Version2.2 2021-02-06T11:17:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 17-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)[C@@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)c3ccccc3OC C36494317 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)[C@@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)c3ccccc3OC C01[X(C26H30N2O4)] 180 C1 540 COc1ccccc1C(=O)N([C@H](C(=O)NC(C)(C)C)c1ccc(cc1)C)Cc1ccco1 COc1ccccc1C(=O)N([C@H](C(=O)NC(C)(C)C)c1ccc(cc1)C)Cc1ccco1 COc1ccccc1C(=O)N(Cc2occc2)[C@H](C(=O)NC(C)(C)C)c3ccc(C)cc3 InChIKey=ANGAJBDPECBWEM-QHCPKHFHSA-N InChI=1S/C26H30N2O4/c1-18-12-14-19(15-13-18)23(24(29)27-26(2,3)4)28(17-20-9-8-16-32-20)25(30)21-10-6-7-11-22(21)31-5/h6-16,23H,17H2,1-5H3,(H,27,29)/t23-/m0/s1 InChI=1/C26H30N2O4/c1-18-12-14-19(15-13-18)23(24(29)27-26(2,3)4)28(17-20-9-8-16-32-20)25(30)21-10-6-7-11-22(21)31-5/h6-16,23H,17H2,1-5H3,(H,27,29)/t23-/m0/s1/f/h27H Cc1ccc(cc1)[C@@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)c3ccccc3OC C01[X(C26H30N2O4)] 180 C01 540 COc1ccccc1C(=O)N([C@H](C(=O)NC(C)(C)C)c1ccc(cc1)C)Cc1ccco1 CO[C]1[CH][CH][CH][CH][C]1C(=O)N([C@H](C(=O)NC(C)(C)C)[C]1[CH][CH][C]([CH][CH]1)C)CC1=[CH][CH]=CO1 CO[C]1[CH][CH][CH][CH][C]1C(=O)N(Cc2occc2)[C@@H]([C]3[CH][CH][C](C)[CH][CH]3)C(=O)NC(C)(C)C InChIKey=ANGAJBDPECBWEM-QHCPKHFHSA-N InChI=1S/C26H30N2O4/c1-18-12-14-19(15-13-18)23(24(29)27-26(2,3)4)28(17-20-9-8-16-32-20)25(30)21-10-6-7-11-22(21)31-5/h6-16,23H,17H2,1-5H3,(H,27,29)/t23-/m0/s1 InChI=1/C26H30N2O4/c1-18-12-14-19(15-13-18)23(24(29)27-26(2,3)4)28(17-20-9-8-16-32-20)25(30)21-10-6-7-11-22(21)31-5/h6-16,23H,17H2,1-5H3,(H,27,29)/t23-/m0/s1/f/h27H 3392.2453222483 -1410.3836 1-A 13145.5056 116 424 540 |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| -20.59997 -20.59650 -20.52711 -20.51629 -15.58307 -15.58148 -11.34872 -11.34265 -11.31419 -11.28850 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MUNgauss RevisionA2.1 retrievium 06-Feb-2021 DUDE Cc1ccc(cc1)[C@@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)c3ccccc3OC C36494317 RHF 6-31G(d) (6D,10F) C1 434.220558 |X|Y|Z| 61.452971 63.633410 72.936830
65.825119 21 6 7 8 19 1 1
|36.858105| |12.610098|36.858105| |7.550213|13.683555|36.858105| |5.015069|7.890855|13.792163|36.858105| |4.401900|6.762311|7.889482|13.682619|36.858105| |5.002610|7.882570|6.911577|7.996504|13.734406|36.858105| |7.535763|13.741463|8.004614|6.921504|7.894756|13.729753|36.858105| |3.251451|4.380723|5.006892|7.556983|12.432898|7.422785|4.962921|36.858105| |3.056155|4.008557|4.814798|7.328497|9.039649|5.701830|4.250839|17.692465|0.500000| |2.880051|3.705240|3.890526|5.062080|7.516829|6.465558|4.425170|12.399381|0.250951|36.858105| |2.612765|3.253438|3.302041|4.057675|5.652129|5.460907|3.932984|7.915297|0.168696|15.871528|73.516695| |2.817184|3.553083|3.716379|4.645543|6.193431|5.564539|4.136190|7.886079|0.209997|14.082099|15.016362|53.358707| |2.501876|3.010303|3.023173|3.511609|4.359279|4.345125|3.505115|4.965091|0.132836|7.559650|11.664614|17.597282|36.858105| |2.110692|2.479843|2.515585|2.906971|3.498571|3.416645|2.822604|4.183332|0.113653|6.099197|10.914402|10.509720|12.431712|36.858105| |2.431118|2.854058|2.891407|3.259549|3.757920|3.692786|3.179742|4.020327|0.114680|5.122525|7.791348|10.801427|12.435466|7.613024|36.858105| |2.624432|3.119481|2.970055|3.306639|4.147998|4.613819|3.807547|4.322573|0.109019|6.169828|10.790007|10.471452|12.417698|7.561277|7.602811|36.858105| |2.909533|3.746556|4.234305|5.848739|7.646487|5.585782|4.127875|13.104513|0.259254|7.658364|12.098704|7.091503|3.819793|3.519492|3.152953|3.470834|53.358707| |2.912330|3.674421|3.883427|4.850510|6.261995|5.522162|4.199577|7.574449|0.156578|5.993463|11.182752|5.775701|3.376013|3.147656|2.774292|3.291861|17.757241|36.858105| |2.387003|2.864813|2.974772|3.531803|4.269485|3.976718|3.223726|5.208396|0.119561|4.841887|9.997729|4.909061|3.045484|3.013706|2.502400|2.975977|10.492536|12.709232|36.858105| |2.099617|2.479402|2.574098|3.035536|3.622967|3.381888|2.773165|4.577596|0.110362|4.672880|10.151186|4.858136|3.105327|3.242585|2.527765|2.974392|8.326117|7.273289|14.220466|36.858105| |1.875946|2.156782|2.212461|2.521978|2.899399|2.782444|2.380484|3.423039|0.085219|3.476842|7.293341|3.851081|2.562114|2.696654|2.146367|2.508288|5.845937|5.132491|8.583994|13.222178|36.858105| |1.954224|2.232496|2.273571|2.551641|2.895221|2.816559|2.453430|3.269391|0.080643|3.190439|6.498075|3.553039|2.350680|2.398237|1.996712|2.344597|5.638410|5.352066|8.773094|8.592019|14.240987|36.858105| |2.257843|2.631219|2.687752|3.053405|3.517087|3.401453|2.914077|3.933236|0.093897|3.663493|7.349309|3.957217|2.542060|2.515123|2.147060|2.542602|7.174324|7.929920|14.141291|8.637971|8.639845|14.155686|73.516695| |2.627429|3.259993|3.811509|5.086505|5.545066|4.179736|3.380170|7.716823|0.211398|5.259232|8.471742|5.602145|3.171602|3.016805|2.751216|2.843759|18.956184|7.966998|6.272781|5.351475|4.036207|3.910863|8.479157|36.858105| |2.467722|2.972576|3.409040|4.245385|4.436164|3.593985|3.041676|5.387121|0.143964|4.078267|6.947854|4.497189|2.675981|2.581917|2.353365|2.469526|11.583874|7.235320|6.393598|5.249904|4.239718|4.313921|9.486368|15.875521|73.516695| |2.447303|2.983144|3.571993|4.728232|4.781228|3.600464|3.003118|6.459561|0.222253|4.728264|7.272782|5.548329|3.149439|3.019558|2.842668|2.711522|10.370949|5.004701|4.312523|4.079541|3.252354|3.074342|6.223409|12.610524|14.518820|36.858105| |2.416775|2.878426|3.532346|4.465383|4.099130|3.170881|2.778702|4.801661|0.159961|3.650555|5.698100|4.511606|2.662470|2.529597|2.495812|2.340440|7.227725|3.988398|3.472271|3.241499|2.734620|2.661163|5.338084|7.715769|11.832319|13.742904|36.858105| |2.183734|2.534367|3.063495|3.691359|3.370143|2.706409|2.427156|3.830429|0.128474|3.129338|4.910190|4.066753|2.474019|2.375103|2.394506|2.154921|5.384917|3.127290|2.817049|2.714911|2.349724|2.266266|4.418289|5.058179|8.079977|7.880377|13.748775|36.858105| |2.018648|2.334847|2.751193|3.300827|3.143894|2.566705|2.280902|3.688192|0.125789|3.182715|4.990585|4.259355|2.623286|2.572117|2.568791|2.227015|5.008287|2.905003|2.678717|2.670404|2.304783|2.172308|4.155634|4.448376|6.905709|6.860373|7.993837|13.793052|36.858105| |2.028139|2.378792|2.755603|3.382701|3.402633|2.766019|2.389586|4.274839|0.149095|3.807193|5.931082|5.076405|3.075824|3.087859|2.943181|2.531742|5.747209|3.224453|3.007131|3.081921|2.589768|2.378606|4.527823|4.982485|7.324735|7.900280|6.898401|7.915456|13.735202|36.858105| |2.214204|2.660902|3.087870|3.956135|4.164899|3.272741|2.726990|5.782116|0.206456|4.884529|7.500978|6.037577|3.464557|3.451060|3.140376|2.850602|8.171067|4.192995|3.841852|3.918178|3.128539|2.843791|5.527573|7.421826|9.744182|13.623158|7.940073|6.834796|7.928388|13.724336|36.858105| |2.160995|2.603204|2.914652|3.693788|4.189644|3.406254|2.765362|6.223747|0.201450|6.035646|9.582252|7.143750|4.085023|4.283687|3.495169|3.273709|8.716146|4.540707|4.338601|4.715985|3.589403|3.125329|5.986185|6.701191|8.903850|8.162039|5.288603|4.610939|5.208217|7.905605|14.155108|73.516695| |1.912752|2.250967|2.462607|2.988418|3.343827|2.872123|2.394967|4.516112|0.140013|4.891199|8.225347|6.372541|4.031578|4.637150|3.524473|3.170136|6.063123|3.537940|3.543729|4.024475|3.243044|2.774584|5.103905|4.512152|6.626715|5.247394|3.989782|3.790049|4.519788|6.726934|7.991102|24.154704|36.858105| |17.537792|8.849827|6.528630|4.539618|3.956478|4.351089|6.017588|3.017616|0.078770|2.643735|4.329711|3.453786|2.254799|1.942878|2.173012|2.350857|3.818745|2.861562|2.362415|2.060744|1.861475|1.964140|4.047131|2.579241|4.402393|2.378157|2.378080|2.138669|1.953905|1.946505|2.124892|3.664035|1.820681|0.500000| |17.580011|8.836598|5.579630|4.173694|3.941007|4.730013|7.202190|3.000314|0.077551|2.762181|4.533005|3.702914|2.479896|2.090616|2.406624|2.675151|3.660217|2.739130|2.285766|2.026841|1.823910|1.898359|3.866134|2.403502|4.022741|2.231572|2.176058|1.978743|1.854453|1.881325|2.051476|3.615370|1.822555|0.301949|0.500000| |17.555098|8.836797|6.884210|4.644988|3.943329|4.241102|5.755311|3.007985|0.080859|2.678748|4.283650|3.654165|2.402227|2.029932|2.396030|2.478411|3.636887|2.608889|2.170850|1.938634|1.736579|1.793406|3.638206|2.461201|4.096327|2.355749|2.361634|2.174627|2.015667|2.003945|2.150988|3.694378|1.853809|0.302234|0.301644|0.500000| |7.004848|8.902473|17.696320|8.956691|5.631639|4.970453|5.670077|4.098850|0.114322|3.267605|5.016678|4.322083|2.648412|2.251346|2.592617|2.577469|4.932033|3.322050|2.638853|2.313789|2.021514|2.080861|4.312294|3.442057|5.608684|3.337120|3.460138|3.076209|2.719885|2.645950|2.884030|4.736170|2.277847|0.180725|0.140890|0.200445|0.500000| |4.097981|5.633111|8.960061|17.697976|8.900726|5.666450|4.975719|7.059312|0.220863|4.662912|6.673091|5.898892|3.284871|2.802082|3.102770|2.988815|7.944063|4.534940|3.416058|2.987728|2.486827|2.495130|5.243036|5.664045|8.239387|5.729190|5.714136|4.603401|3.951032|3.930452|4.565872|7.106449|3.171189|0.106682|0.096157|0.110045|0.217316|0.500000| |4.092860|5.637366|4.972187|5.660778|8.899916|17.716181|8.955585|6.838533|0.142998|7.221086|11.841473|8.088110|4.846972|3.800969|3.866969|5.545947|7.316851|5.640631|4.239183|3.660688|2.989843|2.992500|6.367782|3.932166|6.060452|3.357030|2.897630|2.496563|2.412776|2.648124|3.146001|6.061433|2.930688|0.101258|0.112956|0.098187|0.107822|0.124123|0.500000| |6.974932|8.922945|5.668485|4.976316|5.638487|8.946537|17.705228|4.058189|0.097718|3.870566|6.403924|4.997854|3.289652|2.681541|2.991833|3.750374|4.774590|3.693397|2.969160|2.588540|2.266154|2.344949|4.878219|2.914636|4.755478|2.600852|2.413052|2.138691|2.030337|2.129960|2.403872|4.388303|2.184830|0.157508|0.219859|0.147342|0.124285|0.107895|0.217711|0.500000| |3.028347|3.868304|4.180172|5.319261|6.709345|5.659380|4.336908|7.745554|0.232880|9.511551|10.919506|26.056648|9.043573|5.870731|7.891901|6.162008|6.727578|3.937467|3.277243|3.175325|2.565560|2.407428|4.792987|4.068374|5.788962|4.199879|3.511501|3.203205|3.342196|3.898674|4.504039|8.764354|4.324949|0.074837|0.079978|0.081449|0.099147|0.139009|0.153544|0.104103|0.500000| |2.015296|2.360680|2.448979|2.856805|3.346149|3.141011|2.619470|4.099459|0.117156|5.584178|9.473387|9.565512|8.801527|17.555251|6.997319|5.496446|4.746615|3.020953|2.905393|3.155474|2.626732|2.322307|4.308269|3.092418|4.671527|3.218888|2.684925|2.563110|2.852627|3.517958|3.850745|8.630856|5.672892|0.051793|0.054862|0.054325|0.061623|0.078477|0.093764|0.068271|0.159867|0.500000| |1.960041|2.255838|2.258356|2.542276|2.985205|2.987801|2.551992|3.407435|0.092700|4.609580|8.423093|7.613375|8.822164|17.545373|6.932580|6.927805|4.009933|2.710707|2.630401|2.825044|2.428205|2.176449|4.007327|2.576376|4.009671|2.579136|2.215593|2.106361|2.275436|2.671638|2.905044|6.183526|3.809906|0.050177|0.054464|0.052601|0.056712|0.067962|0.092095|0.068640|0.128637|0.301097|0.500000| |2.086143|2.457747|2.482796|2.883271|3.534554|3.475876|2.829664|4.343715|0.113488|6.553503|13.569701|9.449594|8.784180|17.629725|5.516619|6.861590|5.186172|3.489370|3.443682|3.821098|3.124362|2.718154|5.025965|3.205599|4.900430|3.104193|2.558786|2.360594|2.527105|3.044109|3.506327|8.010796|4.812535|0.053832|0.057437|0.055117|0.061458|0.076930|0.110167|0.074939|0.143894|0.300631|0.300849|0.500000| |2.721045|3.203593|3.213372|3.548906|4.019502|4.020137|3.549720|4.022477|0.114468|4.821044|7.174157|9.734585|8.756931|5.504773|17.530445|6.943144|4.223257|2.745045|2.422911|2.391831|2.041246|1.929984|3.730688|2.704933|4.128762|2.781600|2.488018|2.382435|2.509094|2.801153|2.981085|5.699502|3.122182|0.066341|0.074924|0.075162|0.079640|0.092113|0.113670|0.092390|0.223820|0.141809|0.141295|0.122872|0.500000| |2.209736|2.527598|2.520803|2.770281|3.140868|3.164162|2.805622|3.315204|0.093302|4.133231|6.690479|7.722432|8.812372|6.952004|17.575719|6.920096|3.698448|2.456159|2.264059|2.307953|1.997925|1.858477|3.507667|2.403130|3.726780|2.466612|2.194146|2.122444|2.276710|2.579657|2.713476|5.357180|3.116245|0.055205|0.061523|0.060633|0.063575|0.073395|0.093103|0.075144|0.151880|0.173171|0.208415|0.141387|0.301830|0.500000| |2.294763|2.684860|2.801385|3.201362|3.583254|3.361144|2.905520|3.957068|0.118701|4.813687|7.214212|9.806560|8.768385|6.932647|17.542242|5.503357|4.268173|2.690258|2.441155|2.486245|2.110580|1.952848|3.716613|2.813509|4.251966|3.013538|2.650789|2.593398|2.853730|3.313631|3.438279|6.734438|3.917206|0.057506|0.062234|0.063421|0.070873|0.087392|0.095240|0.074896|0.212891|0.210073|0.170581|0.141561|0.300266|0.301410|0.500000| |2.589348|3.089389|2.921992|3.272732|4.212972|4.795971|3.853223|4.485482|0.108371|6.610697|13.277859|9.381354|8.778108|6.891445|5.511461|17.615212|5.083444|3.683595|3.379329|3.387846|2.832436|2.635977|5.089097|2.987409|4.642893|2.758329|2.353731|2.135021|2.186806|2.492627|2.863327|5.944851|3.197840|0.065306|0.073425|0.066822|0.070073|0.081812|0.171637|0.106479|0.148936|0.140454|0.171168|0.204907|0.141344|0.141230|0.122881|0.500000| |2.357108|2.712569|2.575288|2.800886|3.363373|3.701893|3.220915|3.480441|0.090103|4.633590|8.341802|7.595520|8.805146|6.892012|6.943542|17.546640|3.967136|2.798807|2.600984|2.635996|2.282745|2.132468|4.037054|2.463630|3.870761|2.376806|2.083966|1.947141|2.024326|2.283711|2.515248|5.089199|2.855828|0.059028|0.067382|0.062450|0.063326|0.071400|0.119524|0.090080|0.132644|0.141071|0.207594|0.169142|0.172002|0.207952|0.141194|0.301185|0.500000| |3.009637|3.608542|3.333528|3.624031|4.536972|5.355592|4.528124|4.350317|0.109247|5.709116|9.387859|9.550864|8.786151|5.494142|6.948327|17.546464|4.656616|3.261701|2.858860|2.771573|2.353734|2.247304|4.398221|2.802584|4.341106|2.664879|2.338453|2.148696|2.189574|2.442068|2.735062|5.403899|2.872195|0.073286|0.086182|0.078663|0.079260|0.088533|0.176814|0.125380|0.173936|0.122995|0.141227|0.140309|0.209042|0.170968|0.141473|0.300532|0.301080|0.500000| |3.152613|4.045113|4.055347|4.935853|6.932796|6.956712|4.968156|7.555838|0.148729|6.674963|12.991274|6.299505|3.714719|3.360226|2.980853|3.787753|12.563912|17.677975|9.020450|6.155459|4.567936|4.730123|11.634760|5.817602|9.219131|4.179045|3.428769|2.791220|2.637196|2.926024|3.688307|7.229370|3.299708|0.084672|0.083804|0.077141|0.093765|0.120755|0.215682|0.122564|0.116820|0.086856|0.080509|0.103908|0.082560|0.073272|0.078286|0.121266|0.087720|0.105479|0.500000| |3.060660|3.820841|4.072409|4.908400|5.758590|5.135594|4.196492|6.038710|0.134804|4.658858|8.336886|4.859781|2.907324|2.694913|2.475426|2.865175|12.367559|17.609577|9.051613|5.621089|4.492163|5.049758|13.743773|7.276415|13.592771|4.666828|3.982582|3.094719|2.788673|2.985584|3.756462|6.824382|3.054245|0.085742|0.078877|0.075462|0.098026|0.127934|0.137425|0.102183|0.095359|0.072406|0.065739|0.081193|0.069075|0.061392|0.066955|0.087271|0.068845|0.080475|0.302580|0.500000| |2.065405|2.450391|2.562303|3.062555|3.692613|3.389694|2.742704|4.921274|0.120996|5.368378|11.992975|5.535001|3.524744|3.815437|2.811976|3.258131|8.438136|6.293783|8.864411|17.835382|8.421916|5.851163|10.472618|5.370326|8.673137|4.350420|3.346629|2.841371|2.873873|3.436810|4.452282|10.382259|5.042829|0.055674|0.055393|0.053436|0.063925|0.084427|0.102411|0.070787|0.098122|0.104407|0.090174|0.128409|0.072487|0.070888|0.077461|0.102698|0.079815|0.082407|0.155189|0.133767|0.500000| |1.704091|1.935971|1.982349|2.237418|2.538402|2.446712|2.122213|2.972150|0.075711|3.081153|6.406060|3.523232|2.400378|2.583839|2.031530|2.342616|4.857435|4.024451|5.846435|8.433599|17.791783|8.838629|10.458531|3.427989|6.332143|2.906133|2.479774|2.180806|2.170092|2.440018|2.876059|5.878058|3.120003|0.046896|0.046216|0.044152|0.050746|0.061630|0.072936|0.056540|0.065295|0.070381|0.065537|0.083097|0.053301|0.053098|0.055730|0.072908|0.060166|0.060599|0.102556|0.099827|0.192244|0.500000| |1.840269|2.065828|2.089384|2.298136|2.554366|2.514819|2.246973|2.798944|0.070038|2.724117|5.441224|3.114324|2.089294|2.125016|1.803087|2.101953|4.666047|4.292129|6.033903|5.810870|8.613154|17.835257|16.488362|3.304203|6.548741|2.679592|2.386935|2.061901|1.969783|2.123599|2.480779|4.750878|2.412705|0.051799|0.049847|0.046982|0.053659|0.062442|0.073627|0.060288|0.059239|0.057209|0.054296|0.066049|0.048666|0.046983|0.048974|0.065072|0.053715|0.056373|0.108628|0.118291|0.122995|0.195186|0.500000| |2.533912|2.999434|3.719601|4.582721|4.054273|3.175955|2.841600|4.451331|0.138924|3.354604|5.323957|4.100612|2.449951|2.307714|2.293111|2.210254|6.923787|4.050462|3.473401|3.134722|2.692474|2.695919|5.496860|7.299175|12.777331|8.993297|17.736630|8.907591|5.667862|4.967518|5.661630|7.611538|3.338811|0.070472|0.062745|0.068404|0.102970|0.162372|0.079637|0.068401|0.088302|0.066836|0.056700|0.065212|0.064218|0.056442|0.066530|0.062159|0.054782|0.061991|0.095906|0.118449|0.087102|0.067265|0.067859|0.500000| |2.115178|2.405390|2.901846|3.360065|2.997847|2.464157|2.265123|3.255187|0.105528|2.703459|4.293813|3.547837|2.203999|2.109015|2.160405|1.951642|4.557041|2.762030|2.501981|2.396434|2.118835|2.070544|4.019208|4.134154|6.944658|5.622612|8.903814|17.732119|8.903779|5.631757|4.933325|6.505901|3.133269|0.058035|0.053078|0.059047|0.083139|0.114943|0.062928|0.055806|0.077753|0.062666|0.052663|0.058072|0.060266|0.053764|0.064566|0.053608|0.049402|0.054455|0.069255|0.077441|0.068703|0.054914|0.053032|0.214265|0.500000| |1.865692|2.120402|2.466169|2.869509|2.723923|2.281993|2.062449|3.100621|0.102865|2.764681|4.389023|3.782199|2.400124|2.368919|2.401919|2.049500|4.158023|2.497656|2.332205|2.340583|2.059255|1.944934|3.677639|3.555715|5.689992|4.945256|5.664981|8.923571|17.714010|8.952624|5.651424|7.474195|3.922232|0.050176|0.047843|0.052199|0.068529|0.093353|0.059879|0.051526|0.082478|0.073177|0.059139|0.064059|0.065224|0.059916|0.074575|0.055529|0.052408|0.056016|0.063958|0.066967|0.069724|0.054481|0.049494|0.124270|0.214189|0.500000| |1.878677|2.178717|2.471475|2.964929|3.031889|2.539908|2.208009|3.753065|0.126457|3.566085|5.651117|4.920486|3.098369|3.209998|3.012921|2.515003|4.942402|2.875392|2.741087|2.875481|2.448764|2.223517|4.158969|4.050450|6.116436|5.622683|4.969275|5.651216|8.946339|17.765950|8.889151|12.605092|7.488160|0.049890|0.048899|0.051727|0.065876|0.092731|0.068598|0.055362|0.103614|0.104760|0.077752|0.086714|0.078105|0.074160|0.096261|0.068233|0.063847|0.066549|0.073946|0.073441|0.090313|0.065167|0.055401|0.107844|0.124237|0.217274|0.500000| |1.758122|2.039131|2.231801|2.659980|2.895330|2.513213|2.141900|3.740959|0.114799|3.878059|6.671702|5.040248|3.286902|3.737861|2.964370|2.691126|5.241238|3.162651|3.250116|3.714877|3.121638|2.670932|4.817636|4.108579|6.323084|4.849336|3.869946|3.792820|4.620635|6.742756|7.121981|16.459071|17.574382|0.046888|0.046510|0.047495|0.058170|0.079119|0.070749|0.054618|0.097313|0.123144|0.089341|0.107788|0.074200|0.074509|0.090974|0.075625|0.068578|0.068587|0.080908|0.077745|0.125153|0.085123|0.065233|0.090092|0.087788|0.113706|0.219523|0.500000| |1.916458|2.247562|2.460952|2.964355|3.273628|2.823307|2.377248|4.273943|0.136700|4.706505|7.588591|6.724292|4.355263|5.004119|3.992010|3.284830|5.367919|3.156509|3.067495|3.367646|2.777364|2.434123|4.508342|3.924690|5.787941|4.666778|3.734848|3.693413|4.550059|6.708730|6.918086|16.425417|17.568700|0.050258|0.050773|0.052077|0.063498|0.087441|0.079464|0.060269|0.130337|0.183354|0.114294|0.134062|0.096386|0.097153|0.129682|0.089070|0.082842|0.082704|0.083816|0.076862|0.112890|0.074380|0.059647|0.086893|0.085717|0.113069|0.229890|0.298736|0.500000| |1.878968|2.206201|2.363435|2.834462|3.258287|2.887196|2.392264|4.373596|0.127094|5.130895|9.301378|6.528409|4.320006|5.360878|3.596894|3.427319|5.916660|3.615069|3.749731|4.463120|3.561595|2.958443|5.351599|4.164058|6.245384|4.420298|3.419480|3.185786|3.623805|4.909052|5.885574|17.021567|17.665070|0.049645|0.050221|0.050222|0.060201|0.081302|0.084091|0.061338|0.116777|0.179647|0.120553|0.165310|0.086937|0.089704|0.107618|0.098210|0.086051|0.083940|0.095410|0.085027|0.163994|0.096321|0.070844|0.082422|0.075098|0.089222|0.146309|0.299464|0.300199|0.500000|
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