73 System IIa C -3.074008142844 -2.423085402226 -2.053577245762 C -5.299842142844 -1.637737402226 -1.290894245762 C -3.805337142844 -1.292405402226 -1.306568245762 C -3.645775142844 0.036437597774 -2.069944245762 H -5.655834142844 -1.721402402226 -2.321293245762 H -5.891427142844 -0.861881402226 -0.795016245762 H -5.491317142844 -2.594471402226 -0.795790245762 H -3.488702142844 -2.522353402226 -3.062022245762 H -3.215154142844 -3.376598402226 -1.535328245762 H -2.004354142844 -2.225980402226 -2.139127245762 H -4.116573142844 -0.048683402226 -3.054785245762 H -2.595918142844 0.295051597774 -2.216604245762 H -4.140585142844 0.850386597774 -1.529427245762 C -3.250826142844 -1.151464402226 0.117609754238 H -5.081090142844 -1.642592402226 1.121207754238 C -4.042833142844 -1.361573402226 1.246848754238 C -1.906732142844 -0.796785402226 0.351021754238 C -3.550377142844 -1.221204402226 2.544618754238 C -1.404488142844 -0.617410402226 1.643306754238 H -4.202674142844 -1.397935402226 3.392435754238 C -2.235379142844 -0.837354402226 2.741981754238 H -1.842595142844 -0.697541402226 3.745968754238 O -1.086447142844 -0.608665402226 -0.732368245762 B 0.296365857156 -0.433744402226 -0.592123245762 N 0.543964857156 0.549868597774 0.666167754238 H 0.690069857156 -1.014015402226 2.044758754238 C 0.017658857156 -0.171028402226 1.866271754238 H 1.545735857156 0.741469597774 0.777739754238 H 0.087692857156 0.471648597774 2.739749754238 H -2.271635142844 2.657373597774 1.847143754238 H -1.347049142844 1.731025597774 3.024905754238 C -1.364616142844 2.662691597774 2.460987754238 H -1.167506142844 4.418862597774 0.376862754238 C -0.120249142844 2.913903597774 1.590854754238 C -0.284755142844 4.337279597774 1.018840754238 H -1.457280142844 3.476289597774 3.185767754238 H 0.594022857156 4.662171597774 0.455812754238 H 1.354655857156 1.958796597774 2.940312754238 C 1.169770857156 2.905075597774 2.424169754238 H -0.420436142844 5.031561597774 1.851540754238 H 2.038904857156 3.129822597774 1.801723754238 H 1.093625857156 3.675773597774 3.196139754238 H -1.069153142844 1.726699597774 0.021524754238 C -0.057805142844 1.912632597774 0.382158754238 O 2.095021857156 2.298425597774 -0.503606245762 C 0.888327857156 2.476992597774 -0.692064245762 N 0.399078857156 3.142247597774 -1.753486245762 C 1.337308857156 3.734275597774 -2.702098245762 C -1.000979142844 3.312676597774 -2.113239245762 H -1.164958142844 2.905480597774 -3.115997245762 H -1.254692142844 4.377191597774 -2.123991245762 H -1.670458142844 2.803168597774 -1.424980245762 H 2.349330857156 3.626226597774 -2.320741245762 H 1.099604857156 4.793648597774 -2.832088245762 H 1.251235857156 3.232498597774 -3.671341245762 C 3.128023857156 -1.493377402226 -2.429413245762 C 2.502911857156 -0.374649402226 -2.027619245762 C 1.024453857156 -0.215345402226 -2.019356245762 H 0.557674857156 -0.971089402226 -2.662480245762 H 0.729949857156 0.761211597774 -2.417535245762 H 4.208633857156 -1.585859402226 -2.391586245762 H 2.574449857156 -2.314835402226 -2.880588245762 H 3.086309857156 0.457323597774 -1.637541245762 C 3.123266857156 -1.846216402226 0.747975754238 F 4.302761857156 -2.278205402226 0.338039754238 F 3.117238857156 -0.513177402226 0.739788754238 F 2.927325857156 -2.250731402226 2.010097754238 O 0.882266857156 -1.887065402226 -0.163433245762 C 1.974058857156 -2.464877402226 -0.070483245762 C 2.110987857156 -3.902278402226 -0.413220245762 H 1.304429857156 -4.202784402226 -1.079739245762 H 2.038384857156 -4.470350402226 0.523828754238 H 3.090269857156 -4.107493402226 -0.846995245762 -------------------------------------------------------- 73 System IIIa C -3.568873941330 0.059605246780 1.999339163295 C -2.507718941330 0.844110246780 1.748834163295 C -1.103857941330 0.351989246780 1.747170163295 H -1.038109941330 -0.568596753220 2.339187163295 H -0.431367941330 1.072788246780 2.223318163295 H -4.581950941330 0.447038246780 1.969608163295 H -3.443521941330 -0.979449753220 2.297723163295 H -2.669683941330 1.889325246780 1.485825163295 C 1.446379058670 -3.486747753220 1.998954163295 C 3.914353058670 -3.608422753220 1.787925163295 C 2.698645058670 -2.697760753220 1.575589163295 C 2.882055058670 -1.464961753220 2.481663163295 H 3.965323058670 -3.892320753220 2.842643163295 H 4.851350058670 -3.103814753220 1.532516163295 H 3.841408058670 -4.528934753220 1.200820163295 H 1.556729058670 -3.815309753220 3.037537163295 H 1.327149058670 -4.376754753220 1.373563163295 H 0.540621058670 -2.883945753220 1.922683163295 H 3.024315058670 -1.790187753220 3.517328163295 H 2.013626058670 -0.804147753220 2.448523163295 H 3.770085058670 -0.898368753220 2.181801163295 C 2.582487058670 -2.254103753220 0.111816163295 H 4.282019058670 -3.354020753220 -0.596080836705 C 3.482374058670 -2.676252753220 -0.867982836705 C 1.560624058670 -1.382598753220 -0.314044836705 C 3.399136058670 -2.254686753220 -2.195567836705 C 1.488605058670 -0.916244753220 -1.626168836705 H 4.118665058670 -2.614096753220 -2.922536836705 C 2.410106058670 -1.362706753220 -2.572840836705 H 2.347610058670 -1.004312753220 -3.597121836705 O 0.632032058670 -0.970094753220 0.601791163295 B -0.453208941330 -0.122604753220 0.331849163295 N -0.012896941330 0.904974246780 -0.843849836705 H -0.493708941330 -0.461507753220 -2.339937836705 C 0.410914058670 0.058148246780 -2.008173836705 H -0.806956941330 1.486936246780 -1.134377836705 H 0.727570058670 0.696582246780 -2.829152836705 H 3.442722058670 1.438000246780 -1.262085836705 H 2.560718058670 1.326475246780 -2.785921836705 C 2.878754058670 2.013742246780 -2.003542836705 H 3.111852058670 3.620173246780 0.146757163295 C 1.728818058670 2.802720246780 -1.349160836705 C 2.396679058670 3.975161246780 -0.602068836705 H 3.567041058670 2.723934246780 -2.469723836705 H 1.674374058670 4.637837246780 -0.119404836705 H 0.265088058670 2.638655246780 -2.997534836705 C 0.789416058670 3.397295246780 -2.408076836705 H 2.955564058670 4.570722246780 -1.327688836705 H 0.038777058670 4.049614246780 -1.956068836705 H 1.380463058670 3.991351246780 -3.110400836705 H 1.671206058670 1.390496246780 0.318135163295 C 0.952629058670 1.936363246780 -0.296256836705 O -1.112790941330 3.052765246780 0.040886163295 C 0.006246058670 2.839775246780 0.527865163295 N 0.399823058670 3.372675246780 1.693461163295 C -0.511093941330 4.279803246780 2.388046163295 C 1.627782058670 3.077442246780 2.419938163295 H 1.368690058670 2.804188246780 3.446950163295 H 2.273187058670 3.960363246780 2.444841163295 H 2.177715058670 2.250390246780 1.976673163295 H -1.256171941330 4.650957246780 1.688803163295 H 0.064678058670 5.113597246780 2.795472163295 H -1.008591941330 3.756103246780 3.211111163295 O -1.635585941330 -0.978336753220 -0.299535836705 C -2.797389941330 -0.650408753220 -0.596944836705 C -3.800282941330 -1.818667753220 -0.592424836705 F -5.004031941330 -1.405104753220 -0.206852836705 F -3.886929941330 -2.262166753220 -1.849026836705 F -3.393562941330 -2.796640753220 0.195621163295 C -3.245994941330 0.619305246780 -1.230413836705 H -3.097413941330 0.511331246780 -2.314193836705 H -2.708919941330 1.494870246780 -0.862720836705 H -4.313227941330 0.756067246780 -1.055256836705 -------------------------------------------------------- 73 System IVa C 2.993596673588 -1.715774582724 2.181688258529 C 1.830286673588 -1.051717582724 2.263047258529 C 0.584441673588 -1.446204582724 1.546695258529 H -0.282353326412 -1.273668582724 2.195872258529 H 0.606008673588 -2.504182582724 1.271010258529 H 1.793630673588 -0.130046582724 2.844585258529 H 3.066232673588 -2.658443582724 1.643321258529 H 3.883517673588 -1.369334582724 2.697235258529 O 0.161556673588 0.840966417276 0.570433258529 B 0.388941673588 -0.509844582724 0.237963258529 N -0.654866326412 -0.951535582724 -0.907719741471 H 0.616381673588 -0.367789582724 -2.456446741471 C -0.366916326412 -0.071139582724 -2.084774741471 H -0.486947326412 -1.936335582724 -1.157388741471 H -1.079769326412 -0.279187582724 -2.878067741471 C -0.417033326412 3.103719417276 0.059385258529 H -0.859607326412 5.072312417276 -0.671382741471 C -0.712396326412 4.033621417276 -0.939256741471 C -0.214403326412 1.774812417276 -0.365451741471 C -0.843549326412 3.676321417276 -2.280861741471 C -0.419387326412 1.383481417276 -1.691785741471 H -1.070556326412 4.433959417276 -3.022365741471 C -0.726210326412 2.347905417276 -2.651685741471 H -0.883248326412 2.045230417276 -3.683894741471 C 0.971709673588 3.217748417276 2.192267258529 C -0.709381326412 4.979954417276 1.737767258529 C -0.397995326412 3.489712417276 1.546550258529 C -1.482640326412 2.684890417276 2.288570258529 H -1.518054326412 2.992070417276 3.338720258529 H -1.273747326412 1.612453417276 2.255333258529 H -2.467919326412 2.868754417276 1.847199258529 H 0.982813673588 3.621784417276 3.209276258529 H 1.774228673588 3.705816417276 1.629332258529 H 1.176001673588 2.147772417276 2.258798258529 H -0.714804326412 5.208470417276 2.806852258529 H -1.691799326412 5.245212417276 1.336420258529 H 0.045198673588 5.616804417276 1.265737258529 H -3.554115326412 1.120654417276 -1.356755741471 H -2.799339326412 0.580127417276 -2.857653741471 C -3.518928326412 0.304977417276 -2.087260741471 H -4.751784326412 -0.645579582724 0.138913258529 C -3.237289326412 -1.045833582724 -1.401659741471 C -4.521760326412 -1.398112582724 -0.622479741471 H -4.496254326412 0.250753417276 -2.574613741471 H -4.465387326412 -2.379242582724 -0.144710741471 H -2.112885326412 -1.993380582724 -3.051774741471 C -2.999906326412 -2.157325582724 -2.433118741471 H -5.358337326412 -1.419882582724 -1.324830741471 H -2.896588326412 -3.130664582724 -1.949132741471 H -3.857675326412 -2.197104582724 -3.110247741471 H -2.167941326412 -0.000196582724 0.184642258529 C -2.068702326412 -0.939797582724 -0.360558741471 O -1.539375326412 -3.196799582724 0.099042258529 C -2.078649326412 -2.184476582724 0.550552258529 N -2.665857326412 -2.144703582724 1.760444258529 C -2.678962326412 -3.362505582724 2.565077258529 C -3.239213326412 -0.982866582724 2.421631258529 H -2.723391326412 -0.815548582724 3.373478258529 H -4.299299326412 -1.160377582724 2.627963258529 H -3.152993326412 -0.079877582724 1.822443258529 H -2.413343326412 -4.209790582724 1.938501258529 H -3.678325326412 -3.504982582724 2.983164258529 H -1.959815326412 -3.275885582724 3.386660258529 O 1.747434673588 -0.777679582724 -0.541199741471 C 2.883008673588 -0.354197582724 -0.262463741471 C 3.237112673588 0.998339417276 0.221012258529 H 3.517870673588 1.573553417276 -0.673471741471 H 4.110391673588 0.949429417276 0.871679258529 H 2.397028673588 1.485677417276 0.707908258529 C 4.027851673588 -1.244838582724 -0.777943741471 F 3.632341673588 -2.498532582724 -0.924062741471 F 4.407550673588 -0.761938582724 -1.963265741471 F 5.064051673588 -1.198662582724 0.052741258529 -------------------------------------------------------- 73 System Va C 2.138932352931 -3.315025338678 1.461328035272 C 1.415911352931 -2.212991338678 1.714939035272 C 0.060344352931 -1.959769338678 1.154150035272 H -0.585634647069 -1.539346338678 1.934705035272 H -0.392428647069 -2.887278338678 0.791934035272 H 1.853898352931 -1.422979338678 2.323928035272 H 1.714599352931 -4.144862338678 0.899166035272 H 3.135617352931 -3.447886338678 1.868072035272 O 0.499108352931 0.420493661322 0.454863035272 B 0.144718352931 -0.847071338678 -0.017789964728 N -1.083240647069 -0.689357338678 -1.053245964728 H 0.183041352931 -0.405427338678 -2.684969964728 C -0.578535647069 0.179732661322 -2.164388964728 H -1.337529647069 -1.615437338678 -1.423798964728 H -1.380143647069 0.362345661322 -2.875313964728 C 2.269084352931 2.088650661322 2.210062035272 C 1.296553352931 4.370177661322 2.193313035272 C 1.040194352931 2.912267661322 1.790825035272 C -0.196907647069 2.423353661322 2.569811035272 H -0.037449647069 2.564249661322 3.643770035272 H -0.383491647069 1.360996661322 2.390847035272 H -1.085503647069 2.995439661322 2.280513035272 H 2.496737352931 2.288417661322 3.262074035272 H 3.145099352931 2.362842661322 1.614504035272 H 2.090767352931 1.020577661322 2.093469035272 H 1.459070352931 4.416310661322 3.273461035272 H 0.445017352931 5.015182661322 1.956263035272 H 2.188718352931 4.774833661322 1.705619035272 C 0.761071352931 2.791145661322 0.286046035272 H 1.026204352931 4.873801661322 -0.155899964728 C 0.752506352931 3.905254661322 -0.555449964728 C 0.421835352931 1.558784661322 -0.308273964728 C 0.387961352931 3.827393661322 -1.899624964728 C -0.035110647069 1.477582661322 -1.625533964728 H 0.401088352931 4.719204661322 -2.515926964728 C -0.036037647069 2.619751661322 -2.426083964728 H -0.384139647069 2.554005661322 -3.453849964728 H -2.863435647069 2.375473661322 -0.874172964728 H -2.605086647069 1.812636661322 -2.526122964728 C -3.273566647069 1.742907661322 -1.669000964728 H -4.578630647069 1.056488661322 0.596756035272 C -3.520896647069 0.304705661322 -1.173933964728 C -4.754461647069 0.385866661322 -0.250538964728 H -4.229715647069 2.173132661322 -1.979687964728 H -5.064076647069 -0.591477338678 0.128124035272 H -3.056002647069 -0.752200338678 -3.059436964728 C -3.871439647069 -0.629558338678 -2.340167964728 H -5.588884647069 0.796858661322 -0.823638964728 H -4.154951647069 -1.621317338678 -1.982394964728 H -4.717627647069 -0.204575338678 -2.887389964728 H -1.997994647069 0.557355661322 0.364261035272 C -2.326026647069 -0.234167338678 -0.311832964728 O -2.699544647069 -2.567649338678 -0.233179964728 C -2.758553647069 -1.522698338678 0.419764035272 N -3.183866647069 -1.479907338678 1.695165035272 C -3.633930647069 -2.718709338678 2.321861035272 C -3.213768647069 -0.322419338678 2.576467035272 H -2.656128647069 -0.555606338678 3.489433035272 H -4.247323647069 -0.088431338678 2.850361035272 H -2.767797647069 0.558046661322 2.120516035272 H -3.713586647069 -3.495394338678 1.565950035272 H -4.607363647069 -2.551959338678 2.790462035272 H -2.918866647069 -3.026050338678 3.092084035272 O 1.186714352931 -1.558411338678 -1.037464964728 C 2.353811352931 -1.976062338678 -0.988366964728 C 3.500216352931 -1.101975338678 -0.446686964728 F 4.036152352931 -0.514374338678 -1.523049964728 F 3.096501352931 -0.168298338678 0.393452035272 F 4.432878352931 -1.849726338678 0.131797035272 C 2.761451352931 -3.172540338678 -1.767929964728 H 1.903400352931 -3.820992338678 -1.937825964728 H 3.571946352931 -3.702985338678 -1.267578964728 H 3.144410352931 -2.817918338678 -2.733697964728 -------------------------------------------------------- 80 System IIb C -0.477264970821 3.739786781377 -1.777527625531 C 1.195779029179 5.467983781377 -1.175267625531 C -2.333712970821 -2.016273218623 -1.984631625531 C 0.931447029179 3.956806781377 -1.193312625531 C 1.988115029179 3.312025781377 -2.110083625531 C -0.993849970821 -2.071253218623 -1.806155625531 C 1.024949029179 3.356417781377 0.215521374469 C -0.144045970821 -0.873605218623 -1.902808625531 H 1.470952029179 5.201034781377 1.214611374469 O 0.520288029179 1.181391781377 -0.631439625531 C 1.315447029179 4.136059781377 1.335788374469 C 0.824585029179 1.978763781377 0.440345374469 B 0.076881029179 -0.148220218623 -0.454290625531 C 1.418422029179 3.595242781377 2.617709374469 C 0.950593029179 1.415750781377 1.714474374469 H 2.675990029179 0.084375781377 -0.284494625531 H 1.646865029179 4.238600781377 3.459997374469 N 1.042956029179 -0.825091218623 0.665480374469 H -0.250696970821 -0.310553218623 2.213396374469 C 1.246300029179 2.234803781377 2.803767374469 C 0.774839029179 -0.065399218623 1.925262374469 H 0.789169029179 -1.810261218623 0.799057374469 C 2.471733029179 -0.885493218623 0.170342374469 O 1.724754029179 -3.016244218623 -0.544410625531 C 2.410909029179 -2.037057218623 -0.853420625531 H 4.037845029179 0.940301781377 1.444848374469 H 1.347016029179 1.793798781377 3.792185374469 N 3.088597029179 -1.965203218623 -2.013282625531 H 3.192053029179 0.293765781377 2.850529374469 H 1.421214029179 -0.427423218623 2.720426374469 C 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-2.360278625531 H -2.964455970821 -2.889397218623 -1.857595625531 H -2.794805970821 -1.130156218623 -2.411458625531 H -0.525013970821 -2.993983218623 -1.465741625531 H 1.129713029179 5.854025781377 -2.196217625531 H 2.195292029179 5.701274781377 -0.795621625531 H 0.458516029179 6.002672781377 -0.568482625531 H -0.550884970821 4.234674781377 -2.751308625531 H -1.235835970821 4.174746781377 -1.118258625531 H -0.694470970821 2.679217781377 -1.915000625531 H 1.942745029179 3.770935781377 -3.103206625531 H 1.823496029179 2.238697781377 -2.220987625531 H 2.992974029179 3.476622781377 -1.707441625531 C -2.383396970821 -0.823098218623 0.184638374469 C -3.677552970821 -0.180991218623 -0.028666625531 C -3.671231970821 1.114287781377 -0.575366625531 C -4.867653970821 1.775687781377 -0.795385625531 C -4.893793970821 -0.803228218623 0.298251374469 C -6.085424970821 -0.125759218623 0.081071374469 C -6.074944970821 1.155409781377 -0.467912625531 H -4.919961970821 -1.799198218623 0.722443374469 H -2.722354970821 1.585305781377 -0.812569625531 H -4.863885970821 2.774635781377 -1.216716625531 H -7.025577970821 -0.599674218623 0.339045374469 H -7.012014970821 1.674764781377 -0.638955625531 C -2.303857970821 -2.116335218623 1.019852374469 F -3.107306970821 -3.084811218623 0.599888374469 F -1.056692970821 -2.597894218623 1.044851374469 F -2.640813970821 -1.794557218623 2.271531374469 O -1.342071970821 -0.099463218623 0.147647374469 -------------------------------------------------------- 80 System IIIb C -2.339370441412 -1.755044286488 2.459230451384 C -1.636587441412 -0.626908286488 2.238043451384 C -0.199581441412 -0.635698286488 1.886634451384 H 0.244798558588 -1.597356286488 2.168241451384 H 0.351674558588 0.135620713512 2.434133451384 H -3.390716441412 -1.731819286488 2.727161451384 H -1.853607441412 -2.727214286488 2.467220451384 H -2.141524441412 0.337223713512 2.266565451384 O 1.484425558588 -1.093927286488 0.158681451384 B 0.200849558588 -0.538791286488 0.307601451384 N 0.098038558588 0.820352713512 -0.570607548616 H 0.020164558588 -0.410480286488 -2.257031548616 C 0.623501558588 0.441300713512 -1.932623548616 H -0.895272441412 1.082256713512 -0.638901548616 H 0.462864558588 1.254017713512 -2.637318548616 H 2.857508558588 3.077008713512 -1.309273548616 H 1.754598558588 2.732633713512 -2.645268548616 C 1.912139558588 3.370103713512 -1.776818548616 H 1.905694558588 4.403994713512 0.767733451384 C 0.750444558588 3.341776713512 -0.768828548616 C 0.983578558588 4.526872713512 0.190050451384 H 2.025023558588 4.390776713512 -2.152293548616 H 0.151074558588 4.673491713512 0.882659451384 H -0.811486441412 2.803492713512 -2.231323548616 C -0.590544441412 3.569793713512 -1.480916548616 H 1.085983558588 5.439083713512 -0.402420548616 H -1.419868441412 3.599612713512 -0.770493548616 H -0.550664441412 4.526715713512 -2.008767548616 C 3.432825558588 -3.262015286488 0.810823451384 C 5.686264558588 -2.231615286488 0.703974451384 C 4.184011558588 -1.922192286488 0.710215451384 C 3.893520558588 -1.052147286488 1.948584451384 H 5.944834558588 -2.761508286488 1.624799451384 H 6.290109558588 -1.319767286488 0.662854451384 H 5.964307558588 -2.873133286488 -0.137740548616 H 3.770635558588 -3.803751286488 1.700337451384 H 3.645755558588 -3.883762286488 -0.064168548616 H 2.353883558588 -3.120535286488 0.882129451384 H 4.205226558588 -1.582713286488 2.854117451384 H 2.830229558588 -0.817819286488 2.038469451384 H 4.457161558588 -0.114354286488 1.895648451384 C 3.765376558588 -1.160943286488 -0.552714548616 H 5.707718558588 -1.128174286488 -1.461727548616 C 4.674043558588 -0.818936286488 -1.557087548616 C 2.437086558588 -0.742904286488 -0.753285548616 C 4.306511558588 -0.088630286488 -2.687324548616 C 2.063855558588 0.032982713512 -1.849562548616 H 5.046925558588 0.142580713512 -3.444837548616 C 2.999971558588 0.352820713512 -2.829109548616 H 2.702047558588 0.936688713512 -3.695303548616 H 1.768149558588 1.729015713512 0.316689451384 C 0.742305558588 2.020339713512 0.085548451384 O -1.354787441412 2.164809713512 1.159737451384 C -0.134481441412 2.254366713512 1.326035451384 N 0.416806558588 2.585052713512 2.507212451384 C -0.480889441412 2.856605713512 3.626198451384 C 1.832406558588 2.572456713512 2.849084451384 H 1.998209558588 1.876250713512 3.677961451384 H 2.147043558588 3.571717713512 3.164238451384 H 2.454042558588 2.259983713512 2.013770451384 H -1.439164441412 3.204067713512 3.246357451384 H -0.031427441412 3.624023713512 4.259094451384 H -0.634924441412 1.949678713512 4.222475451384 O -0.881567441412 -1.514975286488 -0.349913548616 C -2.132165441412 -1.537717286488 -0.224020548616 C -2.723532441412 -2.959936286488 -0.244048548616 F -2.896422441412 -3.282807286488 -1.527818548616 F -1.898265441412 -3.836115286488 0.308585451384 F -3.903640441412 -3.016510286488 0.366283451384 C -3.028561441412 -0.411675286488 -0.560841548616 C -2.769704441412 0.274231713512 -1.757933548616 C -3.606166441412 1.306679713512 -2.166075548616 C -4.163879441412 -0.086310286488 0.191557451384 C -4.984581441412 0.955290713512 -0.216104548616 C -4.703665441412 1.659425713512 -1.386398548616 H -4.382924441412 -0.625298286488 1.104577451384 H -1.956622441412 -0.042968286488 -2.401862548616 H -3.405950441412 1.823122713512 -3.098444548616 H -5.847784441412 1.220587713512 0.383612451384 H -5.350169441412 2.472639713512 -1.697564548616 -------------------------------------------------------- 80 System IVb C 1.893098444876 2.534036767426 1.991031333140 C 0.693098444876 4.703430767426 2.029443333140 C 0.549722444876 3.216726767426 1.679186333140 C -0.561877555124 2.640040767426 2.578490333140 H -0.326846555124 2.845767767426 3.627692333140 H -0.665591555124 1.559513767426 2.457240333140 H -1.522373555124 3.114470767426 2.349486333140 H 2.105804444876 2.616994767426 3.062258333140 H 2.704837444876 3.025391767426 1.446755333140 H 1.889614444876 1.476529767426 1.717152333140 H 0.944277444876 4.796987767426 3.089659333140 H -0.237244555124 5.253341767426 1.856207333140 H 1.493703444876 5.181699767426 1.457261333140 C 0.170400444876 3.025144767426 0.204254333140 H 0.275104444876 5.098502767426 -0.337370666860 C 0.053874444876 4.096307767426 -0.683495666860 C -0.117125555124 1.749414767426 -0.318879666860 C -0.348552555124 3.930139767426 -2.009306666860 C -0.591031555124 1.570433767426 -1.621172666860 H -0.417481555124 4.790902767426 -2.664895666860 C -0.693397555124 2.670560767426 -2.471841666860 H -1.050266555124 2.532079767426 -3.489091666860 O 0.071211444876 0.658912767426 0.484043333140 B -0.274573555124 -0.660457232574 0.131214333140 N -1.476456555124 -0.637898232574 -0.941653666860 H -0.136226555124 -0.360330232574 -2.510371666860 C -0.981976555124 0.192168767426 -2.088835666860 H -1.650233555124 -1.603155232574 -1.255441666860 H -1.743496555124 0.245062767426 -2.863166666860 H -3.585523555124 2.259034767426 -1.127600666860 H -3.135463555124 1.578924767426 -2.692429666860 C -3.857288555124 1.510764767426 -1.879961666860 H -5.212305555124 0.866293767426 0.390467333140 C -3.976599555124 0.106360767426 -1.259248666860 C -5.267670555124 0.126159767426 -0.414396666860 H -4.828453555124 1.791668767426 -2.296523666860 H -5.501933555124 -0.849923232574 0.017296333140 H -3.285835555124 -1.043513232574 -3.015406666860 C -4.146677555124 -0.965417232574 -2.344828666860 H -6.100568555124 0.409028767426 -1.062311666860 H -4.321768555124 -1.949203232574 -1.904966666860 H -5.009371555124 -0.703922232574 -2.963807666860 H -2.546566555124 0.675502767426 0.293327333140 C -2.779868555124 -0.214612232574 -0.293673666860 O -2.980814555124 -2.545341232574 0.036795333140 C -3.144164555124 -1.443408232574 0.564138333140 N -3.634478555124 -1.290192232574 1.808422333140 C -4.012185555124 -2.482386232574 2.560044333140 C -3.767133555124 -0.047665232574 2.552977333140 H -3.200835555124 -0.124323232574 3.487422333140 H -4.819149555124 0.128631767426 2.798097333140 H -3.393710555124 0.809263767426 1.998169333140 H -4.020206555124 -3.340347232574 1.893141333140 H -5.005084555124 -2.335255232574 2.992749333140 H -3.294976555124 -2.654436232574 3.369659333140 C 1.793849444876 -2.631079232574 2.067859333140 C 0.937640444876 -1.594710232574 2.112846333140 C -0.393468555124 -1.588935232574 1.462106333140 H -1.122031555124 -1.110162232574 2.126638333140 H -0.733533555124 -2.600342232574 1.225436333140 H 1.256888444876 -0.665170232574 2.585639333140 H 1.494859444876 -3.588113232574 1.649058333140 H 2.769327444876 -2.580722232574 2.540521333140 C 2.631016444876 -2.926922232574 -0.794008666860 F 3.664659444876 -3.272829232574 -0.031784666860 F 1.711299444876 -3.880674232574 -0.739215666860 F 3.055262444876 -2.813568232574 -2.054301666860 O 0.818577444876 -1.449621232574 -0.692013666860 C 2.039502444876 -1.559560232574 -0.398210666860 C 2.945384444876 -0.425872232574 -0.219151666860 C 2.706330444876 0.690136767426 -1.034756666860 C 3.592641444876 1.757711767426 -1.028928666860 C 4.084866444876 -0.469052232574 0.599606333140 C 4.950672444876 0.613744767426 0.616285333140 C 4.710521444876 1.721661767426 -0.199645666860 H 4.272269444876 -1.328282232574 1.232081333140 H 1.851975444876 0.699431767426 -1.701468666860 H 3.403410444876 2.613845767426 -1.667215666860 H 5.820892444876 0.594349767426 1.262438333140 H 5.400860444876 2.558616767426 -0.186885666860 -------------------------------------------------------- 80 System Vb C -0.969989143427 3.600311713911 1.680953700632 C -3.158297143427 4.500899713911 0.941127700632 C -2.291468143427 3.235902713911 0.984408700632 C -3.043785143427 2.183366713911 1.821351700632 H -3.254139143427 2.584294713911 2.818377700632 H -2.452133143427 1.271870713911 1.937986700632 H -3.999759143427 1.929459713911 1.350192700632 H -1.185709143427 4.081868713911 2.640299700632 H -0.389007143427 4.299379713911 1.071711700632 H -0.361977143427 2.715745713911 1.866155700632 H -3.329387143427 4.848807713911 1.963520700632 H -4.134939143427 4.311930713911 0.485442700632 H -2.666835143427 5.310477713911 0.392790700632 C -2.047815143427 2.676211713911 -0.424690299368 H -3.136757143427 4.208671713911 -1.458181299368 C -2.586621143427 3.281639713911 -1.561233299368 C -1.320768143427 1.485969713911 -0.634482299368 C -2.457196143427 2.732802713911 -2.837065299368 C -1.248949143427 0.881621713911 -1.892717299368 H -2.890212143427 3.241042713911 -3.691259299368 C -1.812050143427 1.518839713911 -2.997980299368 H -1.748354143427 1.049787713911 -3.976560299368 C 2.670567856573 -0.274773286089 2.460801700632 C 1.347484856573 -0.004188286089 2.448415700632 C 0.351143856573 -0.899574286089 1.831167700632 H -0.593401143427 -0.868696286089 2.384971700632 H 0.710015856573 -1.930380286089 1.776408700632 H 1.001231856573 0.964313713911 2.807759700632 H 3.033941856573 -1.260472286089 2.184577700632 H 3.392040856573 0.420944713911 2.874165700632 O -0.719702143427 0.886939713911 0.440048700632 B 0.031717856573 -0.300251286089 0.341692700632 N -0.690705143427 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-1.350043286089 -2.314318299368 H -4.725165143427 -2.379335286089 -0.044453299368 C -2.979935143427 -2.370963286089 -1.379744299368 C -4.126865143427 -3.082636286089 -0.632176299368 H -4.467540143427 -1.848730286089 -2.849584299368 H -3.770477143427 -3.879792286089 0.025726700632 H -1.388209143427 -3.027376286089 -2.764594299368 C -2.214587143427 -3.436996286089 -2.176121299368 H -4.791357143427 -3.537801286089 -1.370370299368 H -1.810601143427 -4.206424286089 -1.514790299368 H -2.901557143427 -3.912767286089 -2.881545299368 C 2.666934856573 1.784774713911 0.203573700632 F 3.062074856573 2.289878713911 -0.969803299368 F 1.494872856573 2.312198713911 0.513945700632 F 3.555486856573 2.143791713911 1.128456700632 O 1.444689856573 -0.231004286089 -0.305373299368 C 2.569678856573 0.255827713911 0.019841700632 C 3.779434856573 -0.494225286089 -0.311979299368 C 3.648290856573 -1.859802286089 -0.618181299368 C 4.767575856573 -2.607579286089 -0.941972299368 C 5.046963856573 0.110420713911 -0.332503299368 C 6.161112856573 -0.647091286089 -0.667173299368 C 6.024945856573 -2.000706286089 -0.967781299368 H 5.170865856573 1.161170713911 -0.103085299368 H 2.667779856573 -2.323128286089 -0.586513299368 H 4.665917856573 -3.661841286089 -1.173235299368 H 7.138655856573 -0.179333286089 -0.692860299368 H 6.901230856573 -2.587098286089 -1.223000299368 -------------------------------------------------------- 83 System IIc C 0.311713455708 3.832518745876 -1.864541095386 C 2.235881455708 5.191074745876 -1.088076095386 C -2.438870544292 -1.618270254124 -2.132513095386 C 1.658750455708 3.770234745876 -1.124469095386 C 2.645518455708 2.885981745876 -1.912112095386 C -1.117048544292 -1.873289254124 -1.967796095386 C 1.485340455708 3.201409745876 0.290774904614 C -0.119517544292 -0.798039254124 -1.944182095386 H 2.156553455708 4.959805745876 1.319356904614 O 0.626986455708 1.148136745876 -0.578003095386 C 1.816819455708 3.937444745876 1.429245904614 C 1.030237455708 1.882863745876 0.504033904614 B 0.075694455708 -0.150113254124 -0.445564095386 C 1.742911455708 3.402555745876 2.715590904614 C 1.022176455708 1.308183745876 1.778756904614 H 2.709998455708 -0.094556254124 -0.133341095386 H 2.007727455708 4.012595745876 3.571809904614 N 0.960702455708 -0.910236254124 0.691993904614 H -0.359381544292 -0.314957254124 2.192301904614 C 1.370494455708 2.080580745876 2.886617904614 C 0.694749455708 -0.151177254124 1.955010904614 H 0.635610455708 -1.875830254124 0.799609904614 C 2.400674455708 -1.064215254124 0.258291904614 O 1.526550455708 -3.087219254124 -0.605868095386 C 2.302459455708 -2.153090254124 -0.827136095386 H 4.161518455708 0.519920745876 1.629274904614 H 1.358074455708 1.631677745876 3.876674904614 N 3.044347455708 -2.071633254124 -1.947903095386 H 3.108200455708 0.011426745876 2.946423904614 H 1.272841455708 -0.579699254124 2.769661904614 C 2.964279455708 -3.161634254124 -2.915135095386 C 3.876192455708 -0.953888254124 -2.370119095386 C 3.863130455708 -0.336824254124 2.243441904614 H 5.136639455708 -1.252088254124 0.014446904614 C 3.420716455708 -1.519413254124 1.362602904614 C 4.697061455708 -2.021552254124 0.656954904614 H 4.731307455708 -0.644152254124 2.833312904614 H 4.518944455708 -2.920210254124 0.060842904614 H 1.991241455708 -2.422542254124 2.792071904614 C 2.878211455708 -2.681709254124 2.206951904614 H 5.437921455708 -2.272667254124 1.419880904614 H 2.629255455708 -3.541261254124 1.580040904614 H 3.648877455708 -2.989698254124 2.919039904614 H 3.523962455708 -0.590542254124 -3.341099095386 H 4.914504455708 -1.282765254124 -2.475921095386 H 3.843714455708 -0.126781254124 -1.665379095386 H 2.390675455708 -2.845490254124 -3.793383095386 H 2.479146455708 -4.017293254124 -2.452668095386 H 3.974112455708 -3.432250254124 -3.233218095386 H -0.458875544292 0.064491745876 -2.529013095386 H 0.845791455708 -1.115842254124 -2.341641095386 H -3.183079544292 -2.406087254124 -2.094845095386 H -2.767996544292 -0.647324254124 -2.493219095386 H -0.782807544292 -2.878548254124 -1.715696095386 H 2.364819455708 5.550256745876 -2.112835095386 H 3.214012455708 5.221401745876 -0.598339095386 H 1.566359455708 5.887775745876 -0.574221095386 H 0.452486455708 4.303244745876 -2.842938095386 H -0.410078544292 4.432259745876 -1.300221095386 H -0.104449544292 2.836441745876 -2.018682095386 H 2.818730455708 3.318048745876 -2.903149095386 H 2.255391455708 1.874052745876 -2.044008095386 H 3.609156455708 2.830603745876 -1.393816095386 C -2.434106544292 -0.705331254124 0.078784904614 C -3.710781544292 0.005595745876 -0.004968095386 C -3.768060544292 1.338417745876 -0.494866095386 C -5.011854544292 1.967934745876 -0.506661095386 C -4.888312544292 -0.633959254124 0.434525904614 C -6.103865544292 0.026157745876 0.416590904614 C -6.165147544292 1.334310745876 -0.056787095386 H -4.863122544292 -1.648043254124 0.808933904614 H -5.073096544292 2.984792745876 -0.880836095386 H -6.996689544292 -0.477094254124 0.768918904614 H -7.112623544292 1.862447745876 -0.080363095386 C -2.399130544292 -2.083104254124 0.782344904614 F -3.236785544292 -2.979833254124 0.275937904614 F -1.171948544292 -2.613056254124 0.736399904614 F -2.704459544292 -1.890964254124 2.068588904614 C -2.580302544292 2.104762745876 -1.011477095386 H -2.915118544292 3.029007745876 -1.484845095386 H -2.009989544292 1.529660745876 -1.746765095386 H -1.880630544292 2.357956745876 -0.208949095386 O -1.348992544292 -0.034963254124 0.113923904614 -------------------------------------------------------- 83 System IIIc C 3.435549215715 3.226996082640 -1.005632722891 C 5.680084215715 2.395346082640 -0.354346722891 C -2.249241784285 1.126454082640 -2.904976722891 C 4.221113215715 1.975677082640 -0.573024722891 C 4.206093215715 0.922267082640 -1.697282722891 C -1.394051784285 0.119041082640 -2.641179722891 C 3.614224215715 1.378923082640 0.702924277109 C -0.000032784285 0.329328082640 -2.204079722891 H 5.355411215715 1.632871082640 1.930126277109 O 1.524445215715 1.013495082640 -0.391463722891 C 4.336163215715 1.268423082640 1.893762277109 C 2.291837215715 0.898513082640 0.733717277109 B 0.254888215715 0.455311082640 -0.595062722891 C 3.797000215715 0.702631082640 3.048704277109 C 1.749371215715 0.290881082640 1.865978277109 H 1.868474215715 -1.694502917360 -0.012162722891 H 4.394124215715 0.646421082640 3.951855277109 N 0.036365215715 -0.780238917360 0.432011277109 H -0.367682784285 0.609158082640 1.929138277109 C 2.504984215715 0.201174082640 3.033036277109 C 0.335052215715 -0.210612917360 1.792247277109 H -0.947196784285 -1.081657917360 0.393647277109 C 0.829462215715 -2.015420917360 0.068276277109 O -1.020520784285 -2.501213917360 -1.307795722891 C 0.212748215715 -2.478024917360 -1.257264722891 H 2.744961215715 -2.848067917360 1.869933277109 H 2.077573215715 -0.255993917360 3.921264277109 N 0.993385215715 -2.888048917360 -2.273044722891 H 1.483668215715 -2.276731917360 2.962931277109 H 0.123562215715 -0.951260917360 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-0.667260917360 -1.416432722891 H -3.701507784285 -0.686167917360 3.514562277109 H -4.626572784285 -2.501467917360 -0.261961722891 H -4.716225784285 -2.532486917360 2.228197277109 C -2.859082784285 2.772524082640 -0.532461722891 F -3.186571784285 3.315315082640 0.643316277109 F -2.098259784285 3.632963082640 -1.192360722891 F -3.981041784285 2.549779082640 -1.207096722891 C -2.463607784285 1.496380082640 2.678276277109 H -2.009416784285 1.092160082640 3.586145277109 H -3.302122784285 2.129567082640 2.981079277109 H -1.735158784285 2.145195082640 2.190119277109 O -0.865522784285 1.538771082640 -0.221203722891 -------------------------------------------------------- 83 System IVc C 1.869782259538 2.558780620221 1.975207539664 C 0.655089259538 4.719540620221 2.071095539664 C 1.540017259538 -2.881259379779 1.995107539664 C 0.515773259538 3.235573620221 1.708093539664 C -0.570815740462 2.639870620221 2.625504539664 C 0.814724259538 -1.753056379779 2.106181539664 C 0.110089259538 3.054030620221 0.239797539664 C -0.506149740462 -1.574349379779 1.462175539664 H 0.191464259538 5.133728620221 -0.279007460336 O 0.027062259538 0.681329620221 0.497194539664 C -0.031838740462 4.134678620221 -0.632486460336 C -0.175024740462 1.780735620221 -0.292457460336 B -0.344855740462 -0.627985379779 0.146059539664 C -0.465248740462 3.983027620221 -1.949899460336 C -0.688238740462 1.618432620221 -1.581706460336 H -2.630151740462 0.676821620221 0.351691539664 H -0.553537740462 4.851082620221 -2.593479460336 N -1.554828740462 -0.599174379779 -0.920137460336 H -0.227610740462 -0.291604379779 -2.491349460336 C -0.818463740462 2.727684620221 -2.416614460336 C -1.076989740462 0.246056620221 -2.060850460336 H -1.725351740462 -1.561309379779 -1.245971460336 C -2.861213740462 -0.195809379779 -0.262335460336 O -3.079956740462 -2.534381379779 -0.015308460336 C -3.231000740462 -1.450999379779 0.553625539664 H -3.622945740462 2.297819620221 -1.060255460336 H -1.201167740462 2.598437620221 -3.425591460336 N -3.710403740462 -1.342353379779 1.805934539664 H -3.242961740462 1.635077620221 -2.652124460336 H -1.844821740462 0.301513620221 -2.828534460336 C -4.086564740462 -2.561394379779 2.514273539664 C -3.825582740462 -0.129622379779 2.600549539664 C -3.935526740462 1.567792620221 -1.814417460336 H -5.272150740462 0.896140620221 0.457451539664 C -4.060354740462 0.153684620221 -1.216632460336 C -5.343525740462 0.170361620221 -0.359256460336 H -4.914910740462 1.873572620221 -2.192076460336 H -5.584580740462 -0.810581379779 0.057377539664 H -3.386488740462 -0.982371379779 -2.988214460336 C -4.249788740462 -0.894723379779 -2.321872460336 H -6.179720740462 0.473057620221 -0.993740460336 H -4.450908740462 -1.882099379779 -1.902285460336 H -5.101759740462 -0.600511379779 -2.941264460336 H -3.270199740462 -0.259944379779 3.535570539664 H -4.875639740462 0.059368620221 2.844249539664 H -3.426683740462 0.741506620221 2.086637539664 H -5.060878740462 -2.414991379779 2.987189539664 H -3.345561740462 -2.785129379779 3.289418539664 H -4.135620740462 -3.386824379779 1.808941539664 H -1.177078740462 -1.041850379779 2.146810539664 H -0.947849740462 -2.540699379779 1.206293539664 H 1.229372259538 -0.900015379779 2.644573539664 H 1.133984259538 -3.754505379779 1.491853539664 H 2.501973259538 -3.001644379779 2.481896539664 H -0.313255740462 2.835605620221 3.671379539664 H -0.668044740462 1.560105620221 2.494168539664 H -1.540204740462 3.109042620221 2.424788539664 H 2.129213259538 2.654063620221 3.035255539664 H 2.656871259538 3.042324620221 1.389302539664 H 1.854622259538 1.498802620221 1.714092539664 H 0.925381259538 4.803063620221 3.127462539664 H -0.282056740462 5.264918620221 1.921581539664 H 1.441680259538 5.209662620221 1.489624539664 C 1.954111259538 -1.566746379779 -0.345493460336 C 2.900489259538 -0.473629379779 -0.034493460336 C 3.089565259538 0.526743620221 -1.011840460336 C 4.058045259538 1.503018620221 -0.755314460336 C 3.720234259538 -0.520953379779 1.103942539664 C 4.667303259538 0.462752620221 1.329390539664 C 4.828983259538 1.487386620221 0.397153539664 H 3.590360259538 -1.317564379779 1.823931539664 H 4.217438259538 2.276104620221 -1.501343460336 H 5.278336259538 0.429005620221 2.224093539664 H 5.570120259538 2.262384620221 0.561808539664 C 2.562735259538 -2.900336379779 -0.819177460336 F 3.567324259538 -3.285781379779 -0.041006460336 F 1.653213259538 -3.863207379779 -0.877530460336 F 3.036012259538 -2.686982379779 -2.051702460336 C 2.415562259538 0.544434620221 -2.361530460336 H 1.663751259538 1.336377620221 -2.414204460336 H 1.948680259538 -0.406706379779 -2.619393460336 H 3.164122259538 0.752884620221 -3.129115460336 O 0.748688259538 -1.425836379779 -0.673540460336 -------------------------------------------------------- 83 System Vc C -1.298568117242 3.634585287203 1.661549761028 C -3.493913117242 4.435295287203 0.834266761028 C 2.606424882758 -0.239459712797 2.405002761028 C -2.575737117242 3.208701287203 0.918867761028 C 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