189
Hexamer Z = P, X = Me (7a)
C 5.964700 21.015300 15.669300
H 5.687900 20.315400 14.859700
H 7.027500 20.857100 15.905100
C 5.105200 20.780200 16.884000
C 5.426000 19.867900 17.899800
H 6.352800 19.291500 17.835700
C 4.573100 19.702500 18.996300
H 4.841600 18.996700 19.786600
C 3.386100 20.439000 19.098200
H 2.732700 20.311000 19.964200
C 3.052300 21.355600 18.097600
H 2.144800 21.959400 18.176300
C 3.915000 21.519400 17.010000
C 2.475600 22.065900 14.506500
C 1.702200 20.964900 14.910500
H 1.827800 20.548900 15.910300
C 0.772900 20.385900 14.045000
H 0.179300 19.531400 14.378000
C 0.615700 20.903100 12.758500
H -0.104900 20.457300 12.068400
C 1.386000 21.993800 12.349700
H 1.263200 22.394900 11.340400
C 2.325500 22.595800 13.199900
C 3.136600 23.757500 12.699600
H 2.855900 24.013800 11.669100
H 4.212000 23.525400 12.713500
H 2.997600 24.655000 13.322800
C 3.067800 24.274400 16.383200
C 1.840100 24.783500 15.929700
H 1.265900 24.229500 15.185300
C 1.343400 25.992300 16.419200
H 0.387600 26.375600 16.054800
C 2.078000 26.701500 17.371000
H 1.705500 27.653300 17.757400
C 3.292800 26.192200 17.835500
H 3.858900 26.748700 18.586500
C 3.814300 24.978300 17.364700
C 5.118800 24.468900 17.913400
H 5.552300 25.185800 18.623200
H 5.848900 24.292900 17.105800
H 4.989900 23.508800 18.435800
C 8.543600 20.778500 12.996000
H 7.853000 21.068500 12.195300
H 8.020000 20.126700 13.710300
H 9.400700 20.243500 12.566000
C 9.844900 21.694000 15.421700
H 10.559700 20.890300 15.193400
H 9.074300 21.323900 16.110500
H 10.386600 22.522300 15.890500
C 5.968700 25.591400 10.979700
H 4.918400 25.258300 11.045300
H 6.037700 26.581200 11.464700
C 6.401400 25.654800 9.537700
C 5.852000 26.576000 8.629700
H 5.119700 27.308700 8.981600
C 6.223400 26.548800 7.283700
H 5.788400 27.269600 6.586100
C 7.143500 25.597000 6.821000
H 7.429300 25.575900 5.766600
C 7.711300 24.690300 7.715300
H 8.448200 23.963000 7.370700
C 7.351000 24.734600 9.069200
C 7.894500 21.972500 9.827900
C 9.056800 21.208500 9.621600
H 10.031100 21.677000 9.782000
C 8.984200 19.864600 9.252600
H 9.901700 19.290400 9.103000
C 7.732900 19.266600 9.089400
H 7.656600 18.213500 8.806500
C 6.571600 20.016800 9.294300
H 5.594500 19.541400 9.171300
C 6.621000 21.370600 9.662500
C 5.340800 22.123100 9.904000
H 5.231400 22.971600 9.210500
H 5.326200 22.549500 10.920100
H 4.467200 21.466500 9.786600
C 7.559400 27.278900 15.453700
C 6.913800 27.549300 16.667600
H 6.677800 26.733300 17.352300
C 6.574400 28.860900 17.025200
H 6.070900 29.052700 17.977000
C 6.891900 29.914500 16.166300
H 6.643300 30.944100 16.436900
C 7.532800 29.645900 14.952200
H 7.780400 30.471700 14.278200
C 7.874400 28.337900 14.572700
C 8.563400 28.079800 13.258300
H 9.518700 27.553500 13.404100
H 8.764300 29.015300 12.715500
H 7.956000 27.428000 12.611600
C 12.275000 26.664100 14.120200
H 13.284300 26.310100 14.400200
H 12.356900 27.147700 13.131000
C 11.762600 27.631600 15.156700
C 12.288000 28.927700 15.299600
H 13.060900 29.274300 14.607200
C 11.842900 29.764400 16.325000
H 12.260000 30.770100 16.424200
C 10.871100 29.319200 17.233100
H 10.528000 29.975000 18.036900
C 10.326600 28.043500 17.092000
H 9.549800 27.696300 17.775500
C 10.757500 27.216500 16.045500
C 10.167900 24.602100 17.196000
C 8.975500 24.188100 17.814900
H 8.025100 24.499500 17.378100
C 8.987400 23.372800 18.947200
H 8.045000 23.059600 19.403900
C 10.211900 22.959900 19.477600
H 10.243100 22.315400 20.359800
C 11.403500 23.370500 18.874100
H 12.359400 23.040200 19.289600
C 11.412600 24.190800 17.734700
C 12.719400 24.566300 17.094100
H 12.744700 24.229000 16.045600
H 13.567000 24.115800 17.628800
H 12.862800 25.658100 17.073800
C 10.606700 24.934800 9.251000
C 11.135300 24.175200 8.197200
H 11.283900 23.099800 8.320300
C 11.471400 24.773400 6.975600
H 11.881400 24.163200 6.165600
C 11.272400 26.144200 6.798900
H 11.522700 26.622600 5.848200
C 10.746300 26.905100 7.848100
H 10.587500 27.979000 7.709800
C 10.406600 26.323100 9.079900
C 9.824100 27.162900 10.186500
H 8.844900 26.771900 10.500900
H 9.693000 28.210200 9.875400
H 10.464300 27.145800 11.082600
C 12.410000 20.102800 12.985400
H 11.501800 19.736800 13.492000
H 12.443200 19.636900 11.982700
C 13.632200 19.776900 13.760700
C 13.648000 18.917500 14.877900
H 12.710100 18.456700 15.203100
C 14.831100 18.637700 15.566800
H 14.807600 17.967300 16.431000
C 16.046400 19.200900 15.154100
H 16.972200 18.976400 15.689700
C 16.058000 20.074800 14.062000
H 16.992500 20.550000 13.752900
C 14.869800 20.379800 13.388600
C 16.177100 22.768000 12.384100
C 17.230600 22.785900 11.453800
H 17.207900 22.101900 10.603300
C 18.308500 23.661400 11.599800
H 19.118200 23.655900 10.865500
C 18.344600 24.535600 12.688600
H 19.180200 25.229000 12.813600
C 17.304200 24.521400 13.621700
H 17.334500 25.205000 14.474900
C 16.210800 23.651500 13.495900
C 15.120800 23.668900 14.534200
H 15.262300 24.501300 15.237500
H 15.100500 22.732500 15.115400
H 14.124500 23.762200 14.071100
C 14.948500 20.924700 10.499100
C 15.266300 19.561600 10.399700
H 15.448600 18.987100 11.310400
C 15.349800 18.931000 9.155400
H 15.598500 17.868200 9.098100
C 15.114300 19.667300 7.993000
H 15.174700 19.186800 7.013100
C 14.797400 21.026300 8.084100
H 14.611000 21.600500 7.172200
C 14.703000 21.678000 9.321900
C 14.340800 23.137400 9.379700
H 15.137500 23.735600 9.850400
H 13.431500 23.290500 9.981900
H 14.160400 23.542800 8.375000
O 5.944100 24.940200 14.063800
H 5.227900 25.587000 14.095800
O 7.868400 23.178200 14.113400
O 10.202000 23.019500 13.069600
O 12.159500 24.397700 11.962600
H 12.839300 24.940900 11.544300
P 3.731000 22.731400 15.664900
P 9.117800 22.240900 13.870600
P 8.098500 23.714800 10.387300
P 10.044900 25.584800 15.639400
P 14.698800 21.702100 12.143400
Pd 5.810500 22.900000 14.881800
Pd 6.947000 24.329200 12.225500
Pd 7.905800 25.407200 14.921700
Pd 10.240700 24.065200 10.992200
Pd 11.230300 24.951300 13.830700
Pd 12.441600 22.187500 12.485200
189
Hexamer Z = S, X = Me (7b)
C 5.678200 21.038200 15.788400
H 5.433100 20.312100 14.990900
H 6.736500 20.893300 16.056200
C 4.786500 20.820800 16.984400
C 5.079800 19.897400 18.000700
H 5.995700 19.303100 17.939300
C 4.219800 19.742900 19.092100
H 4.469500 19.027100 19.879600
C 3.049200 20.505800 19.192300
H 2.388700 20.389600 20.054700
C 2.742500 21.432900 18.193700
H 1.849600 22.057800 18.274300
C 3.609000 21.583300 17.104900
C 2.094100 22.277500 14.673700
C 1.248800 21.235000 15.087600
H 1.381200 20.787000 16.072700
C 0.238600 20.753500 14.253100
H -0.408900 19.942900 14.595400
C 0.068800 21.312800 12.986000
H -0.716300 20.945300 12.320500
C 0.910300 22.344800 12.565200
H 0.778000 22.778400 11.570600
C 1.934000 22.845500 13.383800
C 2.821100 23.944500 12.866600
H 2.492000 24.275200 11.871600
H 3.866800 23.608500 12.790400
H 2.818000 24.821200 13.532800
C 2.883800 24.376600 16.583200
C 1.673200 24.969400 16.190400
H 1.045300 24.475200 15.447300
C 1.259900 26.185800 16.736900
H 0.316100 26.633600 16.417200
C 2.061600 26.819500 17.687600
H 1.754600 27.775300 18.119300
C 3.261300 26.228700 18.090800
H 3.881900 26.726000 18.840600
C 3.700100 25.006800 17.559500
C 4.993200 24.410900 18.047100
H 5.514900 25.104500 18.720200
H 5.664600 24.166300 17.206800
H 4.821500 23.471100 18.594400
C 8.585100 20.960400 13.017700
H 7.885500 21.141800 12.199000
H 8.080800 20.398400 13.814000
H 9.477300 20.436600 12.657400
C 9.705300 21.902500 15.283200
H 10.105800 20.896300 15.113700
H 8.867100 21.878900 15.987400
H 10.500200 22.557700 15.645300
C 6.111400 25.480900 10.869500
H 5.028700 25.256200 10.891600
H 6.250500 26.478700 11.323800
C 6.616500 25.452100 9.451100
C 6.096100 26.298500 8.456000
H 5.334600 27.037500 8.723300
C 6.528200 26.187500 7.133300
H 6.114600 26.850300 6.368400
C 7.477500 25.217500 6.780400
H 7.806600 25.120900 5.742900
C 8.013800 24.385500 7.761800
H 8.762700 23.638100 7.498100
C 7.600900 24.520100 9.094800
C 8.062900 21.814900 9.876000
C 9.221900 21.053500 9.644200
H 10.195300 21.507900 9.846100
C 9.150000 19.736200 9.188900
H 10.067200 19.166800 9.018500
C 7.899200 19.158400 8.961800
H 7.821600 18.126200 8.610500
C 6.740500 19.905500 9.187700
H 5.762800 19.448700 9.010700
C 6.790400 21.234400 9.639700
C 5.505600 21.981400 9.871800
H 5.414800 22.845800 9.195300
H 5.462200 22.388100 10.896900
H 4.635700 21.328200 9.713600
C 7.454200 27.178600 15.398500
C 6.791000 27.420400 16.611500
H 6.528400 26.584700 17.262300
C 6.470600 28.723000 17.014100
H 5.956600 28.888400 17.965300
C 6.821600 29.802600 16.201000
H 6.590700 30.826300 16.507700
C 7.473900 29.565700 14.987100
H 7.747800 30.410700 14.347900
C 7.794200 28.265600 14.563200
C 8.473600 28.048100 13.238100
H 9.268800 27.294500 13.311600
H 8.907100 28.979700 12.845100
H 7.760300 27.664800 12.490700
C 12.134000 26.661800 13.948900
H 13.200300 26.437100 14.141700
H 12.068800 27.123300 12.947200
C 11.603400 27.589000 15.009900
C 12.098300 28.893800 15.183100
H 12.863100 29.274400 14.499400
C 11.633800 29.694900 16.227700
H 12.026800 30.707600 16.352200
C 10.675000 29.201600 17.124800
H 10.317800 29.826400 17.947000
C 10.163200 27.916600 16.952100
H 9.401800 27.531700 17.632000
C 10.612400 27.125300 15.885600
C 10.114400 24.576800 17.090300
C 8.935600 24.191000 17.751600
H 7.974900 24.425700 17.288200
C 8.970500 23.502700 18.965100
H 8.036800 23.212900 19.453900
C 10.205500 23.186700 19.535600
H 10.255200 22.643000 20.482600
C 11.384100 23.566800 18.888500
H 12.349500 23.315700 19.336700
C 11.369400 24.263900 17.669400
C 12.669200 24.631200 17.009300
H 12.706100 24.248900 15.976600
H 13.524500 24.226200 17.568100
H 12.790300 25.723800 16.936800
C 10.739300 24.821600 9.368600
C 11.315100 24.145100 8.282200
H 11.529800 23.075800 8.358800
C 11.608700 24.810400 7.085100
H 12.052700 24.260600 6.249900
C 11.318500 26.171100 6.962800
H 11.530300 26.701800 6.030600
C 10.747800 26.852400 8.042900
H 10.515900 27.917700 7.947000
C 10.453700 26.199700 9.250900
C 9.838700 26.960700 10.394800
H 9.000300 26.405300 10.836700
H 9.475000 27.949500 10.077900
H 10.565600 27.110600 11.209100
C 12.695500 20.270200 13.259000
H 11.948300 20.247800 14.066000
H 12.309300 19.641700 12.434300
C 14.018300 19.731200 13.739500
C 14.130700 18.705700 14.692400
H 13.224800 18.278500 15.131500
C 15.386400 18.235100 15.088300
H 15.454500 17.443000 15.838800
C 16.556800 18.774900 14.539600
H 17.534900 18.408700 14.860600
C 16.466300 19.798200 13.593100
H 17.370200 20.244100 13.170800
C 15.206100 20.267900 13.206500
C 16.257200 22.845500 12.349500
C 17.335500 22.903000 11.451700
H 17.351800 22.240900 10.584300
C 18.388100 23.798400 11.648600
H 19.217600 23.829200 10.938200
C 18.367500 24.648600 12.755500
H 19.181200 25.359400 12.920700
C 17.304100 24.587300 13.658600
H 17.296400 25.248000 14.529500
C 16.236100 23.692900 13.485800
C 15.131700 23.658400 14.507200
H 15.320000 24.388600 15.306100
H 15.035800 22.663000 14.969400
H 14.154600 23.887100 14.053600
C 15.154500 20.997600 10.362600
C 15.498400 19.649000 10.181700
H 15.679100 19.014900 11.050900
C 15.609700 19.103700 8.900500
H 15.878900 18.051800 8.778600
C 15.373000 19.909700 7.786200
H 15.454100 19.495500 6.778100
C 15.028800 21.252900 7.960600
H 14.842100 21.881900 7.086200
C 14.908700 21.823200 9.235900
C 14.522200 23.269800 9.374800
H 15.291300 23.848800 9.909300
H 13.587200 23.372100 9.944500
H 14.369400 23.734300 8.392100
O 5.747200 24.909400 13.977800
H 5.080800 25.607900 13.949800
O 7.470700 23.049100 14.186600
O 10.796300 22.664900 12.952100
O 12.457400 24.256300 11.911300
H 13.084500 24.841200 11.467100
P 3.450400 22.829200 15.782700
P 8.274200 23.544800 10.500600
P 9.953600 25.463700 15.472100
P 14.894700 21.650200 12.058400
Pd 5.522400 22.889300 14.932700
Pd 6.890700 24.182000 12.209600
Pd 7.748800 25.293700 14.863200
Pd 10.491400 23.818300 11.060000
Pd 11.314100 24.818900 13.745700
Pd 12.754200 22.175900 12.524100
S 9.095900 22.567100 13.699900
183
Hexamer Z = P, X = O (7c)
C 6.487000 21.553900 15.893700
H 6.424200 20.739100 15.152000
H 7.538700 21.656700 16.201700
C 5.570200 21.295400 17.055700
C 5.957800 20.573100 18.195200
H 6.978300 20.187600 18.265100
C 5.051700 20.359500 19.238800
H 5.370800 19.804300 20.124800
C 3.744700 20.859500 19.166700
H 3.047700 20.697000 19.992200
C 3.344800 21.589700 18.044700
H 2.340400 22.017300 17.990200
C 4.259500 21.804600 17.008600
C 2.949900 21.890000 14.373900
C 2.293800 20.738400 14.837700
H 2.379600 20.449600 15.885500
C 1.536900 19.945700 13.973100
H 1.033800 19.053800 14.353900
C 1.436000 20.298900 12.626900
H 0.851000 19.685200 11.937400
C 2.090000 21.440500 12.158300
H 2.013000 21.712300 11.102400
C 2.855600 22.253800 13.007200
C 3.561700 23.453900 12.440900
H 3.295100 23.601900 11.385300
H 4.653200 23.327800 12.505000
H 3.316000 24.377400 12.987300
C 3.040600 24.311100 16.059300
C 1.812600 24.604500 15.445300
H 1.402100 23.919300 14.701800
C 1.107200 25.763300 15.774500
H 0.153300 25.977300 15.286700
C 1.632000 26.640400 16.725400
H 1.094800 27.555300 16.987200
C 2.847300 26.346500 17.348400
H 3.251700 27.033700 18.096000
C 3.574300 25.186800 17.041200
C 4.863500 24.906000 17.763200
H 5.140700 25.749500 18.408600
H 5.687800 24.718500 17.055000
H 4.783500 24.008300 18.394700
C 6.346300 25.298800 10.718500
H 5.307400 24.970500 10.887600
H 6.402200 26.379400 10.928000
C 6.761700 24.976000 9.311000
C 6.283600 25.684900 8.198700
H 5.619500 26.540500 8.348300
C 6.640000 25.292500 6.906000
H 6.262000 25.853700 6.047600
C 7.471500 24.182400 6.698900
H 7.743100 23.882500 5.684300
C 7.969700 23.476300 7.792200
H 8.642700 22.628500 7.649500
C 7.627700 23.891100 9.087300
C 8.553500 21.459200 10.448900
C 9.837100 20.955700 10.194100
H 10.686300 21.638800 10.140800
C 10.036800 19.583300 10.042000
H 11.040200 19.198600 9.848300
C 8.947500 18.716200 10.154100
H 9.091300 17.638300 10.043700
C 7.670600 19.220900 10.420800
H 6.828100 18.532200 10.527500
C 7.445300 20.594300 10.581200
C 6.086900 21.116000 10.962400
H 5.751700 21.927500 10.297400
H 6.121300 21.524000 11.986300
H 5.330100 20.319500 10.937500
C 7.563400 27.589000 15.476300
C 6.876500 27.820500 16.677500
H 6.610000 26.979000 17.317900
C 6.542700 29.117600 17.088200
H 6.010400 29.270800 18.031600
C 6.908200 30.207900 16.296500
H 6.668700 31.227500 16.610500
C 7.589800 29.986400 15.095300
H 7.878500 30.839700 14.473500
C 7.921100 28.691200 14.666400
C 8.635100 28.489100 13.355500
H 9.456000 27.763700 13.451800
H 9.044200 29.432900 12.964200
H 7.947500 28.080600 12.597100
C 12.199300 27.064700 14.318800
H 13.228100 26.768300 14.601300
H 12.262100 27.559500 13.332400
C 11.639300 27.999300 15.361100
C 12.085700 29.324100 15.512000
H 12.830900 29.723600 14.817400
C 11.601000 30.122500 16.550100
H 11.957300 31.150800 16.655900
C 10.669200 29.609100 17.464300
H 10.296600 30.234500 18.279300
C 10.200100 28.305000 17.314100
H 9.453000 27.903700 18.001200
C 10.666000 27.518100 16.251800
C 10.072100 24.899000 17.362500
C 8.857500 24.489300 17.932600
H 7.926600 24.737900 17.420200
C 8.826400 23.753800 19.117600
H 7.868600 23.438300 19.539200
C 10.029000 23.412200 19.740500
H 10.026000 22.830400 20.666100
C 11.243300 23.807300 19.172200
H 12.182200 23.526200 19.657600
C 11.294700 24.550100 17.982600
C 12.624600 24.923300 17.386000
H 12.704600 24.549600 16.351600
H 13.453600 24.506900 17.976000
H 12.755300 26.016000 17.333400
C 10.492400 25.007300 9.579300
C 11.190000 24.253000 8.628600
H 11.540700 23.248400 8.871500
C 11.434200 24.769100 7.350700
H 11.969800 24.164100 6.615600
C 10.974200 26.046400 7.022500
H 11.142100 26.454100 6.022300
C 10.295000 26.804000 7.980000
H 9.942300 27.808300 7.726000
C 10.046900 26.305600 9.270700
C 9.354800 27.163200 10.296000
H 8.802100 26.548600 11.017900
H 8.661200 27.879100 9.830200
H 10.091700 27.743500 10.876900
C 11.936400 20.675100 13.396100
H 11.862700 20.827100 14.486900
H 10.921800 20.434900 13.040200
C 12.934000 19.600100 13.072300
C 12.749200 18.260900 13.461800
H 11.837000 17.979200 13.994800
C 13.724400 17.303200 13.182400
H 13.569800 16.267100 13.495000
C 14.905700 17.657800 12.512100
H 15.667900 16.902500 12.306200
C 15.100700 18.977500 12.108700
H 16.012600 19.267100 11.581100
C 14.108100 19.930800 12.379700
C 15.811800 22.289500 12.401900
C 16.888200 22.135300 11.512300
H 16.716600 21.697600 10.527000
C 18.174400 22.544600 11.864600
H 18.999900 22.418000 11.160200
C 18.390100 23.118500 13.119100
H 19.390000 23.451000 13.408800
C 17.324800 23.265400 14.009400
H 17.501900 23.709400 14.992500
C 16.022000 22.854200 13.683700
C 14.923600 23.026400 14.700900
H 15.323400 23.451300 15.632100
H 14.436500 22.070000 14.946100
H 14.128600 23.695300 14.333500
C 14.150100 21.719500 10.053000
C 13.764200 20.558900 9.358800
H 13.548000 19.644600 9.912500
C 13.650500 20.560900 7.968900
H 13.343800 19.651600 7.446800
C 13.936400 21.728500 7.256400
H 13.859000 21.742700 6.166500
C 14.309400 22.884200 7.942400
H 14.513200 23.801800 7.385200
C 14.406100 22.915200 9.342200
C 14.776100 24.214600 10.009200
H 15.864100 24.387400 9.967300
H 14.492200 24.242900 11.068300
H 14.286700 25.056400 9.496200
O 6.124600 25.236600 13.809300
H 5.395300 25.855700 13.674900
O 8.075400 23.650700 14.181000
O 10.417500 23.343900 13.387100
O 12.189300 24.706900 12.146100
H 12.782400 25.241400 11.603600
P 4.001100 22.845100 15.536800
P 9.262800 22.498000 14.219900
P 8.355000 23.252600 10.609500
P 10.016700 25.870100 15.808300
P 14.159900 21.681200 11.887300
Pd 6.088400 23.265700 14.861100
Pd 7.337200 24.380400 12.250300
Pd 7.953100 25.724900 14.914600
Pd 10.227300 24.215000 11.391500
Pd 11.262800 25.285500 14.040500
Pd 12.282400 22.553100 12.710100
O 8.787000 21.339900 13.372200
O 9.745000 22.299000 15.636300
185
Hexamer Z = P, X = OH (7d)
C 5.998700 21.315800 15.813900
H 5.795700 20.551400 15.042200
H 7.065100 21.257400 16.080400
C 5.118900 21.104600 17.016800
C 5.460200 20.267100 18.089000
H 6.417300 19.738900 18.077700
C 4.588000 20.116900 19.172500
H 4.871400 19.470100 20.006900
C 3.362500 20.794300 19.205100
H 2.693500 20.678900 20.061000
C 3.008600 21.637100 18.148100
H 2.069700 22.195700 18.172200
C 3.890000 21.786800 17.073000
C 2.507900 22.139800 14.493500
C 1.794100 21.004200 14.909700
H 1.913200 20.629700 15.926900
C 0.934300 20.338300 14.034700
H 0.386600 19.457100 14.376500
C 0.787900 20.804000 12.727400
H 0.122000 20.290100 12.029800
C 1.498600 21.930500 12.307200
H 1.383300 22.291100 11.281800
C 2.367900 22.619200 13.166100
C 3.117200 23.817700 12.654200
H 2.853700 24.024400 11.608100
H 4.204600 23.658100 12.705700
H 2.900300 24.722100 13.244400
C 2.910000 24.453200 16.285000
C 1.649500 24.844500 15.805600
H 1.120000 24.210200 15.092700
C 1.063000 26.037400 16.230900
H 0.082000 26.328300 15.848400
C 1.740100 26.849400 17.142500
H 1.295900 27.789600 17.478200
C 2.988300 26.457900 17.632200
H 3.511000 27.093900 18.351100
C 3.598500 25.262100 17.226500
C 4.936700 24.880500 17.795800
H 5.288400 25.636800 18.509700
H 5.689000 24.780200 16.996300
H 4.895800 23.912000 18.316500
C 6.042400 25.513600 10.776600
H 4.978400 25.243400 10.895300
H 6.158500 26.564000 11.098200
C 6.468300 25.329700 9.340400
C 5.915500 26.082300 8.290500
H 5.175200 26.856400 8.513200
C 6.294900 25.837400 6.968900
H 5.856100 26.428700 6.160800
C 7.228100 24.833800 6.671100
H 7.519400 24.643900 5.635300
C 7.799200 24.091200 7.703800
H 8.546200 23.325400 7.487800
C 7.426500 24.352700 9.029300
C 8.044000 21.763600 10.294600
C 9.235900 21.009800 10.270500
H 10.196800 21.529800 10.319700
C 9.208600 19.613200 10.210000
H 10.145600 19.052300 10.208700
C 7.978300 18.955200 10.162200
H 7.937900 17.864100 10.120200
C 6.792500 19.694800 10.177100
H 5.832800 19.171900 10.147900
C 6.791800 21.096600 10.246100
C 5.485400 21.838100 10.305500
H 5.376700 22.539700 9.463800
H 5.429100 22.444500 11.224400
H 4.634700 21.142900 10.291800
C 7.631500 27.459100 15.430000
C 6.979900 27.805000 16.620500
H 6.655500 27.025900 17.311800
C 6.746800 29.147600 16.946000
H 6.235800 29.400200 17.879500
C 7.180600 30.153200 16.080800
H 7.017000 31.205400 16.328000
C 7.829400 29.807800 14.890600
H 8.167500 30.596300 14.211300
C 8.063400 28.468100 14.540100
C 8.759200 28.128400 13.246800
H 9.666700 27.530300 13.423600
H 9.044100 29.034600 12.692100
H 8.115800 27.513900 12.597500
C 12.258200 26.731000 14.408700
H 13.261200 26.342700 14.667000
H 12.355700 27.300000 13.467700
C 11.743400 27.607200 15.524100
C 12.282900 28.877400 15.791900
H 13.072500 29.273100 15.146400
C 11.829700 29.625700 16.880000
H 12.258600 30.612100 17.075500
C 10.835000 29.117400 17.728200
H 10.487300 29.705100 18.581200
C 10.274600 27.868500 17.464500
H 9.480100 27.473000 18.100200
C 10.716100 27.132000 16.356800
C 9.977300 24.405900 17.192900
C 8.743800 24.029900 17.764300
H 7.827300 24.466100 17.363900
C 8.675500 23.100600 18.803400
H 7.705800 22.816500 19.218200
C 9.856200 22.536600 19.291300
H 9.823200 21.800800 20.098600
C 11.085900 22.907400 18.740900
H 12.005100 22.457300 19.124600
C 11.180200 23.838400 17.694200
C 12.524200 24.180500 17.116300
H 12.559000 23.929500 16.043400
H 13.325300 23.633400 17.631900
H 12.733100 25.259100 17.191500
C 10.632800 24.817900 9.290400
C 11.217800 23.975600 8.334900
H 11.436400 22.934500 8.584000
C 11.527500 24.452900 7.055200
H 11.982700 23.782200 6.321100
C 11.244500 25.780000 6.724800
H 11.472200 26.162600 5.726300
C 10.662900 26.621000 7.679300
H 10.440200 27.660500 7.419500
C 10.347100 26.162200 8.968700
C 9.716700 27.087100 9.978200
H 8.811700 26.639300 10.414600
H 9.444100 28.053400 9.527900
H 10.401200 27.282800 10.819800
C 12.359900 20.198200 12.576400
H 11.460500 19.833400 13.099400
H 12.296500 19.866600 11.522500
C 13.608000 19.690600 13.205300
C 13.637800 18.636400 14.140000
H 12.694800 18.165500 14.433800
C 14.839800 18.180600 14.687300
H 14.827400 17.360600 15.411200
C 16.058900 18.760600 14.311200
H 16.999000 18.400400 14.736500
C 16.058000 19.824300 13.403800
H 16.998300 20.309900 13.130800
C 14.852300 20.299100 12.873600
C 16.195700 22.806700 12.330800
C 17.279000 22.928700 11.444000
H 17.260500 22.387000 10.496200
C 18.381000 23.727700 11.755400
H 19.214000 23.805800 11.051900
C 18.410600 24.418100 12.969200
H 19.265100 25.049600 13.225300
C 17.340300 24.298200 13.859900
H 17.366500 24.837700 14.810800
C 16.222000 23.502400 13.568800
C 15.098700 23.401500 14.566800
H 15.264500 24.082000 15.414000
H 15.000700 22.378400 14.965100
H 14.126700 23.642100 14.104800
C 14.931700 21.375100 10.131800
C 15.147500 20.035800 9.771200
H 15.272300 19.284200 10.553500
C 15.201300 19.651400 8.428800
H 15.370100 18.603400 8.168500
C 15.039100 20.612700 7.429300
H 15.077100 20.325700 6.375300
C 14.823400 21.948900 7.780400
H 14.692900 22.700200 6.996900
C 14.760200 22.356500 9.120400
C 14.508900 23.801500 9.455700
H 15.370800 24.253500 9.972200
H 13.643900 23.896700 10.129400
H 14.303800 24.389500 8.551200
O 5.931700 25.149600 13.975200
H 5.220900 25.803000 13.967200
O 7.827600 23.326900 14.117000
O 10.215500 23.107400 13.263500
O 12.168000 24.566500 12.112200
H 12.824100 25.142800 11.701100
P 3.683500 22.919800 15.662500
P 9.076400 22.401800 14.004400
P 8.180700 23.590100 10.501400
P 9.965800 25.581100 15.765500
P 14.698900 21.832900 11.893000
Pd 5.767800 23.129400 14.904000
Pd 6.968200 24.407800 12.201400
Pd 7.859800 25.559900 14.934100
Pd 10.286600 24.105100 11.103100
Pd 11.215900 25.045800 13.980800
Pd 12.469600 22.310000 12.360200
O 8.686600 21.010100 13.332900
H 8.825200 20.985700 12.362900
O 9.499200 21.883100 15.455200
H 9.609700 22.603500 16.110200
