Version2.0 2020-04-13T09:27:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 23-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@H](C)NC(=O)Cn1c(=O)c2c(nc1c3ccc(cc3)C(F)(F)F)C[NH+](CC2)Cc4ccccc4 C35456603 RHF 6-31G(d) (6D,7F) CC[C@H](C)NC(=O)Cn1c(=O)c2c(nc1c3ccc(cc3)C(F)(F)F)C[NH+](CC2)Cc4ccccc4 C01[X(C27H30F3N4O2)] 192 C1 600 CC[C@@H](NC(=O)Cn1c(nc2c(c1=O)CC[NH+](C2)Cc1ccccc1)c1ccc(cc1)C(F)(F)F)C CC[C@@H](NC(=O)Cn1c(nc2c(c1=O)CC[NH+](C2)Cc1ccccc1)c1ccc(cc1)C(F)(F)F)C CC[C@H](C)NC(=O)CN1C(=O)C2=C(C[NH+](CC2)Cc3ccccc3)N=C1c4ccc(cc4)C(F)(F)F InChIKey=XCRMBZBAQRRWHB-SFHVURJKSA-O InChI=1S/C27H29F3N4O2/c1-3-18(2)31-24(35)17-34-25(20-9-11-21(12-10-20)27(28,29)30)32-23-16-33(14-13-22(23)26(34)36)15-19-7-5-4-6-8-19/h4-12,18H,3,13-17H2,1-2H3,(H,31,35)/p+1/t18-/m0/s1 InChI=1/C27H29F3N4O2/c1-3-18(2)31-24(35)17-34-25(20-9-11-21(12-10-20)27(28,29)30)32-23-16-33(14-13-22(23)26(34)36)15-19-7-5-4-6-8-19/h4-12,18H,3,13-17H2,1-2H3,(H,31,35)/p+1/t18-/m0/s1/fC27H30F3N4O2/h31,33H/q+1 CC[C@H](C)NC(=O)Cn1c(=O)c2c(nc1c3ccc(cc3)C(F)(F)F)C[NH+](CC2)Cc4ccccc4 C01[X(C27H30F3N4O2)] 192 C01 600 CC[C@@H](NC(=O)Cn1c(nc2c(c1=O)CC[NH+](C2)Cc1ccccc1)c1ccc(cc1)C(F)(F)F)C CC[C@@H](NC(=O)CN1[C@@H](NC2=C(C1=O)CC[NH](C2)Cc1ccccc1)c1ccc(cc1)C(F)(F)F)C CC[C@H](C)NC(=O)CN1[C@@H](NC2=C(CC[NH](Cc3ccccc3)C2)C1=O)c4ccc(cc4)C(F)(F)F InChIKey=YRDXCQYYQWPWAZ-AVRWGWEMSA-N InChI=1S/C27H32F3N4O2/c1-3-18(2)31-24(35)17-34-25(20-9-11-21(12-10-20)27(28,29)30)32-23-16-33(14-13-22(23)26(34)36)15-19-7-5-4-6-8-19/h4-12,18,25,32-33H,3,13-17H2,1-2H3,(H,31,35)/t18-,25+/m0/s1 InChI=1/C27H32F3N4O2/c1-3-18(2)31-24(35)17-34-25(20-9-11-21(12-10-20)27(28,29)30)32-23-16-33(14-13-22(23)26(34)36)15-19-7-5-4-6-8-19/h4-12,18,25,32-33H,3,13-17H2,1-2H3,(H,31,35)/t18-,25+/m0/s1/f/h31H 3830.9613255677 -1705.6353942 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5546.22 0.584331 0.615317 0.616261 0.514777 -1705.051063 -1705.020077 -1705.019133 -1705.120617 3.403790D-04 MUNgauss RevisionA2.0 retrievium 13-Apr-2020 DUDE CC[C@H](C)NC(=O)Cn1c(=O)c2c(nc1c3ccc(cc3)C(F)(F)F)C[NH+](CC2)Cc4ccccc4 C35456603 RHF 6-31G(d) (6D,10F) C1 499.232086 |X|Y|Z| 119.093905 91.343557 40.332346 75.987178 23 6 7 20 3 |36.858105| |12.469172|36.858105| |7.411441|12.429958|36.858105| |6.901116|8.879982|17.638064|0.500000| |4.863621|7.508965|12.471504|0.246995|36.858105| |6.256420|7.705405|13.005942|0.259369|7.797842|53.358707| |5.377009|5.509451|7.688035|0.210296|5.358033|19.408044|36.858105| |5.171042|4.974342|6.642285|0.218746|4.730271|11.488693|15.825076|73.516695| |4.057958|4.062735|4.984966|0.131545|4.054692|10.736340|12.449146|14.273697|36.858105| |3.603544|3.379027|3.887173|0.108343|3.199206|7.158206|7.768492|12.497395|13.054366|53.358707| |3.880008|3.402650|3.645687|0.101108|2.937182|6.374772|6.249144|10.494956|7.950218|18.586303|36.858105| |4.643883|3.914168|3.988197|0.106897|3.128218|7.005113|6.305924|9.912273|7.247868|11.471389|15.885664|73.516695| |3.193220|2.786676|2.926138|0.082937|2.436701|4.765909|4.396314|8.003900|5.129995|10.802112|13.131817|14.459600|36.858105| |2.738686|2.469435|2.656334|0.076341|2.272434|4.265428|3.940323|7.385848|4.620742|9.730016|7.977883|9.667162|14.239537|36.858105| |2.647235|2.469749|2.753109|0.079493|2.392927|4.486690|4.247293|7.975827|5.179222|11.144776|6.819908|8.484685|7.971438|14.013280|53.358707| |2.959377|2.818832|3.252718|0.093149|2.800924|5.574873|5.615260|10.135301|7.641179|19.044545|7.918914|9.690373|6.989377|8.399485|20.150970|36.858105| |2.655590|2.641507|3.144671|0.090265|2.838496|5.288179|5.064377|9.057392|6.472712|10.446561|5.043969|7.142202|4.513881|5.250686|10.946367|12.737939|36.858105| |2.749793|2.802387|3.472274|0.102691|3.183159|5.673568|5.396594|10.223954|5.875056|8.122566|4.240612|6.369590|3.747188|4.149159|7.612883|7.579578|13.715097|36.858105| |2.381634|2.481518|3.048183|0.089288|2.954122|4.756352|4.128423|7.599909|4.363604|5.763115|3.262737|5.105445|2.964072|3.258235|5.664271|5.043261|7.946103|13.763228|36.858105| |2.087473|2.166896|2.581133|0.073825|2.536256|4.020515|3.381742|6.016610|3.757895|5.061498|2.937503|4.613155|2.728732|3.034644|5.253655|4.471561|6.886932|7.938859|13.751321|36.858105| |2.044838|2.089390|2.437020|0.068763|2.350728|3.874381|3.293215|5.747006|3.897148|5.495348|3.166422|4.879669|2.983846|3.391962|6.042274|5.070620|7.937016|6.857744|7.927724|13.748155|36.858105| |2.261753|2.267678|2.634520|0.074272|2.457839|4.316782|3.832351|6.655914|4.851589|7.412378|4.032865|5.940804|3.788520|4.442723|8.638601|7.682098|13.722400|7.914682|6.874695|7.953775|13.775957|36.858105| |1.838815|1.925769|2.262390|0.064502|2.286035|3.408077|2.751478|4.895562|2.953288|3.922213|2.386677|3.844526|2.245237|2.458860|4.054264|3.303877|4.458630|5.041130|7.607140|12.641540|7.610324|5.046985|36.858105| |1.705619|1.764737|2.042600|0.058862|2.045305|3.025869|2.448967|4.454445|2.587206|3.536474|2.201997|3.538833|2.122069|2.353373|3.845213|3.010749|3.896746|4.332688|5.998901|8.148769|6.010206|4.344801|14.406119|97.533100| |1.710513|1.793035|2.075096|0.058214|2.110424|3.136080|2.489368|4.337045|2.726493|3.606868|2.226640|3.619128|2.099520|2.281624|3.698648|2.984267|3.868764|4.048711|5.338425|8.139117|6.905145|4.620566|14.419365|20.142049|97.533100| |1.869100|1.991442|2.366556|0.067583|2.455279|3.494073|2.754715|4.897468|2.852746|3.669456|2.254811|3.696467|2.092986|2.244058|3.616497|2.978490|3.868418|4.620202|6.904444|8.137798|5.336298|4.049465|14.423550|20.140291|20.088001|97.533100| |2.324350|2.101484|2.223152|0.064138|1.942040|3.438696|3.032439|5.730550|3.387623|6.225685|5.007237|7.017429|7.645674|12.651331|10.847601|5.310567|4.012674|3.343296|2.782507|2.656634|2.955604|3.663471|2.224245|4.916799|4.679317|4.553122|36.858105| |2.333032|2.062272|2.123257|0.061210|1.843650|3.216909|2.767658|5.235668|2.978006|5.200445|4.496050|6.765663|6.806228|7.683698|7.053544|4.031365|3.162320|2.768416|2.349849|2.228193|2.417627|2.884440|1.911496|4.231525|4.043502|3.986932|12.728807|53.358707| |2.488012|2.170055|2.229160|0.065076|1.916531|3.338032|2.885688|5.598586|3.004905|5.197539|4.509694|6.864928|6.567316|7.024406|6.741835|3.973843|3.132596|2.818526|2.378575|2.215203|2.357369|2.786304|1.902543|4.219427|3.985806|4.003977|9.377978|25.680191|0.500000| |2.475141|2.159358|2.179802|0.061735|1.880113|3.332658|2.825318|5.177205|3.084299|5.319396|4.975930|7.830327|7.651008|6.751183|6.220904|3.828747|2.971936|2.592040|2.203619|2.096485|2.281715|2.723491|1.804510|3.937698|3.860469|3.792202|7.712127|17.247153|0.258679|36.858105| |3.062049|2.600359|2.612120|0.073613|2.189923|4.081296|3.529122|6.407376|3.860336|6.859900|7.503939|11.855348|12.676503|7.601729|6.860016|4.505363|3.328779|2.907141|2.408912|2.245823|2.422776|2.932169|1.907914|4.100550|4.056775|4.044684|6.401109|10.454513|0.204909|12.523963|36.858105| |1.985474|1.778709|1.821409|0.052429|1.611493|2.710087|2.274162|4.278118|2.419643|4.024774|3.319584|5.216161|4.438117|4.961115|5.304074|3.148533|2.630811|2.348080|2.057870|1.983099|2.143993|2.481557|1.738667|3.901711|3.705923|3.626117|7.595046|17.112765|0.258673|7.599704|4.969789|36.858105| |1.865849|1.688497|1.745000|0.050779|1.556550|2.564377|2.150072|4.112497|2.247543|3.679588|2.911366|4.576087|3.693961|4.275842|4.953566|2.954029|2.556677|2.331329|2.069330|1.990522|2.124720|2.414943|1.759701|4.012253|3.719655|3.667458|6.238684|10.331437|0.202179|4.961305|3.842142|12.651356|36.858105| |1.890305|1.699319|1.746186|0.051292|1.553840|2.524326|2.103532|4.083029|2.139613|3.437866|2.721949|4.358333|3.343365|3.708018|4.387164|2.711442|2.375625|2.229058|1.986411|1.883688|1.969245|2.207681|1.678128|3.836740|3.522371|3.540405|4.830969|8.040149|0.183785|4.232347|3.515317|7.599973|13.686223|36.858105| |1.750413|1.593527|1.647405|0.048648|1.482044|2.356307|1.949822|3.802934|1.963192|3.093961|2.382907|3.839632|2.813422|3.132334|3.906391|2.462958|2.229133|2.132901|1.934511|1.836857|1.896960|2.085682|1.657035|3.838094|3.463829|3.504616|3.867154|5.799272|0.129794|3.270077|2.861436|5.036299|7.912519|13.771220|36.858105| |1.619725|1.496093|1.560985|0.045939|1.419866|2.242096|1.853119|3.587981|1.887124|2.962751|2.231159|3.572688|2.603553|2.968404|3.830662|2.405454|2.226622|2.123609|1.954551|1.882580|1.952935|2.124879|1.710394|4.011603|3.582479|3.585708|3.675996|5.128639|0.108937|2.932093|2.576805|4.447417|6.858265|7.944620|13.733953|36.858105| |1.602334|1.486916|1.558093|0.045508|1.420181|2.266717|1.881608|3.601787|1.956476|3.107014|2.327488|3.683606|2.753350|3.228217|4.179232|2.564068|2.368448|2.207072|2.029711|1.985702|2.100315|2.302884|1.794245|4.207233|3.785145|3.712591|4.181333|5.584844|0.112184|3.139445|2.692854|5.024825|7.918153|6.875040|7.931206|13.753906|36.858105| |1.708469|1.572581|1.641816|0.047679|1.483778|2.416620|2.020073|3.839970|2.132570|3.458924|2.642514|4.137076|3.247121|3.875094|4.790849|2.851114|2.548862|2.316122|2.091495|2.046731|2.201401|2.472548|1.822244|4.207975|3.864131|3.757413|5.499382|7.505103|0.142005|3.962966|3.218484|7.564656|13.714295|7.932846|6.868954|7.939447|13.748573|36.858105| |17.571230|8.749922|6.651639|0.168945|4.435712|9.329636|6.246500|10.149516|4.825030|5.843917|4.836184|11.100900|3.790373|3.131579|4.058139|3.365704|2.921188|2.946732|2.499062|2.199274|2.187885|2.467164|1.910443|3.971047|4.010780|4.316900|2.591816|3.534081|0.076506|2.808977|3.607924|2.167284|2.005508|2.008954|1.836868|1.698382|1.694102|1.827302|0.500000| |17.547281|8.785567|6.743019|0.205151|4.522898|7.589728|5.234833|9.911864|3.865257|4.851447|3.813620|7.732752|3.230321|2.809907|3.696821|3.001065|2.693270|2.832862|2.442309|2.114950|2.054480|2.269358|1.861754|3.919188|3.857596|4.260383|2.402260|3.294880|0.072945|2.516107|3.088624|2.058169|1.956634|2.008207|1.867553|1.716176|1.681623|1.783101|0.301708|0.500000| |17.557002|8.819836|5.441925|0.141102|4.060426|6.434014|4.156683|7.139994|3.380413|4.197702|3.378649|7.188803|2.881468|2.475744|3.216308|2.585682|2.327978|2.383650|2.098459|1.869120|1.841507|2.023511|1.666094|3.498967|3.515769|3.804925|2.147578|2.983911|0.064744|2.350665|2.864688|1.891198|1.771611|1.801262|1.667416|1.538530|1.518281|1.618028|0.301953|0.301587|0.500000| |8.834111|17.495476|8.859851|0.174219|6.846897|9.535407|4.923885|7.523457|3.931871|4.389493|3.260280|6.783960|2.662955|2.351484|3.194931|2.677872|2.516164|2.619641|2.343920|2.084899|2.031051|2.199802|1.862428|3.820878|3.951829|4.322883|2.006350|2.679073|0.056850|2.087416|2.504117|1.706058|1.607908|1.605230|1.501669|1.416169|1.416356|1.503010|0.210005|0.172771|0.212663|0.500000| |8.865836|17.535709|8.934485|0.211656|7.074983|7.653133|4.362322|7.391563|3.350516|3.913190|2.884791|5.744365|2.445029|2.204394|3.005531|2.478524|2.360248|2.530035|2.288786|2.006731|1.918446|2.051814|1.811940|3.764321|3.795266|4.251897|1.913651|2.570435|0.055343|1.959588|2.311199|1.651477|1.582091|1.604542|1.517655|1.425584|1.408217|1.477524|0.172839|0.210722|0.214490|0.304281|0.500000| |4.474067|6.791968|8.772894|0.173359|17.526351|9.495846|4.769527|7.199378|3.893076|4.145596|2.820620|5.416447|2.336323|2.167174|3.089838|2.649013|2.676496|2.918093|2.731416|2.409046|2.267061|2.366799|2.186369|4.379991|4.624121|5.254441|1.857018|2.404008|0.050558|1.821056|2.116440|1.549640|1.486691|1.475067|1.402515|1.346972|1.354179|1.419874|0.116532|0.110618|0.107801|0.202759|0.173962|0.500000| |4.556001|6.862308|8.816164|0.211839|17.570125|7.653646|4.287875|7.161617|3.344505|3.766341|2.592040|4.893045|2.206129|2.067893|2.938483|2.471652|2.500094|2.802011|2.642487|2.287155|2.113569|2.189938|2.098886|4.286442|4.362066|5.098437|1.797292|2.345368|0.049969|1.750162|2.016350|1.520778|1.477824|1.486888|1.426630|1.364579|1.356009|1.408147|0.110529|0.121184|0.109706|0.169005|0.213006|0.301926|0.500000| |4.032539|5.473134|8.796555|0.213971|17.570441|9.661677|5.385107|8.580602|4.169283|4.451720|2.900269|5.325962|2.421015|2.303347|3.374865|2.934588|3.083674|3.577284|3.394925|2.862957|2.589805|2.664139|2.582889|5.130042|5.302812|6.365311|1.966880|2.505773|0.053011|1.855340|2.140999|1.612048|1.567801|1.559952|1.495849|1.443603|1.447963|1.506707|0.106135|0.108126|0.094534|0.140173|0.143299|0.300877|0.301128|0.500000| |5.496474|6.803836|9.015756|0.180559|6.975386|26.023986|9.479503|10.863180|7.603284|6.737081|4.470212|8.978830|3.341774|2.974779|4.234547|3.839665|3.655544|3.775295|3.243737|2.836856|2.783566|3.092240|2.425844|4.813152|5.121971|5.571977|2.412388|3.075441|0.064250|2.377054|2.896926|1.915651|1.797776|1.755381|1.634473|1.561777|1.589160|1.700638|0.171410|0.130068|0.122829|0.200254|0.140871|0.202654|0.141456|0.174763|0.500000| |4.094893|4.101911|4.725771|0.118420|3.903859|10.026902|8.779475|10.600600|17.665454|12.555509|7.491047|14.144408|4.839552|4.171102|5.993932|5.861916|4.993698|4.475263|3.588217|3.237729|3.415580|4.143740|2.635337|5.219673|5.620368|5.745522|3.143654|3.858574|0.078492|3.042696|3.838544|2.323728|2.125874|2.016717|1.840863|1.766225|1.835149|2.010629|0.138940|0.103700|0.096748|0.115806|0.092824|0.108991|0.089636|0.107742|0.231308|0.500000| |3.440363|3.590911|4.514335|0.119734|3.976758|9.071497|8.900222|11.658882|17.675176|12.451210|5.781689|9.236827|4.259515|4.118793|6.670562|7.300996|7.670350|7.065466|5.294428|4.557034|4.701251|5.794226|3.462236|6.597877|7.171231|7.494892|3.134179|3.687051|0.075301|2.748626|3.283068|2.252336|2.123195|2.014231|1.872213|1.824920|1.901424|2.052293|0.108244|0.091972|0.081255|0.097413|0.084804|0.106770|0.090912|0.119254|0.183892|0.301977|0.500000| |3.125150|3.170430|4.036296|0.124450|3.572155|6.522024|6.536397|13.901758|6.183057|8.339586|4.473520|6.810469|3.871180|4.140766|7.165136|6.984738|8.898005|17.745965|8.922413|5.648319|4.946303|5.635239|4.107460|8.242029|7.590166|8.980128|3.312173|3.832439|0.081441|2.639791|3.020542|2.365417|2.351828|2.290059|2.189245|2.144837|2.191100|2.294130|0.092394|0.091262|0.073840|0.080242|0.079183|0.088232|0.087167|0.111392|0.114488|0.127386|0.188469|0.500000| |2.354734|2.488448|3.085969|0.091803|3.065824|4.625371|3.878665|7.276827|3.838959|4.946210|2.912303|4.669280|2.651198|2.858630|4.758624|4.104970|5.653929|8.941266|17.750134|8.914086|5.643029|4.955457|7.046654|13.132045|10.987591|17.320064|2.487665|2.929026|0.061118|2.021230|2.206649|1.903795|1.929074|1.878926|1.848171|1.861995|1.907603|1.942843|0.067375|0.067606|0.057677|0.064751|0.064695|0.077525|0.077203|0.099897|0.086607|0.089339|0.124965|0.215621|0.500000| |1.851477|1.891193|2.168632|0.060725|2.113051|3.401495|2.818689|4.887191|3.307959|4.653654|2.793622|4.373594|2.676540|3.022200|5.165671|4.131579|5.648773|4.946698|5.642542|8.910556|17.750833|8.935300|7.048583|13.157766|17.319678|10.984473|2.715439|3.056793|0.060282|2.130919|2.225716|2.028345|2.009680|1.852643|1.790309|1.858540|2.013663|2.105071|0.054859|0.051440|0.046816|0.051497|0.048536|0.057235|0.053228|0.064109|0.068794|0.083447|0.107894|0.107455|0.124109|0.500000| |2.158750|2.138637|2.426075|0.067734|2.252716|3.964212|3.464617|5.950463|4.464408|7.110924|4.069819|5.965475|3.955329|4.710617|8.907601|7.133743|8.904887|5.635832|4.954617|5.655881|8.936085|17.738174|4.111792|8.271506|8.977218|7.588643|3.937926|4.147077|0.079741|2.904956|3.072234|2.627687|2.513161|2.251097|2.102705|2.148823|2.368119|2.588718|0.065923|0.059764|0.054210|0.058171|0.053721|0.060963|0.056050|0.066668|0.080178|0.111234|0.140499|0.123972|0.107596|0.215696|0.500000| |2.114037|1.937636|2.045709|0.058353|1.814154|3.167662|2.741631|5.052292|3.126304|5.572811|4.366325|6.299404|6.135540|8.881376|9.237116|4.755191|3.768160|3.091282|2.637977|2.592545|2.952430|3.642452|2.189742|4.846663|4.680292|4.440064|17.600022|12.367586|0.182191|6.823758|5.399308|7.145979|5.724808|4.257239|3.499562|3.456077|4.103104|5.519617|0.065247|0.059948|0.054674|0.051973|0.049157|0.048639|0.046642|0.051149|0.062663|0.082166|0.081968|0.082962|0.065214|0.077014|0.113358|0.500000| |2.221888|2.026632|2.164663|0.063245|1.905219|3.301659|2.910180|5.630597|3.166482|5.647472|4.285602|6.134252|5.837343|8.948734|10.158491|5.022449|4.028595|3.448873|2.896412|2.751349|3.018273|3.668570|2.310070|5.193378|4.799185|4.711315|17.671363|12.328848|0.229786|5.624595|4.937971|6.898537|6.983250|5.444346|4.489669|4.365675|5.029115|6.514760|0.067714|0.064584|0.056886|0.053329|0.051721|0.050217|0.049254|0.054011|0.063693|0.080127|0.082987|0.095010|0.072248|0.076685|0.106534|0.301706|0.500000| |2.279564|2.027700|2.057384|0.057690|1.798757|3.169388|2.663713|4.782467|2.990366|5.115820|4.612621|7.257468|6.665246|6.279234|6.075325|3.736290|2.941830|2.519299|2.164136|2.096051|2.319957|2.777013|1.807648|3.936980|3.908935|3.771109|7.243722|12.435480|0.182147|17.612362|8.776738|6.842124|4.537525|3.729933|2.971738|2.756593|3.033772|3.857502|0.071688|0.063547|0.060256|0.055071|0.051139|0.048801|0.046381|0.049518|0.063666|0.083076|0.075190|0.069877|0.054762|0.060886|0.084353|0.210314|0.145030|0.500000| |2.365576|2.050557|2.036705|0.057672|1.764716|3.054341|2.534114|4.650508|2.696659|4.454291|4.073946|6.782114|5.560902|4.941742|4.978884|3.174929|2.558357|2.286275|1.975348|1.880367|2.022449|2.361389|1.641975|3.598597|3.521725|3.477235|5.627120|12.343882|0.218220|17.637821|8.793142|7.301686|4.787872|4.263620|3.259843|2.862083|3.002011|3.731973|0.073677|0.066922|0.063467|0.055135|0.052172|0.047560|0.046041|0.048083|0.060603|0.074530|0.067166|0.065088|0.050939|0.052829|0.069285|0.143246|0.126515|0.301045|0.500000| |3.362496|2.759260|2.721562|0.077629|2.248440|4.148634|3.554799|6.631311|3.660181|6.210316|6.556536|11.268938|8.897679|6.057767|5.956764|4.039569|3.080785|2.792079|2.323022|2.134981|2.255130|2.676739|1.828569|3.943765|3.862124|3.920090|5.313550|9.030685|0.204524|8.829039|17.531507|4.578736|3.707672|3.582538|2.923456|2.570312|2.611262|3.051291|0.109724|0.096131|0.087875|0.072714|0.068379|0.059834|0.057996|0.060490|0.080464|0.100067|0.086052|0.082543|0.059996|0.057369|0.076117|0.122463|0.123590|0.173225|0.219047|0.500000| |3.081788|2.622165|2.587592|0.071404|2.179363|4.065803|3.412883|5.959331|3.794070|6.398101|6.980154|12.586210|8.931981|5.818816|5.831595|4.038680|3.075517|2.691880|2.261840|2.129005|2.303078|2.761862|1.822583|3.888904|3.916874|3.879941|4.945770|7.624749|0.146275|8.935682|17.588367|4.117391|3.240667|2.978006|2.482837|2.266566|2.372484|2.794757|0.102226|0.083898|0.081286|0.071533|0.064383|0.059334|0.055595|0.058687|0.082067|0.109942|0.089352|0.077075|0.057698|0.059302|0.081009|0.125740|0.109945|0.218419|0.205779|0.305442|0.500000| |1.969163|1.749110|1.766000|0.050707|1.560741|2.602411|2.155043|4.039110|2.262711|3.686074|3.091927|5.013836|4.017474|4.179928|4.529141|2.797818|2.357018|2.135150|1.882545|1.808114|1.936399|2.216804|1.598917|3.578210|3.418093|3.365484|5.607753|12.429931|0.221533|7.346804|4.821452|17.627136|8.873057|7.047957|4.704752|3.988521|4.244793|5.730401|0.059526|0.056660|0.052682|0.046680|0.045277|0.041782|0.041112|0.043060|0.051213|0.061039|0.058171|0.060274|0.048812|0.051012|0.064753|0.146590|0.141794|0.176416|0.236913|0.128632|0.113934|0.500000| |1.867142|1.691433|1.735967|0.049552|1.549323|2.599170|2.168416|4.014610|2.350169|3.890378|3.165542|4.979509|4.158889|4.699504|5.155129|3.063507|2.587239|2.276665|2.012877|1.970791|2.161190|2.501488|1.732700|3.884909|3.729908|3.589841|7.078731|12.378211|0.182019|6.899261|4.547532|17.630555|8.812875|5.604191|4.182072|3.964353|4.725322|7.172235|0.056698|0.053192|0.049477|0.045444|0.043583|0.041655|0.040512|0.043158|0.051529|0.063258|0.061352|0.062730|0.051430|0.057447|0.075013|0.220851|0.171651|0.203435|0.178549|0.111731|0.109579|0.301697|0.500000| |1.999160|1.772363|1.800005|0.052905|1.589011|2.586903|2.146123|4.172929|2.157486|3.447645|2.791980|4.542161|3.423782|3.627280|4.202112|2.649299|2.296139|2.168224|1.921749|1.807687|1.879450|2.110172|1.609995|3.651457|3.381241|3.424491|4.503214|8.054660|0.197697|4.472405|3.755025|7.030853|8.867951|17.674686|8.945787|5.652181|4.950216|5.633217|0.059016|0.059256|0.053230|0.046392|0.046510|0.041877|0.042342|0.043980|0.049882|0.056808|0.055786|0.062613|0.050730|0.048961|0.059551|0.108496|0.133194|0.105361|0.130932|0.110402|0.087955|0.207944|0.141773|0.500000| |1.735766|1.577938|1.623400|0.048152|1.462171|2.294302|1.883600|3.690924|1.867883|2.900167|2.233126|3.647438|2.580884|2.803847|3.528111|2.277489|2.078849|2.021792|1.843890|1.738996|1.774706|1.933880|1.579853|3.659345|3.295667|3.372727|3.306262|4.965741|0.113222|2.929703|2.639285|4.106721|5.636389|8.930630|17.734659|8.905512|5.643040|4.951306|0.050138|0.051783|0.046115|0.041150|0.042027|0.038329|0.039347|0.040891|0.044070|0.048696|0.049438|0.058206|0.049449|0.046469|0.053682|0.082979|0.104075|0.073589|0.082228|0.076387|0.064241|0.111379|0.096336|0.216263|0.500000| 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