Version2.0 2020-01-23T07:50:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 04-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(ccc1C(=O)C2=C(C(=O)N([C@H]2c3ccc(c(c3)OC)OC)CCC[NH+](C)C)[O-])OCC=C C16805648 RHF 6-31G(d) (6D,7F) Cc1cc(ccc1C(=O)C2=C(C(=O)N([C@H]2c3ccc(c(c3)OC)OC)CCC[NH+](C)C)[O-])OCC=C C01[X(C28H34N2O6)] 204 C1 608 C=CCOc1ccc(c(c1)C)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(c(c1)OC)OC)CCC[NH+](C)C C=CCOc1ccc(c(c1)C)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(c(c1)OC)OC)CCC[NH+](C)C COc1ccc(cc1OC)[C@@H]2N(CCC[NH+](C)C)C(=O)C(=C2C(=O)c3ccc(OCC=C)cc3C)[O-] InChIKey=OPDCWMANXOSYFL-VWLOTQADSA-N InChI=1S/C28H34N2O6/c1-7-15-36-20-10-11-21(18(2)16-20)26(31)24-25(19-9-12-22(34-5)23(17-19)35-6)30(28(33)27(24)32)14-8-13-29(3)4/h7,9-12,16-17,25,32H,1,8,13-15H2,2-6H3/t25-/m0/s1 InChI=1/C28H34N2O6/c1-7-15-36-20-10-11-21(18(2)16-20)26(31)24-25(19-9-12-22(34-5)23(17-19)35-6)30(28(33)27(24)32)14-8-13-29(3)4/h7,9-12,16-17,25,32H,1,8,13-15H2,2-6H3/t25-/m0/s1/f/h32h,29H Cc1cc(ccc1C(=O)C2=C(C(=O)N([C@H]2c3ccc(c(c3)OC)OC)CCC[NH+](C)C)[O-])OCC=C C01[X(C28H34N2O6)] 204 C01 608 C=CCOc1ccc(c(c1)C)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(c(c1)OC)OC)CCC[NH+](C)C C=CCOc1ccc(c(c1)C)C(=O)[C@H]1C(=O)C(=O)N([C@H]1c1ccc(c(c1)OC)OC)CCC[NH](C)C COc1ccc(cc1OC)[C@H]2[C@H](C(=O)C(=O)N2CCC[NH](C)C)C(=O)c3ccc(OCC=C)cc3C InChIKey=MGFXOXSFLSWLQO-DQEYMECFSA-N InChI=1S/C28H35N2O6/c1-7-15-36-20-10-11-21(18(2)16-20)26(31)24-25(19-9-12-22(34-5)23(17-19)35-6)30(28(33)27(24)32)14-8-13-29(3)4/h7,9-12,16-17,24-25,29H,1,8,13-15H2,2-6H3/t24-,25-/m0/s1 InChI=1/C28H35N2O6/c1-7-15-36-20-10-11-21(18(2)16-20)26(31)24-25(19-9-12-22(34-5)23(17-19)35-6)30(28(33)27(24)32)14-8-13-29(3)4/h7,9-12,16-17,24-25,29H,1,8,13-15H2,2-6H3/t24-,25-/m0/s1 3902.5084826539 -1638.0324481 1-A 25221.1073 132 476 608 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1770.91 1793.27 1806.60 1809.86 1844.39 1847.97 1854.00 1855.99 1860.57 1862.83 1902.93 1903.96 1916.23 1946.17 1962.83 1969.61 1980.15 2002.97 2008.34 2032.69 2041.96 2050.82 2060.71 2064.50 2065.45 2077.94 2104.81 2123.76 2136.59 2193.13 2209.72 2214.65 2241.21 2254.56 2261.88 2274.60 2276.94 2279.38 2285.04 2307.53 2313.91 2323.67 2331.02 2338.05 2353.07 2355.69 2356.91 2358.06 2364.91 2365.38 2369.33 2372.25 2374.53 2385.17 2386.24 2392.51 2393.74 2399.71 2419.33 2441.13 2542.47 2559.83 2601.33 2604.46 2618.34 2713.18 2736.20 2818.91 4590.40 4596.91 4616.24 4626.66 4630.68 4651.45 4657.28 4666.30 4687.72 4697.16 4710.57 4711.36 4714.70 4717.70 4737.16 4754.04 4773.02 4773.61 4780.33 4786.44 4810.43 4826.21 4830.02 4836.09 4842.05 4844.00 4849.57 4856.76 4869.90 4888.16 4890.65 4901.80 4902.82 5319.33 0.627786 0.662865 0.663809 0.555497 -1637.404662 -1637.369583 -1637.368639 -1637.476951 3.632802D-04 MUNgauss RevisionA2.0 retrievium 23-Jan-2020 DUDE Cc1cc(ccc1C(=O)C2=C(C(=O)N([C@H]2c3ccc(c(c3)OC)OC)CCC[NH+](C)C)[O-])OCC=C C16805648 RHF 6-31G(d) (6D,10F) C1 494.241687 |X|Y|Z| 140.238729 63.054740 39.722848 70.557312 18 6 7 17 1 |36.858105| |12.608869|36.858105| |7.643444|13.775417|36.858105| |5.026869|7.863935|13.707837|36.858105| |4.417502|6.797387|7.949083|13.782601|36.858105| |5.010119|7.950084|6.969496|7.998504|13.717538|36.858105| |7.462307|13.587499|7.948706|6.828216|7.846621|13.787162|36.858105| |6.200191|7.380095|4.986827|4.433971|5.055154|7.748778|12.606233|36.858105| |4.831147|5.514740|4.143198|3.862825|4.491214|6.531626|8.133002|15.602691|73.516695| |5.650474|5.744444|4.128813|3.635628|3.953423|5.337144|7.421063|13.340558|14.704263|36.858105| |5.588327|5.394960|4.063423|3.525246|3.671251|4.581866|6.023364|7.372864|9.284061|13.557408|36.858105| |4.095171|3.800589|3.072933|2.742821|2.846705|3.401716|4.115915|5.064695|7.377986|8.125201|12.355375|36.858105| |3.497909|3.234078|2.730378|2.460876|2.516037|2.895766|3.377133|3.879185|5.855817|5.419699|7.686933|15.853592|73.516695| |3.733808|3.489148|2.816931|2.546883|2.689322|3.262846|3.905966|5.201932|8.148834|8.222441|8.155502|14.044698|14.987430|53.358707| |4.150975|4.033974|3.144944|2.854669|3.097760|3.953829|4.858776|7.602325|12.296420|12.635157|7.921265|8.068975|9.661528|17.679189|36.858105| |4.135753|3.862556|3.021412|2.712811|2.896878|3.628977|4.480196|6.784836|12.222024|8.807111|6.030692|6.125285|8.053321|12.387635|17.525160|0.500000| |3.257732|3.352067|2.748821|2.613097|2.930341|3.713768|4.143014|5.985101|11.147784|7.368931|5.414063|5.592229|7.668247|10.601695|12.434291|0.248816|36.858105| |3.006590|3.228925|2.722597|2.669572|3.071736|3.877545|4.058313|5.377878|9.543451|6.257697|5.108925|5.068960|7.308415|8.130722|7.472875|0.156067|13.730903|36.858105| |2.481536|2.664528|2.329595|2.332269|2.682128|3.242514|3.244452|3.983931|7.375286|4.309639|3.745937|3.810536|5.892704|5.941767|4.993699|0.116865|7.926552|13.749299|36.858105| |2.243204|2.359480|2.077015|2.067046|2.338439|2.772598|2.801793|3.423370|6.591246|3.636844|3.152222|3.287766|5.173163|5.297963|4.409876|0.110853|6.809950|7.900093|13.768917|36.858105| |2.343090|2.409136|2.091072|2.043715|2.279209|2.718012|2.834849|3.574182|7.093181|3.820785|3.213781|3.404470|5.271344|5.804400|4.995518|0.133135|7.854286|6.850436|7.953086|13.680087|36.858105| |2.773715|2.806775|2.364462|2.262220|2.507811|3.066580|3.337905|4.494441|8.989463|5.009188|3.968875|4.226730|6.226479|7.827301|7.539782|0.204445|13.695732|7.977065|6.931166|7.939395|13.723045|36.858105| |2.063835|2.099262|1.850853|1.811021|1.994411|2.321516|2.408221|2.931500|5.818810|3.071287|2.655603|2.821544|4.495028|4.684894|3.854530|0.108030|5.167129|4.606280|5.278405|8.139645|14.044990|7.862980|73.516695| |2.063172|2.067928|1.820787|1.765581|1.922391|2.226148|2.338919|2.841377|5.735691|2.927604|2.513321|2.648719|4.215235|4.403753|3.659190|0.108837|4.501242|3.803667|4.008963|5.281467|8.014749|6.685861|24.152029|36.858105| |1.938716|2.038836|1.833771|1.843657|2.072777|2.388143|2.370960|2.775371|5.293235|2.896649|2.598438|2.708048|4.401715|4.205048|3.355667|0.086518|4.579525|5.217106|8.006586|13.953792|7.945400|5.214774|12.534768|4.684385|73.516695| |1.833161|1.946017|1.770825|1.800705|2.035802|2.320362|2.260178|2.594131|5.051776|2.605295|2.319380|2.350421|3.820739|3.589913|2.923784|0.077185|3.817953|4.225241|5.823044|8.114994|6.070038|4.324522|10.718983|4.426745|24.029917|36.858105| |2.963884|2.771959|2.327308|2.138509|2.246996|2.643285|3.033067|3.813045|6.373175|5.128651|5.129386|7.845664|12.191562|18.116483|7.417911|0.183288|6.268806|4.991586|4.072519|3.881238|4.366601|5.587720|6.511795|3.434291|5.608981|2.639800|36.858105| |2.531345|2.455514|2.116456|1.993367|2.120038|2.463601|2.715498|3.297167|5.567631|4.216071|4.312198|6.093115|10.589715|10.528564|5.503972|0.130985|5.707180|5.254904|4.608505|4.350292|4.552870|5.191558|6.742282|3.337996|6.393392|2.879365|12.363742|36.858105| |2.144816|2.078276|1.824649|1.732032|1.834407|2.094446|2.269504|2.692687|4.692005|3.236734|3.230663|4.160624|7.425135|6.857907|4.092207|0.105440|4.403740|4.069627|3.927090|4.053573|4.340150|4.545133|6.986795|3.468641|6.335656|2.849135|7.518181|12.538062|36.858105| |1.904302|1.879810|1.679244|1.618735|1.723548|1.943564|2.056011|2.379086|4.159492|2.774126|2.788919|3.411185|6.193434|5.239538|3.318929|0.084778|3.708682|3.715427|3.852196|3.992272|3.947216|3.806669|6.504037|3.120373|6.678615|2.951252|4.905995|7.584548|12.579280|53.358707| |1.917647|1.896798|1.701266|1.641302|1.742937|1.955597|2.065214|2.360599|4.059780|2.773483|2.867385|3.539917|6.643979|5.199476|3.224212|0.080977|3.517942|3.630890|3.700189|3.644404|3.500750|3.447304|5.655677|2.745282|6.088730|2.734068|4.708849|7.420538|9.327816|25.711788|0.500000| |1.878097|1.891574|1.694568|1.655183|1.789350|2.027576|2.106552|2.445606|4.351399|2.786841|2.720107|3.175053|5.543043|4.906661|3.322557|0.084195|3.994819|4.210026|4.791262|5.205899|4.768478|4.202782|7.780120|3.475742|9.132218|3.748933|4.253985|6.099848|7.588455|17.305819|0.259701|36.858105| |1.682836|1.652116|1.492406|1.440351|1.521328|1.692246|1.782163|2.027629|3.572334|2.309481|2.320409|2.764855|5.068385|4.166421|2.701996|0.071179|2.943582|2.908160|3.033714|3.221066|3.244952|3.095391|5.679654|2.825465|5.634757|2.601372|3.805297|4.999441|7.671692|17.436577|0.260292|7.746530|36.858105| |5.924261|5.849865|4.579808|3.901075|3.906390|4.621258|5.915843|5.939311|7.699123|7.890723|15.713886|7.957854|11.646198|7.482178|5.283857|0.122621|4.096321|4.083601|3.189663|2.702911|2.701988|3.190857|4.067734|2.173086|4.083969|2.081832|3.992388|3.544479|2.769767|3.356187|0.071328|2.402808|2.092039|73.516695| |3.959025|5.268799|8.193171|14.047247|7.857017|5.206795|4.598748|3.371261|5.407256|2.902530|2.876687|2.335939|3.817682|2.956686|2.377253|0.063299|2.206269|2.260027|2.021954|1.814767|1.789055|1.949685|2.859164|1.571857|2.925602|1.617215|1.867603|1.758596|1.549770|1.989146|0.041241|1.490891|1.313908|5.672656|73.516695| |3.118392|3.968508|5.259310|7.995924|6.717989|4.512925|3.776790|2.928494|4.827996|2.552407|2.517797|2.096170|3.455563|2.678276|2.145842|0.056944|2.046494|2.131668|1.947705|1.750856|1.705361|1.826519|2.739321|1.497469|2.858046|1.594667|1.716402|1.642885|1.460513|1.897087|0.039352|1.433558|1.257556|4.884698|24.187974|36.858105| |2.678490|3.199035|4.098334|5.247832|4.422664|3.352764|2.977953|2.414945|4.014161|2.165383|2.166900|1.848856|3.096027|2.361386|1.859503|0.049714|1.772361|1.834353|1.694110|1.540732|1.505346|1.602451|2.444806|1.342003|2.540434|1.418375|1.535756|1.474029|1.323519|1.725708|0.035844|1.296709|1.154223|4.207895|14.451753|12.703184|36.858105| |2.318359|2.700645|3.308094|4.042543|3.617060|2.865829|2.559057|2.137313|3.623610|1.921713|1.905171|1.653245|2.776628|2.135849|1.681778|0.045287|1.618977|1.671240|1.562454|1.435782|1.404244|1.482668|2.300541|1.267143|2.387299|1.343498|1.404513|1.352559|1.226238|1.605043|0.033237|1.209051|1.080132|3.639272|9.777764|7.640898|14.461607|36.858105| |17.600723|8.913342|6.202089|4.411718|3.965479|4.484680|6.364119|5.720805|7.748586|5.989973|6.817970|4.844606|7.402422|5.635802|4.340523|0.116278|3.323773|3.087744|2.525609|2.263075|2.350366|2.787252|3.662032|2.039130|3.472745|1.823226|3.228611|2.738592|2.282641|2.743964|0.056891|1.963648|1.771550|13.912925|6.370818|2.892722|2.519820|2.178639|0.500000| |17.574332|8.824755|5.749874|4.224825|3.944411|4.653525|6.887151|6.787265|9.823128|6.105906|5.473064|4.193288|6.216372|5.500157|4.672045|0.136684|3.550219|3.143441|2.579133|2.366191|2.528006|3.057260|3.962545|2.260757|3.602592|1.915499|3.195292|2.655172|2.257964|2.690471|0.054717|1.948886|1.746648|9.270374|6.036568|2.776004|2.400468|2.121450|0.301386|0.500000| |17.564162|8.880132|7.352228|4.796664|3.991544|4.212931|5.578618|4.653839|6.953587|4.279074|4.307650|3.397177|5.368054|4.254855|3.384908|0.095150|2.757809|2.568345|2.176483|1.993627|2.079515|2.415946|3.311307|1.875112|3.110103|1.667476|2.582717|2.234788|1.931427|2.353366|0.048372|1.700819|1.547408|8.267148|7.128037|3.110095|2.742373|2.379315|0.300667|0.301644|0.500000| |7.094464|8.909584|17.723304|8.999185|5.676592|5.002955|5.638258|4.044148|6.151556|3.538353|3.586312|2.817684|4.551155|3.502295|2.796915|0.075638|2.440130|2.398644|2.079196|1.876934|1.898272|2.134384|3.022706|1.683008|2.973576|1.615647|2.163803|1.965084|1.710586|2.144160|0.044391|1.576619|1.412154|7.254077|13.575266|4.893357|4.133998|3.338628|0.164428|0.146987|0.225053|0.500000| |3.537498|4.915964|5.631889|8.853966|17.754713|8.930837|5.623226|4.149514|6.878987|3.374232|3.153396|2.539154|4.048098|3.296413|2.759924|0.071778|2.697103|2.882222|2.593693|2.269075|2.180619|2.346981|3.417502|1.842903|3.631301|2.031175|2.064559|1.981764|1.734204|2.245995|0.046359|1.727990|1.463144|5.900922|12.418075|7.403460|4.689940|3.908714|0.090314|0.090003|0.090820|0.124330|0.500000| |4.081889|5.658124|5.002629|5.681639|8.952876|17.720169|8.989062|7.324939|12.321688|5.179443|4.295062|3.323633|5.020966|4.465359|4.057033|0.102160|4.070002|4.420623|3.736201|3.138364|3.016051|3.350765|4.517548|2.401183|4.771201|2.629030|2.687461|2.551412|2.175237|2.770229|0.056627|2.162183|1.762126|7.365417|7.456975|3.906479|2.989497|2.626653|0.104635|0.110183|0.096769|0.108387|0.217073|0.500000| |3.255050|3.587697|3.016610|2.972769|3.457599|4.425250|4.595384|5.871690|9.491239|7.004657|6.058257|5.565941|7.962534|7.960875|6.927839|0.141423|8.934387|17.743356|8.907825|5.632485|4.942418|5.664783|6.501489|3.143763|7.501455|3.571537|4.608025|4.805331|3.651484|4.602713|0.095006|3.703114|2.680833|8.699710|4.419882|2.336196|1.990256|1.792438|0.094202|0.091963|0.076397|0.072952|0.089349|0.139589|0.500000| |2.312237|2.514400|2.245573|2.287099|2.645382|3.125438|3.031930|3.536966|6.405273|3.751642|3.405840|3.413376|5.440864|5.039680|4.064035|0.096431|5.631269|8.879916|17.703761|9.004085|5.668418|4.981282|7.602706|3.354856|13.108718|5.676778|3.469158|3.994070|3.473441|4.863769|0.097993|4.478294|2.864596|5.352020|3.560523|1.956172|1.704081|1.573624|0.065509|0.065624|0.056854|0.055781|0.072346|0.100526|0.213592|0.500000| |2.793110|2.749377|2.309820|2.179491|2.373800|2.868966|3.185506|4.256328|8.610401|4.687792|3.736572|4.006990|5.950648|7.502030|7.065781|0.228259|8.958453|5.675026|4.983898|5.646558|8.920150|17.737596|12.607851|7.418002|7.481448|3.671990|5.547305|4.724067|4.314299|4.768636|0.087698|3.689505|2.953051|5.376897|3.355085|1.756081|1.550913|1.439276|0.077423|0.087427|0.068060|0.058492|0.061353|0.085047|0.124680|0.108034|0.500000| |2.196598|2.216066|1.942371|1.884634|2.062938|2.407920|2.528960|3.098742|6.484702|3.092184|2.589123|2.653242|4.163533|4.385270|3.810637|0.115944|4.639345|3.858318|3.952994|4.972907|7.262142|6.736769|16.432966|17.580254|7.626686|4.247759|3.275173|3.095028|3.086680|3.769596|0.069229|3.051278|2.492760|3.976568|2.966068|1.585781|1.413407|1.335061|0.059493|0.067469|0.055339|0.049618|0.054809|0.072485|0.089144|0.091859|0.213722|0.500000| |2.114792|2.079642|1.819945|1.743369|1.876261|2.169984|2.322197|2.836307|5.621230|2.995553|2.594235|2.798417|4.465028|4.748192|3.842628|0.117436|4.502927|3.663812|3.699205|4.616616|6.829202|6.626840|16.395901|17.550285|7.158269|3.668837|3.840425|3.614966|3.836977|4.495441|0.079892|3.522868|3.008227|3.960088|2.759634|1.468078|1.320362|1.243478|0.058461|0.064835|0.053395|0.046991|0.049563|0.064047|0.085138|0.086180|0.230328|0.299465|0.500000| |1.853370|1.859875|1.660058|1.618992|1.755254|2.001220|2.079525|2.460934|4.912414|2.512637|2.201015|2.311305|3.741673|3.739575|3.030918|0.089244|3.609021|3.193599|3.431349|4.438039|5.885919|4.883770|16.967584|17.635057|7.611917|4.244524|2.926983|2.895828|3.078729|3.891422|0.070044|3.187826|2.675091|3.441572|2.588253|1.395932|1.259491|1.196199|0.050834|0.055970|0.047290|0.042886|0.047105|0.059766|0.075287|0.082754|0.145338|0.299387|0.300465|0.500000| |1.665601|1.760967|1.619453|1.650573|1.850374|2.073677|2.015574|2.270351|4.355243|2.289443|2.079436|2.119639|3.500785|3.190985|2.536681|0.067223|3.186302|3.504807|4.619770|5.886029|4.696481|3.541916|8.697634|3.788641|16.861784|17.620896|2.374494|2.614481|2.641368|3.823378|0.072565|3.570989|2.539044|3.360683|2.663247|1.485646|1.332592|1.268095|0.046148|0.048074|0.042415|0.041332|0.051573|0.064507|0.085091|0.131183|0.086163|0.099399|0.089510|0.105115|0.500000| |1.900677|2.051868|1.875626|1.931216|2.216862|2.531413|2.412907|2.740108|5.357086|2.693814|2.384557|2.360007|3.813033|3.549596|2.938210|0.076802|3.817361|4.391292|6.048856|7.224520|5.333985|4.101352|8.728931|3.847396|16.440370|17.563420|2.539159|2.736206|2.628969|3.670797|0.070836|3.335360|2.363236|3.830963|3.074525|1.717026|1.515738|1.434993|0.052245|0.054840|0.047934|0.047201|0.062050|0.081226|0.105387|0.173250|0.096289|0.107367|0.090474|0.100881|0.299420|0.500000| |1.837946|1.937374|1.756760|1.775703|1.996988|2.280386|2.242028|2.593482|5.156154|2.577796|2.264514|2.291507|3.703982|3.545522|2.928418|0.079283|3.788296|3.944778|5.043936|7.161289|6.439892|4.521569|12.787923|5.367073|16.422908|17.603857|2.616744|2.776051|2.773785|3.806794|0.071219|3.441805|2.501340|3.597149|2.833678|1.564421|1.393459|1.323556|0.050424|0.053876|0.046545|0.044616|0.055062|0.071336|0.092096|0.128940|0.109837|0.144503|0.116594|0.146164|0.299624|0.299143|0.500000| |2.831828|2.649075|2.228520|2.054332|2.165161|2.549336|2.910367|3.703345|6.481695|4.712004|4.364618|5.787701|8.906715|12.652047|7.166702|0.201997|6.447878|4.771392|4.020932|4.063765|4.924189|6.579787|7.500081|4.082860|5.835384|2.762328|17.574031|8.793307|7.180906|6.348136|0.117860|4.180614|3.757930|6.152373|3.196024|1.656619|1.483666|1.365445|0.083412|0.086650|0.069089|0.057592|0.055464|0.072531|0.116715|0.093297|0.199138|0.106753|0.132878|0.094352|0.068562|0.072809|0.077698|0.500000| |2.883585|2.629919|2.231394|2.032177|2.097629|2.421067|2.785428|3.370012|5.571513|4.411438|4.683817|7.209055|12.896483|12.600252|5.663816|0.148714|4.677414|3.935889|3.324010|3.188384|3.524082|4.291217|5.497449|2.973181|4.790178|2.302891|17.586796|8.819709|6.563322|6.049785|0.121569|3.694399|3.645509|6.793214|3.187235|1.642190|1.483400|1.357316|0.088577|0.085764|0.070847|0.058493|0.053503|0.067285|0.104850|0.081376|0.122134|0.079002|0.092698|0.072160|0.058444|0.061685|0.063546|0.302065|0.500000| |2.498769|2.421584|2.107726|1.984545|2.093385|2.401272|2.637918|3.103904|5.113501|3.970859|4.353845|6.352424|12.584305|9.199656|4.740446|0.112239|4.675932|4.595564|4.049898|3.691897|3.703270|4.117207|5.603503|2.809989|5.619939|2.584260|8.877940|17.556493|8.833188|9.291471|0.217033|5.321051|4.715285|6.583905|3.130307|1.645269|1.482614|1.355826|0.076353|0.071419|0.061568|0.054664|0.054388|0.068355|0.125141|0.102421|0.105094|0.073433|0.083275|0.069179|0.066148|0.069186|0.068532|0.174456|0.221847|0.500000| |2.572045|2.562195|2.203967|2.101862|2.276784|2.682053|2.913408|3.592926|6.124145|4.562021|4.477582|5.857725|9.487127|10.128026|6.020009|0.136158|7.195327|7.136712|6.203098|5.565280|5.534224|6.199556|7.633440|3.598478|7.743211|3.354558|8.934203|17.670871|8.885072|9.508194|0.188103|6.844074|4.569028|6.470432|3.273082|1.729416|1.538226|1.410304|0.076399|0.074731|0.062601|0.056154|0.059374|0.078713|0.171428|0.143279|0.143317|0.093126|0.104703|0.085596|0.083008|0.088861|0.088236|0.204471|0.175615|0.302259|0.500000| |2.114398|2.051679|1.797702|1.709146|1.817264|2.083207|2.253698|2.704252|4.832392|3.183199|3.055177|3.780824|6.472620|6.473606|4.136334|0.110457|4.616406|4.087334|4.026090|4.429340|5.074225|5.211203|8.479712|4.209957|6.881884|3.085416|6.849303|8.777337|17.612763|12.410444|0.182817|7.254110|6.807530|4.630342|2.715610|1.440999|1.304072|1.212893|0.061626|0.062584|0.052960|0.046730|0.047790|0.060468|0.098378|0.096465|0.140994|0.100371|0.133717|0.102308|0.078783|0.077574|0.085181|0.214903|0.160502|0.172608|0.209853|0.500000| |2.064297|1.971605|1.740527|1.642084|1.718365|1.940827|2.113609|2.468017|4.271400|2.949551|3.006497|3.889542|7.225143|6.163479|3.620573|0.095649|3.681399|3.383901|3.228072|3.305008|3.551154|3.767489|5.901897|3.058166|5.286169|2.462138|6.719877|8.798609|17.609190|12.378406|0.216536|5.608955|7.522663|4.663513|2.629581|1.390546|1.269077|1.177174|0.061345|0.060275|0.052109|0.045752|0.045059|0.055338|0.086835|0.080985|0.103306|0.076437|0.095057|0.076828|0.064184|0.063616|0.067159|0.177082|0.189532|0.212666|0.173509|0.300824|0.500000| |2.042254|2.079643|1.850899|1.813223|1.980086|2.270014|2.352013|2.759924|4.881387|3.179040|3.085820|3.585844|6.133496|5.551415|3.800915|0.093162|4.778466|5.361039|6.305339|6.393911|5.411577|4.792779|8.093097|3.535891|10.450093|4.099069|4.618348|6.820303|6.941488|12.228947|0.224069|17.714361|5.621320|4.790063|2.879402|1.556085|1.396174|1.295573|0.059412|0.058699|0.050891|0.047432|0.053035|0.067870|0.128572|0.162010|0.111238|0.088241|0.097931|0.088005|0.105032|0.103565|0.102095|0.122661|0.107432|0.163726|0.247972|0.180378|0.141057|0.500000| |1.843750|1.853106|1.657549|1.618189|1.751057|1.988438|2.067059|2.418009|4.390477|2.712634|2.582670|2.967405|5.080213|4.703785|3.290735|0.085582|4.028986|4.072243|4.705919|5.653289|5.486278|4.555424|9.572950|4.127179|10.189015|4.132661|4.090451|5.379849|6.947316|12.294501|0.181199|17.653429|6.985299|4.035305|2.590795|1.401126|1.267373|1.186244|0.053033|0.053651|0.046481|0.042844|0.046995|0.059087|0.096757|0.118156|0.112373|0.096802|0.115836|0.105636|0.108899|0.098294|0.108050|0.118137|0.098187|0.125079|0.165312|0.219550|0.145933|0.300785|0.500000| |1.723679|1.745732|1.583034|1.557918|1.682276|1.882433|1.932165|2.197897|3.903454|2.462199|2.428577|2.774769|4.915310|4.143904|2.836439|0.072314|3.338590|3.600857|4.159790|4.434629|3.940579|3.460575|6.624061|3.021354|8.366725|3.564537|3.473214|4.695935|5.557635|12.315871|0.222933|17.646916|7.228801|3.894291|2.515310|1.370415|1.245807|1.165452|0.049975|0.049298|0.043679|0.041054|0.045486|0.055741|0.090719|0.114252|0.085575|0.074610|0.083801|0.079056|0.098059|0.088512|0.089381|0.094143|0.086567|0.122131|0.142532|0.146128|0.126582|0.299674|0.298773|0.500000| |1.670793|1.623891|1.468829|1.409192|1.475698|1.633645|1.732160|1.957936|3.419588|2.241797|2.287583|2.757511|5.170995|4.090139|2.597441|0.068828|2.734592|2.670340|2.709155|2.816998|2.872718|2.828726|5.000589|2.560672|4.852064|2.291637|3.772302|4.778075|7.064009|12.317017|0.224969|5.620108|17.649789|3.692296|2.291909|1.229579|1.133183|1.059533|0.049147|0.048086|0.042845|0.038827|0.039292|0.046823|0.069530|0.071177|0.076281|0.063653|0.076598|0.067326|0.061954|0.058660|0.061674|0.101880|0.104968|0.130745|0.115553|0.165842|0.229993|0.126019|0.142351|0.146724|0.500000| |1.573864|1.558225|1.419767|1.380536|1.460787|1.613321|1.680587|1.889030|3.329309|2.124484|2.139983|2.496300|4.583609|3.681849|2.432441|0.063823|2.667750|2.705235|2.881650|3.042162|2.969175|2.779326|5.219886|2.579013|5.502122|2.562322|3.222319|4.148239|5.578832|12.306988|0.222317|7.197795|17.644135|3.474662|2.250309|1.219167|1.121949|1.052453|0.045904|0.045081|0.040354|0.037341|0.039276|0.046791|0.069986|0.077524|0.072943|0.063723|0.074607|0.068777|0.070806|0.064728|0.067568|0.087734|0.085708|0.112296|0.110121|0.141217|0.149075|0.146336|0.174637|0.224007|0.299274|0.500000| |1.652640|1.620009|1.461567|1.410180|1.490830|1.661038|1.749908|2.001490|3.574141|2.255324|2.223895|2.614967|4.696257|4.022619|2.669978|0.071664|2.934805|2.837764|2.982648|3.283847|3.412240|3.202339|6.218387|3.122460|5.795044|2.694870|3.675938|4.559811|7.020385|12.366606|0.181566|7.004213|17.642534|3.546760|2.286330|1.230855|1.129551|1.060257|0.047946|0.048011|0.042285|0.038414|0.039843|0.048151|0.071519|0.077142|0.086275|0.074880|0.093435|0.083073|0.073129|0.066982|0.073205|0.105513|0.096969|0.114091|0.117750|0.203554|0.189004|0.142680|0.208139|0.175501|0.299241|0.299379|0.500000| |2.959558|3.758214|4.743616|7.008357|6.734318|4.569336|3.711079|2.921778|4.947690|2.499528|2.407076|2.018337|3.305739|2.620377|2.126732|0.056818|2.053665|2.135577|1.967085|1.779587|1.734861|1.848873|2.795747|1.532439|2.912033|1.641615|1.686077|1.614559|1.442994|1.875943|0.038713|1.426810|1.245255|4.560874|16.482183|17.545993|8.910322|7.238226|0.075253|0.074983|0.081461|0.119927|0.225462|0.112996|0.064321|0.054812|0.049397|0.045348|0.041491|0.039754|0.042419|0.049356|0.044905|0.045575|0.044575|0.044564|0.047411|0.039798|0.038047|0.042997|0.038950|0.037881|0.033700|0.033547|0.033999|0.500000| |3.008694|3.837658|4.845478|7.189982|6.880290|4.655550|3.790075|2.964960|4.840432|2.619524|2.612921|2.172406|3.592637|2.754973|2.195759|0.057479|2.113753|2.242023|2.053380|1.824169|1.755432|1.870874|2.802984|1.517320|2.981371|1.657527|1.762990|1.705464|1.509346|1.972332|0.041096|1.495715|1.301882|5.109403|16.582607|17.515696|8.939300|6.085368|0.079338|0.074448|0.081490|0.121823|0.226180|0.114323|0.069135|0.057915|0.049481|0.044426|0.041235|0.039248|0.042927|0.049798|0.044795|0.046962|0.046694|0.047674|0.050141|0.041180|0.039782|0.045320|0.040388|0.039823|0.035292|0.035158|0.035253|0.300894|0.500000| |2.696780|3.154708|4.051768|4.892169|4.004590|3.136021|2.871387|2.341119|3.842869|2.137467|2.179000|1.863989|3.148475|2.355741|1.832142|0.048876|1.731215|1.788561|1.645732|1.495045|1.462391|1.561098|2.374737|1.302850|2.463757|1.366061|1.533210|1.470732|1.318518|1.718075|0.035817|1.282800|1.150175|4.294683|13.030696|8.709625|17.683170|9.151908|0.071535|0.066332|0.077456|0.117856|0.113337|0.077276|0.054090|0.045963|0.042033|0.037941|0.035778|0.033952|0.035715|0.040342|0.037224|0.040931|0.041392|0.041347|0.042404|0.035924|0.035259|0.038308|0.034707|0.034252|0.031484|0.031048|0.031177|0.172448|0.204261|0.500000| |2.240669|2.621094|3.146234|3.871901|3.619183|2.882288|2.535493|2.134365|3.671729|1.900207|1.858035|1.616630|2.701801|2.108712|1.674045|0.045219|1.625788|1.678877|1.578852|1.456493|1.423907|1.496999|2.338327|1.289531|2.427797|1.376510|1.389620|1.339793|1.218549|1.596836|0.032955|1.209085|1.075197|3.503711|8.848571|6.919439|9.086869|17.689721|0.058079|0.057710|0.063382|0.086314|0.111589|0.074485|0.049727|0.044180|0.040349|0.037876|0.034996|0.033875|0.036079|0.040993|0.037749|0.037716|0.037145|0.037116|0.038944|0.033620|0.032407|0.035989|0.033069|0.032380|0.029210|0.029117|0.029400|0.216504|0.155501|0.173410|0.500000| 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