Version2.1 2021-01-10T14:59:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Dec-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)[C@H](C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)NC(=O)c2ccccc2 C60104266 RHF 6-31G(d) (6D,7F) CC[C@H](C)[C@H](C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)NC(=O)c2ccccc2 C01[X(C24H33N3O4S1)] 189 C1 550 CC[C@@H]([C@H](C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)NC(=O)c1ccccc1)C CC[C@@H]([C@H](C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)NC(=O)c1ccccc1)C CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc2ccccc2[S](=O)(=O)NC(C)(C)C InChIKey=GRGGQQYYGMPCHW-LAUBAEHRSA-N InChI=1S/C24H33N3O4S/c1-6-17(2)21(26-22(28)18-12-8-7-9-13-18)23(29)25-16-19-14-10-11-15-20(19)32(30,31)27-24(3,4)5/h7-15,17,21,27H,6,16H2,1-5H3,(H,25,29)(H,26,28)/t17-,21+/m0/s1 InChI=1/C24H33N3O4S/c1-6-17(2)21(26-22(28)18-12-8-7-9-13-18)23(29)25-16-19-14-10-11-15-20(19)32(30,31)27-24(3,4)5/h7-15,17,21,27H,6,16H2,1-5H3,(H,25,29)(H,26,28)/t17-,21+/m0/s1/f/h25-26H CC[C@H](C)[C@H](C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)NC(=O)c2ccccc2 C01[X(C24H33N3O4S1)] 189 C01 550 CC[C@@H]([C@H](C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)NC(=O)c1ccccc1)C CC[C@@H]([C@H](C(=O)NC[C]1[CH][CH][CH][CH][C]1[S@]([O])(=O)NC(C)(C)C)NC(=O)[C]1[CH][CH][CH][CH][CH]1)C CC[C@H](C)[C@@H](NC(=O)[C]1[CH][CH][CH][CH][CH]1)C(=O)NC[C]2[CH][CH][CH][CH][C]2[S]([O])(=O)NC(C)(C)C InChIKey=OZUYKBUMMWMEQC-LAUBAEHRSA-N InChI=1S/C24H33N3O4S/c1-6-17(2)21(26-22(28)18-12-8-7-9-13-18)23(29)25-16-19-14-10-11-15-20(19)32(30,31)27-24(3,4)5/h7-15,17,21H,6,16H2,1-5H3,(H,25,29)(H,26,28)(H,27,30,31)/t17-,21+/m0/s1 InChI=1/C24H33N3O4S/c1-6-17(2)21(26-22(28)18-12-8-7-9-13-18)23(29)25-16-19-14-10-11-15-20(19)32(30,31)27-24(3,4)5/h7-15,17,21H,6,16H2,1-5H3,(H,25,29)(H,26,28)(H,27,30,31)/t17-,21+/m0/s1/f/h25-27H 3534.5967490558 -1788.3501658 1-A 21052.8595 123 427 550 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1631.51 1636.34 1647.51 1658.11 1666.94 1672.96 1686.16 1690.09 1705.98 1756.15 1763.77 1767.36 1772.68 1794.22 1820.87 1861.03 1873.83 1878.77 1891.22 1915.26 1934.57 1946.65 1964.74 1980.32 1987.83 2002.53 2025.64 2036.31 2068.23 2073.04 2090.00 2117.89 2122.85 2157.07 2196.41 2209.09 2215.27 2241.38 2243.95 2258.76 2263.46 2280.37 2306.14 2318.95 2319.96 2337.79 2350.49 2354.29 2356.46 2365.79 2370.34 2371.43 2376.59 2376.98 2383.95 2390.21 2390.77 2397.27 2402.30 2446.41 2486.97 2548.63 2564.37 2589.15 2605.40 2755.69 2780.09 4592.56 4599.02 4608.26 4609.08 4618.53 4622.70 4640.22 4661.71 4686.35 4692.18 4706.53 4707.92 4721.00 4725.48 4738.55 4743.27 4751.35 4760.75 4765.42 4781.65 4820.19 4832.60 4849.13 4850.04 4865.77 4874.61 4879.84 4890.12 4910.95 4932.57 5451.21 5564.76 5570.01 0.588857 0.619638 0.620582 0.523306 -1787.761308 -1787.730528 -1787.729583 -1787.826860 3.262687D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2021 DUDE CC[C@H](C)[C@H](C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)NC(=O)c2ccccc2 C60104266 RHF 6-31G(d) (6D,10F) C1 459.219179 |X|Y|Z| 44.022074 47.618743 129.797266 64.799451 18 6 7 16 2 |36.858105| |12.455009|36.858105| |7.362165|12.393052|36.858105| |6.973939|8.936389|17.502635|0.500000| |4.873112|7.550086|12.428273|0.247957|36.858105| |5.995981|7.425592|12.272412|0.247677|7.452692|36.858105| |6.859282|6.980857|8.818274|0.213138|5.478194|17.640327|0.500000| |4.242112|4.879974|7.518418|0.198145|6.215849|12.455011|0.248155|36.858105| |3.449637|4.021303|5.687606|0.145330|5.611379|7.956993|0.168132|15.775260|73.516695| |4.042470|4.287187|6.100238|0.191367|4.940323|7.840670|0.204514|14.170662|15.084765|53.358707| |3.125516|3.286975|4.332101|0.134564|3.932443|5.011686|0.131702|7.789818|12.145596|17.915477|36.858105| |2.891435|3.113478|4.074895|0.130233|3.984813|4.193113|0.106847|5.796728|9.681810|10.465759|12.517014|36.858105| |2.619067|2.915419|3.790600|0.114673|4.047227|3.844517|0.094508|5.204875|9.815177|7.801320|7.631567|13.726999|36.858105| |2.373265|2.646529|3.306714|0.099885|3.663264|3.182751|0.079103|3.930820|7.301126|5.702933|5.024255|7.869968|13.736939|36.858105| |2.334526|2.551083|3.098297|0.096455|3.333468|2.892814|0.073703|3.413124|6.020805|5.131499|4.402137|6.785312|7.936762|13.792555|36.858105| |2.519925|2.679439|3.246284|0.105198|3.298280|3.028728|0.079011|3.559233|5.979493|5.702105|4.945356|7.842291|6.900227|7.975263|13.757848|36.858105| |2.815419|2.954320|3.692871|0.122591|3.563886|3.576525|0.094220|4.417462|7.141579|7.788152|7.365518|13.597535|7.991275|6.904460|7.933341|13.736758|36.858105| |2.946144|2.905355|3.449018|0.116636|3.107567|3.363678|0.094123|3.883397|5.999998|7.065515|5.919804|6.829139|4.701100|4.200058|4.754821|7.053956|10.707868|388.023441| |2.676251|2.628094|2.993694|0.099723|2.767900|2.816742|0.078572|3.101397|4.914910|5.205519|4.151418|4.888580|3.835426|3.738657|4.534395|6.748431|7.354014|94.652731|73.516695| |3.682121|3.501986|4.186826|0.147803|3.497207|4.119120|0.120016|4.605665|6.649358|8.884927|6.286594|6.068829|4.271359|3.671969|3.894113|5.122188|7.275108|94.115373|13.670998|73.516695| |2.528136|2.463334|2.863487|0.091792|2.596405|2.952085|0.084044|3.458493|5.520630|6.197086|5.617835|5.675378|4.115633|3.609361|3.875491|5.105379|6.965667|82.472513|13.329000|13.936049|53.358707| |2.123004|2.074081|2.351762|0.073577|2.187765|2.404238|0.068025|2.754080|4.548196|4.619432|4.085717|4.283381|3.435925|3.183695|3.483699|4.391488|5.143735|48.466363|10.964277|8.865850|17.426914|36.858105| |2.042906|1.960031|2.161758|0.067589|1.998693|2.172537|0.062167|2.396039|3.927846|3.918245|3.237633|3.361307|2.792097|2.658225|2.950298|3.659729|4.036858|39.668431|10.625603|7.882394|10.390070|12.422241|36.858105| |1.961382|1.913095|2.156822|0.065922|2.007272|2.268441|0.064580|2.611177|4.388216|4.300488|3.825301|3.736307|3.105262|2.820719|2.938440|3.459154|4.035496|33.937023|7.435566|7.120678|10.848876|12.430229|7.587511|36.858105| |1.968679|1.968327|2.244694|0.069759|2.155173|2.258414|0.062435|2.603529|4.408231|4.241168|3.812999|4.374388|3.695471|3.607203|4.106885|5.141963|5.419666|41.755299|10.345564|7.413425|10.452965|12.455068|7.554321|7.625957|36.858105| |4.875757|6.113927|7.607081|0.155758|6.360623|13.167709|0.257738|7.924517|12.737758|7.193005|3.938433|3.386998|3.289308|2.795470|2.508537|2.547212|2.901117|19.223223|4.143430|5.600075|3.343747|2.069283|1.881853|1.990963|1.967700|53.358707| |4.710717|5.308643|5.470269|0.121151|4.577004|7.770793|0.210940|5.398781|8.856469|5.656199|3.251826|2.799415|2.694780|2.340541|2.140986|2.188956|2.468297|16.919294|3.703044|4.924052|3.008719|1.890077|1.743698|1.840835|1.781571|19.127890|36.858105| |5.435627|5.411420|5.109905|0.118528|4.016036|6.831900|0.223587|4.756760|7.409075|5.405265|3.097955|2.654765|2.492182|2.179612|2.033621|2.115947|2.396079|16.993686|3.733304|5.044054|3.032164|1.901568|1.775684|1.851787|1.767633|11.528864|15.821445|73.516695| |3.522357|3.943167|4.003341|0.092507|3.727910|5.026838|0.132936|4.107445|7.371383|4.464443|2.739901|2.413326|2.388720|2.111082|1.920938|1.930715|2.134925|14.481533|3.217543|4.085619|2.617531|1.679763|1.552908|1.653467|1.600959|10.680990|12.677415|14.350592|36.858105| |3.087947|3.253000|3.210672|0.077352|2.959262|3.901854|0.109484|3.333735|5.925351|3.829859|2.411390|2.122102|2.082881|1.856542|1.708416|1.727214|1.903990|13.153694|2.944124|3.694429|2.417944|1.568885|1.461992|1.560552|1.486778|7.102627|7.701100|12.087654|13.702155|36.858105| |2.548524|2.692681|2.665072|0.065348|2.547017|3.106243|0.085730|2.774324|5.055277|3.249824|2.110087|1.889099|1.879551|1.697283|1.562107|1.565286|1.704125|11.710858|2.647849|3.231753|2.167916|1.426105|1.332187|1.425340|1.362172|5.389973|5.068593|8.110550|7.917818|13.774790|36.858105| |2.363501|2.570558|2.579615|0.063059|2.563844|2.938102|0.078482|2.675832|5.009081|3.107839|2.044509|1.860709|1.885898|1.717053|1.568951|1.552198|1.672984|11.314864|2.569728|3.084188|2.085145|1.378140|1.283290|1.373197|1.330902|5.124028|4.450136|6.800713|6.854200|7.941517|13.738515|36.858105| |2.541447|2.872286|2.937740|0.070431|3.014073|3.333299|0.085787|3.023559|5.781434|3.413468|2.229580|2.044657|2.100590|1.909828|1.726736|1.692962|1.820876|12.113212|2.742873|3.297268|2.206383|1.449799|1.342104|1.433466|1.409315|6.072079|5.003521|7.132373|7.914131|6.876814|7.938528|13.756125|36.858105| |3.074858|3.584564|3.725771|0.086242|3.777474|4.387487|0.109688|3.799798|7.216091|4.110201|2.597262|2.352215|2.399018|2.147404|1.932035|1.904636|2.072556|13.739383|3.077790|3.795310|2.473225|1.601531|1.475841|1.572241|1.549590|8.948998|7.485536|9.409643|13.703678|7.938093|6.876365|7.940417|13.752946|36.858105| |17.521631|8.766359|6.764725|0.210232|4.577489|5.419409|0.171919|4.171681|5.952458|5.779744|3.307247|3.098579|2.735805|2.486558|2.495007|2.760490|3.108034|23.988432|5.471287|7.761546|3.831019|2.333684|2.264980|2.119148|2.144136|5.710138|3.925567|7.824548|3.030030|2.693867|2.266015|2.116892|2.267787|2.696801|0.500000| |17.547140|8.821969|5.426606|0.142922|4.085760|4.564938|0.140021|3.435885|5.180204|4.472123|2.654567|2.496062|2.296021|2.119429|2.100273|2.249158|2.459800|18.351645|4.276045|5.556713|3.056551|1.925315|1.877652|1.785795|1.794524|5.502892|4.088152|8.410059|3.233344|2.912477|2.446070|2.268771|2.411109|2.852865|0.301986|0.500000| |17.596782|8.742615|6.506384|0.167204|4.368085|6.452922|0.234162|4.454149|6.377654|5.738546|3.209380|2.857065|2.570596|2.290721|2.227531|2.404036|2.729801|20.466240|4.560320|6.450124|3.463992|2.130846|2.039345|2.000749|1.953299|7.266186|5.511712|12.552501|3.927454|3.491198|2.800656|2.532072|2.683481|3.271542|0.300135|0.303191|0.500000| |8.847289|17.543229|8.829953|0.174576|6.752344|6.857537|0.176245|4.501620|6.923154|5.171562|2.980895|2.795463|2.678661|2.436759|2.315996|2.388523|2.611181|18.059839|4.097337|5.311962|3.014432|1.891652|1.785382|1.770879|1.803051|9.312710|6.342985|11.144621|4.704712|3.766142|3.070912|2.931961|3.315392|4.244522|0.172796|0.211023|0.212582|0.500000| |8.897581|17.520038|8.938152|0.212167|7.278448|5.476909|0.141160|4.087337|6.232003|5.052569|2.983979|2.944282|2.799171|2.618759|2.566647|2.677323|2.865695|19.904402|4.631780|5.834171|3.188022|1.997704|1.904580|1.824893|1.919417|6.442448|4.166470|7.422931|3.338253|2.813796|2.403931|2.335318|2.609901|3.160098|0.209142|0.217952|0.173314|0.304381|0.500000| |4.624511|6.912250|8.817466|0.216258|17.556102|5.452691|0.123136|4.759392|7.728557|5.648229|3.468005|3.672548|3.739022|3.571582|3.375728|3.329313|3.456969|21.592003|4.970171|5.960687|3.394828|2.127474|1.969078|1.928238|2.115834|6.455064|3.736427|6.070772|3.151441|2.589310|2.271563|2.292815|2.654607|3.206648|0.124444|0.111892|0.110379|0.165686|0.220314|0.500000| |4.012621|5.468633|8.707965|0.210802|17.567164|6.833282|0.139562|7.020998|12.149375|7.469203|4.534373|4.759901|5.103084|4.501439|3.889659|3.731704|4.046942|23.581035|5.160841|6.439308|3.774708|2.328337|2.086457|2.135481|2.325128|7.921983|4.155689|6.419041|3.488053|2.797893|2.440228|2.477444|2.915333|3.595096|0.108522|0.094559|0.103849|0.138938|0.145314|0.302031|0.500000| |4.473898|6.876074|8.772752|0.173751|17.556245|6.662292|0.138949|5.378991|9.265763|5.674694|3.405918|3.371359|3.492955|3.193106|2.882094|2.811397|3.005560|18.925957|4.257549|5.266709|3.125373|1.967802|1.806664|1.833949|1.939609|9.445012|5.031738|7.481328|4.254544|3.265082|2.817512|2.889938|3.507861|4.513288|0.111537|0.108235|0.114470|0.200794|0.181684|0.301964|0.301536|0.500000| |4.636107|4.650011|6.394023|0.221488|4.774302|7.459850|0.218413|9.362420|10.839918|26.030232|9.117486|6.563624|4.828929|3.786007|3.596224|4.161338|5.679100|41.568578|7.539894|15.355938|6.597565|3.519025|3.062405|3.195548|3.144540|6.621542|3.991971|7.112270|3.105971|2.704624|2.287819|2.166781|2.353946|2.818065|0.142212|0.102201|0.133613|0.110003|0.111246|0.115370|0.138539|0.110427|0.500000| |2.953327|2.982054|3.728947|0.116461|3.314486|4.267149|0.119131|5.856633|9.112147|12.594718|17.670092|8.824164|5.727636|4.211153|3.920976|4.588792|6.812057|46.838536|7.853906|12.351825|9.904917|4.910112|3.747166|4.697722|4.268527|4.667383|2.960609|5.159897|2.513822|2.266826|1.991936|1.910531|2.048176|2.352977|0.088004|0.070425|0.085177|0.075239|0.075489|0.083184|0.101922|0.081126|0.225091|0.500000| |2.829595|3.015127|3.904477|0.114561|3.686615|4.687282|0.120846|7.430685|13.818938|12.644892|17.668473|8.946782|7.394074|4.819345|4.001027|4.194068|5.588403|32.054656|6.068072|8.265077|6.178352|3.577544|2.861742|3.523088|3.424665|5.376611|3.270634|5.411234|2.829283|2.489588|2.195936|2.142866|2.343546|2.714536|0.080990|0.067693|0.081549|0.078189|0.075982|0.089258|0.119604|0.091845|0.181438|0.303925|0.500000| |2.565256|2.887623|3.763388|0.108702|4.088126|3.998545|0.096466|5.615815|11.889717|7.685104|7.188757|8.970860|17.736691|8.922056|5.651332|4.967870|5.673367|27.587618|5.700248|6.597327|4.852217|3.025468|2.493079|2.846086|3.181843|4.832534|2.875434|4.627290|2.583000|2.232804|2.019539|2.042075|2.295504|2.627332|0.072864|0.062553|0.070854|0.075317|0.075994|0.101446|0.145782|0.101196|0.126372|0.147703|0.228759|0.500000| |2.188738|2.462237|3.019146|0.088414|3.448394|2.913362|0.072066|3.511955|6.752043|4.860771|4.115268|5.625201|8.930570|17.719079|8.924476|5.659166|4.968512|24.144599|5.521247|5.434666|4.104695|2.734437|2.330140|2.484373|3.086677|3.605026|2.232354|3.662650|2.053275|1.806344|1.669166|1.707854|1.909444|2.124672|0.062800|0.054885|0.058738|0.064062|0.068089|0.093842|0.117371|0.085999|0.089628|0.097515|0.114864|0.215837|0.500000| |2.136084|2.329718|2.749070|0.084294|2.992317|2.541342|0.065131|2.902027|5.150727|4.256663|3.526697|4.907322|5.639482|8.903974|17.730120|8.928239|5.646742|28.027659|7.103927|5.855634|4.496026|3.092327|2.707276|2.632719|3.688248|3.060785|1.945606|3.293515|1.766699|1.580873|1.457418|1.470289|1.614538|1.788399|0.063149|0.054143|0.056346|0.059213|0.066029|0.086018|0.094778|0.073165|0.083971|0.089411|0.091025|0.124121|0.214220|0.500000| |2.407829|2.513601|2.942928|0.095387|2.951625|2.713530|0.072036|3.069253|5.111405|4.867017|4.043051|5.615432|4.971063|5.662226|8.909686|17.777826|8.949643|48.607276|14.422691|8.619112|6.685580|4.458066|3.922469|3.390598|5.310412|3.132669|2.012827|3.499965|1.781970|1.608983|1.463163|1.447089|1.567485|1.751772|0.074024|0.060453|0.063414|0.062150|0.070618|0.084385|0.089759|0.070635|0.101858|0.108829|0.096449|0.107862|0.124245|0.214824|0.500000| |2.646946|2.521104|2.896710|0.092358|2.560079|3.049922|0.089205|3.518265|5.515984|6.364422|5.442575|4.943339|3.667312|3.173938|3.315108|4.171843|5.543997|62.640759|10.808995|14.433920|25.890981|9.101838|6.859219|7.433415|5.654204|3.441115|2.304127|4.186680|1.989436|1.850860|1.649512|1.571437|1.651569|1.854944|0.082074|0.065113|0.075214|0.063034|0.065745|0.067722|0.074853|0.063302|0.142454|0.205573|0.123128|0.091317|0.075174|0.079655|0.111648|0.500000| |2.107412|1.986898|2.168628|0.067628|1.972580|2.199883|0.063956|2.396263|3.889237|3.924490|3.159556|3.143488|2.603609|2.438904|2.649685|3.231389|3.647856|36.499219|9.260482|7.972368|9.497444|8.780138|17.536967|6.937417|5.490633|2.591092|1.781528|3.259885|1.580339|1.497032|1.359558|1.300458|1.352605|1.488464|0.065098|0.053864|0.058965|0.050301|0.053250|0.053717|0.056640|0.049715|0.086434|0.102978|0.077613|0.065582|0.059806|0.067441|0.094335|0.203153|0.500000| |1.830010|1.764544|1.930594|0.059549|1.806946|1.942290|0.055326|2.132163|3.547376|3.408896|2.810989|2.926203|2.513025|2.429756|2.685166|3.217438|3.420864|30.657628|8.280926|6.305746|7.558233|8.814100|17.548921|6.931161|6.883845|2.326285|1.593312|2.876743|1.434740|1.357829|1.246451|1.204063|1.255486|1.370171|0.055754|0.047141|0.050776|0.045050|0.047816|0.049569|0.052393|0.045787|0.072889|0.088709|0.070786|0.063027|0.060111|0.069759|0.095927|0.141463|0.301628|0.500000| |2.114198|2.029660|2.229189|0.070447|2.066353|2.191766|0.062433|2.389181|3.893459|3.887327|3.148322|3.371569|2.810137|2.728491|3.114754|3.957994|4.220162|42.873014|13.508690|8.260167|9.287174|8.764145|17.623137|5.501860|6.861570|2.569459|1.742020|3.154188|1.546483|1.449193|1.319249|1.273875|1.337181|1.473700|0.065786|0.054101|0.057856|0.050956|0.055351|0.057227|0.059655|0.051542|0.085430|0.098314|0.076472|0.068863|0.066163|0.080095|0.123502|0.165981|0.301150|0.300720|0.500000| |1.964557|1.941426|2.218459|0.067262|2.082043|2.367521|0.066736|2.793053|4.772426|4.598104|4.281719|4.118124|3.443552|3.058800|3.095459|3.559863|4.220678|32.546051|6.850753|6.911548|9.851298|8.780613|5.502542|17.576070|6.986546|2.842224|1.917218|3.393378|1.728357|1.625146|1.485700|1.436087|1.503807|1.650115|0.058386|0.049450|0.055875|0.050178|0.051196|0.055045|0.062269|0.052960|0.092063|0.147423|0.112708|0.088571|0.074802|0.076076|0.093593|0.184198|0.141212|0.141340|0.122839|0.500000| |1.770501|1.729795|1.926920|0.058385|1.812930|2.010642|0.057033|2.280887|3.878290|3.654195|3.173574|3.164022|2.734151|2.550665|2.673196|3.074133|3.417243|27.739095|6.465808|5.892441|7.732520|8.815853|6.944510|17.567702|6.920499|2.436992|1.667338|2.979698|1.513844|1.436717|1.322699|1.278207|1.330056|1.447027|0.052862|0.045224|0.050006|0.044746|0.046146|0.048699|0.053385|0.046357|0.075207|0.103593|0.082955|0.070177|0.063468|0.068006|0.085210|0.147862|0.172095|0.208816|0.141360|0.300487|0.500000| |2.018317|1.938674|2.165244|0.065986|1.982394|2.303202|0.066692|2.617651|4.346443|4.319929|3.712702|3.451900|2.858385|2.566122|2.642201|3.090213|3.649230|31.845924|6.896140|7.181859|9.846781|8.754709|6.897670|17.532860|5.511410|2.749868|1.888629|3.414407|1.689633|1.606198|1.461558|1.396689|1.448740|1.590240|0.060619|0.051058|0.057781|0.049909|0.050995|0.052661|0.057973|0.050498|0.090475|0.129012|0.094861|0.073929|0.063227|0.065937|0.084148|0.223119|0.207469|0.170629|0.140853|0.300810|0.302100|0.500000| |2.019034|2.026898|2.306323|0.072408|2.229922|2.266029|0.062284|2.579035|4.339116|4.170617|3.644419|4.374199|3.730902|3.793592|4.605138|6.091884|5.851248|44.884146|12.783783|7.629551|9.210401|8.749624|6.914669|5.510470|17.607712|2.673610|1.770780|3.122763|1.587027|1.467120|1.343331|1.315986|1.398953|1.541269|0.061534|0.051225|0.054953|0.051214|0.055517|0.061666|0.066667|0.055328|0.086980|0.109360|0.089630|0.087414|0.089344|0.116658|0.192157|0.140714|0.140654|0.171561|0.205884|0.141388|0.141591|0.122677|0.500000| |1.775151|1.770649|1.990470|0.061041|1.922343|2.005919|0.055575|2.280545|3.902841|3.625397|3.179243|3.543394|3.130143|3.107372|3.484281|4.103726|4.164090|31.587129|8.111709|6.054606|7.606915|8.882531|6.879643|7.046600|17.565591|2.416890|1.624325|2.868639|1.474741|1.379656|1.272897|1.245272|1.312407|1.431166|0.053326|0.045379|0.049022|0.045431|0.048106|0.052577|0.057244|0.048602|0.074427|0.097693|0.081643|0.076875|0.076196|0.090135|0.119235|0.126213|0.140873|0.205722|0.168560|0.174944|0.210888|0.142473|0.302616|0.500000| |1.979781|2.008074|2.326266|0.071773|2.260584|2.366257|0.064622|2.796843|4.818656|4.550603|4.291384|5.081103|4.349341|4.192551|4.630837|5.583217|5.990181|39.710161|9.023678|7.232365|9.618211|8.782278|5.488378|6.924018|17.574573|2.815664|1.855836|3.238909|1.672698|1.545300|1.416949|1.390406|1.479182|1.628105|0.059321|0.049874|0.054728|0.051329|0.054156|0.061091|0.068847|0.056543|0.090996|0.131487|0.109063|0.103006|0.098465|0.112269|0.147548|0.147000|0.122810|0.140362|0.140526|0.208888|0.169516|0.141239|0.300228|0.301261|0.500000| |3.947776|4.901437|6.243845|0.135532|6.122754|9.223300|0.185758|7.827510|15.347159|6.892187|3.982194|3.460942|3.491182|2.945889|2.577571|2.561327|2.893735|18.594039|4.009767|5.261057|3.265779|2.038573|1.835828|1.972857|1.963594|26.035733|9.403745|10.925893|7.436216|4.942099|3.947406|3.928541|4.871412|7.291293|0.097969|0.093799|0.116414|0.148927|0.113098|0.126617|0.169625|0.192221|0.123359|0.094440|0.115530|0.108446|0.078691|0.064135|0.063634|0.067811|0.051184|0.046557|0.050986|0.058066|0.049426|0.055145|0.054283|0.049320|0.057960|0.500000| |3.223619|3.246691|3.154443|0.077221|2.811060|3.856315|0.113697|3.270160|5.638989|3.855134|2.413155|2.101914|2.028850|1.804404|1.675744|1.713559|1.901197|13.373655|2.989114|3.795174|2.472270|1.600780|1.499398|1.596721|1.501718|6.597677|7.243117|13.612712|8.959185|17.755527|8.896236|5.641669|4.957168|5.659594|0.078098|0.084698|0.104350|0.102566|0.077354|0.068888|0.073593|0.083956|0.076839|0.063940|0.068493|0.059794|0.048370|0.043009|0.044548|0.053074|0.042958|0.038613|0.041198|0.045969|0.040769|0.046022|0.041075|0.038714|0.043127|0.122274|0.500000| |2.331256|2.407114|2.364736|0.058969|2.246565|2.721052|0.076401|2.463102|4.451593|2.954142|1.940432|1.740307|1.722954|1.563537|1.449067|1.457250|1.583153|10.983345|2.495349|3.021348|2.049728|1.357643|1.274865|1.363881|1.293366|4.514287|4.135454|7.016561|5.638330|8.930788|17.718931|8.907619|5.645295|4.953869|0.058137|0.062802|0.071239|0.075048|0.060233|0.056394|0.059984|0.067938|0.058216|0.051485|0.055942|0.051100|0.042678|0.037678|0.038039|0.043451|0.036253|0.033248|0.034992|0.039375|0.035295|0.038986|0.035358|0.033721|0.037243|0.091008|0.214342|0.500000| |2.091806|2.256190|2.260465|0.056044|2.267011|2.525622|0.067716|2.342923|4.395374|2.769938|1.851706|1.701182|1.731534|1.591142|1.458721|1.438522|1.539317|10.418075|2.381890|2.814575|1.929278|1.286195|1.201155|1.285281|1.246686|4.241091|3.556702|5.614325|4.941939|5.647349|8.908422|17.713587|8.918073|5.647011|0.052609|0.056247|0.061701|0.070487|0.057791|0.057144|0.061264|0.070303|0.053787|0.048346|0.053952|0.051943|0.044192|0.038192|0.037392|0.040293|0.033771|0.031451|0.033100|0.037309|0.033406|0.036262|0.034228|0.032560|0.036149|0.090466|0.124002|0.214732|0.500000| |2.322748|2.646915|2.727287|0.066001|2.890080|3.004346|0.076484|2.791101|5.414234|3.180405|2.112672|1.971164|2.055597|1.891618|1.704902|1.653722|1.759345|11.590810|2.641352|3.118175|2.108207|1.394367|1.290329|1.376351|1.367252|5.264175|4.074106|5.953764|5.637572|4.954246|5.643929|8.910401|17.719709|8.926649|0.058228|0.061488|0.066955|0.083726|0.068208|0.071657|0.078549|0.093833|0.060779|0.053763|0.061845|0.062560|0.053136|0.044558|0.042537|0.043533|0.035948|0.033642|0.035771|0.040151|0.035612|0.038423|0.037783|0.035459|0.039946|0.119528|0.107601|0.124078|0.214854|0.500000| 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