26
Compound 15
O      -0.030700    2.440400   -0.483400
O       0.083900    1.395900    1.923500
H      -0.697300    1.814000    2.312400
C       1.476000    0.201500    0.047900
C       2.131300    0.331600   -1.179800
C       1.965700   -0.703200    0.995300
C       3.259100   -0.432000   -1.456700
H       1.761700    1.037800   -1.911700
C       3.094900   -1.463000    0.715800
H       1.475100   -0.807400    1.953500
C       3.741100   -1.330000   -0.509900
H       3.762500   -0.322900   -2.408700
H       3.472100   -2.156900    1.455900
H       4.620600   -1.923400   -0.724800
C      -1.471300    0.180200    0.050900
C      -2.239300    0.405600   -1.094700
C      -1.846600   -0.832500    0.940100
C      -3.365000   -0.369800   -1.347500
H      -1.955500    1.193400   -1.779700
C      -2.973000   -1.604500    0.685600
H      -1.266400   -1.015700    1.835300
C      -3.731900   -1.375200   -0.458800
H      -3.956000   -0.187300   -2.235800
H      -3.259800   -2.383300    1.380500
H      -4.609200   -1.978100   -0.655600
P      -0.001300    1.199200    0.328600

26
Compound 14
O       0.036500   -2.420400   -0.595100
O      -0.100800   -1.221800    2.019000
H       0.703000   -1.631800    2.368500
As      0.002300   -1.015000    0.254700
C      -1.607600    0.010700   -0.024500
C      -2.318700   -0.204700   -1.203900
C      -2.051000    0.947500    0.908900
C      -3.477700    0.523000   -1.450800
H      -1.974500   -0.941100   -1.918600
C      -3.211800    1.669300    0.655300
H      -1.508300    1.108200    1.830600
C      -3.922600    1.459000   -0.522900
H      -4.032600    0.356200   -2.364900
H      -3.561700    2.394000    1.379100
H      -4.825600    2.023900   -0.716100
C       1.604100    0.037100   -0.018200
C       2.426000   -0.286500   -1.096200
C       1.933700    1.092300    0.832300
C       3.582500    0.451600   -1.324200
H       2.165300   -1.112300   -1.745200
C       3.092000    1.824500    0.598500
H       1.303600    1.340900    1.676400
C       3.914100    1.505400   -0.478700
H       4.223700    0.201900   -2.159700
H       3.352900    2.642000    1.258100
H       4.815100    2.078100   -0.657500

26
Compound 16
O       0.126000   -2.287600   -1.345200
O      -0.254600   -1.745300    1.701900
H       0.229700   -2.577700    1.786500
Sb     -0.007100   -0.961200   -0.082600
C      -1.750600    0.252000   -0.097800
C      -1.767100    1.436700   -0.832800
C      -2.882600   -0.164800    0.601900
C      -2.924500    2.208200   -0.864600
H      -0.891400    1.768800   -1.376500
C      -4.034700    0.614000    0.565200
H      -2.869500   -1.081200    1.176900
C      -4.055700    1.796900   -0.167100
H      -2.939500    3.129300   -1.432800
H      -4.914500    0.295300    1.109400
H      -4.954300    2.399900   -0.192800
C       1.760400    0.214000    0.050800
C       2.776800   -0.011600   -0.875900
C       1.908500    1.178400    1.047300
C       3.948800    0.734900   -0.803700
H       2.659500   -0.763000   -1.646400
C       3.084300    1.918400    1.113400
H       1.124100    1.358400    1.771600
C       4.101400    1.697300    0.189200
H       4.740300    0.563300   -1.521900
H       3.204600    2.666900    1.886000
H       5.014200    2.276700    0.243400

26
Compound 20
O       0.202400   -2.298600   -1.261000
O      -0.178100   -1.548200    1.852000
H       0.017400   -2.494500    1.808900
Bi      0.011800   -0.766600   -0.078600
C       1.875100    0.467000    0.050800
C       3.004200   -0.015100   -0.600000
C       1.894200    1.660500    0.762400
C       4.185400    0.719500   -0.530400
H       2.973700   -0.944400   -1.154700
C       3.082100    2.385000    0.824100
H       1.011800    2.034300    1.265200
C       4.222600    1.914900    0.180300
H       5.072700    0.355100   -1.032100
H       3.112000    3.316100    1.375500
H       5.142600    2.482900    0.231700
C      -1.890100    0.413900   -0.100800
C      -2.053400    1.442200   -1.020800
C      -2.886700    0.071200    0.803800
C      -3.255800    2.145300   -1.031400
H      -1.271500    1.707800   -1.720200
C      -4.083200    0.784100    0.781200
H      -2.739300   -0.727800    1.518000
C      -4.266300    1.815900   -0.133800
H      -3.397300    2.949400   -1.742100
H      -4.869400    0.529900    1.480600
H      -5.198400    2.366000   -0.146800

29
Compound 15*H2O
O      -0.091300    1.743100    1.354000
O       0.013300    1.716700   -1.233000
H      -0.131400    2.682900   -1.050700
C      -1.434500   -0.220500   -0.009400
C      -2.207800   -0.483400    1.123700
C      -1.764200   -0.831300   -1.223700
C      -3.296300   -1.345300    1.044000
H      -1.960200   -0.005400    2.062300
C      -2.853000   -1.690100   -1.300300
H      -1.178300   -0.631500   -2.111700
C      -3.618800   -1.949200   -0.166500
H      -3.892800   -1.542000    1.925600
H      -3.105900   -2.155600   -2.244300
H      -4.466900   -2.619200   -0.228500
C       1.481200   -0.121800    0.064800
C       1.899000   -0.777300    1.228100
C       2.223500   -0.269200   -1.109600
C       3.041800   -1.566200    1.215200
H       1.336500   -0.664200    2.146400
C       3.367100   -1.060500   -1.118700
H       1.913500    0.240500   -2.011600
C       3.776300   -1.709700    0.041200
H       3.360800   -2.066400    2.120500
H       3.939200   -1.166800   -2.031400
H       4.667300   -2.324500    0.032200
P      -0.014300    0.889300    0.130100
O      -0.415700    4.127200   -0.107300
H       0.291500    4.783300   -0.096500
H      -0.294400    3.581200    0.694600

29
Compound 14*H2O
O      -0.166100    1.798500    1.381100
O       0.070100    1.648300   -1.408700
H      -0.134500    2.590700   -1.198200
As     -0.013700    0.748100    0.107700
C      -1.536100   -0.429000   -0.043800
C      -2.617100   -0.234200    0.813200
C      -1.562600   -1.440600   -1.003300
C      -3.733300   -1.057000    0.705900
H      -2.582200    0.551600    1.556400
C      -2.682700   -2.256900   -1.105900
H      -0.721700   -1.596800   -1.667400
C      -3.765800   -2.065100   -0.252200
H      -4.575000   -0.910900    1.370500
H      -2.709100   -3.042600   -1.849700
H      -4.635500   -2.704500   -0.333500
C       1.615000   -0.287000    0.084400
C       1.743700   -1.371800    0.951800
C       2.667000    0.078400   -0.753700
C       2.932100   -2.091900    0.979200
H       0.927700   -1.660800    1.602400
C       3.852100   -0.649100   -0.721600
H       2.559600    0.917500   -1.427300
C       3.984600   -1.730800    0.143100
H       3.034400   -2.934300    1.650800
H       4.670200   -0.370700   -1.373200
H       4.908300   -2.294800    0.164600
O      -0.402900    4.068600   -0.134100
H      -1.294700    4.435200   -0.148000
H      -0.384700    3.421000    0.609600

29
Compound 16*H2O
O       0.211800   -1.944600   -1.442000
O      -0.113600   -1.646500    1.569100
H      -0.005100   -2.598400    1.349100
Sb      0.021400   -0.668800   -0.116000
C      -1.780800    0.455900   -0.101700
C      -1.975600    1.487300   -1.020200
C      -2.772500    0.128200    0.821600
C      -3.173700    2.193600   -1.010600
H      -1.210100    1.749800   -1.739500
C      -3.966900    0.842000    0.823300
H      -2.616700   -0.670500    1.534500
C      -4.166800    1.871300   -0.090800
H      -3.328800    2.995000   -1.721400
H      -4.739100    0.592600    1.539700
H      -5.097300    2.424400   -0.086100
C       1.730200    0.578500    0.048400
C       2.890700    0.201700   -0.625900
C       1.698000    1.740200    0.818400
C       4.029300    0.993900   -0.521700
H       2.908600   -0.697500   -1.228500
C       2.842000    2.525200    0.917400
H       0.796900    2.040500    1.338200
C       4.004300    2.152000    0.249100
H       4.933100    0.706300   -1.043300
H       2.823500    3.427700    1.514700
H       4.891900    2.766600    0.327700
O       0.170000   -4.112700    0.197500
H       1.024700   -4.556800    0.237900
H       0.234400   -3.460200   -0.546800

29
Compound 20*H2O
O       0.239200   -1.963500   -1.428000
O      -0.131600   -1.525700    1.688100
H       0.006400   -2.469000    1.459700
Bi      0.012500   -0.518100   -0.122000
C       1.855700    0.731800    0.064000
C       2.986400    0.305500   -0.621100
C       1.856100    1.883000    0.841700
C       4.154400    1.057100   -0.517600
H       2.967400   -0.591500   -1.226700
C       3.031900    2.623600    0.936300
H       0.970600    2.211400    1.369800
C       4.175300    2.211100    0.259100
H       5.044100    0.738000   -1.045300
H       3.049500    3.522400    1.539200
H       5.085300    2.792000    0.336000
C      -1.933100    0.585800   -0.094000
C      -2.171300    1.604200   -1.008200
C      -2.876600    0.204500    0.850500
C      -3.400700    2.257900   -0.970500
H      -1.430500    1.897900   -1.740300
C      -4.100600    0.869200    0.875100
H      -2.668800   -0.588300    1.556500
C      -4.360400    1.890900   -0.032400
H      -3.603000    3.053800   -1.675700
H      -4.847300    0.585200    1.605600
H      -5.313300    2.403600   -0.008400
O       0.262300   -4.025900    0.306700
H       1.143300   -4.412200    0.366300
H       0.300000   -3.372100   -0.444300

29
Compound 21
O       0.067600    2.584100   -0.066300
O       0.081700    0.986500    1.709200
H      -0.783100    1.149400    2.104000
C       1.587000    0.038300   -0.051500
C       1.763400   -1.042800   -0.919600
C       2.651800    0.422700    0.769600
C       2.968900   -1.735600   -0.952600
H       0.957600   -1.343200   -1.574500
C       3.867400   -0.249100    0.710800
H       2.533700    1.249000    1.455900
C       4.026600   -1.335600   -0.143500
H       3.082900   -2.581300   -1.619000
H       4.688000    0.072500    1.339800
H       4.970000   -1.865800   -0.179300
C      -1.590600    0.030100    0.032700
C      -2.701800    0.478500   -0.686700
C      -1.715100   -1.115700    0.824200
C      -3.915300   -0.194800   -0.601600
H      -2.617600    1.354800   -1.313800
C      -2.920000   -1.807800    0.880300
H      -0.869100   -1.472400    1.396000
C      -4.025100   -1.344200    0.174500
H      -4.772600    0.174300   -1.150200
H      -2.995500   -2.704500    1.482200
H      -4.966900   -1.875500    0.229000
P      -0.002900    0.949200   -0.029700
O      -0.138100    0.966400   -1.723800
H       0.537700    1.525000   -2.127400
H       0.206200    2.918500    0.830300

29
Compound 22
O      -0.160800   -1.054300   -1.805900
O       0.072000   -0.851100    1.913700
H      -0.809900   -0.998600    2.275700
As     -0.006400   -0.849300    0.026200
C      -1.690500    0.138300    0.030800
C      -2.739500   -0.242000   -0.805100
C      -1.841300    1.228000    0.889000
C      -3.939600    0.460700   -0.770900
H      -2.617200   -1.076000   -1.480300
C      -3.035600    1.940900    0.900600
H      -1.034400    1.521300    1.546400
C      -4.087000    1.554600    0.075800
H      -4.757000    0.155600   -1.411900
H      -3.143700    2.794500    1.557600
H      -5.019100    2.105100    0.092900
C       1.686200    0.114800   -0.055300
C       1.983400    0.870300   -1.189900
C       2.604000    0.045900    0.993800
C       3.188300    1.561200   -1.268700
H       1.280500    0.911600   -2.009000
C       3.815700    0.721700    0.898700
H       2.372400   -0.527100    1.878700
C       4.107400    1.483900   -0.228100
H       3.408700    2.154700   -2.146900
H       4.529600    0.655700    1.710000
H       5.048300    2.015400   -0.294500
H       0.425300   -1.762100   -2.100600
O       0.086800   -2.636000    0.100100
H       0.234600   -2.861600    1.029900

29
Compound 23
O       0.082200   -1.587300   -1.560200
O      -0.077400   -0.157900    2.207900
H       0.776300   -0.257400    2.646000
Sb      0.001700   -0.720100    0.254900
C      -1.859300    0.253400   -0.106600
C      -2.524800    0.027000   -1.311200
C      -2.405100    1.115600    0.845500
C      -3.739300    0.659800   -1.559000
H      -2.094900   -0.636900   -2.047700
C      -3.618800    1.745700    0.588200
H      -1.890400    1.288100    1.779200
C      -4.286100    1.518500   -0.611300
H      -4.255700    0.481100   -2.493700
H      -4.041700    2.414500    1.327300
H      -5.230300    2.010900   -0.807200
C       1.860700    0.272900   -0.092500
C       2.727200   -0.185800   -1.084100
C       2.201400    1.387000    0.675500
C       3.937500    0.466800   -1.298100
H       2.454800   -1.042000   -1.684200
C       3.408400    2.040800    0.448000
H       1.534200    1.747800    1.446600
C       4.277400    1.579700   -0.535500
H       4.613000    0.105600   -2.063300
H       3.667900    2.908900    1.040600
H       5.217900    2.087500   -0.707900
O      -0.049700   -2.580400    0.906400
H      -0.169800   -2.515500   -1.487500
H      -0.183100   -2.554400    1.863900

29
Compound 24
O       0.052900   -1.678000    1.550500
O      -0.107000    0.295700   -2.259600
H       0.731200    0.167100   -2.720900
Bi      0.000300   -0.502700   -0.246400
C      -2.006500    0.369500    0.194700
C      -2.656900   -0.027400    1.355000
C      -2.561900    1.286600   -0.688700
C      -3.909500    0.514500    1.635400
H      -2.197600   -0.742800    2.022900
C      -3.814800    1.818800   -0.392600
H      -2.037300    1.574800   -1.588100
C      -4.485100    1.434000    0.764500
H      -4.431400    0.215100    2.535500
H      -4.263600    2.534100   -1.070100
H      -5.458500    1.851900    0.987600
C       2.013000    0.375700    0.184000
C       2.782200   -0.169400    1.203000
C       2.449100    1.453800   -0.574500
C       4.033800    0.385700    1.461700
H       2.412700   -1.004200    1.781300
C       3.700800    2.000500   -0.300200
H       1.835400    1.866300   -1.363700
C       4.490000    1.466200    0.713300
H       4.648900   -0.029400    2.250000
H       4.054100    2.843000   -0.880900
H       5.462700    1.893700    0.920600
O      -0.029000   -2.379500   -1.160000
H      -0.133100   -2.591700    1.299800
H      -0.185900   -2.212800   -2.100500

52
Compound 15_2
O      -1.203000   -0.497800    1.310300
O      -1.331700   -0.950100   -1.249500
H      -0.337800   -0.742900   -1.314100
C      -2.522300    1.292800   -0.262300
C      -2.684700    2.173300    0.811700
C      -2.763200    1.745500   -1.562900
C      -3.083700    3.485200    0.587300
H      -2.489900    1.833100    1.820300
C      -3.160100    3.059000   -1.784000
H      -2.630800    1.076700   -2.403100
C      -3.322900    3.928700   -0.710000
H      -3.204200    4.161700    1.423700
H      -3.338800    3.404000   -2.794300
H      -3.632000    4.951500   -0.884000
C      -3.520700   -1.425300    0.182400
C      -4.060900   -1.678100    1.446400
C      -4.156000   -1.937900   -0.952800
C      -5.220900   -2.433200    1.572800
H      -3.567400   -1.293000    2.329200
C      -5.314600   -2.693400   -0.821700
H      -3.742100   -1.758000   -1.935900
C      -5.849000   -2.939900    0.439700
H      -5.631200   -2.628500    2.555200
H      -5.798600   -3.092200   -1.703900
H      -6.751800   -3.529100    0.538900
P      -2.031100   -0.417400    0.058700
O       1.203000   -0.497800   -1.310300
O       1.331700   -0.950100    1.249500
H       0.337800   -0.742800    1.314100
C       2.522300    1.292800    0.262300
C       2.684700    2.173300   -0.811700
C       2.763200    1.745500    1.562900
C       3.083800    3.485200   -0.587300
H       2.489900    1.833100   -1.820300
C       3.160100    3.059000    1.784000
H       2.630800    1.076700    2.403100
C       3.322900    3.928700    0.710000
H       3.204300    4.161700   -1.423700
H       3.338800    3.404000    2.794300
H       3.632000    4.951500    0.884000
C       3.520700   -1.425300   -0.182400
C       4.060800   -1.678100   -1.446300
C       4.156000   -1.937900    0.952800
C       5.220800   -2.433200   -1.572800
H       3.567400   -1.293100   -2.329200
C       5.314600   -2.693400    0.821700
H       3.742100   -1.758000    1.935900
C       5.849000   -2.939900   -0.439700
H       5.631100   -2.628500   -2.555200
H       5.798700   -3.092200    1.703900
H       6.751700   -3.529100   -0.538900
P       2.031100   -0.417400   -0.058700

52
Compound 14_2
O       1.156400   -0.302700    1.437300
O       1.335100   -1.038700   -1.305600
H       0.365800   -0.745100   -1.365400
As      2.115200   -0.317900    0.078700
C       3.671300   -1.427600    0.334900
C       3.756000   -2.188700    1.498600
C       4.686600   -1.475200   -0.620000
C       4.861700   -3.007300    1.704100
H       2.965100   -2.138400    2.235400
C       5.787000   -2.297600   -0.408400
H       4.630000   -0.880100   -1.522500
C       5.874100   -3.062200    0.751900
H       4.931200   -3.599900    2.607100
H       6.576400   -2.339100   -1.147600
H       6.734000   -3.699400    0.914000
C       2.616800    1.470100   -0.457100
C       2.916400    2.411100    0.527900
C       2.677000    1.813500   -1.806500
C       3.280700    3.700100    0.156900
H       2.858900    2.145800    1.575800
C       3.042000    3.106000   -2.169300
H       2.433000    1.083900   -2.567100
C       3.344400    4.046400   -1.189900
H       3.511400    4.433600    0.918600
H       3.087100    3.377200   -3.216200
H       3.627100    5.051500   -1.475600
O      -1.156400   -0.302700   -1.437300
O      -1.335100   -1.038700    1.305600
H      -0.365800   -0.745100    1.365400
As     -2.115200   -0.317900   -0.078700
C      -3.671300   -1.427600   -0.334900
C      -3.756000   -2.188700   -1.498600
C      -4.686600   -1.475200    0.620000
C      -4.861700   -3.007300   -1.704100
H      -2.965100   -2.138400   -2.235400
C      -5.787000   -2.297600    0.408400
H      -4.630000   -0.880100    1.522500
C      -5.874100   -3.062100   -0.751900
H      -4.931200   -3.599900   -2.607100
H      -6.576400   -2.339100    1.147600
H      -6.734000   -3.699400   -0.914000
C      -2.616800    1.470100    0.457100
C      -2.916400    2.411100   -0.527900
C      -2.677000    1.813500    1.806500
C      -3.280600    3.700100   -0.156900
H      -2.858900    2.145800   -1.575800
C      -3.042000    3.106000    2.169300
H      -2.433000    1.083900    2.567100
C      -3.344400    4.046400    1.189900
H      -3.511400    4.433600   -0.918600
H      -3.087100    3.377200    3.216200
H      -3.627100    5.051500    1.475600

52
Compound 16_2
O      -1.103200   -0.058900   -1.545500
O      -1.357400   -0.895600    1.448300
H      -0.393500   -0.578500    1.476900
Sb     -2.262900   -0.194300   -0.104800
C      -3.017800    1.733600    0.378100
C      -2.574100    2.826400   -0.364300
C      -3.929300    1.904700    1.419600
C      -3.045100    4.099500   -0.058300
H      -1.868100    2.688000   -1.173200
C      -4.393300    3.181000    1.719700
H      -4.280800    1.060300    1.999300
C      -3.951900    4.275600    0.981900
H      -2.703300    4.951100   -0.632500
H      -5.099600    3.318900    2.528300
H      -4.316600    5.267200    1.218000
C      -3.815300   -1.625400   -0.323500
C      -4.873500   -1.383600   -1.199400
C      -3.752500   -2.813500    0.403200
C      -5.872700   -2.339900   -1.346900
H      -4.931600   -0.462800   -1.766500
C      -4.757700   -3.763300    0.249800
H      -2.931900   -2.997300    1.083900
C      -5.814500   -3.527200   -0.623400
H      -6.695400   -2.155500   -2.025700
H      -4.713400   -4.686400    0.813400
H      -6.594700   -4.268600   -0.740000
O       1.103300   -0.058900    1.545500
O       1.357400   -0.895700   -1.448200
H       0.393500   -0.578500   -1.476900
Sb      2.263000   -0.194300    0.104800
C       3.017800    1.733600   -0.378100
C       2.574100    2.826400    0.364300
C       3.929300    1.904700   -1.419600
C       3.045100    4.099500    0.058300
H       1.868100    2.688000    1.173200
C       4.393300    3.181000   -1.719700
H       4.280800    1.060300   -1.999300
C       3.951800    4.275700   -0.981900
H       2.703200    4.951100    0.632400
H       5.099600    3.318900   -2.528300
H       4.316500    5.267200   -1.218000
C       3.815400   -1.625400    0.323500
C       4.873500   -1.383600    1.199400
C       3.752500   -2.813400   -0.403200
C       5.872700   -2.339900    1.346900
H       4.931600   -0.462800    1.766600
C       4.757800   -3.763300   -0.249800
H       2.931900   -2.997300   -1.083900
C       5.814600   -3.527200    0.623400
H       6.695400   -2.155500    2.025700
H       4.713500   -4.686400   -0.813500
H       6.594700   -4.268500    0.740000

52
Compound 20_2
O       1.114800   -0.949400    1.516500
O       1.419800   -0.219800   -1.654100
H       0.451400   -0.474100   -1.542000
Bi      2.366200   -0.261500    0.169900
C       2.906000    1.869800    0.585900
C       2.263700    2.501400    1.643400
C       3.847200    2.527300   -0.197100
C       2.573000    3.831100    1.920000
H       1.534200    1.976000    2.246700
C       4.146700    3.856900    0.090200
H       4.346900    2.030300   -1.018400
C       3.511300    4.505000    1.145000
H       2.079700    4.335700    2.740900
H       4.877500    4.382100   -0.511500
H       3.749000    5.538100    1.363800
C       4.096200   -1.594900   -0.306100
C       5.197300   -1.633700    0.540700
C       4.021700   -2.378500   -1.450300
C       6.252400   -2.487300    0.227700
H       5.251100   -1.017500    1.428800
C       5.084700   -3.227300   -1.750500
H       3.158800   -2.330700   -2.101500
C       6.194600   -3.281200   -0.913400
H       7.117100   -2.528000    0.877700
H       5.041500   -3.844100   -2.639000
H       7.017700   -3.942600   -1.151500
O      -1.114800   -0.949400   -1.516500
O      -1.419800   -0.219800    1.654100
H      -0.451400   -0.474100    1.542000
Bi     -2.366200   -0.261500   -0.169900
C      -2.906000    1.869800   -0.585900
C      -2.263700    2.501400   -1.643400
C      -3.847200    2.527400    0.197000
C      -2.572900    3.831100   -1.920000
H      -1.534200    1.976000   -2.246700
C      -4.146700    3.856900   -0.090200
H      -4.346900    2.030300    1.018400
C      -3.511200    4.505000   -1.145000
H      -2.079600    4.335700   -2.740900
H      -4.877500    4.382100    0.511400
H      -3.748900    5.538100   -1.363800
C      -4.096200   -1.594900    0.306100
C      -5.197300   -1.633700   -0.540700
C      -4.021700   -2.378400    1.450300
C      -6.252400   -2.487300   -0.227700
H      -5.251100   -1.017500   -1.428900
C      -5.084700   -3.227200    1.750500
H      -3.158900   -2.330700    2.101500
C      -6.194700   -3.281200    0.913400
H      -7.117100   -2.528000   -0.877700
H      -5.041500   -3.844100    2.639000
H      -7.017800   -3.942500    1.151400

52
Compound 25
O      -0.341300   -0.072400   -1.058800
O       1.739000    0.157300   -2.205000
C       2.143700   -1.535300   -0.240600
C       1.743400   -2.469300    0.721300
C       3.339100   -1.771100   -0.934000
C       2.501600   -3.608700    0.967400
H       0.839400   -2.309500    1.286000
C       4.107700   -2.898300   -0.670700
H       3.668100   -1.068900   -1.685000
C       3.688300   -3.825300    0.277000
H       2.164500   -4.323600    1.707300
H       5.032400   -3.053100   -1.212200
H       4.282300   -4.708300    0.476900
C       2.033300    1.508600   -0.096500
C       2.756700    1.535600    1.097900
C       1.960800    2.666500   -0.872900
C       3.406600    2.695500    1.501600
H       2.815200    0.649400    1.715400
C       2.589900    3.834700   -0.454500
H       1.415700    2.655700   -1.806400
C       3.319000    3.850200    0.729300
H       3.975700    2.699200    2.422600
H       2.516400    4.729400   -1.059700
H       3.818000    4.756400    1.048800
P       1.185700   -0.016400   -0.637100
H       1.197800   -0.350100   -2.822000
O      -1.739000    0.157300    2.205000
C      -2.143700   -1.535400    0.240600
C      -1.743200   -2.469500   -0.721200
C      -3.339000   -1.771200    0.934000
C      -2.501400   -3.608900   -0.967300
H      -0.839100   -2.309600   -1.285800
C      -4.107600   -2.898500    0.670600
H      -3.668100   -1.069000    1.684900
C      -3.688100   -3.825500   -0.277000
H      -2.164200   -4.323800   -1.707200
H      -5.032300   -3.053300    1.212000
H      -4.282000   -4.708500   -0.476900
C      -2.033400    1.508500    0.096500
C      -2.756800    1.535500   -1.097900
C      -1.960900    2.666400    0.872900
C      -3.406700    2.695300   -1.501500
H      -2.815200    0.649300   -1.715400
C      -2.590100    3.834600    0.454500
H      -1.415800    2.655600    1.806400
C      -3.319200    3.850000   -0.729300
H      -3.975800    2.699000   -2.422600
H      -2.516600    4.729300    1.059700
H      -3.818300    4.756200   -1.048700
O       0.341300   -0.072400    1.058700
P      -1.185700   -0.016500    0.637100
H      -1.197800   -0.350300    2.822000

52
Compound 26
O      -0.340600   -0.033300    1.139200
O      -1.917000   -0.146100   -2.308400
As     -1.319800   -0.032000   -0.576700
C      -2.233900    1.646700   -0.151700
C      -2.108900    2.239300    1.106300
C      -3.043700    2.245000   -1.119200
C      -2.787300    3.420300    1.389100
H      -1.480500    1.783200    1.855500
C      -3.716200    3.427700   -0.830000
H      -3.144100    1.785800   -2.090800
C      -3.590300    4.017100    0.423200
H      -2.684700    3.873700    2.366900
H      -4.339500    3.886700   -1.587100
H      -4.115600    4.937300    0.646200
C      -2.284000   -1.637600   -0.029300
C      -2.706100   -1.773700    1.293300
C      -2.561300   -2.640800   -0.955600
C      -3.412700   -2.905900    1.682300
H      -2.479800   -1.006800    2.020500
C      -3.251200   -3.781600   -0.555200
H      -2.246500   -2.527500   -1.982400
C      -3.681700   -3.913200    0.760200
H      -3.747400   -3.003000    2.707300
H      -3.455800   -4.563600   -1.275400
H      -4.225300   -4.797800    1.067300
O       0.340600   -0.033300   -1.139200
O       1.917000   -0.146000    2.308400
As      1.319700   -0.032000    0.576700
C       2.233900    1.646700    0.151700
C       2.108900    2.239300   -1.106300
C       3.043700    2.245000    1.119200
C       2.787300    3.420300   -1.389100
H       1.480500    1.783200   -1.855500
C       3.716200    3.427800    0.830000
H       3.144100    1.785800    2.090800
C       3.590300    4.017100   -0.423200
H       2.684800    3.873600   -2.366900
H       4.339400    3.886700    1.587100
H       4.115600    4.937300   -0.646200
C       2.284000   -1.637600    0.029300
C       2.706100   -1.773700   -1.293300
C       2.561400   -2.640800    0.955600
C       3.412700   -2.905900   -1.682300
H       2.479700   -1.006900   -2.020500
C       3.251200   -3.781600    0.555200
H       2.246500   -2.527500    1.982400
C       3.681800   -3.913200   -0.760200
H       3.747300   -3.003000   -2.707300
H       3.455900   -4.563600    1.275400
H       4.225300   -4.797800   -1.067300
H       1.171400    0.061700    2.884600
H      -1.171400    0.061700   -2.884600

52
Compound 27
O       0.314600   -0.000000   -1.232200
O       2.202200    0.000000    2.357400
Sb      1.487900    0.000000    0.477600
C       2.473000   -1.818600   -0.050600
C       2.303100   -2.358200   -1.325500
C       3.305200   -2.449500    0.874000
C       2.967300   -3.531000   -1.672100
H       1.652800   -1.869500   -2.037500
C       3.964400   -3.623100    0.519800
H       3.431500   -2.028700    1.861500
C       3.796700   -4.163400   -0.751200
H       2.834200   -3.950300   -2.661500
H       4.608400   -4.114000    1.238600
H       4.311000   -5.076400   -1.023500
C       2.473000    1.818700   -0.050600
C       2.303100    2.358200   -1.325500
C       3.305200    2.449500    0.874000
C       2.967200    3.531100   -1.672100
H       1.652800    1.869600   -2.037500
C       3.964400    3.623100    0.519800
H       3.431500    2.028700    1.861500
C       3.796600    4.163400   -0.751200
H       2.834100    3.950300   -2.661500
H       4.608400    4.114100    1.238600
H       4.310900    5.076400   -1.023500
O      -0.314600   -0.000000    1.232200
O      -2.202200   -0.000000   -2.357400
Sb     -1.487900   -0.000000   -0.477600
C      -2.473000   -1.818700    0.050600
C      -2.303100   -2.358200    1.325500
C      -3.305200   -2.449500   -0.874000
C      -2.967200   -3.531100    1.672100
H      -1.652800   -1.869600    2.037500
C      -3.964400   -3.623100   -0.519800
H      -3.431500   -2.028700   -1.861500
C      -3.796600   -4.163400    0.751100
H      -2.834100   -3.950300    2.661500
H      -4.608400   -4.114000   -1.238600
H      -4.310900   -5.076400    1.023500
C      -2.473000    1.818600    0.050600
C      -2.303200    2.358200    1.325500
C      -3.305100    2.449500   -0.874000
C      -2.967300    3.531000    1.672100
H      -1.652900    1.869500    2.037500
C      -3.964400    3.623100   -0.519800
H      -3.431500    2.028700   -1.861500
C      -3.796700    4.163400    0.751200
H      -2.834200    3.950200    2.661500
H      -4.608300    4.114100   -1.238600
H      -4.311000    5.076400    1.023500
H       1.448600    0.000000    2.960000
H      -1.448600   -0.000000   -2.960000

52
Compound 28
O      -0.227800    0.000000    1.332000
O      -2.511400   -0.000100   -2.358700
Bi     -1.603900   -0.000000   -0.411900
C      -2.523400   -1.955900    0.169200
C      -2.227000   -2.497900    1.412800
C      -3.384900   -2.583600   -0.720900
C      -2.816000   -3.708500    1.772000
H      -1.546500   -1.992100    2.084200
C      -3.964800   -3.794600   -0.348200
H      -3.594300   -2.141400   -1.685000
C      -3.681500   -4.353700    0.894000
H      -2.594700   -4.144900    2.737900
H      -4.636900   -4.298000   -1.031700
H      -4.135100   -5.294800    1.178100
C      -2.523400    1.955800    0.169100
C      -2.227000    2.497900    1.412700
C      -3.384900    2.583500   -0.720900
C      -2.816000    3.708500    1.771900
H      -1.546500    1.992100    2.084100
C      -3.964900    3.794500   -0.348200
H      -3.594400    2.141200   -1.685000
C      -3.681500    4.353700    0.893900
H      -2.594700    4.145000    2.737800
H      -4.637100    4.297900   -1.031700
H      -4.135200    5.294700    1.178000
O       0.227800    0.000000   -1.332000
O       2.511400   -0.000000    2.358700
Bi      1.603900    0.000000    0.411900
C       2.523400   -1.955800   -0.169200
C       2.227100   -2.497900   -1.412800
C       3.384900   -2.583600    0.720900
C       2.816000   -3.708500   -1.772000
H       1.546500   -1.992100   -2.084100
C       3.964900   -3.794500    0.348200
H       3.594300   -2.141300    1.685000
C       3.681600   -4.353700   -0.894000
H       2.594800   -4.144900   -2.737900
H       4.637000   -4.298000    1.031700
H       4.135200   -5.294700   -1.178100
C       2.523400    1.955900   -0.169100
C       2.227000    2.498000   -1.412700
C       3.384900    2.583600    0.720900
C       2.815900    3.708600   -1.771900
H       1.546500    1.992200   -2.084100
C       3.964900    3.794600    0.348200
H       3.594300    2.141300    1.685000
C       3.681500    4.353800   -0.893900
H       2.594600    4.145000   -2.737800
H       4.637000    4.298000    1.031800
H       4.135100    5.294800   -1.178000
H       1.779800    0.000000    2.989300
H      -1.779800   -0.000000   -2.989300

25
Compound 29
O       0.013700    2.135800   -1.306200
O      -0.013700    2.135900    1.306000
C       1.443200    0.240700    0.013400
C       2.065000   -0.141200   -1.178900
C       1.949000   -0.263400    1.215800
C       3.156600   -1.004800   -1.173100
H       1.692600    0.252400   -2.116200
C       3.039200   -1.127900    1.227600
H       1.488300    0.032700    2.149900
C       3.645300   -1.502000    0.031400
H       3.627600   -1.287300   -2.107000
H       3.418700   -1.506800    2.169000
H       4.495000   -2.173600    0.038600
C      -1.443200    0.240700   -0.013400
C      -1.949000   -0.263500   -1.215800
C      -2.065000   -0.141100    1.178900
C      -3.039200   -1.128000   -1.227600
H      -1.488300    0.032600   -2.149900
C      -3.156600   -1.004700    1.173100
H      -1.692600    0.252600    2.116200
C      -3.645300   -1.502000   -0.031400
H      -3.418700   -1.507000   -2.168900
H      -3.627700   -1.287100    2.107000
H      -4.495000   -2.173600   -0.038500
P       0.000000    1.384900   -0.000000

25
Compound 30
O      -0.057800    2.050100    1.434900
O       0.057800    2.050100   -1.434900
As      0.000000    1.196700   -0.000000
C      -1.555400   -0.004300   -0.051400
C      -2.362200   -0.150500    1.075500
C      -1.874500   -0.702200   -1.216800
C      -3.474100   -0.988700    1.041000
H      -2.119700    0.399400    1.976200
C      -2.983300   -1.541900   -1.252100
H      -1.260700   -0.587500   -2.102200
C      -3.784600   -1.686100   -0.122200
H      -4.097500   -1.095900    1.920400
H      -3.224300   -2.081200   -2.160100
H      -4.648500   -2.338600   -0.149900
C       1.555400   -0.004300    0.051400
C       1.874500   -0.702200    1.216800
C       2.362200   -0.150600   -1.075500
C       2.983300   -1.541900    1.252100
H       1.260700   -0.587400    2.102200
C       3.474100   -0.988700   -1.041000
H       2.119700    0.399400   -1.976200
C       3.784600   -1.686100    0.122200
H       3.224300   -2.081100    2.160100
H       4.097500   -1.096000   -1.920400
H       4.648500   -2.338600    0.149900

50
Compound 31
O       0.405000    0.000000    1.196700
O       2.211800   -0.000000   -2.391200
Sb      1.480500   -0.000000   -0.644700
C       2.466700    1.819200    0.047800
C       2.271600    2.366100    1.317000
C       3.348800    2.449400   -0.831800
C       2.947900    3.523300    1.699300
H       1.587000    1.879700    1.998100
C       4.023100    3.607900   -0.452800
H       3.492200    2.017500   -1.814600
C       3.823800    4.146800    0.815200
H       2.789300    3.939200    2.687500
H       4.703700    4.089500   -1.145300
H       4.347800    5.047100    1.112700
C       2.466700   -1.819200    0.047800
C       2.271600   -2.366100    1.317000
C       3.348800   -2.449400   -0.831800
C       2.947800   -3.523300    1.699300
H       1.587000   -1.879700    1.998100
C       4.023100   -3.608000   -0.452800
H       3.492200   -2.017500   -1.814600
C       3.823800   -4.146800    0.815200
H       2.789300   -3.939200    2.687500
H       4.703700   -4.089500   -1.145300
H       4.347700   -5.047100    1.112700
O      -0.405000    0.000000   -1.196700
O      -2.211800    0.000000    2.391200
Sb     -1.480500    0.000000    0.644700
C      -2.466700    1.819200   -0.047800
C      -2.271600    2.366100   -1.317000
C      -3.348800    2.449400    0.831800
C      -2.947800    3.523300   -1.699300
H      -1.587000    1.879700   -1.998100
C      -4.023100    3.608000    0.452800
H      -3.492200    2.017500    1.814600
C      -3.823800    4.146800   -0.815200
H      -2.789300    3.939200   -2.687500
H      -4.703700    4.089500    1.145300
H      -4.347800    5.047100   -1.112700
C      -2.466700   -1.819200   -0.047800
C      -2.271600   -2.366100   -1.317000
C      -3.348800   -2.449400    0.831800
C      -2.947800   -3.523300   -1.699300
H      -1.587000   -1.879700   -1.998100
C      -4.023100   -3.608000    0.452800
H      -3.492200   -2.017500    1.814600
C      -3.823800   -4.146800   -0.815200
H      -2.789300   -3.939200   -2.687500
H      -4.703700   -4.089500    1.145300
H      -4.347800   -5.047100   -1.112700

50
Compound 32
O       0.356400   -0.055500   -1.295800
O       2.470400   -0.008200    2.436000
Bi      1.597800   -0.023100    0.628100
C       2.607100   -1.913000   -0.171300
C       2.303200   -2.458700   -1.415000
C       3.573500   -2.506900    0.635500
C       2.969900   -3.603400   -1.850800
H       1.549500   -1.984800   -2.029800
C       4.237400   -3.652300    0.198000
H       3.796600   -2.070500    1.601900
C       3.935900   -4.200600   -1.045500
H       2.733500   -4.029000   -2.819200
H       4.989100   -4.114900    0.826900
H       4.451700   -5.090100   -1.386000
C       2.498000    1.927600   -0.151900
C       2.220800    2.429400   -1.420100
C       3.368900    2.608300    0.694000
C       2.819500    3.616100   -1.842000
H       1.538200    1.890800   -2.064000
C       3.963200    3.796700    0.271500
H       3.572500    2.203200    1.678100
C       3.689400    4.300200   -0.997100
H       2.604700    4.006900   -2.829800
H       4.639300    4.327800    0.931400
H       4.151800    5.222800   -1.326400
O      -0.356400   -0.055500    1.295800
O      -2.470400   -0.008200   -2.436000
Bi     -1.597800   -0.023100   -0.628100
C      -2.607100   -1.913000    0.171300
C      -2.303200   -2.458700    1.415000
C      -3.573500   -2.506900   -0.635500
C      -2.969900   -3.603400    1.850800
H      -1.549500   -1.984800    2.029800
C      -4.237500   -3.652200   -0.198000
H      -3.796600   -2.070500   -1.601900
C      -3.935900   -4.200500    1.045500
H      -2.733500   -4.029000    2.819200
H      -4.989200   -4.114900   -0.826900
H      -4.451700   -5.090100    1.386000
C      -2.498000    1.927600    0.151900
C      -2.220800    2.429400    1.420100
C      -3.368900    2.608300   -0.694000
C      -2.819400    3.616100    1.842000
H      -1.538200    1.890800    2.064000
C      -3.963200    3.796700   -0.271500
H      -3.572500    2.203200   -1.678100
C      -3.689400    4.300200    0.997100
H      -2.604700    4.006900    2.829800
H      -4.639300    4.327800   -0.931400
H      -4.151800    5.222800    1.326400
