134
Complex 7 (G (BS1) = -2666.846485) 
Au       2.610572000      0.006303000     -0.061875000
C        4.656512000      0.039694000      0.021644000
N        5.476138000      1.119179000     -0.122854000
N        5.516186000     -0.992953000      0.249307000
C        0.622311000     -0.003986000     -0.115084000
C        4.991764000      2.452224000     -0.345083000
C        4.465803000      3.161886000      0.744133000
C        4.413342000      2.594512000      2.148734000
H        4.734166000      1.546650000      2.109520000
C        2.993748000      2.612055000      2.708091000
H        2.608752000      3.634009000      2.798745000
H        2.970102000      2.164922000      3.707628000
H        2.303554000      2.049167000      2.069800000
C        5.377542000      3.340943000      3.069161000
H        6.408577000      3.300422000      2.700646000
H        5.363661000      2.909216000      4.075904000
H        5.101905000      4.398238000      3.159515000
C        3.991256000      4.452878000      0.496374000
H        3.576132000      5.030016000      1.319791000
C        4.037766000      5.000564000     -0.778159000
H        3.659997000      6.004962000     -0.949850000
C        4.558373000      4.267428000     -1.839538000
H        4.577511000      4.703835000     -2.834611000
C        5.043836000      2.973137000     -1.649230000
C        5.529029000      2.132208000     -2.814175000
H        6.269067000      1.417094000     -2.430687000
C        4.368510000      1.319987000     -3.395019000
H        3.863414000      0.716185000     -2.631663000
H        4.722233000      0.648112000     -4.185998000
H        3.612899000      1.983593000     -3.830494000
C        6.208739000      2.948609000     -3.906394000
H        5.500406000      3.600442000     -4.428948000
H        6.642113000      2.284274000     -4.660441000
H        7.012889000      3.578356000     -3.511998000
C        6.809240000      0.769084000      0.015954000
H        7.600637000      1.498442000     -0.060193000
C        6.834965000     -0.568240000      0.241901000
H        7.654679000     -1.252491000      0.397115000
C        5.098996000     -2.357194000      0.413167000
C        4.735579000     -3.087093000     -0.726962000
C        4.352109000     -4.418335000     -0.538101000
H        4.066455000     -5.012993000     -1.402716000
C        4.328027000     -4.983929000      0.728690000
H        4.025308000     -6.020265000      0.853522000
C        4.681262000     -4.228642000      1.842236000
H        4.645111000     -4.680490000      2.829816000
C        5.073471000     -2.895749000      1.711510000
C        5.384116000     -2.038341000      2.922899000
H        6.118835000     -1.280213000      2.620038000
C        4.124695000     -1.297264000      3.378870000
H        3.675348000     -0.709454000      2.569610000
H        4.352814000     -0.619691000      4.209749000
H        3.362612000     -2.005904000      3.722247000
C        5.990755000     -2.822747000      4.079491000
H        5.268697000     -3.514083000      4.527085000
H        6.307451000     -2.139773000      4.873744000
H        6.864099000     -3.406211000      3.770552000
C        4.752846000     -2.499217000     -2.123784000
H        4.999261000     -1.433715000     -2.048698000
C        5.829493000     -3.160100000     -2.981869000
H        6.824197000     -3.059972000     -2.533560000
H        5.862838000     -2.704036000     -3.977385000
H        5.633782000     -4.230473000     -3.115967000
C        3.379533000     -2.598315000     -2.782010000
H        3.072477000     -3.641690000     -2.917429000
H        3.392262000     -2.129673000     -3.771792000
H        2.612364000     -2.097400000     -2.180739000
C       -0.622326000      0.003802000     -0.115111000
Au      -2.610589000     -0.006413000     -0.061853000
C       -4.656525000     -0.039681000      0.021656000
N       -5.476206000     -1.119121000     -0.122897000
N       -5.516154000      0.993022000      0.249218000
C       -4.991860000     -2.452174000     -0.345154000
C       -5.043898000     -2.973047000     -1.649320000
C       -5.529052000     -2.132095000     -2.814265000
H       -6.269089000     -1.416974000     -2.430797000
C       -4.368496000     -1.319889000     -3.395058000
H       -3.612890000     -1.983503000     -3.830529000
H       -4.722179000     -0.647984000     -4.186030000
H       -3.863414000     -0.716119000     -2.631667000
C       -6.208737000     -2.948483000     -3.906509000
H       -7.012940000     -3.578181000     -3.512144000
H       -6.642040000     -2.284140000     -4.660590000
H       -5.500406000     -3.600359000     -4.429010000
C       -4.558403000     -4.267321000     -1.839661000
H       -4.577511000     -4.703689000     -2.834753000
C       -4.037796000     -5.000479000     -0.778300000
H       -3.659996000     -6.004861000     -0.950018000
C       -3.991319000     -4.452835000      0.496252000
H       -3.576193000     -5.029992000      1.319653000
C       -4.465901000     -3.161862000      0.744046000
C       -4.413482000     -2.594546000      2.148675000
H       -4.734246000     -1.546663000      2.109487000
C       -2.993929000     -2.612192000      2.708114000
H       -2.303670000     -2.049309000      2.069886000
H       -2.970322000     -2.165115000      3.707677000
H       -2.608978000     -3.634165000      2.798747000
C       -5.377796000     -3.340975000      3.068990000
H       -5.102237000     -4.398295000      3.159282000
H       -5.363958000     -2.909320000      4.075764000
H       -6.408799000     -3.300354000      2.700399000
C       -6.809294000     -0.768938000      0.015762000
H       -7.600733000     -1.498248000     -0.060439000
C       -6.834963000      0.568382000      0.241730000
H       -7.654641000      1.252688000      0.396893000
C       -5.098904000      2.357234000      0.413146000
C       -5.073442000      2.895717000      1.711514000
C       -4.681197000      4.228590000      1.842343000
H       -4.645086000      4.680382000      2.829949000
C       -4.327869000      4.983927000      0.728860000
H       -4.025120000      6.020245000      0.853767000
C       -4.351888000      4.418404000     -0.537965000
H       -4.066149000      5.013099000     -1.402527000
C       -4.735394000      3.087188000     -0.726924000
C       -4.752558000      2.499375000     -2.123773000
H       -4.998975000      1.433869000     -2.048756000
C       -3.379195000      2.598518000     -2.781886000
H       -2.612066000      2.097588000     -2.180576000
H       -3.391842000      2.129921000     -3.771689000
H       -3.072141000      3.641905000     -2.917228000
C       -5.829136000      3.160306000     -2.981908000
H       -5.633415000      4.230688000     -3.115920000
H       -5.862395000      2.704305000     -3.977455000
H       -6.823877000      3.060149000     -2.533688000
C       -5.384201000      2.038251000      2.922831000
H       -6.118852000      1.280106000      2.619838000
C       -5.991014000      2.822587000      4.079380000
H       -6.864320000      3.406060000      3.770347000
H       -6.307818000      2.139563000      4.873547000
H       -5.269030000      3.513907000      4.527120000
C       -4.124798000      1.297214000      3.378906000
H       -3.362753000      2.005874000      3.722323000
H       -4.352957000      0.619640000      4.209775000
H       -3.675384000      0.709403000      2.569683000
16
DMAD (G (BS1) = -532.955566)
C       -0.604780000      0.149148000     -0.050790000
C        0.604783000      0.148787000      0.050871000
C       -2.025699000      0.231643000     -0.269873000
C        2.025627000      0.230272000      0.270807000
O       -2.530905000      0.984048000     -1.076636000
O        2.530493000      0.978058000      1.082061000
O       -2.687856000     -0.617499000      0.526926000
O        2.688119000     -0.614498000     -0.530345000
C       -4.116119000     -0.578860000      0.372131000
H       -4.505644000     -1.314911000      1.072896000
H       -4.501038000      0.415515000      0.609836000
H       -4.400361000     -0.836855000     -0.650479000
C        4.116304000     -0.576716000     -0.374648000
H        4.400046000     -0.840339000      0.646666000
H        4.506175000     -1.308888000     -1.079276000
H        4.501319000      0.418964000     -0.606680000
150
7·DMAD (G (BS1) = -3199.798961)
Au      -2.595238000      0.257239000     -0.442694000
C       -4.635072000      0.146990000     -0.286385000
N       -5.495666000      1.200247000     -0.391921000
N       -5.452796000     -0.913737000     -0.038969000
C       -0.617453000      0.406214000     -0.587858000
C       -5.056424000      2.552849000     -0.583297000
C       -5.152173000      3.115087000     -1.863403000
C       -5.639406000      2.328648000     -3.063802000
H       -5.983584000      1.346758000     -2.717899000
C       -4.491483000      2.086887000     -4.043393000
H       -4.113370000      3.030815000     -4.452500000
H       -4.824808000      1.470495000     -4.885282000
H       -3.651382000      1.577017000     -3.560890000
C       -6.815755000      3.016116000     -3.750769000
H       -7.655706000      3.168589000     -3.064392000
H       -7.175832000      2.417476000     -4.593772000
H       -6.532472000      3.997866000     -4.146618000
C       -4.719123000      4.434239000     -2.019399000
H       -4.773575000      4.896467000     -3.002917000
C       -4.203852000      5.148951000     -0.946297000
H       -3.868666000      6.172976000     -1.088300000
C       -4.096202000      4.553353000      0.305711000
H       -3.672883000      5.116744000      1.133627000
C       -4.510914000      3.237602000      0.517296000
C       -4.383878000      2.598279000      1.886667000
H       -4.481244000      1.514003000      1.762549000
C       -3.015626000      2.835657000      2.516991000
H       -2.208983000      2.474450000      1.869747000
H       -2.950140000      2.298544000      3.469324000
H       -2.835339000      3.895588000      2.730822000
C       -5.507777000      3.058633000      2.814041000
H       -5.450016000      4.136976000      3.004472000
H       -5.444696000      2.546203000      3.781332000
H       -6.497834000      2.851887000      2.393010000
C       -6.810322000      0.806603000     -0.216404000
H       -7.628852000      1.507803000     -0.273040000
C       -6.783982000     -0.531231000      0.007826000
H       -7.573369000     -1.242532000      0.194337000
C       -4.977445000     -2.227950000      0.292038000
C       -4.676126000     -2.495232000      1.637036000
C       -4.211861000     -3.775764000      1.945217000
H       -3.956803000     -4.014951000      2.975110000
C       -4.067658000     -4.740218000      0.955481000
H       -3.701409000     -5.730035000      1.215330000
C       -4.376478000     -4.443069000     -0.365774000
H       -4.239475000     -5.200584000     -1.133271000
C       -4.836005000     -3.176404000     -0.730825000
C       -5.111142000     -2.834977000     -2.181219000
H       -5.716648000     -1.919615000     -2.203625000
C       -3.804351000     -2.537569000     -2.918822000
H       -3.241706000     -1.727526000     -2.439557000
H       -4.005915000     -2.247430000     -3.956280000
H       -3.153735000     -3.419638000     -2.934769000
C       -5.901773000     -3.925345000     -2.897316000
H       -5.325083000     -4.852342000     -2.988667000
H       -6.156923000     -3.607267000     -3.913288000
H       -6.834349000     -4.166299000     -2.376412000
C       -4.817561000     -1.447962000      2.724545000
H       -5.371815000     -0.595333000      2.311587000
C       -5.614634000     -1.964811000      3.918556000
H       -6.600156000     -2.337841000      3.620205000
H       -5.766611000     -1.165673000      4.651926000
H       -5.094238000     -2.779921000      4.433193000
C       -3.448098000     -0.929473000      3.161477000
H       -2.847642000     -1.734583000      3.603571000
H       -3.556564000     -0.141867000      3.917305000
H       -2.884442000     -0.517495000      2.315353000
C        0.626886000      0.432182000     -0.597572000
Au       2.605054000      0.311603000     -0.428940000
C        4.633642000      0.188422000     -0.173429000
N        5.456846000     -0.891460000     -0.287386000
N        5.472812000      1.194547000      0.207339000
C        5.021025000     -2.200103000     -0.683171000
C        4.805282000     -3.161506000      0.318751000
C        4.919619000     -2.811190000      1.789377000
H        5.609347000     -1.962281000      1.882284000
C        3.559120000     -2.359603000      2.326358000
H        2.837212000     -3.183306000      2.286502000
H        3.639140000     -2.038220000      3.371617000
H        3.140960000     -1.530958000      1.740728000
C        5.481236000     -3.948050000      2.635253000
H        6.432707000     -4.323133000      2.244301000
H        5.651132000     -3.606418000      3.661007000
H        4.788414000     -4.794189000      2.695732000
C        4.407538000     -4.434673000     -0.093572000
H        4.223054000     -5.202796000      0.652535000
C        4.235775000     -4.730603000     -1.441272000
H        3.926727000     -5.729003000     -1.740053000
C        4.447759000     -3.754016000     -2.406074000
H        4.301191000     -3.990476000     -3.458521000
C        4.838670000     -2.460042000     -2.048648000
C        5.033799000     -1.404187000     -3.117638000
H        5.352946000     -0.474580000     -2.631183000
C        3.718268000     -1.110429000     -3.836593000
H        2.947122000     -0.765910000     -3.136397000
H        3.855771000     -0.331978000     -4.594587000
H        3.337047000     -2.002165000     -4.349515000
C        6.126721000     -1.806748000     -4.104329000
H        5.858494000     -2.716616000     -4.653549000
H        6.289811000     -1.015277000     -4.843488000
H        7.080062000     -1.995244000     -3.598788000
C        6.770627000     -0.566397000      0.009800000
H        7.561977000     -1.298699000     -0.033314000
C        6.778901000      0.751394000      0.330739000
H        7.578947000      1.409453000      0.632775000
C        5.025468000      2.523558000      0.517010000
C        5.232717000      3.537310000     -0.433861000
C        4.789201000      4.819390000     -0.107100000
H        4.927225000      5.629152000     -0.818249000
C        4.163131000      5.072001000      1.109003000
H        3.822536000      6.077464000      1.341762000
C        3.966150000      4.046063000      2.023059000
H        3.470880000      4.251101000      2.969604000
C        4.391210000      2.743097000      1.748101000
C        4.177196000      1.645818000      2.771025000
H        4.492542000      0.693369000      2.329637000
C        2.703216000      1.504697000      3.141372000
H        2.077398000      1.332470000      2.257838000
H        2.565211000      0.660419000      3.826735000
H        2.332319000      2.404877000      3.646560000
C        5.035003000      1.882136000      4.012575000
H        4.758210000      2.815248000      4.517571000
H        4.904404000      1.066523000      4.732266000
H        6.100828000      1.944510000      3.766645000
C        5.841947000      3.230835000     -1.788374000
H        6.548501000      2.399742000     -1.660339000
C        6.620136000      4.400004000     -2.379368000
H        7.370132000      4.790802000     -1.684116000
H        7.138517000      4.086290000     -3.290691000
H        5.961832000      5.229314000     -2.659835000
C        4.756917000      2.759497000     -2.759383000
H        4.036925000      3.562010000     -2.955176000
H        5.196265000      2.460204000     -3.718103000
H        4.191046000      1.909200000     -2.361243000
C       -0.007610000     -1.659940000      2.352712000
C       -0.006880000     -2.247040000      1.290892000
C        0.048096000     -0.973073000      3.610086000
C       -0.165824000     -2.805552000     -0.025767000
O        0.431703000     -1.472510000      4.651027000
O       -1.234289000     -3.189288000     -0.456886000
O       -0.381907000      0.293261000      3.471381000
O        0.998157000     -2.852880000     -0.685487000
C       -0.383296000      1.056546000      4.681432000
H       -0.521551000      2.093635000      4.378616000
H       -1.204705000      0.738021000      5.331243000
H        0.558282000      0.937159000      5.222065000
C        0.855129000     -3.152625000     -2.079727000
H        0.194767000     -2.419699000     -2.552510000
H        1.858162000     -3.086649000     -2.499596000
H        0.446073000     -4.157087000     -2.222260000
150
TS1 (G (BS1) = -3199.777855)
Au      -2.619359000      0.175628000     -0.172621000
C       -4.659453000      0.227060000     -0.227491000
N       -5.472061000      1.306995000     -0.379985000
N       -5.520615000     -0.814075000     -0.058319000
C       -0.613930000      0.092683000     -0.079451000
C       -4.986420000      2.644292000     -0.570176000
C       -4.884433000      3.134669000     -1.881102000
C       -5.152538000      2.260062000     -3.088971000
H       -5.701153000      1.369005000     -2.757925000
C       -3.823116000      1.785049000     -3.678050000
H       -3.234543000      2.633808000     -4.045011000
H       -3.989439000      1.103552000     -4.519018000
H       -3.214473000      1.262444000     -2.930028000
C       -6.003187000      2.957589000     -4.145062000
H       -6.956141000      3.308987000     -3.736061000
H       -6.224080000      2.273209000     -4.970212000
H       -5.488649000      3.823449000     -4.576242000
C       -4.428565000      4.444947000     -2.040430000
H       -4.326875000      4.853857000     -3.042748000
C       -4.085211000      5.222565000     -0.940599000
H       -3.732974000      6.240282000     -1.086599000
C       -4.170771000      4.697133000      0.342161000
H       -3.879088000      5.303780000      1.196588000
C       -4.616866000      3.390762000      0.558187000
C       -4.665297000      2.832163000      1.966133000
H       -5.007315000      1.791494000      1.911971000
C       -3.273475000      2.817785000      2.596250000
H       -2.570705000      2.224852000      1.999107000
H       -3.312710000      2.389175000      3.603712000
H       -2.864070000      3.830804000      2.685681000
C       -5.658387000      3.602832000      2.832580000
H       -5.363812000      4.653053000      2.941566000
H       -5.712497000      3.171359000      3.837585000
H       -6.667096000      3.586299000      2.405679000
C       -6.807863000      0.951501000     -0.297421000
H       -7.597982000      1.679208000     -0.398400000
C       -6.836900000     -0.390455000     -0.092497000
H       -7.659058000     -1.078482000      0.029193000
C       -5.077733000     -2.154337000      0.221382000
C       -4.737617000     -2.471915000      1.543971000
C       -4.231265000     -3.751298000      1.784075000
H       -3.933028000     -4.021727000      2.794448000
C       -4.086792000     -4.666689000      0.750899000
H       -3.672073000     -5.650178000      0.953877000
C       -4.459347000     -4.328950000     -0.544459000
H       -4.327665000     -5.051409000     -1.345047000
C       -4.960776000     -3.061771000     -0.843019000
C       -5.303218000     -2.665439000     -2.265501000
H       -6.046705000     -1.857550000     -2.220599000
C       -4.067417000     -2.118755000     -2.981567000
H       -3.638489000     -1.257178000     -2.456689000
H       -4.318517000     -1.809711000     -4.002888000
H       -3.281239000     -2.878536000     -3.031792000
C       -5.920607000     -3.807270000     -3.065501000
H       -5.193574000     -4.602078000     -3.263443000
H       -6.266164000     -3.444374000     -4.038685000
H       -6.775818000     -4.258218000     -2.551395000
C       -4.908151000     -1.497335000      2.692260000
H       -5.398854000     -0.593388000      2.309331000
C       -5.810541000     -2.080194000      3.777708000
H       -6.785824000     -2.378996000      3.378827000
H       -5.982430000     -1.345953000      4.571818000
H       -5.359454000     -2.963436000      4.243478000
C       -3.559477000     -1.077653000      3.271119000
H       -2.986848000     -1.941836000      3.623924000
H       -3.702216000     -0.399487000      4.120633000
H       -2.948808000     -0.564337000      2.517524000
C        0.622422000      0.265622000     -0.229983000
Au       2.607458000      0.271526000     -0.228287000
C        4.650818000      0.255718000     -0.103537000
N        5.488535000     -0.812447000     -0.020695000
N        5.475265000      1.332478000      0.025893000
C        5.059079000     -2.183232000     -0.080131000
C        4.643361000     -2.804625000      1.107286000
C        4.569066000     -2.073678000      2.432047000
H        4.999071000     -1.073163000      2.297485000
C        3.113969000     -1.896676000      2.862185000
H        2.616549000     -2.861872000      3.006755000
H        3.050355000     -1.345147000      3.806853000
H        2.540232000     -1.352425000      2.102523000
C        5.383938000     -2.780014000      3.512082000
H        6.432610000     -2.899313000      3.218377000
H        5.359446000     -2.209788000      4.446483000
H        4.984498000     -3.776735000      3.729871000
C        4.261790000     -4.145961000      1.026277000
H        3.919271000     -4.652861000      1.925455000
C        4.300585000     -4.830790000     -0.181209000
H        3.998321000     -5.873733000     -0.220969000
C        4.701911000     -4.180670000     -1.341895000
H        4.711277000     -4.719003000     -2.287893000
C        5.079356000     -2.835882000     -1.320919000
C        5.457326000     -2.132896000     -2.608766000
H        5.723903000     -1.096226000     -2.370353000
C        4.266765000     -2.088784000     -3.565140000
H        3.391297000     -1.625974000     -3.096543000
H        4.513113000     -1.516485000     -4.465850000
H        3.978825000     -3.097039000     -3.885797000
C        6.671402000     -2.782219000     -3.267273000
H        6.466078000     -3.821166000     -3.548695000
H        6.952233000     -2.245946000     -4.179579000
H        7.540275000     -2.788103000     -2.600416000
C        6.800907000     -0.413775000      0.163338000
H        7.604946000     -1.127973000      0.251828000
C        6.792780000      0.942976000      0.196587000
H        7.587350000      1.661728000      0.322963000
C        4.998579000      2.686787000      0.087880000
C        5.064043000      3.477298000     -1.071455000
C        4.580603000      4.783550000     -0.982178000
H        4.608882000      5.423591000     -1.859701000
C        4.054971000      5.272760000      0.209094000
H        3.683261000      6.292767000      0.256480000
C        3.998520000      4.462951000      1.335283000
H        3.582684000      4.851736000      2.262161000
C        4.465977000      3.146516000      1.301266000
C        4.397438000      2.290379000      2.549760000
H        4.740253000      1.279630000      2.298223000
C        2.966094000      2.162783000      3.064994000
H        2.302246000      1.730877000      2.306901000
H        2.938270000      1.517930000      3.949875000
H        2.554297000      3.136468000      3.355863000
C        5.326189000      2.837240000      3.632262000
H        5.022382000      3.842605000      3.946281000
H        5.307518000      2.195460000      4.519330000
H        6.363432000      2.900215000      3.285328000
C        5.565840000      2.909799000     -2.384209000
H        6.276734000      2.105326000     -2.153945000
C        6.298272000      3.934159000     -3.242665000
H        7.099263000      4.438059000     -2.692326000
H        6.745852000      3.445942000     -4.113939000
H        5.620661000      4.704534000     -3.626191000
C        4.404729000      2.287896000     -3.163339000
H        3.675821000      3.055237000     -3.447651000
H        4.763372000      1.808473000     -4.080989000
H        3.868644000      1.536178000     -2.572099000
C       -0.277944000     -1.469170000      1.198803000
C       -0.236905000     -2.636527000      0.675786000
C       -0.251550000     -0.972189000      2.573873000
C       -0.245104000     -3.133685000     -0.657957000
O       -0.207601000     -1.703432000      3.548635000
O       -1.240757000     -3.391773000     -1.321300000
O       -0.284331000      0.375715000      2.679309000
O        1.022955000     -3.356650000     -1.115754000
C       -0.282331000      0.852201000      4.020188000
H       -0.256890000      1.940346000      3.950133000
H       -1.181073000      0.529250000      4.555569000
H        0.589525000      0.485382000      4.570173000
C        1.077555000     -3.866183000     -2.442297000
H        0.772092000     -3.107686000     -3.171392000
H        2.118391000     -4.144567000     -2.615705000
H        0.428716000     -4.739242000     -2.559439000
150
Int1-trans (G (BS1) = -3199.815298)
Au      -1.707453000      0.089654000      0.110323000
C       -2.946944000      1.452262000     -0.717476000
N       -2.668091000      2.782930000     -0.791298000
N       -4.217652000      1.345332000     -1.177289000
C       -1.032408000     -1.598848000      1.742903000
C       -1.422150000      3.338181000     -0.341911000
C       -0.458616000      3.669131000     -1.308592000
C       -0.685341000      3.372156000     -2.778103000
H       -1.760661000      3.462442000     -2.981924000
C       -0.279968000      1.927364000     -3.089440000
H        0.792735000      1.784688000     -2.914196000
H       -0.485148000      1.684213000     -4.138306000
H       -0.808841000      1.200177000     -2.461824000
C        0.040229000      4.335972000     -3.708277000
H       -0.182764000      5.382446000     -3.477166000
H       -0.250982000      4.150921000     -4.746672000
H        1.127693000      4.206922000     -3.657629000
C        0.746903000      4.200406000     -0.846991000
H        1.515691000      4.490473000     -1.558638000
C        0.983555000      4.360345000      0.513123000
H        1.933376000      4.765278000      0.848089000
C        0.022928000      3.993328000      1.444209000
H        0.229989000      4.111934000      2.505571000
C       -1.209743000      3.473622000      1.040287000
C       -2.260384000      3.114734000      2.072394000
H       -3.033306000      2.513821000      1.579380000
C       -1.694466000      2.261499000      3.203137000
H       -1.241457000      1.337407000      2.827062000
H       -2.494517000      1.981082000      3.895938000
H       -0.936034000      2.796369000      3.787268000
C       -2.933803000      4.375506000      2.613381000
H       -2.215199000      5.015153000      3.139534000
H       -3.727744000      4.114028000      3.321536000
H       -3.383040000      4.972825000      1.812482000
C       -3.748673000      3.493090000     -1.284955000
H       -3.716863000      4.563530000     -1.415938000
C       -4.726315000      2.583450000     -1.532008000
H       -5.726202000      2.694726000     -1.921464000
C       -4.944417000      0.105377000     -1.226148000
C       -5.716546000     -0.250658000     -0.109875000
C       -6.404389000     -1.462849000     -0.176801000
H       -6.997494000     -1.786238000      0.674435000
C       -6.321522000     -2.271235000     -1.304063000
H       -6.859010000     -3.215256000     -1.329586000
C       -5.537815000     -1.892783000     -2.385717000
H       -5.455894000     -2.548384000     -3.249815000
C       -4.819704000     -0.696533000     -2.368716000
C       -3.909624000     -0.325401000     -3.522607000
H       -3.568619000      0.707659000     -3.371702000
C       -2.667114000     -1.217013000     -3.541161000
H       -2.133706000     -1.187859000     -2.584467000
H       -1.984875000     -0.904199000     -4.340568000
H       -2.938350000     -2.263688000     -3.720425000
C       -4.636067000     -0.374793000     -4.863813000
H       -4.967915000     -1.390742000     -5.105122000
H       -3.973072000     -0.051532000     -5.673429000
H       -5.520023000      0.271509000     -4.874486000
C       -5.777477000      0.606991000      1.140191000
H       -5.406383000      1.609197000      0.885078000
C       -7.202290000      0.771605000      1.661121000
H       -7.881591000      1.146092000      0.888114000
H       -7.223064000      1.477719000      2.497691000
H       -7.609832000     -0.174391000      2.032815000
C       -4.866044000      0.044463000      2.233795000
H       -5.156870000     -0.973050000      2.515535000
H       -4.914306000      0.670557000      3.133541000
H       -3.820804000     -0.001479000      1.903566000
C       -0.132658000     -1.033167000      1.073256000
Au       1.657960000     -0.537405000      0.306502000
C        3.604227000     -0.383095000     -0.291283000
N        4.270976000     -1.477753000     -0.753879000
N        4.585613000      0.544593000     -0.102148000
C        3.641543000     -2.759685000     -0.928416000
C        3.639659000     -3.638180000      0.166468000
C        4.223796000     -3.270851000      1.516602000
H        4.635714000     -2.255334000      1.453581000
C        3.136188000     -3.252621000      2.590178000
H        2.721166000     -4.252630000      2.756913000
H        3.543863000     -2.900288000      3.544351000
H        2.302897000     -2.597646000      2.311045000
C        5.364673000     -4.206880000      1.908058000
H        6.168730000     -4.207382000      1.164276000
H        5.796386000     -3.909263000      2.869239000
H        5.012974000     -5.239353000      2.013201000
C        3.026192000     -4.879809000     -0.012979000
H        3.002086000     -5.583952000      0.815542000
C        2.430515000     -5.215256000     -1.222056000
H        1.957605000     -6.186494000     -1.339155000
C        2.415671000     -4.306520000     -2.273151000
H        1.912204000     -4.563562000     -3.203069000
C        3.016061000     -3.051238000     -2.148785000
C        2.920960000     -2.043474000     -3.275506000
H        3.525579000     -1.169434000     -3.003555000
C        1.475780000     -1.570739000     -3.446321000
H        1.065729000     -1.169181000     -2.510537000
H        1.410931000     -0.788422000     -4.211472000
H        0.826087000     -2.396203000     -3.761238000
C        3.471322000     -2.598532000     -4.585983000
H        2.889583000     -3.459685000     -4.932927000
H        3.429192000     -1.839779000     -5.374189000
H        4.512546000     -2.922397000     -4.486165000
C        5.631135000     -1.249663000     -0.839254000
H        6.317600000     -2.009294000     -1.178992000
C        5.831962000      0.025478000     -0.425585000
H        6.731161000      0.614191000     -0.331840000
C        4.422169000      1.880409000      0.404684000
C        4.656661000      2.949825000     -0.484453000
C        4.645732000      4.238877000      0.048274000
H        4.834770000      5.087770000     -0.602218000
C        4.403432000      4.452715000      1.402886000
H        4.413035000      5.464905000      1.799407000
C        4.126927000      3.383391000      2.240529000
H        3.915815000      3.559426000      3.293156000
C        4.128208000      2.067036000      1.763773000
C        3.838037000      0.934349000      2.727974000
H        3.808405000     -0.004948000      2.165887000
C        2.462780000      1.110543000      3.372407000
H        1.680525000      1.231007000      2.614445000
H        2.201124000      0.232673000      3.973226000
H        2.432872000      1.987114000      4.031318000
C        4.939576000      0.803955000      3.776685000
H        5.019695000      1.707678000      4.391868000
H        4.732037000     -0.035205000      4.448978000
H        5.918021000      0.629886000      3.314751000
C        4.864317000      2.697421000     -1.967609000
H        5.542334000      1.840200000     -2.071114000
C        5.498963000      3.867274000     -2.705205000
H        6.441401000      4.185148000     -2.248183000
H        5.708065000      3.589397000     -3.742381000
H        4.831839000      4.736281000     -2.736878000
C        3.541988000      2.309971000     -2.637380000
H        2.871652000      3.175567000     -2.681188000
H        3.707852000      1.968489000     -3.665480000
H        3.011165000      1.519057000     -2.097395000
C       -2.088586000     -2.343604000      2.347873000
C       -2.784097000     -3.268609000      1.618479000
C       -2.478825000     -2.008588000      3.734446000
C       -2.424435000     -3.439198000      0.247715000
O       -3.383002000     -2.493189000      4.385102000
O       -2.920179000     -2.818094000     -0.694471000
O       -1.668194000     -1.028523000      4.241416000
O       -1.514791000     -4.446402000      0.035911000
C       -1.994938000     -0.619130000      5.561408000
H       -1.284054000      0.167844000      5.820276000
H       -3.018498000     -0.233361000      5.617854000
H       -1.906588000     -1.449280000      6.269201000
C       -1.159309000     -4.612544000     -1.329040000
H       -0.588896000     -3.749491000     -1.696812000
H       -0.537563000     -5.508683000     -1.375430000
H       -2.043158000     -4.738813000     -1.962644000
150
TS2 (G (BS1) = -3199.806403)
Au      -1.713444000     -0.435616000     -0.376728000
C       -3.234243000     -1.369246000      0.588855000
N       -3.352888000     -2.648240000      1.032659000
N       -4.328234000     -0.730165000      1.084620000
C       -0.777298000      1.543238000     -1.373200000
C       -2.431060000     -3.693953000      0.690369000
C       -1.538774000     -4.150173000      1.677650000
C       -1.496098000     -3.503126000      3.048770000
H       -2.524934000     -3.245850000      3.333404000
C       -0.695637000     -2.199375000      2.994723000
H        0.355584000     -2.409487000      2.771779000
H       -0.738275000     -1.678524000      3.958262000
H       -1.055062000     -1.510699000      2.220630000
C       -0.936081000     -4.413550000      4.133526000
H       -1.447188000     -5.381007000      4.169034000
H       -1.044046000     -3.941247000      5.114363000
H        0.133704000     -4.605122000      3.990382000
C       -0.659624000     -5.172113000      1.318722000
H        0.041313000     -5.556902000      2.053839000
C       -0.656969000     -5.696754000      0.029503000
H        0.043008000     -6.487127000     -0.229416000
C       -1.541887000     -5.216192000     -0.924556000
H       -1.534955000     -5.631873000     -1.929746000
C       -2.458636000     -4.206565000     -0.614963000
C       -3.438668000     -3.735033000     -1.670504000
H       -4.081114000     -2.965610000     -1.227960000
C       -2.716616000     -3.100294000     -2.857210000
H       -2.108350000     -2.241889000     -2.546710000
H       -3.436184000     -2.750211000     -3.605689000
H       -2.051554000     -3.819097000     -3.349831000
C       -4.343432000     -4.877997000     -2.127012000
H       -3.771073000     -5.674063000     -2.616265000
H       -5.083729000     -4.516875000     -2.848762000
H       -4.884462000     -5.327347000     -1.287584000
C       -4.506783000     -2.807746000      1.784407000
H       -4.782128000     -3.760772000      2.208755000
C       -5.115710000     -1.594708000      1.823178000
H       -6.027211000     -1.268094000      2.299366000
C       -4.583510000      0.662317000      0.811766000
C       -5.529939000      0.974986000     -0.178980000
C       -5.665607000      2.320177000     -0.526946000
H       -6.364318000      2.603136000     -1.310528000
C       -4.883291000      3.297294000      0.078940000
H       -4.961165000      4.331600000     -0.244515000
C       -3.970822000      2.959925000      1.069722000
H       -3.336715000      3.735825000      1.494762000
C       -3.801198000      1.628883000      1.464097000
C       -2.838088000      1.287874000      2.585229000
H       -2.702550000      0.198432000      2.608544000
C       -1.461260000      1.923481000      2.405626000
H       -0.958013000      1.574126000      1.495369000
H       -0.821312000      1.663678000      3.257454000
H       -1.511868000      3.016544000      2.339130000
C       -3.448102000      1.696325000      3.927714000
H       -3.590087000      2.781650000      3.979622000
H       -2.791470000      1.407500000      4.756218000
H       -4.424671000      1.226941000      4.093589000
C       -6.306345000     -0.108767000     -0.902816000
H       -6.373984000     -0.980568000     -0.240081000
C       -7.731609000      0.304353000     -1.249930000
H       -8.282890000      0.655279000     -0.371960000
H       -8.280449000     -0.541829000     -1.675802000
H       -7.752560000      1.105200000     -1.996657000
C       -5.556397000     -0.551476000     -2.160301000
H       -5.563882000      0.248729000     -2.907157000
H       -6.029337000     -1.431785000     -2.612530000
H       -4.507186000     -0.791178000     -1.950355000
C        0.020750000      0.598295000     -1.130813000
Au       1.885571000      0.131622000     -0.513984000
C        3.802993000      0.135880000      0.185536000
N        4.255531000      1.092562000      1.043715000
N        4.910227000     -0.585309000     -0.128318000
C        3.382588000      2.094096000      1.600438000
C        2.985459000      3.164597000      0.784350000
C        3.556024000      3.409649000     -0.599421000
H        4.139664000      2.527846000     -0.897459000
C        2.467637000      3.620010000     -1.649085000
H        1.842307000      4.491110000     -1.426336000
H        2.919662000      3.778084000     -2.634474000
H        1.802284000      2.752402000     -1.717199000
C        4.507452000      4.606651000     -0.563250000
H        5.316348000      4.468724000      0.163079000
H        4.961688000      4.772345000     -1.546028000
H        3.969331000      5.521859000     -0.288882000
C        2.037440000      4.046866000      1.309498000
H        1.674085000      4.860473000      0.688362000
C        1.523833000      3.873262000      2.587367000
H        0.758627000      4.552355000      2.954225000
C        1.957260000      2.815696000      3.379529000
H        1.539131000      2.683662000      4.374335000
C        2.888558000      1.893271000      2.899452000
C        3.258087000      0.664554000      3.706009000
H        4.238415000      0.307689000      3.363866000
C        2.240731000     -0.445568000      3.436305000
H        2.145863000     -0.663693000      2.364595000
H        2.516030000     -1.371932000      3.956166000
H        1.248484000     -0.143102000      3.790586000
C        3.368952000      0.937361000      5.201116000
H        2.398726000      1.192713000      5.640605000
H        3.731238000      0.047205000      5.725138000
H        4.057910000      1.759599000      5.418289000
C        5.614576000      0.967017000      1.262359000
H        6.152397000      1.640918000      1.911061000
C        6.028955000     -0.098838000      0.529753000
H        7.000388000     -0.552751000      0.411127000
C        4.885607000     -1.739610000     -0.981926000
C        4.405630000     -2.945194000     -0.451819000
C        4.381471000     -4.053816000     -1.302732000
H        4.017090000     -5.004680000     -0.920119000
C        4.813846000     -3.955124000     -2.617791000
H        4.788474000     -4.828605000     -3.263551000
C        5.277401000     -2.741588000     -3.116072000
H        5.603088000     -2.678217000     -4.150602000
C        5.320685000     -1.601636000     -2.311100000
C        5.748134000     -0.256948000     -2.866233000
H        6.171757000      0.330548000     -2.041015000
C        4.531435000      0.508584000     -3.392853000
H        3.754939000      0.632185000     -2.627947000
H        4.822654000      1.505085000     -3.742948000
H        4.074673000     -0.022920000     -4.235533000
C        6.818867000     -0.362122000     -3.945218000
H        6.430293000     -0.813027000     -4.864656000
H        7.182887000      0.634456000     -4.212685000
H        7.678003000     -0.956702000     -3.618586000
C        3.939953000     -3.083782000      0.982765000
H        3.980629000     -2.097376000      1.459526000
C        4.861562000     -4.012900000      1.770041000
H        5.900287000     -3.666127000      1.751425000
H        4.546712000     -4.070932000      2.817583000
H        4.845923000     -5.030723000      1.363137000
C        2.492669000     -3.563480000      1.050887000
H        2.375862000     -4.549997000      0.587019000
H        2.168164000     -3.651781000      2.094264000
H        1.808303000     -2.875083000      0.539140000
C       -1.565814000      2.730731000     -1.549646000
C       -1.301812000      3.797153000     -0.798065000
C       -2.613474000      2.740079000     -2.612629000
C       -1.060806000      4.871976000     -0.004488000
O       -3.317028000      3.678521000     -2.923923000
O       -1.580991000      5.141102000      1.100248000
O       -2.679976000      1.532263000     -3.245226000
O       -0.104395000      5.743840000     -0.564386000
C       -3.586315000      1.492158000     -4.340849000
H       -3.659924000      0.444818000     -4.638756000
H       -4.568569000      1.883301000     -4.059533000
H       -3.209773000      2.090209000     -5.177174000
C        0.047970000      6.952400000      0.153410000
H        0.295101000      6.788192000      1.209030000
H        0.868121000      7.488020000     -0.332588000
H       -0.857176000      7.571346000      0.117134000
150
Int1-cis (G (BS1) = -3199.820783)
Au      -1.153285000     -0.734936000     -0.242599000
C       -2.339014000     -2.282523000      0.365297000
N       -2.219502000     -3.626396000      0.551398000
N       -3.652100000     -2.024846000      0.627407000
C       -1.279783000      2.063388000     -0.941894000
C       -1.032622000     -4.415427000      0.372286000
C       -0.408212000     -4.933257000      1.524045000
C       -0.864381000     -4.512027000      2.909224000
H       -1.959141000     -4.435124000      2.892685000
C       -0.318174000     -3.122121000      3.251395000
H        0.767876000     -3.165689000      3.392745000
H       -0.756781000     -2.749136000      4.184372000
H       -0.518095000     -2.384074000      2.464918000
C       -0.495676000     -5.505362000      4.001993000
H       -0.840204000     -6.519195000      3.774463000
H       -0.946494000     -5.203882000      4.952114000
H        0.587079000     -5.548266000      4.164105000
C        0.669931000     -5.798360000      1.333817000
H        1.176642000     -6.219400000      2.197903000
C        1.102425000     -6.133945000      0.053538000
H        1.936253000     -6.820234000     -0.072114000
C        0.482912000     -5.585439000     -1.060234000
H        0.838214000     -5.836491000     -2.057964000
C       -0.597710000     -4.705273000     -0.928728000
C       -1.225355000     -4.101412000     -2.167533000
H       -2.063980000     -3.466694000     -1.859929000
C       -0.218302000     -3.205112000     -2.888313000
H        0.185705000     -2.432642000     -2.221802000
H       -0.688504000     -2.697909000     -3.737430000
H        0.626770000     -3.787030000     -3.276748000
C       -1.778065000     -5.175147000     -3.100357000
H       -0.985292000     -5.835252000     -3.470637000
H       -2.256677000     -4.717607000     -3.972543000
H       -2.523641000     -5.801226000     -2.598608000
C       -3.437274000     -4.189094000      0.911135000
H       -3.539705000     -5.248258000      1.089106000
C       -4.335968000     -3.175278000      0.966415000
H       -5.387435000     -3.163119000      1.207313000
C       -4.224333000     -0.705729000      0.512088000
C       -4.931452000     -0.395648000     -0.661200000
C       -5.411340000      0.910380000     -0.788980000
H       -5.950362000      1.194943000     -1.689514000
C       -5.173166000      1.863101000      0.193964000
H       -5.492419000      2.893120000      0.063586000
C       -4.454847000      1.526644000      1.334139000
H       -4.247128000      2.302199000      2.067393000
C       -3.965932000      0.232163000      1.526072000
C       -3.207299000     -0.114245000      2.793170000
H       -2.811893000     -1.133239000      2.694051000
C       -2.017779000      0.814344000      3.029961000
H       -1.293764000      0.769692000      2.207648000
H       -1.497784000      0.538109000      3.955734000
H       -2.327257000      1.860920000      3.121163000
C       -4.153095000     -0.104715000      3.993751000
H       -4.573761000      0.894098000      4.155424000
H       -3.624445000     -0.394883000      4.908674000
H       -4.991044000     -0.797155000      3.855319000
C       -5.066544000     -1.387747000     -1.800767000
H       -4.952829000     -2.400916000     -1.393627000
C       -6.424773000     -1.325086000     -2.490470000
H       -7.251618000     -1.439324000     -1.782285000
H       -6.509731000     -2.119598000     -3.238750000
H       -6.568666000     -0.375392000     -3.017505000
C       -3.941838000     -1.169387000     -2.816114000
H       -4.039987000     -0.187182000     -3.290589000
H       -3.968258000     -1.932821000     -3.603259000
H       -2.951203000     -1.192719000     -2.344491000
C       -0.445314000      1.132417000     -0.868985000
Au       1.516196000      0.858803000     -0.400478000
C        3.451617000      0.865651000      0.224437000
N        3.911342000      1.640005000      1.245128000
N        4.561209000      0.254760000     -0.266616000
C        3.015266000      2.445150000      2.035413000
C        2.545996000      3.652367000      1.495199000
C        3.063534000      4.226907000      0.190482000
H        3.684071000      3.466416000     -0.301189000
C        1.934030000      4.580052000     -0.773168000
H        1.269916000      5.349838000     -0.366067000
H        2.342771000      4.963452000     -1.714241000
H        1.314616000      3.706096000     -1.002733000
C        3.952716000      5.440135000      0.463374000
H        4.795095000      5.190590000      1.118499000
H        4.360879000      5.840525000     -0.470679000
H        3.385615000      6.243452000      0.947270000
C        1.570541000      4.339658000      2.222353000
H        1.166266000      5.266457000      1.824134000
C        1.084981000      3.839545000      3.422681000
H        0.304677000      4.376603000      3.954046000
C        1.577560000      2.644946000      3.935742000
H        1.181006000      2.258705000      4.871279000
C        2.553142000      1.917597000      3.252346000
C        3.018230000      0.566602000      3.757687000
H        4.005918000      0.362470000      3.324209000
C        2.069405000     -0.531607000      3.272811000
H        1.923540000     -0.498873000      2.185814000
H        2.455683000     -1.523722000      3.537260000
H        1.081216000     -0.421467000      3.734851000
C        3.168165000      0.512686000      5.273491000
H        2.202055000      0.603527000      5.781295000
H        3.598621000     -0.446241000      5.579212000
H        3.818100000      1.308360000      5.651124000
C        5.281519000      1.516368000      1.386787000
H        5.827974000      2.056713000      2.144023000
C        5.692776000      0.636319000      0.436307000
H        6.670447000      0.247336000      0.197495000
C        4.503774000     -0.712568000     -1.327031000
C        4.053100000     -2.004333000     -1.020008000
C        3.942783000     -2.911220000     -2.078102000
H        3.575038000     -3.915764000     -1.874483000
C        4.278072000     -2.543390000     -3.373988000
H        4.181815000     -3.262738000     -4.182981000
C        4.728846000     -1.255341000     -3.644172000
H        4.979724000     -0.976730000     -4.663975000
C        4.844887000     -0.305591000     -2.627457000
C        5.237775000      1.127706000     -2.926585000
H        5.680677000      1.552896000     -2.016422000
C        3.992063000      1.953245000     -3.257354000
H        3.239566000      1.899546000     -2.461212000
H        4.250990000      3.007037000     -3.408921000
H        3.518875000      1.587614000     -4.175651000
C        6.273243000      1.247724000     -4.038226000
H        5.864607000      0.954740000     -5.011299000
H        6.605011000      2.286014000     -4.134360000
H        7.156232000      0.629407000     -3.847527000
C        3.659559000     -2.432010000      0.378824000
H        3.885151000     -1.612707000      1.073223000
C        4.448012000     -3.657192000      0.836393000
H        5.529235000     -3.487487000      0.802038000
H        4.179838000     -3.919553000      1.866021000
H        4.227785000     -4.531182000      0.212541000
C        2.160122000     -2.708075000      0.451524000
H        1.873541000     -3.490840000     -0.257549000
H        1.875735000     -3.048754000      1.451853000
H        1.565663000     -1.816097000      0.217148000
C       -2.220930000      3.115397000     -0.916489000
C       -2.290079000      3.886716000      0.213233000
C       -3.116622000      3.299353000     -2.088121000
C       -3.248912000      4.933782000      0.354511000
O       -3.982886000      4.146985000     -2.197513000
O       -4.328300000      4.834311000      0.941699000
O       -2.874124000      2.382185000     -3.068092000
O       -2.769513000      6.148859000     -0.071184000
C       -3.697014000      2.528020000     -4.220233000
H       -3.350593000      1.783684000     -4.938435000
H       -4.752413000      2.356900000     -3.981529000
H       -3.604531000      3.531011000     -4.646645000
C       -3.691838000      7.214820000      0.088514000
H       -4.002220000      7.334042000      1.132027000
H       -3.176210000      8.116599000     -0.248409000
H       -4.590502000      7.057520000     -0.518753000
150
Int2 (G (BS1) = -3199.819002)
Au      -1.829718000     -0.105086000      0.028595000
C       -2.910328000     -1.773152000      0.391514000
N       -2.575458000     -2.748567000      1.277975000
N       -4.102748000     -2.171118000     -0.121419000
C       -1.024080000      1.996140000     -0.281808000
C       -1.351881000     -2.708396000      2.029876000
C       -1.264079000     -1.835303000      3.125383000
C       -2.419965000     -0.974378000      3.593652000
H       -3.225953000     -1.047620000      2.855570000
C       -2.024998000      0.497951000      3.683502000
H       -1.278572000      0.670498000      4.468006000
H       -2.899289000      1.115149000      3.915353000
H       -1.608207000      0.862344000      2.737751000
C       -2.964611000     -1.482297000      4.927541000
H       -3.297759000     -2.524033000      4.861448000
H       -3.817538000     -0.877681000      5.252685000
H       -2.202092000     -1.429007000      5.713556000
C       -0.037994000     -1.772893000      3.793515000
H        0.067221000     -1.100553000      4.642375000
C        1.044481000     -2.537332000      3.380247000
H        1.991808000     -2.465229000      3.909870000
C        0.930391000     -3.375468000      2.277243000
H        1.792750000     -3.943158000      1.936116000
C       -0.268686000     -3.475031000      1.570652000
C       -0.341713000     -4.266822000      0.280421000
H       -1.390258000     -4.532128000      0.093714000
C        0.126945000     -3.375734000     -0.873427000
H       -0.465790000     -2.454764000     -0.942361000
H        0.061686000     -3.904846000     -1.832743000
H        1.171230000     -3.075732000     -0.722413000
C        0.457920000     -5.563512000      0.319718000
H        1.535255000     -5.375994000      0.388396000
H        0.295973000     -6.134190000     -0.600685000
H        0.172482000     -6.198812000      1.164400000
C       -3.543164000     -3.737425000      1.320546000
H       -3.456352000     -4.595049000      1.969298000
C       -4.504912000     -3.374290000      0.432290000
H       -5.430871000     -3.850407000      0.148169000
C       -4.812606000     -1.409076000     -1.111961000
C       -4.310914000     -1.395299000     -2.423474000
C       -4.975398000     -0.592107000     -3.352370000
H       -4.611109000     -0.557514000     -4.376795000
C       -6.078396000      0.168309000     -2.985407000
H       -6.566537000      0.804911000     -3.717973000
C       -6.548683000      0.130715000     -1.680097000
H       -7.394211000      0.751552000     -1.393394000
C       -5.926554000     -0.657247000     -0.709743000
C       -6.442990000     -0.637113000      0.715916000
H       -5.866831000     -1.359524000      1.306517000
C       -6.239537000      0.737322000      1.350802000
H       -5.183223000      1.022109000      1.359425000
H       -6.612842000      0.745161000      2.381514000
H       -6.775910000      1.513510000      0.793327000
C       -7.908378000     -1.062486000      0.778319000
H       -8.552401000     -0.359352000      0.238500000
H       -8.258234000     -1.092197000      1.815566000
H       -8.067591000     -2.054710000      0.341502000
C       -3.116786000     -2.220699000     -2.860300000
H       -2.678951000     -2.696213000     -1.974809000
C       -3.546824000     -3.338560000     -3.808642000
H       -4.295587000     -3.993205000     -3.349253000
H       -2.688093000     -3.957574000     -4.091992000
H       -3.982370000     -2.934755000     -4.729986000
C       -2.030382000     -1.354998000     -3.492994000
H       -2.382826000     -0.874584000     -4.412894000
H       -1.159698000     -1.965762000     -3.755010000
H       -1.697785000     -0.562504000     -2.811525000
C       -0.042884000      1.212025000     -0.246195000
Au       1.830416000      0.503418000     -0.153312000
C        3.856115000      0.210034000     -0.194835000
N        4.702039000      1.254647000      0.030421000
N        4.673300000     -0.779918000     -0.653374000
C        4.238890000      2.554245000      0.435529000
C        3.943065000      3.488746000     -0.568849000
C        4.076166000      3.176512000     -2.046227000
H        4.481248000      2.162241000     -2.151339000
C        2.707991000      3.190534000     -2.726799000
H        2.252243000      4.186825000     -2.690468000
H        2.798521000      2.905363000     -3.781394000
H        2.010229000      2.496491000     -2.243521000
C        5.047029000      4.131687000     -2.735557000
H        6.042299000      4.100252000     -2.279062000
H        5.155069000      3.876277000     -3.794682000
H        4.694047000      5.167777000     -2.684436000
C        3.460027000      4.732622000     -0.158784000
H        3.224971000      5.481398000     -0.912380000
C        3.252677000      5.015166000      1.185717000
H        2.856856000      5.983607000      1.480489000
C        3.537643000      4.059549000      2.153538000
H        3.356807000      4.281715000      3.202825000
C        4.038651000      2.804144000      1.800855000
C        4.287181000      1.753810000      2.863620000
H        4.779105000      0.896382000      2.386957000
C        2.962990000      1.261617000      3.449588000
H        2.286748000      0.888990000      2.670371000
H        3.134177000      0.454646000      4.171312000
H        2.439502000      2.070309000      3.972483000
C        5.213060000      2.264881000      3.963660000
H        4.763004000      3.099840000      4.511563000
H        5.419084000      1.473469000      4.691847000
H        6.171369000      2.610707000      3.562863000
C        6.006508000      0.935761000     -0.294842000
H        6.811419000      1.646173000     -0.188407000
C        5.989064000     -0.348211000     -0.731556000
H        6.777079000     -0.993951000     -1.086559000
C        4.247607000     -2.096687000     -1.038317000
C        4.609133000     -3.175599000     -0.206497000
C        4.223204000     -4.453126000     -0.614589000
H        4.478400000     -5.311386000      0.000722000
C        3.526265000     -4.646200000     -1.804256000
H        3.237116000     -5.650638000     -2.103136000
C        3.196186000     -3.563512000     -2.605380000
H        2.651862000     -3.724167000     -3.533333000
C        3.541333000     -2.257630000     -2.239592000
C        3.169045000     -1.103198000     -3.149196000
H        3.404145000     -0.165185000     -2.634726000
C        1.670219000     -1.087700000     -3.440495000
H        1.082637000     -1.078373000     -2.515294000
H        1.396223000     -0.193458000     -4.010857000
H        1.364554000     -1.960874000     -4.029215000
C        3.985398000     -1.140087000     -4.439191000
H        3.782985000     -2.050738000     -5.014894000
H        3.736345000     -0.284406000     -5.075690000
H        5.062363000     -1.107921000     -4.240628000
C        5.363241000     -2.947522000      1.091964000
H        6.080303000     -2.134994000      0.920981000
C        6.161313000     -4.159487000      1.552703000
H        6.829594000     -4.536942000      0.772320000
H        6.774008000     -3.898157000      2.420614000
H        5.509366000     -4.983612000      1.862433000
C        4.417140000     -2.485530000      2.202785000
H        3.783210000     -3.317953000      2.526996000
H        4.980894000     -2.141799000      3.077538000
H        3.755767000     -1.673476000      1.881769000
C       -2.093189000      2.953865000     -0.275452000
C       -3.344864000      2.494424000     -0.016197000
C       -1.760410000      4.378434000     -0.502516000
C       -4.510894000      3.321705000      0.012206000
O       -2.547590000      5.305636000     -0.471216000
O       -5.303612000      3.490705000     -0.909451000
O       -0.431088000      4.558856000     -0.754840000
O       -4.772448000      3.782900000      1.285821000
C       -0.058791000      5.916804000     -0.959570000
H        0.992202000      5.906659000     -1.251087000
H       -0.661757000      6.379182000     -1.746052000
H       -0.182771000      6.502473000     -0.042531000
C       -5.957686000      4.552915000      1.384172000
H       -6.844278000      3.982973000      1.082883000
H       -6.047453000      4.842014000      2.433512000
H       -5.903947000      5.450946000      0.758695000
150
TS3 (G (BS1) = -3199.816291)
Au      -1.996155000     -0.002893000      0.014600000
C       -2.901703000     -1.765123000      0.370264000
N       -2.527697000     -2.708906000      1.277296000
N       -4.043636000     -2.259415000     -0.179923000
C       -0.954381000      2.016105000     -0.399936000
C       -1.317585000     -2.598569000      2.040203000
C       -1.288552000     -1.732373000      3.143660000
C       -2.493708000     -0.929129000      3.588823000
H       -3.282123000     -1.047416000      2.837147000
C       -2.170655000      0.561202000      3.668559000
H       -1.460121000      0.779277000      4.474651000
H       -3.079145000      1.141594000      3.861711000
H       -1.737170000      0.928425000      2.731072000
C       -3.037971000     -1.448996000      4.917645000
H       -3.321711000     -2.505507000      4.856417000
H       -3.924081000     -0.881179000      5.220324000
H       -2.293883000     -1.352838000      5.717238000
C       -0.078207000     -1.614958000      3.833149000
H       -0.021984000     -0.949194000      4.691965000
C        1.050226000     -2.314162000      3.425337000
H        1.985390000     -2.199700000      3.969245000
C        0.995696000     -3.140571000      2.308940000
H        1.892568000     -3.652313000      1.968123000
C       -0.187056000     -3.296606000      1.586111000
C       -0.193684000     -4.077805000      0.287905000
H       -1.229904000     -4.347380000      0.048154000
C        0.322370000     -3.174027000     -0.834878000
H       -0.268566000     -2.252007000     -0.913727000
H        0.296391000     -3.692666000     -1.801713000
H        1.360591000     -2.875721000     -0.638740000
C        0.609133000     -5.371502000      0.358894000
H        1.678123000     -5.181834000      0.506243000
H        0.514382000     -5.926748000     -0.580324000
H        0.268723000     -6.022680000      1.170802000
C       -3.416864000     -3.771776000      1.290789000
H       -3.285660000     -4.617488000      1.947889000
C       -4.369261000     -3.490401000      0.365028000
H       -5.242039000     -4.040629000      0.049534000
C       -4.766320000     -1.565200000     -1.207805000
C       -4.206147000     -1.509989000     -2.493647000
C       -4.893527000     -0.767187000     -3.456724000
H       -4.486431000     -0.701470000     -4.463251000
C       -6.074284000     -0.107048000     -3.145539000
H       -6.582873000      0.480942000     -3.904398000
C       -6.603755000     -0.184838000     -1.863174000
H       -7.513901000      0.358934000     -1.625360000
C       -5.960948000     -0.913355000     -0.861012000
C       -6.488825000     -0.910443000      0.561271000
H       -6.080720000     -1.785470000      1.082816000
C       -5.994167000      0.338546000      1.292149000
H       -4.901197000      0.418824000      1.275430000
H       -6.327570000      0.342775000      2.337078000
H       -6.381663000      1.238730000      0.802740000
C       -8.008701000     -1.010211000      0.630022000
H       -8.493636000     -0.113013000      0.230705000
H       -8.334603000     -1.109895000      1.670346000
H       -8.392427000     -1.871866000      0.073543000
C       -2.929565000     -2.235739000     -2.871866000
H       -2.476409000     -2.645723000     -1.961240000
C       -3.234227000     -3.410741000     -3.800062000
H       -3.939301000     -4.114832000     -3.344447000
H       -2.318539000     -3.962463000     -4.041310000
H       -3.673267000     -3.070018000     -4.745108000
C       -1.903323000     -1.294250000     -3.494987000
H       -2.271266000     -0.852522000     -4.427886000
H       -0.982773000     -1.837981000     -3.732344000
H       -1.647163000     -0.472941000     -2.814173000
C       -0.001932000      1.201691000     -0.372546000
Au       1.856598000      0.473192000     -0.220599000
C        3.892018000      0.242726000     -0.153235000
N        4.668876000      1.334592000      0.103549000
N        4.785180000     -0.709226000     -0.543460000
C        4.098372000      2.611345000      0.440348000
C        3.775872000      3.483032000     -0.611393000
C        4.051027000      3.152230000     -2.064721000
H        4.512402000      2.158153000     -2.112287000
C        2.756026000      3.089566000     -2.872844000
H        2.275640000      4.072605000     -2.936148000
H        2.959370000      2.757791000     -3.897684000
H        2.032008000      2.398697000     -2.425326000
C        5.033524000      4.146526000     -2.679591000
H        5.982362000      4.174318000     -2.132985000
H        5.252320000      3.885362000     -3.720115000
H        4.623196000      5.162878000     -2.676565000
C        3.141920000      4.680062000     -0.276348000
H        2.878614000      5.375742000     -1.070373000
C        2.823157000      4.978522000      1.042747000
H        2.309827000      5.906862000      1.279779000
C        3.147333000      4.088272000      2.059164000
H        2.880680000      4.323164000      3.086819000
C        3.793859000      2.881506000      1.782214000
C        4.081543000      1.893979000      2.895174000
H        4.716341000      1.096107000      2.488133000
C        2.786767000      1.247586000      3.390994000
H        2.246720000      0.740850000      2.581654000
H        2.997798000      0.513018000      4.176811000
H        2.108001000      1.998901000      3.811277000
C        4.840993000      2.542299000      4.049059000
H        4.244693000      3.320125000      4.538438000
H        5.087775000      1.796984000      4.812187000
H        5.775618000      3.003834000      3.714431000
C        6.004599000      1.079822000     -0.139112000
H        6.765016000      1.832174000     -0.000369000
C        6.079612000     -0.210567000     -0.551465000
H        6.920252000     -0.819030000     -0.846093000
C        4.441803000     -2.056302000     -0.903602000
C        4.796208000     -3.086204000     -0.009031000
C        4.467029000     -4.391224000     -0.376304000
H        4.718163000     -5.213324000      0.288343000
C        3.828799000     -4.657224000     -1.584992000
H        3.582119000     -5.682054000     -1.850083000
C        3.506110000     -3.621499000     -2.448603000
H        3.009571000     -3.837460000     -3.392146000
C        3.798634000     -2.290769000     -2.127408000
C        3.444427000     -1.189310000     -3.107539000
H        3.640045000     -0.221706000     -2.631812000
C        1.960407000     -1.218827000     -3.464514000
H        1.333654000     -1.149177000     -2.568157000
H        1.701904000     -0.374301000     -4.112407000
H        1.691361000     -2.137802000     -3.999222000
C        4.317790000     -1.273380000     -4.357558000
H        4.156339000     -2.214529000     -4.896100000
H        4.082615000     -0.454055000     -5.045195000
H        5.384111000     -1.211634000     -4.113660000
C        5.480560000     -2.779795000      1.311544000
H        6.161564000     -1.936282000      1.144579000
C        6.319200000     -3.934715000      1.842262000
H        7.041336000     -4.296050000      1.103321000
H        6.876812000     -3.618481000      2.728914000
H        5.698389000     -4.784849000      2.145364000
C        4.466881000     -2.333469000      2.368069000
H        3.865807000     -3.187627000      2.699431000
H        4.976906000     -1.929902000      3.250219000
H        3.776722000     -1.569224000      1.993219000
C       -2.067831000      2.921193000     -0.341358000
C       -3.247845000      2.340110000     -0.006284000
C       -1.885034000      4.367509000     -0.580743000
C       -4.495012000      3.033257000      0.137388000
O       -2.749646000      5.216406000     -0.466878000
O       -5.361832000      3.157310000     -0.720488000
O       -0.610982000      4.666835000     -0.957367000
O       -4.705289000      3.413204000      1.443543000
C       -0.389533000      6.052162000     -1.196357000
H        0.628187000      6.138788000     -1.579009000
H       -1.099468000      6.444809000     -1.929659000
H       -0.492649000      6.633410000     -0.274296000
C       -5.937322000      4.083591000      1.656804000
H       -6.797041000      3.455283000      1.397173000
H       -5.970052000      4.327836000      2.720291000
H       -5.997032000      5.003490000      1.065286000
150
Complex 10 (G (BS1) = -3199.863297)
Au       2.446396000      0.529455000     -0.259320000
Au      -2.988677000      0.551903000     -0.072563000
O       -4.033089000      2.943996000     -2.914226000
O       -2.223250000      4.938281000     -1.986268000
O       -4.801570000      3.403630000     -0.836270000
O       -0.286040000      4.239249000     -2.914139000
N        5.378369000      0.234175000      0.528686000
N        4.761795000     -1.488277000     -0.592888000
N       -3.452516000     -1.396666000      2.271363000
N       -3.682503000     -2.403307000      0.391767000
C       -3.820593000     -2.698711000      2.564547000
H       -3.945935000     -3.041319000      3.580094000
C        6.123886000     -1.622124000     -0.378286000
H        6.676391000     -2.474966000     -0.741418000
C       -0.268991000      2.103388000     -0.984587000
C       -2.691012000      2.302078000     -1.098267000
C       -3.919902000      2.965430000     -1.555539000
C        5.223916000      1.598181000      2.548981000
C        5.157192000      2.869359000      3.121758000
H        5.057382000      2.966110000      4.199348000
C        5.205641000      4.013585000      2.331946000
H        5.143846000      4.993347000      2.797795000
C        5.328330000      3.910839000      0.953159000
H        5.363115000      4.810990000      0.343921000
C        5.401371000      2.663181000      0.327125000
C        5.346904000      1.529812000      1.151504000
C        5.093245000      0.342467000      3.388600000
H        5.627088000     -0.464675000      2.869334000
C        3.622627000     -0.070928000      3.490966000
H        3.048131000      0.691114000      4.030542000
H        3.520188000     -1.019236000      4.031511000
H        3.161058000     -0.185691000      2.503334000
C        5.556758000      2.579619000     -1.178056000
H        5.519670000      1.523455000     -1.469989000
C        4.281854000     -0.339430000     -0.041608000
C        6.513931000     -0.531205000      0.328135000
H        7.479184000     -0.228513000      0.703396000
C        5.708703000      0.477920000      4.775780000
H        6.746427000      0.823725000      4.735105000
H        5.696402000     -0.487803000      5.290568000
H        5.148332000      1.178301000      5.404364000
C        0.742184000      1.490815000     -0.634341000
C       -1.447671000      2.795842000     -1.376425000
C       -5.220493000      3.557785000     -3.406930000
H       -5.167335000      3.490088000     -4.494232000
H       -5.276950000      4.606556000     -3.097722000
H       -6.114612000      3.041545000     -3.043143000
C        3.960330000     -2.454507000     -1.290168000
C        3.579580000     -2.196477000     -2.617053000
C        2.864704000     -3.198096000     -3.280428000
H        2.562999000     -3.032721000     -4.312502000
C        2.530886000     -4.387555000     -2.646035000
H        1.976328000     -5.152334000     -3.184147000
C        2.887457000     -4.594738000     -1.318939000
H        2.593894000     -5.514412000     -0.816092000
C        3.606871000     -3.631158000     -0.609321000
C       -1.228124000      4.034352000     -2.173783000
C       -2.186259000      6.051610000     -2.873335000
H       -1.221933000      6.564123000     -2.824777000
H       -2.986516000      6.719505000     -2.553041000
H       -2.358801000      5.729401000     -3.905940000
C       -3.366944000     -1.195610000      0.930204000
C       -3.957647000     -3.339007000      1.374352000
H       -4.217986000     -4.358488000      1.135710000
C        3.913236000     -0.908255000     -3.342201000
H        4.371602000     -0.217168000     -2.625221000
C        2.652114000     -0.231687000     -3.876062000
H        2.158710000     -0.842241000     -4.641365000
H        2.898720000      0.731744000     -4.334228000
H        1.927020000     -0.037032000     -3.077848000
C        3.930934000     -3.856686000      0.854352000
H        4.510620000     -3.000577000      1.217707000
C        2.649740000     -3.918481000      1.683831000
H        2.023545000     -3.032412000      1.522822000
H        2.882606000     -3.979870000      2.752458000
H        2.050990000     -4.800222000      1.426666000
C       -3.225730000     -0.352755000      3.232903000
C       -4.272766000      0.538838000      3.505265000
C       -4.021568000      1.553921000      4.432560000
H       -4.812298000      2.262593000      4.669070000
C       -2.780306000      1.674802000      5.042409000
H       -2.604057000      2.475203000      5.756000000
C       -1.757008000      0.784436000      4.736589000
H       -0.784389000      0.904463000      5.206121000
C       -1.953871000     -0.251404000      3.821105000
C       -3.595069000     -2.660162000     -1.019202000
C       -2.336720000     -2.990692000     -1.543372000
C       -2.253430000     -3.207656000     -2.920714000
H       -1.289955000     -3.465052000     -3.357608000
C       -3.372072000     -3.077928000     -3.733809000
H       -3.284962000     -3.240122000     -4.804813000
C       -4.599930000     -2.725219000     -3.185840000
H       -5.463905000     -2.603479000     -3.834849000
C       -4.741323000     -2.506260000     -1.813456000
C        4.922702000     -1.156088000     -4.461054000
H        5.849248000     -1.604246000     -4.085200000
H        5.182924000     -0.216612000     -4.960125000
H        4.514172000     -1.831618000     -5.221714000
C        4.776973000     -5.109873000      1.061639000
H        4.244675000     -6.010282000      0.734783000
H        5.023136000     -5.242347000      2.120228000
H        5.717044000     -5.064515000      0.502230000
C       -5.632651000      0.440226000      2.844204000
H       -5.605370000     -0.378434000      2.115030000
C       -6.712643000      0.104757000      3.871147000
H       -6.498513000     -0.832788000      4.396564000
H       -7.689636000      0.002486000      3.387310000
H       -6.802228000      0.892801000      4.627805000
C       -0.816347000     -1.169180000      3.418652000
H       -1.250724000     -2.112916000      3.062229000
C        0.114871000     -1.510130000      4.576138000
H        0.684449000     -0.637732000      4.913339000
H        0.844788000     -2.263389000      4.262459000
H       -0.428353000     -1.907731000      5.439870000
C       -1.092662000     -3.099714000     -0.685122000
H       -1.356055000     -2.837788000      0.347256000
C       -0.025404000     -2.106628000     -1.142099000
H        0.277466000     -2.288257000     -2.179746000
H        0.877337000     -2.187540000     -0.522057000
H       -0.382900000     -1.071307000     -1.075008000
C       -6.067727000     -2.055213000     -1.236745000
H       -6.009857000     -2.145477000     -0.145122000
C       -6.317960000     -0.581560000     -1.563515000
H       -5.509441000      0.057656000     -1.186197000
H       -7.257833000     -0.237326000     -1.117865000
H       -6.382904000     -0.424955000     -2.646896000
C       -5.970723000      1.717866000      2.080155000
H       -6.058522000      2.577583000      2.754324000
H       -6.929268000      1.612403000      1.560470000
H       -5.209521000      1.962727000      1.330923000
C       -0.032700000     -0.552719000      2.255426000
H       -0.664430000     -0.351965000      1.381729000
H        0.779968000     -1.216548000      1.934098000
H        0.415466000      0.404871000      2.545838000
C       -0.571322000     -4.534173000     -0.674876000
H       -1.323338000     -5.236944000     -0.298495000
H        0.317701000     -4.615425000     -0.040626000
H       -0.286104000     -4.862021000     -1.681010000
C       -7.230457000     -2.922685000     -1.709200000
H       -7.396897000     -2.826424000     -2.787699000
H       -8.158658000     -2.620719000     -1.213669000
H       -7.063944000     -3.983133000     -1.493271000
C        6.916622000      3.128714000     -1.607290000
H        7.011724000      4.191221000     -1.355103000
H        7.048568000      3.034596000     -2.690179000
H        7.743170000      2.599747000     -1.120324000
C        4.421677000      3.291239000     -1.909504000
H        3.440404000      2.901508000     -1.615548000
H        4.525108000      3.160092000     -2.992121000
H        4.425075000      4.368659000     -1.709582000
150
TS3-TRANS VERSION (G (BS1) = -3199.800413)
Au      -2.403088000     -0.309050000     -0.639092000
C       -3.508675000      0.561550000      0.770322000
N       -3.828087000      1.873027000      0.929122000
N       -4.088788000     -0.067756000      1.828641000
C       -0.599975000     -1.584257000     -1.630568000
C       -3.191128000      2.917670000      0.174484000
C       -3.805736000      3.410722000     -0.982544000
C       -5.114223000      2.851582000     -1.499283000
H       -5.543520000      2.214189000     -0.714558000
C       -4.866364000      1.969159000     -2.723292000
H       -4.451411000      2.553330000     -3.552823000
H       -5.801813000      1.514574000     -3.067095000
H       -4.148998000      1.167276000     -2.515740000
C       -6.127142000      3.949452000     -1.808545000
H       -6.319740000      4.587666000     -0.939459000
H       -7.080748000      3.513432000     -2.123065000
H       -5.786012000      4.595931000     -2.624922000
C       -3.120727000      4.401561000     -1.691205000
H       -3.559951000      4.799290000     -2.603129000
C       -1.877436000      4.857243000     -1.269614000
H       -1.357221000      5.617963000     -1.846242000
C       -1.286433000      4.330366000     -0.127428000
H       -0.298333000      4.667697000      0.184401000
C       -1.931676000      3.345658000      0.621722000
C       -1.249131000      2.736893000      1.829480000
H       -1.933577000      2.015905000      2.292027000
C       -0.008425000      1.963269000      1.388861000
H       -0.256517000      1.229788000      0.612294000
H        0.441640000      1.424173000      2.231307000
H        0.753172000      2.636171000      0.978527000
C       -0.919260000      3.783501000      2.888748000
H       -0.228950000      4.540779000      2.501740000
H       -0.437718000      3.316419000      3.756250000
H       -1.818722000      4.300048000      3.241966000
C       -4.591331000      2.062150000      2.070003000
H       -4.932783000      3.041320000      2.367523000
C       -4.761208000      0.840005000      2.633764000
H       -5.297286000      0.527176000      3.516312000
C       -3.982499000     -1.479745000      2.081634000
C       -2.784794000     -1.977424000      2.625648000
C       -2.734100000     -3.346270000      2.898789000
H       -1.826720000     -3.769794000      3.320787000
C       -3.818274000     -4.173227000      2.629185000
H       -3.755577000     -5.235599000      2.851527000
C       -4.970772000     -3.656429000      2.050456000
H       -5.797233000     -4.320387000      1.810408000
C       -5.076595000     -2.295504000      1.752937000
C       -6.279488000     -1.744658000      1.013646000
H       -6.360494000     -0.674274000      1.242912000
C       -6.056222000     -1.875144000     -0.495556000
H       -5.127987000     -1.389622000     -0.819863000
H       -6.883103000     -1.422083000     -1.052972000
H       -5.992706000     -2.928693000     -0.790332000
C       -7.592512000     -2.400551000      1.423696000
H       -7.640106000     -3.449516000      1.112508000
H       -8.434226000     -1.891342000      0.944631000
H       -7.751034000     -2.366134000      2.506581000
C       -1.601604000     -1.076739000      2.925809000
H       -1.632333000     -0.244278000      2.212189000
C       -1.706437000     -0.488168000      4.333131000
H       -2.634656000      0.076919000      4.474965000
H       -0.869826000      0.191374000      4.534170000
H       -1.680928000     -1.277681000      5.093767000
C       -0.258419000     -1.767222000      2.718768000
H       -0.061169000     -2.532345000      3.479517000
H        0.552556000     -1.031342000      2.784175000
H       -0.192405000     -2.236246000      1.730990000
C        0.375515000     -1.126868000     -1.011851000
Au       2.081655000     -0.453862000     -0.232723000
C        3.951189000      0.113851000      0.374770000
N        5.045441000     -0.680005000      0.207730000
N        4.462415000      1.281421000      0.853398000
C        4.969178000     -1.978979000     -0.403482000
C        4.834859000     -3.104309000      0.423102000
C        4.733184000     -2.980792000      1.930712000
H        5.149418000     -2.006437000      2.221100000
C        3.263357000     -2.995238000      2.356616000
H        2.785678000     -3.942585000      2.080366000
H        3.167184000     -2.873566000      3.441565000
H        2.695239000     -2.193571000      1.869290000
C        5.522393000     -4.057342000      2.667506000
H        6.570206000     -4.087022000      2.352491000
H        5.500989000     -3.873267000      3.746282000
H        5.098580000     -5.054385000      2.506648000
C        4.711756000     -4.344535000     -0.207160000
H        4.595950000     -5.241022000      0.396675000
C        4.714940000     -4.446584000     -1.593505000
H        4.608086000     -5.420589000     -2.062823000
C        4.841112000     -3.310190000     -2.382488000
H        4.829724000     -3.399352000     -3.466500000
C        4.968618000     -2.044641000     -1.805235000
C        5.089627000     -0.814519000     -2.684117000
H        5.166715000      0.067132000     -2.035461000
C        3.852321000     -0.621610000     -3.559897000
H        2.935647000     -0.568221000     -2.960746000
H        3.936493000      0.306343000     -4.137843000
H        3.729868000     -1.444340000     -4.273534000
C        6.359680000     -0.869013000     -3.530440000
H        6.341889000     -1.717467000     -4.223728000
H        6.463987000      0.041825000     -4.129489000
H        7.257627000     -0.967949000     -2.910773000
C        6.210766000     -0.023903000      0.558820000
H        7.177536000     -0.496420000      0.481746000
C        5.843545000      1.215791000      0.968041000
H        6.422480000      2.052748000      1.326836000
C        3.706583000      2.469542000      1.143180000
C        3.299293000      3.285748000      0.077260000
C        2.671470000      4.493091000      0.403736000
H        2.359222000      5.160577000     -0.396225000
C        2.440611000      4.847232000      1.725499000
H        1.953850000      5.792138000      1.955218000
C        2.816214000      3.993465000      2.758999000
H        2.605490000      4.273305000      3.787372000
C        3.462459000      2.786176000      2.492326000
C        3.835983000      1.817316000      3.597992000
H        4.788717000      1.345550000      3.321586000
C        2.790567000      0.702617000      3.699618000
H        2.606231000      0.217410000      2.733360000
H        3.107592000     -0.066722000      4.412462000
H        1.835274000      1.109761000      4.053123000
C        4.031177000      2.482572000      4.953147000
H        3.087289000      2.864673000      5.357507000
H        4.414999000      1.757588000      5.676883000
H        4.738118000      3.316983000      4.907322000
C        3.526462000      2.916268000     -1.374223000
H        3.812473000      1.859351000     -1.415449000
C        4.669962000      3.728572000     -1.978880000
H        5.599609000      3.610000000     -1.411586000
H        4.864718000      3.409479000     -3.009011000
H        4.431431000      4.798358000     -2.002709000
C        2.249993000      3.054487000     -2.198253000
H        1.876954000      4.084715000     -2.221734000
H        2.442065000      2.762102000     -3.235633000
H        1.444584000      2.418122000     -1.812869000
C       -1.805703000     -1.835114000     -2.396360000
C       -2.253262000     -0.942436000     -3.348876000
C       -2.583583000     -3.079132000     -2.119479000
C       -1.430698000      0.214564000     -3.573138000
O       -3.522279000     -3.499927000     -2.762574000
O       -1.511048000      1.298056000     -2.989255000
O       -2.095549000     -3.733119000     -1.028213000
O       -0.552999000      0.014404000     -4.602531000
C       -2.751391000     -4.963667000     -0.743954000
H       -2.235380000     -5.386583000      0.118591000
H       -3.809619000     -4.808388000     -0.509413000
H       -2.684131000     -5.648599000     -1.594670000
C        0.321933000      1.107611000     -4.843331000
H        0.942659000      1.311569000     -3.965631000
H        0.954279000      0.810233000     -5.682310000
H       -0.229101000      2.019506000     -5.096086000
150
Complex 10-trans (G (BS1) = -3199.85703)
Au      -3.408401000     -0.151986000     -0.406043000
C       -5.351511000      0.263433000      0.080284000
N       -5.867137000      1.501181000      0.310620000
N       -6.363279000     -0.585314000      0.404011000
C        0.694933000     -1.633053000     -0.806885000
C       -5.046009000      2.676332000      0.217994000
C       -4.925020000      3.318738000     -1.021420000
C       -5.671440000      2.853073000     -2.254153000
H       -6.360463000      2.052451000     -1.956181000
C       -4.698426000      2.268318000     -3.276879000
H       -4.001706000      3.032713000     -3.640205000
H       -5.236426000      1.870455000     -4.144084000
H       -4.099970000      1.457979000     -2.843991000
C       -6.505415000      3.974984000     -2.867081000
H       -7.223637000      4.387403000     -2.150828000
H       -7.066865000      3.609437000     -3.732993000
H       -5.875075000      4.801324000     -3.214696000
C       -4.031899000      4.389787000     -1.102353000
H       -3.906965000      4.903657000     -2.053068000
C       -3.286198000      4.785388000      0.001510000
H       -2.585332000      5.611380000     -0.087112000
C       -3.424053000      4.121792000      1.214776000
H       -2.824267000      4.425941000      2.069683000
C       -4.306937000      3.048763000      1.351416000
C       -4.413840000      2.317955000      2.675213000
H       -5.170878000      1.529717000      2.575834000
C       -3.095240000      1.638694000      3.038109000
H       -2.778436000      0.933517000      2.261220000
H       -3.192622000      1.094312000      3.984414000
H       -2.286719000      2.369187000      3.158239000
C       -4.877671000      3.253907000      3.789032000
H       -4.149621000      4.052481000      3.970562000
H       -4.999706000      2.703819000      4.728229000
H       -5.836020000      3.728100000      3.550560000
C       -7.169775000      1.430154000      0.770283000
H       -7.741647000      2.312835000      1.010904000
C       -7.484202000      0.109584000      0.829764000
H       -8.389686000     -0.397600000      1.125379000
C       -6.226586000     -2.017026000      0.379679000
C       -5.535322000     -2.640160000      1.432119000
C       -5.434795000     -4.033228000      1.386807000
H       -4.910417000     -4.553903000      2.183429000
C       -5.978567000     -4.759077000      0.334971000
H       -5.884356000     -5.841711000      0.320153000
C       -6.620060000     -4.107525000     -0.711557000
H       -7.012916000     -4.683539000     -1.544828000
C       -6.753176000     -2.717862000     -0.716368000
C       -7.344320000     -1.985653000     -1.904035000
H       -7.788729000     -1.048992000     -1.540956000
C       -6.226662000     -1.616257000     -2.883690000
H       -5.432892000     -1.033070000     -2.402413000
H       -6.621016000     -1.032150000     -3.722895000
H       -5.757256000     -2.519137000     -3.290375000
C       -8.442600000     -2.767577000     -2.613325000
H       -8.049968000     -3.660636000     -3.111528000
H       -8.905396000     -2.150086000     -3.389206000
H       -9.231059000     -3.089396000     -1.925172000
C       -4.926090000     -1.855707000      2.578920000
H       -4.743382000     -0.833749000      2.225980000
C       -5.891043000     -1.767063000      3.760871000
H       -6.849602000     -1.320972000      3.473226000
H       -5.466315000     -1.152049000      4.562735000
H       -6.100319000     -2.759447000      4.177657000
C       -3.572031000     -2.409189000      3.008358000
H       -3.654332000     -3.395916000      3.477293000
H       -3.106840000     -1.744935000      3.743168000
H       -2.887857000     -2.492470000      2.157314000
C        1.905963000     -1.401130000     -0.752770000
Au       3.692878000     -0.613156000     -0.377859000
C        5.405424000      0.336727000      0.198875000
N        6.670578000     -0.147882000      0.328113000
N        5.481684000      1.597895000      0.709312000
C        7.029156000     -1.497305000     -0.011986000
C        6.722502000     -2.514412000      0.903450000
C        6.100628000     -2.242763000      2.258298000
H        5.916612000     -1.165384000      2.345355000
C        4.754309000     -2.944413000      2.415521000
H        4.855973000     -4.032863000      2.338713000
H        4.321305000     -2.724142000      3.397282000
H        4.039070000     -2.619964000      1.650235000
C        7.061502000     -2.635101000      3.379354000
H        8.019689000     -2.110654000      3.295251000
H        6.632269000     -2.396225000      4.358006000
H        7.272180000     -3.710634000      3.366834000
C        7.041415000     -3.823935000      0.532657000
H        6.812220000     -4.637738000      1.217221000
C        7.642177000     -4.095517000     -0.688723000
H        7.880594000     -5.120782000     -0.958245000
C        7.941321000     -3.062194000     -1.571109000
H        8.410258000     -3.289357000     -2.524671000
C        7.636767000     -1.736999000     -1.255325000
C        7.885955000     -0.608387000     -2.236536000
H        8.055791000      0.308616000     -1.655958000
C        6.646758000     -0.376304000     -3.104610000
H        5.747426000     -0.204193000     -2.502337000
H        6.787892000      0.489910000     -3.760888000
H        6.449733000     -1.248841000     -3.737749000
C        9.115454000     -0.828648000     -3.109171000
H        8.971630000     -1.652294000     -3.816746000
H        9.321271000      0.066046000     -3.704728000
H       10.008748000     -1.050060000     -2.516396000
C        7.512172000      0.781797000      0.915553000
H        8.552871000      0.568833000      1.104560000
C        6.760538000      1.886704000      1.153363000
H        7.010674000      2.842803000      1.587106000
C        4.366792000      2.501404000      0.779869000
C        4.275915000      3.519495000     -0.181944000
C        3.210200000      4.416197000     -0.069927000
H        3.110250000      5.214290000     -0.803113000
C        2.268502000      4.284661000      0.943312000
H        1.439190000      4.984421000      1.008429000
C        2.363067000      3.240431000      1.854089000
H        1.597488000      3.122688000      2.616672000
C        3.413375000      2.321305000      1.796039000
C        3.501586000      1.212409000      2.826658000
H        4.279813000      0.507696000      2.508813000
C        2.199200000      0.423628000      2.934020000
H        1.908485000     -0.014318000      1.973480000
H        2.311685000     -0.390828000      3.657462000
H        1.365918000      1.048917000      3.272715000
C        3.916298000      1.778966000      4.184371000
H        3.167506000      2.484222000      4.563658000
H        4.018965000      0.977106000      4.923449000
H        4.872596000      2.311435000      4.132033000
C        5.236834000      3.632057000     -1.349309000
H        6.034419000      2.890359000     -1.220930000
C        5.893072000      5.008111000     -1.414262000
H        6.429054000      5.247173000     -0.489485000
H        6.610150000      5.057024000     -2.240043000
H        5.152953000      5.799254000     -1.578812000
C        4.519730000      3.302155000     -2.658465000
H        3.715469000      4.019538000     -2.859731000
H        5.216396000      3.340991000     -3.502837000
H        4.075422000      2.301185000     -2.635071000
C       -0.728024000     -1.623044000     -0.829959000
C       -1.406466000     -0.442238000     -0.686593000
C       -1.492785000     -2.886426000     -0.958197000
C       -0.579147000      0.767184000     -0.513560000
O       -2.689624000     -2.989657000     -1.166105000
O       -0.364428000      1.321097000      0.551643000
O       -0.690837000     -3.969216000     -0.817338000
O       -0.106291000      1.231557000     -1.695120000
C       -1.370592000     -5.217500000     -0.913369000
H       -0.611452000     -5.984768000     -0.760403000
H       -2.151270000     -5.300320000     -0.150034000
H       -1.836238000     -5.339462000     -1.895663000
C        0.811056000      2.317284000     -1.572613000
H        1.704581000      2.000241000     -1.020841000
H        1.079915000      2.598523000     -2.591816000
H        0.353864000      3.165059000     -1.053171000
