0.086700
C       5.000700    1.353200   -0.037000
C       6.394800    1.670300    0.002200
C       4.585400   -2.401000   -0.180300
C       5.858800   -3.045600   -0.274700
C      -0.652000   -6.134000   -0.035700
C      -0.801300   -7.556400   -0.026500
C      -3.548500    1.769100    0.004700
C      -4.582000    2.402300   -0.012700
C      -5.858100    3.046600   -0.065800
C      -3.843400   -0.979900    0.038000
C      -4.995900   -1.354400    0.072000
C      -6.389500   -1.669500    0.134300
C       2.066600    8.142000    0.195100
C       2.202300    9.525700    0.231700
C       1.090400   10.369400    0.161500
C      -0.171800    9.767600    0.050700
C      -0.321600    8.390900    0.013700
C       6.906600    2.852500   -0.539200
C       8.275700    3.102300   -0.516000
C       9.175000    2.188500    0.041000
C       8.646800    1.009600    0.588400
C       7.286600    0.750400    0.577700
C       6.083500   -4.323700    0.243600
C       7.345500   -4.905100    0.162400
C       8.420100   -4.236900   -0.430800
C       8.179200   -2.956200   -0.951600
C       6.927300   -2.368300   -0.884700
C      -2.065700   -8.143900    0.086400
C      -2.203900   -9.527800    0.099500
C      -1.094800  -10.372200    0.000600
C       0.167400   -9.770900   -0.113800
C       0.319600   -8.394000   -0.127800
C      -7.275200   -0.731700    0.678600
C      -8.641400   -0.986000    0.710900
C      -9.170100   -2.181700    0.215500
C      -8.269700   -3.119800   -0.311500
C      -6.905600   -2.876600   -0.357500
C      -6.092900    4.282400    0.543200
C      -7.359200    4.858400    0.502700
C      -8.427900    4.227600   -0.140300
C      -8.175800    2.992000   -0.755900
C      -6.920400    2.408700   -0.726900
C       1.199900   11.894800    0.199400
C       0.409500   12.432000    1.404400
C       0.613000   12.478900   -1.096800
C       2.651500   12.366400    0.327000
C      10.686300    2.422500    0.072100
C      11.170000    2.430900    1.532100
C      11.078400    3.754700   -0.573800
C      11.390900    1.288200   -0.692000
C       9.824200   -4.836200   -0.527000
C      10.811200   -3.934300    0.233500
C      10.243500   -4.918300   -2.004700
C       9.896100   -6.243700    0.072700
C      -1.207400  -11.897700    0.012300
C      -0.408900  -12.458000    1.201300
C      -0.632100  -12.460100   -1.298700
C      -2.659100  -12.368400    0.142600
C     -10.668000   -2.492900    0.224700
C     -11.148200   -2.720100   -1.218700
C     -11.490700   -1.352200    0.831600
C     -10.920100   -3.764900    1.051600
C      -9.835200    4.824200   -0.198100
C     -10.832500    3.838000    0.433800
C     -10.221300    5.070000   -1.666400
C      -9.931800    6.154100    0.555800
H       2.495000    3.122000   -0.012600
H      -1.777700    3.575400    0.026900
H       1.781900   -3.577400   -0.081700
H      -2.490100   -3.124200    0.002000
H       2.943900    7.505400    0.251100
H       3.199600    9.942600    0.318000
H      -1.061100   10.389700   -0.007200
H      -1.308000    7.946700   -0.073300
H       6.227000    3.571800   -0.985100
H       8.637500    4.028900   -0.947700
H       9.312700    0.274000    1.032100
H       6.894700   -0.168600    1.003500
H       5.266000   -4.856800    0.718600
H       7.481800   -5.897300    0.578300
H       8.987600   -2.401900   -1.421700
H       6.759600   -1.377200   -1.295400
H      -2.940800   -7.506600    0.164200
H      -3.201000   -9.944400    0.189900
H       1.054600  -10.393700   -0.193400
H       1.305900   -7.950300   -0.218400
H      -6.881000    0.202100    1.068400
H      -9.294800   -0.228600    1.130500
H      -8.643800   -4.062400   -0.701900
H      -6.228700   -3.612600   -0.779600
H      -5.280100    4.785900    1.056800
H      -7.504100    5.816100    0.990200
H      -8.978500    2.469400   -1.269700
H      -6.745400    1.449200   -1.204500
H       0.481600   13.524800    1.445400
H       0.805100   12.025300    2.340800
H      -0.650600   12.167900    1.342700
H       0.679300   13.572600   -1.080800
H      -0.439700   12.207300   -1.221500
H       1.161900   12.113000   -1.970700
H       2.680000   13.460500    0.352500
H       3.258800   12.036400   -0.522600
H       3.114600   11.998600    1.248700
H      12.252900    2.594500    1.569300
H      10.955800    1.482400    2.034400
H      10.680900    3.230500    2.097700
H      12.165100    3.879000   -0.526000
H      10.622000    4.603600   -0.053900
H      10.783700    3.794500   -1.627900
H      12.475500    1.444400   -0.681600
H      11.057100    1.256700   -1.734300
H      11.188700    0.311100   -0.241400
H      11.825800   -4.342400    0.163400
H      10.538700   -3.867400    1.291900
H      10.827500   -2.919700   -0.177200
H      11.248100   -5.347800   -2.088100
H      10.260800   -3.930900   -2.475800
H       9.550900   -5.550100   -2.570300
H      10.915900   -6.630100   -0.022700
H       9.226100   -6.937400   -0.446400
H       9.637700   -6.243000    1.136900
H      -0.482800  -13.551200    1.223000
H      -0.796600  -12.067500    2.147700
H       0.651200  -12.194600    1.136100
H      -0.702800  -13.553600   -1.302400
H       0.420900  -12.190600   -1.425800
H      -1.185500  -12.076000   -2.161800
H      -2.690200  -13.462700    0.147100
H      -3.272400  -12.020300   -0.695300
H      -3.113800  -12.017500    1.075100
H     -12.221100   -2.942700   -1.228200
H     -10.627000   -3.558100   -1.691400
H     -10.975800   -1.827800   -1.829500
H     -12.552600   -1.617600    0.813500
H     -11.369300   -0.421700    0.266200
H     -11.211300   -1.162300    1.873300
H     -11.990300   -4.000200    1.063800
H     -10.584600   -3.629400    2.084900
H     -10.391400   -4.627900    0.635300
H     -11.846000    4.253100    0.398000
H     -10.576600    3.643100    1.480400
H     -10.844200    2.880100   -0.095700
H     -11.229200    5.496100   -1.725400
H     -10.212800    4.142100   -2.246300
H      -9.523500    5.769500   -2.138100
H     -10.955400    6.537100    0.491700
H      -9.265700    6.910300    0.127200
H      -9.684500    6.035000    1.616200
122
1c
C       1.857500   -1.139100    2.632500
C       1.551500   -0.635100    1.369700
C       0.300600    0.001500    1.152300
C      -0.620200    0.115000    2.227600
C      -0.287900   -0.404000    3.478300
C       0.945100   -1.031200    3.688300
C       2.489200   -0.744400    0.266900
C       2.171200   -0.242400   -0.977400
C       0.893000    0.404600   -1.209300
C      -0.028400    0.519100   -0.134500
C      -1.280500    1.152800   -0.353500
C      -2.211900    1.272300    0.752400
C      -1.894200    0.770400    1.997500
C       0.552800    0.907200   -2.464000
C      -0.683500    1.527900   -2.677100
C      -1.590900    1.649400   -1.618900
C       1.275200   -1.564700    4.973800
C       3.751500   -1.370700    0.475800
C       3.105800   -0.369100   -2.045300
C      -1.012500    2.028400   -3.976300
C       1.562000   -2.025700    6.057000
C       1.914200   -2.581000    7.326200
C       4.833900   -1.895900    0.626300
C       6.115900   -2.508600    0.772300
C       3.929700   -0.498700   -2.925200
C       4.930800   -0.681200   -3.927800
C      -1.275900    2.440200   -5.084900
C      -1.572300    2.914900   -6.400300
C      -2.832000    0.894400    3.063100
C      -3.665200    1.024400    3.934200
C      -4.681700    1.195800    4.923600
C      -3.462000    1.929500    0.564800
C      -4.534400    2.487500    0.473300
C      -5.799800    3.149800    0.459700
C       0.988600   -2.630500    8.372600
C       1.325000   -3.179300    9.606200
C       2.609400   -3.690100    9.805900
C       3.547100   -3.643600    8.766700
C       3.204100   -3.097300    7.545300
C       7.148400   -2.212300   -0.123700
C       8.398600   -2.810700   -0.002000
C       8.629200   -3.720400    1.032800
C       7.603900   -4.021400    1.938500
C       6.365400   -3.423400    1.810500
C       5.027800    0.185400   -5.019900
C       6.014800    0.016600   -5.986200
C       6.924300   -1.036200   -5.865800
C       6.834600   -1.914300   -4.777800
C       5.851200   -1.740400   -3.823000
C      -2.721800    3.684600   -6.651400
C      -3.001700    4.137800   -7.926200
C      -2.139700    3.834500   -8.987700
C      -0.993700    3.071300   -8.755800
C      -0.720200    2.619100   -7.469000
C      -6.327700    3.663300    1.659400
C      -7.557300    4.292400    1.674500
C      -8.292100    4.430900    0.489600
C      -7.778600    3.931700   -0.709700
C      -6.540200    3.296900   -0.716000
C      -6.021700    1.316900    4.540200
C      -7.025900    1.502400    5.485200
C      -6.692600    1.565500    6.840400
C      -5.355000    1.440000    7.236400
C      -4.363500    1.257900    6.291500
O       3.041700   -4.249600   10.963400
C       2.125100   -4.332400   12.032700
O       9.805600   -4.360300    1.243400
C      10.869300   -4.082500    0.358800
O       7.923700   -1.291200   -6.746200
C       8.049200   -0.433800   -7.859600
O      -2.502200    4.326700  -10.198700
C      -1.654900    4.057900  -11.294200
O      -9.486500    5.062400    0.608200
C     -10.255700    5.232100   -0.562500
O      -7.588000    1.744700    7.842500
C      -8.947800    1.876100    7.488400
H       2.814600   -1.622200    2.797600
H      -0.995300   -0.320500    4.296600
H       1.255400    0.814100   -3.285300
H      -2.548200    2.132600   -1.783100
H      -0.009400   -2.234500    8.214800
H       0.583100   -3.204400   10.395500
H       4.537400   -4.047000    8.948900
H       3.930900   -3.061600    6.740200
H       6.966500   -1.499200   -0.922200
H       9.178200   -2.559700   -0.711600
H       7.811000   -4.730800    2.732600
H       5.570700   -3.659000    2.511200
H       4.322300    1.005400   -5.109100
H       6.064400    0.707300   -6.819500
H       7.550000   -2.727200   -4.711700
H       5.777000   -2.423200   -2.981800
H      -3.389500    3.921500   -5.829400
H      -3.884000    4.733000   -8.136000
H      -0.313000    2.824100   -9.561700
H       0.168800    2.024500   -7.284800
H      -5.753200    3.559800    2.575300
H      -7.975600    4.693900    2.591500
H      -8.328700    4.027700   -1.638100
H      -6.141900    2.904800   -1.646300
H      -6.276000    1.264500    3.485600
H      -8.053500    1.593700    5.153800
H      -5.125700    1.492400    8.295400
H      -3.326900    1.166200    6.599700
H       2.657800   -4.817000   12.850700
H       1.794100   -3.336900   12.352300
H       1.249700   -4.934300   11.760700
H      11.709900   -4.687900    0.697200
H      10.613100   -4.357900   -0.671300
H      11.147000   -3.022100    0.391000
H       8.897400   -0.806200   -8.433700
H       7.147900   -0.457000   -8.483900
H       8.246000    0.598900   -7.546900
H      -2.116500    4.536600  -12.157600
H      -0.654200    4.477700  -11.135700
H      -1.569900    2.979900  -11.477200
H     -11.158900    5.759900   -0.256800
H      -9.718700    5.830700   -1.308200
H     -10.529000    4.265700   -1.003200
H      -9.491200    2.012000    8.423200
H      -9.108400    2.748000    6.842700
H      -9.315100    0.976800    6.979400
110
1d
C      -0.715000   -0.039400   -0.018700
C      -1.366600   -1.300800   -0.017900
C      -1.222700   -3.780000   -0.008700
C      -3.522600   -0.181800   -0.015400
C      -2.883600    1.061800   -0.016400
H      -3.476900    1.969900   -0.015100
C       1.595200   -3.637100   -0.017300
C       1.360300    1.294400   -0.016700
C      -0.564000   -2.511600   -0.016700
C       1.485500   -1.156200   -0.020300
C      -1.599100    3.631500   -0.012400
C       0.809900   -2.442400   -0.019000
C       0.708700    0.032800   -0.019000
C       1.215600    3.773800   -0.006000
C      -1.491700    1.149600   -0.017600
C      -0.816100    2.435600   -0.015200
C       2.280400   -4.634700   -0.015600
C      -1.795800   -4.845500    0.002500
C      -2.760300   -1.354200   -0.016400
H      -3.258100   -2.318000   -0.015200
C       2.877400   -1.067800   -0.019700
H       3.471000   -1.975700   -0.020400
C       2.753900    1.348200   -0.015800
H       3.251600    2.312100   -0.013300
C       3.516300    0.175900   -0.016700
C      -2.274700    4.635600   -0.009800
C       0.557700    2.505000   -0.013500
C       1.785800    4.841000    0.002800
C      -4.955700   -0.252700   -0.010300
C       3.114900   -5.847900   -0.012600
C       6.157600    0.304800   -0.001700
C      -6.164100   -0.307900   -0.003300
C       4.949300    0.247400   -0.010500
C      -3.086900    5.863500   -0.004800
C      -2.474000   -6.152300    0.022600
C       2.460600    6.149600    0.014100
C       7.629400    0.371800    0.014900
C      -7.636000   -0.375400    0.009100
C      -2.760200    6.677300    1.258000
H      -3.352400    7.599100    1.267600
H      -2.992100    6.104100    2.160200
H      -1.699200    6.943100    1.284300
C      -4.576700    5.485300   -0.008800
H      -5.189900    6.393200   -0.004700
H      -4.826800    4.901300   -0.899600
H      -4.829200    4.891500    0.874800
C       2.970700   -6.556300    1.344200
H       3.298300   -5.905000    2.159600
H       1.929000   -6.836300    1.526700
H       3.583600   -7.464400    1.354400
C      -3.082600   -6.382700    1.415800
H      -2.305500   -6.370600    2.185600
H      -3.813800   -5.604400    1.653100
H      -3.587000   -7.355100    1.443000
C       4.582100   -5.448900   -0.237900
H       5.214500   -6.343600   -0.237500
H       4.701900   -4.939200   -1.198500
H       4.928200   -4.778200    0.554500
C       2.650800   -6.784700   -1.139400
H       1.605900   -7.074700   -0.995400
H       2.741300   -6.295500   -2.113500
H       3.267700   -7.690200   -1.144600
C      -3.585900   -6.164600   -1.038400
H      -4.322800   -5.380900   -0.838400
H      -3.171200   -6.000200   -2.037100
H      -4.097600   -7.133500   -1.028000
C      -1.447400   -7.253500   -0.284900
H      -1.006200   -7.105400   -1.275200
H      -0.641900   -7.247100    0.456200
H      -1.935500   -8.234200   -0.262200
C      -2.756100    6.691200   -1.257600
H      -1.695500    6.958700   -1.276700
H      -2.984300    6.127100   -2.166500
H      -3.350000    7.611900   -1.259700
C       1.518000    7.204400   -0.586700
H       1.253800    6.947500   -1.616900
H       0.595700    7.273800   -0.001700
H       2.007300    8.184800   -0.584600
C      -8.207000    1.045600    0.136900
H      -7.866400    1.518300    1.062700
H      -7.890300    1.668000   -0.705100
H      -9.301900    1.005300    0.148100
C       8.194100   -0.626100   -1.009100
H       7.882100   -1.646700   -0.768700
H       7.844300   -0.387700   -2.017700
H       9.289000   -0.585300   -1.000400
C      -8.125500   -1.015400   -1.300200
H      -7.812800   -0.421400   -2.163800
H      -7.721200   -2.025400   -1.413500
H      -9.219600   -1.076100   -1.296200
C       2.804800    6.527000    1.464600
H       1.899600    6.582100    2.076100
H       3.475700    5.786300    1.909300
H       3.301200    7.503700    1.484800
C      -8.092000   -1.228000    1.204400
H      -7.692100   -2.243500    1.130600
H      -7.748800   -0.790900    2.146500
H      -9.186100   -1.284700    1.223600
C       3.748500    6.064500   -0.820400
H       4.429600    5.313400   -0.408900
H       3.523200    5.794800   -1.856200
H       4.257700    7.034700   -0.815400
C       8.135000    0.011800    1.421600
H       7.740700    0.709700    2.165800
H       7.823200   -0.999300    1.698900
H       9.229500    0.058000    1.445000
C       8.076000    1.796800   -0.347700
H       7.724500    2.071400   -1.346500
H       7.678600    2.521600    0.368800
H       9.169800    1.857500   -0.333900
122
2b
C      -2.826400    0.096500    1.206900
C      -1.429000    0.050800    1.226300
C      -0.714100    0.026800    0.000000
C      -1.429000    0.050800   -1.226300
C      -2.826400    0.096500   -1.206900
C      -3.513900    0.119600    0.000000
C      -0.689400    0.022900    2.472800
C       0.689400   -0.022900    2.472800
C       1.429000   -0.050800    1.226300
C       0.714100   -0.026700   -0.000000
C       1.429000   -0.050800   -1.226300
C       0.689400   -0.022900   -2.472800
C      -0.689400    0.022900   -2.472800
C       2.826400   -0.096500    1.206900
C       3.513900   -0.119500   -0.000000
C       2.826400   -0.096500   -1.206900
C      -1.387000    0.029000    3.715900
C       1.387000   -0.029000    3.715900
C      -1.928700    0.021000    4.800200
C      -2.495800   -0.011800    6.112300
C       1.928700   -0.021000    4.800200
C       2.495800    0.011800    6.112300
C      -1.387000    0.029000   -3.715900
C      -1.928700    0.021000   -4.800200
C      -2.495800   -0.011800   -6.112300
C       1.387000   -0.029000   -3.715900
C       1.928700   -0.021000   -4.800200
C       2.495800    0.011800   -6.112300
C      -3.765700    0.509600    6.374900
C      -4.288900    0.478300    7.663800
C      -3.569500   -0.068500    8.729700
C      -2.297100   -0.590600    8.452200
C      -1.765000   -0.569900    7.173400
C       3.765600   -0.509700    6.375000
C       4.288900   -0.478400    7.663800
C       3.569500    0.068500    8.729700
C       2.297200    0.590600    8.452200
C       1.765100    0.570000    7.173400
C       1.765100    0.570000   -7.173400
C       2.297200    0.590600   -8.452200
C       3.569500    0.068500   -8.729700
C       4.288900   -0.478400   -7.663800
C       3.765600   -0.509700   -6.375000
C      -3.765700    0.509600   -6.374900
C      -4.288900    0.478300   -7.663800
C      -3.569500   -0.068500   -8.729700
C      -2.297100   -0.590600   -8.452200
C      -1.765000   -0.569900   -7.173400
C      -4.108600   -0.116400   10.160700
C      -4.162000   -1.578300   10.635900
C      -5.516100    0.477300   10.269700
C      -3.171600    0.684700   11.080500
C       4.108500    0.116300   10.160700
C       3.171500   -0.684600   11.080600
C       4.162100    1.578300   10.635800
C       5.516000   -0.477500   10.269800
C       4.108500    0.116300  -10.160700
C       3.171500   -0.684600  -11.080600
C       5.516000   -0.477500  -10.269800
C       4.162100    1.578300  -10.635800
C      -4.108600   -0.116400  -10.160700
C      -4.162000   -1.578300  -10.635900
C      -3.171600    0.684700  -11.080500
C      -5.516100    0.477300  -10.269700
H      -3.364100    0.111700    2.149500
H      -3.364100    0.111700   -2.149500
H      -4.598800    0.153900    0.000000
H       3.364100   -0.111700    2.149500
H       4.598800   -0.153900   -0.000000
H       3.364100   -0.111700   -2.149500
H      -4.339800    0.945100    5.563000
H      -5.277200    0.893800    7.827400
H      -1.706500   -1.027500    9.253500
H      -0.780300   -0.984600    6.977900
H       4.339700   -0.945300    5.563100
H       5.277100   -0.893900    7.827500
H       1.706500    1.027600    9.253400
H       0.780400    0.984700    6.977800
H       0.780400    0.984700   -6.977800
H       1.706500    1.027600   -9.253400
H       5.277100   -0.893900   -7.827500
H       4.339700   -0.945300   -5.563100
H      -4.339800    0.945100   -5.563000
H      -5.277200    0.893800   -7.827400
H      -1.706500   -1.027500   -9.253500
H      -0.780300   -0.984600   -6.977900
H      -4.547200   -1.627700   11.660500
H      -3.171200   -2.042600   10.627300
H      -4.818400   -2.172200    9.991700
H      -5.858000    0.418600   11.308000
H      -6.233500   -0.070900    9.649800
H      -5.534100    1.531100    9.971900
H      -3.535000    0.648700   12.113700
H      -3.124600    1.733000   10.768000
H      -2.154100    0.281800   11.067400
H       3.534900   -0.648600   12.113700
H       3.124400   -1.733000   10.768100
H       2.154000   -0.281600   11.067400
H       4.547300    1.627700   11.660500
H       3.171400    2.042700   10.627300
H       4.818600    2.172100    9.991700
H       5.857900   -0.418700   11.308100
H       6.233500    0.070700    9.649900
H       5.533900   -1.531200    9.972000
H       3.534900   -0.648600  -12.113700
H       2.154000   -0.281600  -11.067400
H       3.124400   -1.733000  -10.768100
H       5.857900   -0.418700  -11.308100
H       5.533900   -1.531200   -9.972000
H       6.233500    0.070700   -9.649900
H       4.547300    1.627700  -11.660500
H       4.818600    2.172100   -9.991700
H       3.171400    2.042700  -10.627300
H      -4.547200   -1.627700  -11.660500
H      -4.818400   -2.172200   -9.991700
H      -3.171200   -2.042600  -10.627300
H      -3.535000    0.648700  -12.113700
H      -2.154100    0.281800  -11.067400
H      -3.124600    1.733000  -10.768000
H      -5.858000    0.418600  -11.308000
H      -5.534100    1.531100   -9.971900
H      -6.233500   -0.070900   -9.649800
74
3b
C      -0.049000    2.820000   -1.372400
C      -0.023700    1.425100   -1.391100
C      -0.013200    0.712300   -0.161600
C      -0.028300    1.424100    1.068500
C      -0.053100    2.818100    1.050100
C      -0.063800    3.522500   -0.160800
C      -0.007500    0.676700   -2.623300
C       0.017300   -0.676900   -2.623200
C       0.028200   -1.425200   -1.390900
C       0.012600   -0.712300   -0.161500
C       0.022500   -1.423900    1.068700
C       0.006600   -0.676500    2.301500
C      -0.017500    0.676700    2.301400
C       0.053500   -2.820000   -1.372000
C       0.063200   -3.522400   -0.160300
C       0.047500   -2.817900    1.050600
C      -0.090600    4.953000   -0.150800
C       0.090200   -4.952900   -0.150100
C      -0.114300    6.164000   -0.122300
C      -0.141800    7.593100   -0.064100
C       0.114000   -6.164000   -0.121600
C       0.141700   -7.593100   -0.063700
C      -0.194900    8.363900   -1.230000
C      -0.222700    9.752900   -1.158500
C      -0.198100   10.420400    0.068800
C      -0.143200    9.636300    1.230600
C      -0.116100    8.252500    1.174100
C       0.205200   -8.363300   -1.229400
C       0.233500   -9.752400   -1.158200
C       0.199000  -10.420400    0.068500
C       0.133600   -9.636800    1.230100
C       0.105900   -8.253100    1.174000
C      -0.226700   11.945500    0.187200
C       1.052800   12.423100    0.894100
C      -1.454100   12.368500    1.012200
C      -0.305600   12.630200   -1.180600
C       0.228200  -11.945500    0.186400
C      -1.056800  -12.424900    0.882300
C       1.448800  -12.367500    1.021800
C       0.319500  -12.629600   -1.180900
H      -0.057400    3.373000   -2.307100
H      -0.065000    3.370900    1.985000
H      -0.015700    1.230000   -3.558500
H       0.029400   -1.230100   -3.558400
H       0.014400   -1.230400    3.236200
H      -0.029300    1.230700    3.236100
H       0.065800   -3.373100   -2.306600
H       0.055400   -3.370700    1.985400
H      -0.215500    7.866200   -2.194300
H      -0.264600   10.315900   -2.084400
H      -0.121100   10.118400    2.204400
H      -0.075400    7.665300    2.085900
H       0.234000   -7.865200   -2.193300
H       0.283700  -10.314800   -2.084000
H       0.103300  -10.119300    2.203500
H       0.057100   -7.666300    2.085700
H       1.043200   13.514200    0.995600
H       1.941300   12.138200    0.321400
H       1.144800   11.992900    1.896000
H      -1.487200   13.459700    1.106100
H      -1.427500   11.945400    2.021200
H      -2.379300   12.035700    0.530700
H      -0.326200   13.716300   -1.044600
H      -1.212400   12.343800   -1.723900
H       0.562500   12.388400   -1.803000
H      -1.046900  -13.516000    0.983100
H      -1.940800  -12.140400    0.302600
H      -1.157500  -11.995600    1.883800
H       1.482500  -13.458800    1.115200
H       1.412900  -11.945200    2.030800
H       2.377800  -12.033200    0.548700
H       0.340300  -13.715700   -1.045100
H       1.230400  -12.341700   -1.716400
H      -0.543700  -12.388600   -1.810400
