Version2.0 2020-01-22T01:33:31Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC[NH+]1CCc2c(sc(c2C(=O)OC)NC(=O)c3ccc(cc3)S(=O)(=O)N4C[C@@H](C[C@H](C4)C)C)C1 C11882645 RHF 6-31G(d) (6D,7F) CCC[NH+]1CCc2c(sc(c2C(=O)OC)NC(=O)c3ccc(cc3)S(=O)(=O)N4C[C@@H](C[C@H](C4)C)C)C1 C01[X(C26H36N3O5S2)] 210 C1 620 CCC[NH+]1CCc2c(C1)sc(c2C(=O)OC)NC(=O)c1ccc(cc1)S(=O)(=O)N1C[C@H](C)C[C@H](C1)C CCC[NH+]1CCc2c(C1)sc(c2C(=O)OC)NC(=O)c1ccc(cc1)S(=O)(=O)N1C[C@H](C)C[C@H](C1)C CCC[NH+]1CCc2c(C1)sc(NC(=O)c3ccc(cc3)[S](=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c2C(=O)OC InChIKey=GIZFYVXEXWEVCD-QZTJIDSGSA-O InChI=1S/C26H35N3O5S2/c1-5-11-28-12-10-21-22(16-28)35-25(23(21)26(31)34-4)27-24(30)19-6-8-20(9-7-19)36(32,33)29-14-17(2)13-18(3)15-29/h6-9,17-18H,5,10-16H2,1-4H3,(H,27,30)/p+1/t17-,18-/m1/s1 InChI=1/C26H35N3O5S2/c1-5-11-28-12-10-21-22(16-28)35-25(23(21)26(31)34-4)27-24(30)19-6-8-20(9-7-19)36(32,33)29-14-17(2)13-18(3)15-29/h6-9,17-18H,5,10-16H2,1-4H3,(H,27,30)/p+1/t17-,18-/m1/s1/fC26H36N3O5S2/h27-28H/q+1 CCC[NH+]1CCc2c(sc(c2C(=O)OC)NC(=O)c3ccc(cc3)S(=O)(=O)N4C[C@@H](C[C@H](C4)C)C)C1 C01[X(C26H36N3O5S2)] 210 C01 620 CCC[NH+]1CCc2c(C1)sc(c2C(=O)OC)NC(=O)c1ccc(cc1)S(=O)(=O)N1C[C@H](C)C[C@H](C1)C CCC[NH]1CCC2=C(C1)S[C@@H]([C@@H]2C(=O)OC)NC(=O)c1ccc(cc1)S(=O)(=O)N1C[C@H](C)C[C@H](C1)C CCC[NH]1CCC2=C(C1)S[C@H](NC(=O)c3ccc(cc3)[S](=O)(=O)N4C[C@H](C)C[C@@H](C)C4)[C@@H]2C(=O)OC InChIKey=MLIDOFOYOXDBJF-MEROFXMNSA-N InChI=1S/C26H38N3O5S2/c1-5-11-28-12-10-21-22(16-28)35-25(23(21)26(31)34-4)27-24(30)19-6-8-20(9-7-19)36(32,33)29-14-17(2)13-18(3)15-29/h6-9,17-18,23,25,28H,5,10-16H2,1-4H3,(H,27,30)/t17-,18-,23-,25+/m1/s1 InChI=1/C26H38N3O5S2/c1-5-11-28-12-10-21-22(16-28)35-25(23(21)26(31)34-4)27-24(30)19-6-8-20(9-7-19)36(32,33)29-14-17(2)13-18(3)15-29/h6-9,17-18,23,25,28H,5,10-16H2,1-4H3,(H,27,30)/t17-,18-,23-,25+/m1/s1/f/h27H 4222.7413190902 -2337.9929225 1-A 38719.0418 142 478 620 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.25763 -92.09814 -20.71555 -20.65397 -20.64405 -20.60100 -20.60061 -15.85329 -15.71529 -15.64840 -11.49348 -11.46572 -11.45224 -11.45157 -11.44294 -11.44194 -11.38828 -11.38658 -11.38367 -11.38016 -11.37755 -11.35576 -11.34342 -11.34232 -11.34202 -11.33532 -11.32765 -11.32702 -11.32526 -11.31588 -11.31517 -11.27937 -11.27922 -11.26800 -11.26253 -11.25080 -9.22873 -9.10670 -6.91534 -6.91474 -6.91385 -6.78894 -6.78790 -6.78606 -1.58195 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4623.73 4630.76 4640.51 4656.21 4662.23 4673.61 4684.53 4690.63 4699.13 4701.26 4703.66 4707.47 4722.93 4728.78 4739.32 4751.71 4754.95 4761.84 4788.34 4793.92 4797.42 4825.33 4833.06 4845.55 4866.94 4906.31 4921.95 4926.57 5301.39 5482.74 0.653319 0.687220 0.688164 0.583544 -2337.339604 -2337.305703 -2337.304759 -2337.409378 3.508938D-04 MUNgauss RevisionA2.0 retrievium 22-Jan-2020 DUDE CCC[NH+]1CCc2c(sc(c2C(=O)OC)NC(=O)c3ccc(cc3)S(=O)(=O)N4C[C@@H](C[C@H](C4)C)C)C1 C11882645 RHF 6-31G(d) (6D,10F) C1 534.209640 |X|Y|Z| 185.330028 54.037321 38.094383 72.527079 24 6 7 16 19 3 2 |36.858105| |12.445975|36.858105| |7.576157|12.488027|36.858105| |4.921724|7.541036|12.645572|53.358707| |4.736406|7.389664|9.288280|25.686174|0.500000| |4.164454|5.937040|7.572095|17.234878|0.258498|36.858105| |3.221936|4.286966|4.950999|10.380799|0.204345|12.499140|36.858105| |2.865004|3.655580|4.420945|9.190235|0.183143|7.621005|12.630031|36.858105| |3.044785|3.850664|5.019070|10.621473|0.199966|6.870113|7.678959|14.204181|36.858105| |2.467798|2.933453|3.605769|6.379884|0.127162|4.228038|4.726975|7.369474|10.948765|388.023441| |2.202083|2.620147|3.056146|5.391635|0.110586|3.975599|5.026684|8.152010|7.736764|78.147462|36.858105| |2.361037|2.880495|3.321650|6.112425|0.126107|4.896536|7.205403|13.168655|8.234563|52.296283|13.853077|36.858105| |2.109037|2.528861|2.787441|4.852823|0.101331|4.047086|5.877507|7.290460|5.109781|33.858345|7.683731|12.944595|36.858105| |1.867479|2.189398|2.388557|4.003610|0.083552|3.232770|4.292135|5.150246|4.081526|29.701918|6.678447|8.079786|15.892805|73.516695| |2.203299|2.667260|2.865237|4.959537|0.103972|4.398671|6.732806|6.627751|4.549083|27.616245|5.278161|8.154989|14.464437|15.339301|73.516695| |1.949543|2.301161|2.405177|3.959983|0.083077|3.431145|4.644400|4.428278|3.392461|21.670960|3.955037|5.202695|8.131897|12.891379|23.708697|36.858105| |1.905902|2.211512|2.511817|4.204740|0.086744|3.108603|3.780867|5.219664|5.006392|49.782414|13.967127|7.835485|6.515087|12.517967|8.014068|3.688361|53.358707| |1.773026|2.017718|2.287708|3.702886|0.076113|2.659684|3.062845|4.005961|4.147041|43.689888|7.839653|5.139000|4.430691|8.502644|6.045445|2.924252|18.832659|36.858105| |1.842682|2.085634|2.397712|3.844266|0.078533|2.674923|2.977305|3.895111|4.334242|50.244074|6.880270|4.597777|3.777725|6.851970|5.385288|2.592186|11.586871|15.918539|73.516695| |1.560435|1.750754|1.944295|3.069677|0.063273|2.234185|2.547714|3.138605|3.152402|29.495617|5.093711|3.916130|3.731622|7.599106|5.278866|2.689918|10.629736|12.758915|14.302429|36.858105| |1.464301|1.622534|1.790070|2.769845|0.057243|1.983992|2.206478|2.651688|2.725750|25.097763|3.921549|3.136972|2.970852|5.852095|4.386788|2.267825|7.085967|7.750906|12.050868|13.702352|36.858105| |1.326209|1.456874|1.587749|2.424556|0.050119|1.751272|1.935710|2.260797|2.290623|20.047082|3.124987|2.634040|2.579539|5.128327|3.905483|2.073397|5.382770|5.090990|8.091092|7.927618|13.784647|36.858105| |1.275091|1.401829|1.518582|2.321080|0.047909|1.704527|1.900320|2.191322|2.169466|18.418273|2.972695|2.581028|2.619913|5.350092|3.982268|2.159109|5.131515|4.477650|6.801201|6.895020|7.965729|13.731595|36.858105| |1.335722|1.480382|1.607468|2.485736|0.051206|1.852972|2.102226|2.438558|2.362729|19.920001|3.387585|2.958928|3.090772|6.568237|4.605223|2.509479|6.073638|5.019746|7.119086|7.926557|6.858525|7.898103|13.746359|36.858105| |1.477513|1.655703|1.818895|2.862960|0.058904|2.136046|2.463979|2.953137|2.850495|24.857293|4.484622|3.735826|3.844915|8.349833|5.460955|2.880205|8.945884|7.510110|9.392970|13.699640|7.912868|6.855063|7.962707|13.768441|36.858105| |1.140000|1.241093|1.330081|2.003829|0.041353|1.475280|1.625168|1.827088|1.804542|14.821328|2.332973|2.097443|2.152935|4.328109|3.377280|1.869545|3.810736|3.154287|5.030807|4.188648|4.719917|6.927716|10.671408|6.936297|4.720531|388.023441| |1.116982|1.218083|1.297241|1.956988|0.040455|1.455793|1.614710|1.795216|1.745086|14.039163|2.250450|2.069665|2.178989|4.440158|3.448766|1.947481|3.646077|2.887850|4.538969|3.711724|3.852667|4.982216|7.387001|6.534643|4.448116|94.844995|73.516695| |1.111456|1.204889|1.286462|1.925982|0.039919|1.403352|1.533599|1.718679|1.714222|14.078103|2.165781|1.945754|1.971628|3.895666|3.117664|1.717531|3.474146|2.899839|4.765100|3.709273|4.430747|6.486941|7.383767|5.000282|3.859319|94.886800|13.593602|73.516695| |1.092841|1.182466|1.271362|1.900924|0.038896|1.402475|1.528264|1.708997|1.699212|13.894067|2.145482|1.935543|1.968605|3.899678|3.114964|1.720587|3.436989|2.841678|4.643528|3.619209|4.016910|5.394810|6.931816|5.347798|3.992515|83.166656|13.722151|13.723848|53.358707| |1.089199|1.179066|1.269312|1.899113|0.038642|1.416155|1.545608|1.719519|1.695691|13.711418|2.137848|1.950694|2.004825|3.988001|3.184004|1.771275|3.405438|2.746042|4.446080|3.418748|3.543704|4.342473|5.598034|5.158602|3.939965|50.774217|11.636038|8.856914|17.686361|36.858105| |1.012148|1.087719|1.166998|1.728926|0.035078|1.289076|1.391621|1.529982|1.514498|12.079821|1.847930|1.706017|1.745678|3.415646|2.816130|1.571886|2.867847|2.285069|3.786962|2.716478|2.823348|3.321057|3.911141|3.650264|3.012920|34.524539|8.212117|7.003928|10.562971|12.450696|36.858105| 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|1.003051|1.069164|1.151548|1.688565|0.034278|1.231937|1.307840|1.448164|1.472634|11.960630|1.750525|1.584212|1.566495|2.990326|2.523810|1.377851|2.680352|2.221815|3.866838|2.583856|2.913548|3.439057|3.476107|2.956827|2.600191|28.588659|5.856912|7.081466|7.713191|4.925091|5.497724|0.138283|8.917428|17.515841|0.500000| |1.083408|1.166374|1.258335|1.869432|0.038147|1.367028|1.473344|1.650857|1.665897|13.731260|2.062958|1.844794|1.839242|3.578814|2.917458|1.593086|3.260713|2.751749|4.648634|3.410143|3.964464|5.209428|5.582522|4.294373|3.509856|50.718220|8.852319|11.634066|17.674236|7.709239|6.479999|0.159067|7.596186|12.436091|0.250359|36.858105| |0.947106|1.010261|1.077955|1.581459|0.032302|1.158952|1.237339|1.357970|1.364566|10.927343|1.624380|1.490594|1.498785|2.883337|2.431971|1.346291|2.487691|2.020144|3.453862|2.365322|2.627656|3.174769|3.387905|2.879394|2.451079|31.696098|6.766955|8.114428|8.421334|5.083260|5.949083|0.182092|7.437570|12.438433|0.248220|7.514275|36.858105| |1.001592|1.075331|1.153614|1.706372|0.034459|1.283155|1.383225|1.509319|1.485507|11.698608|1.794029|1.676601|1.726421|3.367779|2.806993|1.576158|2.751207|2.147193|3.555038|2.487095|2.497823|2.807998|3.261205|3.244822|2.785849|26.376558|6.642858|5.451321|6.816339|7.585197|12.459691|0.247802|7.519120|4.871043|0.113666|4.394568|4.142522|36.858105| |3.834734|4.987303|7.655979|17.303336|0.260350|7.756632|6.364680|7.537415|12.723920|48.087910|4.847567|5.064370|3.728232|5.535931|6.323145|2.814038|4.944669|3.234577|6.172875|2.584184|2.321048|1.991112|1.880379|2.009403|2.350694|11.369883|2.744452|2.728407|2.069663|1.515047|1.372062|0.036022|1.353739|1.363591|0.037644|1.505207|1.254089|1.348719|36.858105| |17.564413|8.757998|6.864932|6.218785|0.123449|3.703299|2.953738|2.730009|2.978213|17.602156|2.165818|2.275925|2.016736|3.200519|3.684551|1.834115|2.564381|1.773982|3.312151|1.559759|1.474957|1.333890|1.274311|1.326486|1.465364|8.101284|1.974838|1.983168|1.487467|1.084848|1.008818|0.026893|1.001442|1.011342|0.028064|1.088459|0.951196|0.995002|3.792861|0.500000| |17.598301|8.833224|5.514651|5.550519|0.113314|3.621961|2.927350|2.588249|2.689482|15.794161|2.023839|2.176203|1.980527|3.138716|3.708370|1.873483|2.412289|1.650139|3.028032|1.466761|1.380445|1.258280|1.213919|1.270136|1.396542|7.763041|1.908073|1.895647|1.422237|1.040842|0.969011|0.025912|0.956382|0.962782|0.026610|1.033878|0.909321|0.958943|3.240738|0.302171|0.500000| 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|8.851037|17.521423|8.875625|9.454290|0.222221|5.290734|4.178590|3.648229|3.832203|21.099686|2.662039|2.914559|2.563216|3.955179|4.784848|2.324332|3.066827|2.057301|3.778913|1.785227|1.659684|1.488781|1.428283|1.504168|1.681781|8.983858|2.203870|2.189492|1.627824|1.186336|1.091438|0.029118|1.073304|1.084627|0.029882|1.178483|1.020223|1.074062|4.787418|0.211018|0.213620|0.172837|0.302746|0.500000| |6.949840|8.850316|17.618721|12.409442|0.213622|5.614908|4.156057|4.013589|4.812967|26.104006|2.986148|3.122134|2.599949|4.025655|4.636837|2.206900|3.373776|2.303880|4.372694|1.952705|1.817787|1.607176|1.522846|1.597690|1.804563|9.479418|2.295969|2.305007|1.735886|1.266499|1.165366|0.030846|1.156393|1.167745|0.032388|1.270271|1.086858|1.146992|7.573695|0.206792|0.141770|0.170462|0.173262|0.212378|0.500000| |6.808647|8.754095|17.613613|12.396316|0.182307|7.292765|4.655741|4.126920|4.608272|24.092523|2.902245|3.150677|2.674193|4.096076|4.901618|2.334233|3.276291|2.198758|4.087028|1.880269|1.728836|1.539700|1.479064|1.568867|1.770623|9.241697|2.255181|2.225854|1.703313|1.256707|1.159923|0.030650|1.145553|1.145512|0.031690|1.239859|1.064413|1.152785|6.706651|0.167564|0.139729|0.201384|0.209809|0.172945|0.301916|0.500000| |3.889687|5.095905|6.822381|12.472583|0.182540|17.617345|8.781925|6.641339|6.388222|29.436078|3.826127|4.551848|3.777038|5.477285|7.123772|3.193572|4.122713|2.621721|4.714049|2.207202|1.960245|1.732508|1.688400|1.836351|2.114613|10.404128|2.560777|2.464792|1.911040|1.426105|1.302829|0.034265|1.271277|1.259791|0.034571|1.372947|1.163262|1.303682|7.357994|0.097238|0.093088|0.110300|0.150798|0.122045|0.146671|0.213953|0.500000| |4.614054|6.787184|7.247445|12.318870|0.216308|17.665713|8.810808|5.554575|5.004725|24.431614|3.306970|4.005062|3.538833|5.146201|7.086401|3.263049|3.663378|2.334878|4.154049|2.005691|1.799076|1.607716|1.572689|1.703051|1.936173|9.793267|2.428162|2.335751|1.783047|1.323331|1.211069|0.032100|1.177540|1.172116|0.032078|1.275318|1.093013|1.207820|5.643076|0.108424|0.113684|0.124987|0.239093|0.161539|0.144522|0.195553|0.301318|0.500000| |2.888523|3.673547|4.119094|7.621073|0.146240|8.988920|17.626440|8.874727|5.856095|29.076952|4.576365|6.553262|6.091590|7.915811|13.686331|5.321877|4.901683|2.910903|4.942702|2.473863|2.129847|1.888256|1.878986|2.099591|2.448514|11.490669|2.876904|2.688926|2.078750|1.559985|1.407220|0.037106|1.349471|1.332639|0.036141|1.464143|1.233824|1.410269|4.950255|0.073254|0.073891|0.078917|0.112185|0.097664|0.097271|0.113257|0.220287|0.207683|0.500000| |3.192948|4.281749|4.556937|8.949813|0.202474|8.821460|17.554052|8.888063|6.081692|29.543678|4.521349|6.311243|5.678504|7.494365|12.341634|4.927109|4.819330|2.889209|4.954853|2.445642|2.135059|1.887336|1.857136|2.047592|2.376977|11.363945|2.837735|2.694511|2.028181|1.499244|1.349589|0.035811|1.297999|1.297131|0.035200|1.431283|1.209645|1.336445|5.257359|0.080986|0.082535|0.083372|0.129853|0.121527|0.107565|0.114630|0.173373|0.219586|0.305766|0.500000| |1.814598|2.110792|2.226868|3.611394|0.074372|3.113489|4.045097|3.977342|3.141710|20.650718|3.774577|4.745312|7.200543|12.857595|16.396715|17.658015|4.954694|2.913260|4.549012|2.730522|2.286280|2.107381|2.226679|2.626711|3.000472|13.745681|3.607544|3.117828|2.439595|1.870242|1.657927|0.044020|1.531539|1.492103|0.039549|1.648366|1.391044|1.678318|2.619269|0.047609|0.048331|0.049480|0.062175|0.058633|0.057128|0.060869|0.083116|0.081808|0.130846|0.113203|0.500000| |2.010632|2.375075|2.434464|3.953221|0.082920|3.499524|4.623069|4.070524|3.164374|19.650692|3.397970|4.389146|5.949155|9.227882|16.880312|17.676019|4.246241|2.549156|4.109356|2.347340|2.020086|1.859041|1.924323|2.197594|2.479308|12.027645|3.125798|2.785211|2.135205|1.613751|1.448357|0.038700|1.354637|1.331681|0.035543|1.461940|1.251516|1.456895|2.719640|0.051999|0.054071|0.054425|0.071581|0.066368|0.061318|0.065835|0.089780|0.095653|0.150816|0.140172|0.298431|0.500000| |1.851161|2.170599|2.247728|3.665684|0.078254|3.055951|4.015688|3.970372|3.146089|20.747540|3.795055|4.753290|7.208298|12.877456|16.399922|17.659096|4.991301|2.937481|4.588551|2.752401|2.330493|2.145063|2.244563|2.609247|2.967693|13.846823|3.634661|3.189438|2.403381|1.803200|1.591868|0.042636|1.476148|1.460538|0.038708|1.624447|1.374291|1.583412|2.622192|0.048727|0.049702|0.049646|0.063619|0.061760|0.057997|0.059957|0.078370|0.081103|0.120084|0.121721|0.299846|0.298434|0.500000| |1.813464|2.100253|2.341845|3.889101|0.080721|2.952413|3.662363|4.793317|4.310213|37.655096|9.555873|7.401234|7.575206|17.481398|8.865811|4.201088|25.950960|9.183016|10.818769|7.333521|4.855546|3.902734|3.923424|4.909775|7.409423|20.765639|5.101944|4.650069|3.531675|2.597590|2.167546|0.056216|2.035428|2.045430|0.054280|2.402904|1.845170|2.088217|3.225528|0.049458|0.047226|0.048757|0.058218|0.059479|0.063481|0.062535|0.079499|0.072195|0.099620|0.097206|0.116857|0.095449|0.118242|0.500000| |1.506701|1.664675|1.845033|2.840356|0.058759|1.998634|2.192314|2.644120|2.792262|26.308198|3.849101|3.047476|2.800006|5.345014|4.179424|2.136762|6.574902|7.265788|13.523612|8.935235|17.760340|8.917805|5.654970|4.947903|5.644250|27.725959|5.740643|6.877565|4.695252|3.050588|2.527171|0.065049|2.553493|2.802628|0.076773|3.559305|2.454109|2.252386|2.408016|0.042449|0.039345|0.040489|0.044710|0.047422|0.052601|0.049300|0.054807|0.050240|0.058088|0.058864|0.059214|0.053413|0.060708|0.119670|0.500000| |1.267179|1.381914|1.499459|2.265079|0.046869|1.624678|1.774186|2.048324|2.093238|18.095293|2.729902|2.334666|2.274018|4.441616|3.504118|1.867208|4.509644|4.147497|6.988811|5.640270|8.917946|17.761736|8.914781|5.634689|4.946696|47.093413|8.164270|13.190299|7.282437|4.072674|3.245120|0.084685|3.289870|3.916174|0.103433|5.638931|3.430730|2.691833|1.852390|0.035542|0.033467|0.034211|0.037488|0.039279|0.042373|0.040375|0.044642|0.041654|0.047939|0.048213|0.052469|0.047010|0.053641|0.089999|0.214268|0.500000| |1.281819|1.417703|1.529024|2.354854|0.048459|1.775011|2.016116|2.295166|2.192585|17.930608|3.053501|2.766435|2.976372|6.390437|4.520038|2.527614|5.263077|4.079633|5.940014|5.639574|4.948368|5.634689|8.922224|17.764692|8.914030|47.189293|13.385989|8.210721|7.182239|5.517640|3.858598|0.099466|3.240181|3.203579|0.078693|4.015411|2.855785|3.503308|1.878545|0.035220|0.033978|0.034858|0.039376|0.039925|0.041975|0.041599|0.048916|0.045642|0.056576|0.054744|0.074615|0.061515|0.073234|0.121117|0.107504|0.124157|0.500000| |1.527572|1.723519|1.894627|3.012168|0.061765|2.292243|2.696701|3.234854|3.025118|25.625450|4.918621|4.239157|4.585123|10.603181|6.333980|3.351544|9.825597|6.828876|8.582635|8.832818|5.617635|4.944056|5.675049|8.998566|17.730501|27.854476|6.951372|5.768233|4.680866|3.545513|2.792701|0.071255|2.533253|2.506604|0.064906|3.025902|2.219323|2.672303|2.454967|0.041795|0.040091|0.041466|0.047892|0.048440|0.051670|0.051407|0.063115|0.057562|0.075592|0.071905|0.099071|0.078382|0.095158|0.258026|0.123763|0.107441|0.217080|0.500000| |1.143221|1.240586|1.344759|2.019686|0.040907|1.508516|1.648300|1.848932|1.828024|14.925010|2.333107|2.108024|2.151462|4.281292|3.385609|1.865883|3.748177|3.050859|4.916801|3.821939|3.877604|4.590639|5.789330|5.627846|4.432706|43.076912|9.603033|7.803437|12.324695|17.456785|8.820289|0.174723|6.773164|5.663149|0.129827|6.926126|4.260279|7.009567|1.623925|0.031620|0.030236|0.031395|0.034255|0.034572|0.037264|0.037080|0.042403|0.038943|0.046282|0.044079|0.054961|0.047031|0.052335|0.078940|0.091819|0.115431|0.161220|0.110629|0.500000| |1.088783|1.181814|1.267139|1.901651|0.038794|1.427045|1.568546|1.736515|1.693167|13.551520|2.147794|1.983082|2.073923|4.175526|3.302554|1.860189|3.426985|2.700774|4.304529|3.355755|3.366742|4.055973|5.460935|5.433999|4.031766|50.062134|14.148680|8.447895|12.471625|17.664726|8.851198|0.219734|5.525043|4.876641|0.108316|5.635969|4.266942|6.873245|1.506568|0.030027|0.028964|0.029825|0.032777|0.033065|0.034966|0.034813|0.039793|0.037135|0.044173|0.042442|0.054874|0.046917|0.052900|0.074003|0.079932|0.103517|0.178069|0.103167|0.300500|0.500000| |1.036579|1.109339|1.199955|1.768928|0.035664|1.308433|1.396419|1.545364|1.555665|12.559582|1.871114|1.703776|1.701664|3.272802|2.736425|1.500516|2.877363|2.344375|3.996804|2.728215|2.898569|3.304446|3.563270|3.266615|2.868416|27.841473|6.093468|6.097380|7.892966|6.808945|8.878719|0.174267|17.482962|8.852996|0.222893|6.826035|5.479980|7.009288|1.419947|0.028830|0.027441|0.028582|0.030490|0.030811|0.033494|0.033251|0.036995|0.033989|0.039029|0.037299|0.043709|0.038555|0.041788|0.058885|0.074117|0.091491|0.089806|0.073259|0.199041|0.139502|0.500000| |0.950222|1.012287|1.085656|1.590482|0.032177|1.176896|1.252146|1.369303|1.372641|10.911542|1.622663|1.498404|1.508248|2.892079|2.455543|1.360199|2.465038|1.974956|3.372705|2.267489|2.407194|2.753403|2.982201|2.733199|2.390866|24.860178|5.672870|5.670778|6.757428|5.513457|8.826312|0.214485|17.541030|8.811840|0.210045|5.516691|6.956504|6.847842|1.263120|0.026420|0.025272|0.026190|0.027869|0.028162|0.030279|0.030052|0.033156|0.030797|0.035017|0.033677|0.039516|0.035183|0.038060|0.050792|0.062221|0.077821|0.076870|0.061805|0.139048|0.123768|0.303574|0.500000| |1.080149|1.161754|1.250324|1.854559|0.038007|1.347047|1.449400|1.624659|1.646533|13.606658|2.028045|1.809083|1.795073|3.477905|2.850499|1.552928|3.195674|2.716212|4.637095|3.351301|4.052300|5.480365|5.455465|4.030815|3.347232|50.050779|8.445809|14.150905|12.464012|5.635917|4.875895|0.128655|5.524276|8.831849|0.211362|17.667140|7.091358|3.555752|1.492375|0.030223|0.028665|0.029421|0.031703|0.032731|0.035180|0.034080|0.037413|0.034946|0.039775|0.039287|0.044281|0.039659|0.044202|0.065070|0.103266|0.182015|0.102725|0.079566|0.142540|0.127418|0.139747|0.123593|0.500000| |1.135781|1.224672|1.330580|1.981659|0.040275|1.446620|1.557435|1.760110|1.788286|14.940519|2.231319|1.969997|1.942272|3.767128|3.057527|1.653107|3.547361|3.055559|5.201658|3.804068|4.470131|5.701291|5.760805|4.517161|3.821258|42.996038|7.795670|9.588611|12.342696|6.953151|5.705185|0.132547|6.819101|8.819307|0.222965|17.474566|5.496743|4.230201|1.610446|0.031727|0.029993|0.031069|0.033446|0.034293|0.037375|0.036483|0.040521|0.037291|0.042943|0.041752|0.047554|0.042043|0.046529|0.071701|0.111498|0.165855|0.113282|0.090567|0.206049|0.142717|0.200801|0.139623|0.300625|0.500000| |0.945181|1.010555|1.075257|1.581822|0.032381|1.163671|1.248675|1.367436|1.364470|10.877410|1.635375|1.508525|1.531331|2.966000|2.487107|1.386330|2.514307|2.023298|3.417508|2.387490|2.619562|3.193884|3.541736|3.028682|2.524526|35.436921|7.882992|8.859182|9.273756|5.568876|6.415431|0.222374|6.609853|8.724150|0.173435|6.806720|17.588991|4.353246|1.249152|0.026308|0.025248|0.025847|0.027793|0.028382|0.030024|0.029459|0.032364|0.030529|0.034664|0.034014|0.039869|0.035735|0.039481|0.052320|0.067028|0.094264|0.085267|0.063692|0.122104|0.135328|0.135809|0.168791|0.177578|0.137995|0.500000| |0.945598|1.007496|1.073750|1.572765|0.032207|1.146291|1.221390|1.341777|1.354018|10.871493|1.604779|1.468367|1.468955|2.815199|2.383634|1.315219|2.452133|2.003030|3.452217|2.336443|2.644681|3.208887|3.311503|2.762678|2.376675|30.554698|6.374890|8.514265|7.352995|4.242059|4.552120|0.135490|5.447827|8.791243|0.216910|6.814329|17.551792|3.383951|1.247806|0.026443|0.025232|0.025828|0.027570|0.028334|0.030163|0.029370|0.031875|0.030040|0.033677|0.033248|0.037527|0.034005|0.037388|0.050266|0.069558|0.099531|0.074864|0.059410|0.102351|0.101871|0.123451|0.142085|0.210681|0.142260|0.302667|0.500000| |0.905331|0.962231|1.024889|1.496697|0.030513|1.098235|1.167124|1.273344|1.279744|10.166372|1.503017|1.388313|1.395805|2.670264|2.279975|1.264750|2.278055|1.832828|3.150517|2.107659|2.306591|2.705845|2.864274|2.511494|2.181172|25.526416|5.702857|6.452782|6.434350|4.278284|5.341779|0.165346|6.851151|8.794488|0.212191|5.476788|17.548467|4.010011|1.183128|0.025253|0.024169|0.024829|0.026417|0.026941|0.028694|0.028180|0.030684|0.028848|0.032390|0.031677|0.036329|0.032809|0.035752|0.046887|0.060439|0.080192|0.069754|0.055656|0.102665|0.102581|0.142651|0.210506|0.142767|0.123216|0.301309|0.301834|0.500000| |1.002919|1.079241|1.154241|1.711666|0.034622|1.294563|1.403165|1.524455|1.487042|11.619892|1.803563|1.701110|1.774513|3.487052|2.894971|1.642298|2.767139|2.127212|3.483992|2.462077|2.428547|2.714484|3.217543|3.304317|2.819085|26.006811|6.946766|5.296948|6.281083|6.913179|8.762062|0.213634|5.468330|4.034317|0.095046|3.845003|3.617225|17.542414|1.345535|0.027596|0.026718|0.027681|0.030047|0.029957|0.031756|0.032023|0.036461|0.033919|0.039915|0.037761|0.048870|0.042102|0.045940|0.059056|0.060438|0.071400|0.102696|0.076348|0.174123|0.205397|0.141903|0.140323|0.089230|0.102243|0.109227|0.084304|0.096549|0.500000| 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