Version2.0 2020-07-25T04:55:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 09-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1)c2nc3c(c(n2)SCC(=O)N(C)c4ccccc4)Cc5c(cnc(c5O3)C)CO C09116390 RHF 6-31G(d) (6D,7F) Cc1cccc(c1)c2nc3c(c(n2)SCC(=O)N(C)c4ccccc4)Cc5c(cnc(c5O3)C)CO C01[X(C28H26N4O3S1)] 180 C1 596 OCc1cnc(c2c1Cc1c(SCC(=O)N(c3ccccc3)C)nc(nc1O2)c1cccc(c1)C)C OCc1cnc(c2c1Cc1c(SCC(=O)N(c3ccccc3)C)nc(nc1O2)c1cccc(c1)C)C CN(C(=O)CSc1nc(nc2Oc3c(C)ncc(CO)c3Cc12)c4cccc(C)c4)c5ccccc5 InChIKey=ZYVDKBAZFGESIX-UHFFFAOYSA-N InChI=1S/C28H26N4O3S/c1-17-8-7-9-19(12-17)26-30-27-23(13-22-20(15-33)14-29-18(2)25(22)35-27)28(31-26)36-16-24(34)32(3)21-10-5-4-6-11-21/h4-12,14,33H,13,15-16H2,1-3H3 InChI=1/C28H26N4O3S/c1-17-8-7-9-19(12-17)26-30-27-23(13-22-20(15-33)14-29-18(2)25(22)35-27)28(31-26)36-16-24(34)32(3)21-10-5-4-6-11-21/h4-12,14,33H,13,15-16H2,1-3H3 Cc1cccc(c1)c2nc3c(c(n2)SCC(=O)N(C)c4ccccc4)Cc5c(cnc(c5O3)C)CO C01[X(C28H26N4O3S1)] 180 C01 596 OCc1cnc(c2c1Cc1c(SCC(=O)N(c3ccccc3)C)nc(nc1O2)c1cccc(c1)C)C OC[C]1[CH][N][C]([C]2[C]1C[C]1[C]([N][C]([N][C]1O2)[C]1[CH][CH][CH][C]([CH]1)C)SCC(=O)N([C]1[CH][CH][CH][CH][CH]1)C)C C[C]1[CH][CH][CH][C]([CH]1)[C]2[N][C]3O[C]4[C](C)[N][CH][C](CO)[C]4C[C]3[C]([N]2)SCC(=O)N(C)[C]5[CH][CH][CH][CH][CH]5 InChIKey=ZYVDKBAZFGESIX-UHFFFAOYSA-N InChI=1S/C28H26N4O3S/c1-17-8-7-9-19(12-17)26-30-27-23(13-22-20(15-33)14-29-18(2)25(22)35-27)28(31-26)36-16-24(34)32(3)21-10-5-4-6-11-21/h4-12,14,33H,13,15-16H2,1-3H3 InChI=1/C28H26N4O3S/c1-17-8-7-9-19(12-17)26-30-27-23(13-22-20(15-33)14-29-18(2)25(22)35-27)28(31-26)36-16-24(34)32(3)21-10-5-4-6-11-21/h4-12,14,33H,13,15-16H2,1-3H3 3721.3824227616 -1915.3799421 1-A 27021.5736 131 465 596 |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| -91.96461 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MUNgauss RevisionA2.0 retrievium 25-Jul-2020 DUDE Cc1cccc(c1)c2nc3c(c(n2)SCC(=O)N(C)c4ccccc4)Cc5c(cnc(c5O3)C)CO C09116390 RHF 6-31G(d) (6D,10F) C1 498.172563 |X|Y|Z| 95.676229 132.271920 19.280656
62.488174 30 6 7 8 16 24 4 1 1
|36.858105| |12.601865|36.858105| |7.556284|13.684724|36.858105| |5.016842|7.896049|13.777925|36.858105| |4.424779|6.819065|7.937847|13.758679|36.858105| |4.996978|7.862880|6.869713|7.938403|13.721287|36.858105| |7.548203|13.750978|7.984029|6.903020|7.935173|13.668864|36.858105| |3.796188|5.040565|4.470101|5.053873|7.616826|12.796658|7.630773|36.858105| |3.721229|4.559110|3.810087|3.969451|5.195371|7.939389|6.820302|14.474980|53.358707| |2.978546|3.468626|3.031147|3.187162|4.015996|5.289491|4.638642|8.490445|19.737511|36.858105| |2.555511|2.987742|2.742235|2.987082|3.788543|4.563985|3.797470|7.094138|10.893023|13.773007|36.858105| |2.617406|3.170471|3.018365|3.452928|4.609569|5.266427|4.005745|8.428906|9.652315|8.186382|13.671278|36.858105| |3.079552|3.941622|3.791184|4.537288|6.769296|7.902159|5.180253|14.356474|11.068699|7.124054|7.996201|14.447896|53.358707| |2.150479|2.539777|2.512455|2.898126|3.641917|3.751208|3.002767|4.885118|5.821794|4.806433|7.023351|10.777959|9.697191|388.023441| |2.209007|2.663466|2.759829|3.345844|4.223311|3.927189|3.054638|4.612312|5.075205|3.766386|4.670091|6.917916|9.195773|74.805934|36.858105| |1.892627|2.221371|2.320621|2.749901|3.252187|3.009057|2.466778|3.370594|3.926400|2.953702|3.566184|4.620885|5.977087|49.911165|12.516346|36.858105| |1.733282|1.999991|2.057691|2.377115|2.770724|2.645500|2.221381|3.004307|3.633822|2.814842|3.451006|4.235942|5.169984|48.168382|8.021400|15.909187|73.516695| |1.839345|2.153510|2.303374|2.754178|3.145793|2.804543|2.330230|2.984425|3.468952|2.539783|2.929182|3.664755|5.046353|33.942969|7.786844|13.971130|15.043897|53.358707| |2.009335|2.388161|2.632426|3.251994|3.658639|3.088455|2.541488|3.135804|3.554268|2.515136|2.804878|3.521828|5.198918|29.291986|6.716324|7.667510|9.442329|17.792618|36.858105| |1.620325|1.859354|1.980817|2.309311|2.556078|2.317269|1.984120|2.442836|2.925911|2.161339|2.461387|2.934395|3.966871|26.519092|5.044896|7.920018|12.474802|18.103808|7.717713|36.858105| |1.539503|1.751773|1.868081|2.155934|2.347451|2.134297|1.852562|2.226062|2.693578|1.984982|2.230615|2.606208|3.538332|22.733750|4.083774|5.632029|9.334592|10.630801|6.152942|13.751900|36.858105| |1.386869|1.556761|1.652898|1.875383|2.010281|1.848533|1.633345|1.918691|2.360980|1.746486|1.942818|2.212563|2.985291|18.886861|3.188252|4.139057|7.314783|6.989772|4.355405|7.935075|13.745121|36.858105| |1.316322|1.469620|1.553995|1.751024|1.872516|1.733945|1.541000|1.803931|2.236350|1.661828|1.847851|2.084341|2.792555|17.797339|2.934592|3.790288|6.929829|6.165281|3.793116|6.867550|7.936976|13.761082|36.858105| |1.365928|1.531623|1.617205|1.830395|1.973774|1.828343|1.614615|1.914413|2.365046|1.762151|1.974046|2.242680|2.990841|19.465893|3.239668|4.308471|7.977910|6.990595|4.087983|7.944532|6.884494|7.949108|13.741212|36.858105| |1.510932|1.716073|1.817086|2.088481|2.289646|2.102882|1.825031|2.218395|2.698319|2.006822|2.276395|2.653552|3.545438|23.733149|4.188375|6.068580|10.811666|10.615615|5.460828|13.745941|7.941699|6.875778|7.930427|13.765529|36.858105| |2.146530|2.425590|2.253552|2.421041|2.927105|3.353512|2.938699|4.544372|6.902473|7.529608|12.641664|7.437626|6.864598|44.064716|3.973875|3.301459|6.015538|3.670437|2.500865|2.341041|2.134630|1.888614|1.813470|1.936404|2.202300|36.858105| |2.095045|2.300804|2.097668|2.190239|2.575130|2.992697|2.762279|3.865243|6.309547|6.799335|7.646062|4.984977|5.327505|29.593643|3.041410|2.616981|4.753824|3.026648|2.099662|1.974672|1.828658|1.645851|1.588173|1.682097|1.877261|12.612692|36.858105| |1.827070|1.972176|1.817765|1.887580|2.168802|2.453187|2.301047|3.012176|4.714897|4.539063|4.992557|3.757601|4.184296|24.504810|2.609117|2.338368|4.335288|2.734930|1.880870|1.823893|1.702157|1.553437|1.509625|1.593645|1.754042|7.479271|13.605780|36.858105| |1.766791|1.870074|1.710625|1.748283|1.974836|2.237225|2.156167|2.665165|4.218155|3.872499|3.918507|3.072083|3.590474|19.816307|2.220231|2.007854|3.687857|2.398398|1.670669|1.613902|1.518603|1.397918|1.361094|1.429262|1.557924|5.030370|8.005579|13.822445|36.858105| |1.900528|1.986895|1.788813|1.802240|2.025162|2.331522|2.298752|2.751969|4.492501|4.060160|3.802871|2.975846|3.581508|18.457298|2.120235|1.896068|3.426180|2.289764|1.619123|1.534085|1.446669|1.330173|1.291712|1.353488|1.475887|4.449380|6.873693|7.985509|14.348590|53.358707| |2.186457|2.299346|2.033755|2.040039|2.318509|2.743610|2.723078|3.305981|5.692342|5.318434|4.580386|3.440365|4.168286|20.187140|2.314476|2.022792|3.602263|2.438087|1.740901|1.612411|1.514799|1.381223|1.334941|1.400996|1.540077|5.014365|7.895209|6.953743|8.350845|19.764258|36.858105| |2.336173|2.535278|2.249213|2.299189|2.689039|3.234438|3.092144|4.151177|7.410502|8.110687|6.886138|4.589618|5.290036|25.436566|2.787252|2.372959|4.210388|2.806359|1.993704|1.827056|1.701150|1.533332|1.476124|1.556980|1.732467|7.602116|13.870712|8.041378|7.123196|11.031633|13.642307|36.858105| |2.803767|3.099317|2.672612|2.715647|3.242721|4.127090|3.968870|5.561629|11.685593|14.303210|8.018660|5.320536|6.477834|26.630752|3.007927|2.481308|4.289193|2.953955|2.141128|1.893234|1.757995|1.570862|1.503716|1.586522|1.778982|6.578416|7.894054|5.210339|4.714962|7.291649|8.132924|13.899040|73.516695| |2.370187|2.423047|2.098861|2.054972|2.294062|2.742349|2.844581|3.170167|5.513362|4.655487|3.783467|3.012355|3.843614|17.546716|2.098887|1.835816|3.227443|2.251382|1.633596|1.491466|1.408005|1.287398|1.242986|1.299823|1.423600|3.787503|5.022554|4.487912|5.211984|10.692974|12.655251|7.542365|12.246972|36.858105| |1.645494|1.782908|1.674568|1.758381|2.010368|2.212329|2.048331|2.672853|3.982119|3.661926|4.272553|3.481203|3.851416|24.900579|2.627558|2.432533|4.646503|2.820714|1.898911|1.907330|1.779140|1.633429|1.596625|1.688580|1.849360|6.418643|7.537099|12.606093|7.546407|6.887116|4.482291|5.058063|6.857381|3.310195|36.858105| |1.490644|1.593311|1.499965|1.561603|1.755984|1.915361|1.802070|2.249174|3.333510|2.946769|3.272030|2.773624|3.192715|19.921398|2.213924|2.092206|3.994438|2.477447|1.676569|1.703369|1.604333|1.493164|1.467693|1.543452|1.665759|4.381381|5.163185|8.005912|7.028506|6.426623|3.908377|4.015678|5.614575|3.010994|13.624931|73.516695| |17.541964|8.835241|6.705704|4.592465|3.966354|4.287654|5.884421|3.353978|4.457394|2.688961|2.344493|2.405937|3.809383|14.313750|2.079077|1.800835|2.938828|2.396894|1.923400|1.560645|1.478590|1.338820|1.278391|1.330413|1.467300|1.995856|1.950256|1.716894|1.665123|2.430273|2.034214|2.157856|4.528761|2.200152|1.555866|2.519180|0.500000| |17.585121|8.838661|5.570965|4.171129|3.961587|4.741096|7.253777|3.828079|5.407196|3.178644|2.655024|2.644691|4.152652|15.262613|2.149697|1.840837|3.025344|2.407583|1.903513|1.562781|1.484148|1.340375|1.275235|1.324279|1.462227|2.236396|2.223780|1.933685|1.887555|2.803318|2.396823|2.532079|5.466355|2.661874|1.718722|2.770084|0.301842|0.500000| |17.542856|8.834939|6.722465|4.597408|3.965776|4.282502|5.872221|3.349064|4.449039|2.684449|2.341306|2.403205|3.805226|14.301196|2.078203|1.801006|2.936353|2.400494|1.932997|1.564486|1.501192|1.356686|1.282488|1.321402|1.453742|1.993366|1.947604|1.714760|1.663006|2.426888|2.031041|2.154480|4.520713|2.196389|1.554177|2.516577|0.302225|0.301829|0.500000| |7.017524|8.904009|17.691375|8.937925|5.649032|4.948293|5.663150|3.568460|4.283841|2.593227|2.374221|2.584118|4.267247|15.758446|2.437322|2.103128|3.338478|2.879551|2.419890|1.848752|1.757876|1.570417|1.479778|1.532782|1.705755|1.998928|1.877632|1.650378|1.564746|2.225497|1.839054|2.004606|4.154614|1.906305|1.529967|2.458979|0.190334|0.140585|0.191257|0.500000| |4.093846|5.629068|8.930848|17.711800|8.924841|5.646042|4.967139|4.111407|4.505572|2.771664|2.670342|3.104117|5.361148|19.441129|3.263186|2.759693|4.207047|3.880992|3.479515|2.402898|2.252816|1.958573|1.823322|1.900174|2.165604|2.216660|1.999348|1.746034|1.617088|2.250971|1.847849|2.068856|4.247608|1.849378|1.648003|2.616878|0.108198|0.095976|0.108353|0.215942|0.500000| |3.542783|4.928258|5.648021|8.911348|17.773368|8.930108|5.648561|7.049383|6.477123|3.915136|3.929691|5.109349|10.477591|29.997153|5.354553|3.938757|5.746945|5.200466|4.586939|2.985166|2.696886|2.261637|2.092411|2.219271|2.625531|3.048632|2.604013|2.199035|1.975135|2.714386|2.258115|2.644797|5.540336|2.188158|2.072011|3.198948|0.090379|0.090288|0.090367|0.124260|0.214850|0.500000| |6.985744|8.926997|5.663833|4.971130|5.660178|8.952127|17.761232|7.120013|10.664953|5.179698|3.964714|3.927509|6.499323|20.659383|2.829533|2.309419|3.762840|2.934006|2.299771|1.855443|1.736601|1.542108|1.461088|1.530148|1.719159|3.082341|2.991207|2.470244|2.342328|3.468688|3.088719|3.478956|8.247177|3.321406|2.152495|3.367398|0.152240|0.222405|0.151770|0.124281|0.107824|0.124532|0.500000| |2.334008|2.848904|2.984727|3.686953|4.717700|4.261591|3.260603|4.868506|5.213625|3.750065|4.473252|6.523237|9.594352|56.510385|17.628137|8.846460|11.080780|9.379929|6.654742|4.610174|3.681779|2.947690|2.776291|3.117689|4.027364|3.715527|2.914243|2.493374|2.146934|2.820901|2.276467|2.726038|5.313068|2.089176|2.475867|3.738366|0.061573|0.062641|0.060302|0.072771|0.100042|0.171315|0.082679|0.500000| |2.346098|2.867095|3.003858|3.715255|4.767561|4.303344|3.284707|4.919636|5.253157|3.772723|4.497143|6.579129|9.731612|56.464742|17.640457|8.816747|10.901681|9.523135|7.046750|4.677550|4.049599|3.135875|2.804480|2.991942|3.749351|3.724392|2.921139|2.496772|2.150148|2.826701|2.282807|2.734928|5.337423|2.095673|2.476558|3.738607|0.060617|0.062970|0.061827|0.073165|0.100709|0.173631|0.083224|0.303779|0.500000| |2.068683|2.466314|2.729542|3.384826|3.794620|3.181789|2.617847|3.198129|3.614418|2.538880|2.805788|3.507981|5.246667|28.289567|6.179910|6.476084|8.416130|12.205408|17.541409|6.262643|5.848278|4.166481|3.485085|3.568203|4.463483|2.485204|2.096954|1.873928|1.669266|2.210129|1.750588|2.002835|3.841947|1.648607|1.881130|2.954590|0.054456|0.054308|0.055814|0.069633|0.100799|0.131754|0.065550|0.159197|0.206161|0.500000| |1.881973|2.205568|2.450841|2.979520|3.216206|2.723270|2.300973|2.711783|3.134558|2.215550|2.431379|2.953756|4.332370|24.007509|4.931360|5.725756|7.854115|12.544220|17.649058|7.580750|6.329252|4.667526|4.101983|4.390415|5.690744|2.200789|1.883048|1.706771|1.531008|2.023704|1.589305|1.797272|3.412203|1.501222|1.726982|2.742623|0.050513|0.049348|0.050543|0.063750|0.090381|0.107847|0.058004|0.140037|0.139948|0.301351|0.500000| |2.205771|2.670391|2.974510|3.787202|4.359076|3.557049|2.856848|3.563176|3.930545|2.732656|3.024353|3.880749|5.980057|30.906937|7.346213|6.971025|8.681648|12.313925|17.618307|5.754046|4.615985|3.535595|3.219568|3.542071|4.631192|2.627408|2.199304|1.946365|1.728667|2.294626|1.828968|2.106814|4.080033|1.722798|1.941344|3.031383|0.058782|0.057721|0.058290|0.074940|0.112798|0.159199|0.070796|0.235862|0.209008|0.300544|0.303245|0.500000| |1.603429|1.831248|1.958253|2.269155|2.472376|2.236943|1.936016|2.322799|2.796333|2.048738|2.292211|2.689571|3.688749|23.062441|4.172080|5.417262|8.651079|9.780181|6.343541|8.927900|17.714511|8.904513|5.643633|4.957833|5.649976|2.172044|1.861210|1.722822|1.538511|2.002577|1.546968|1.739947|3.214834|1.441655|1.787333|2.858135|0.042509|0.042858|0.043648|0.051101|0.065931|0.079083|0.050244|0.102310|0.121226|0.189437|0.172254|0.130053|0.500000| |1.333055|1.487301|1.577867|1.776501|1.887746|1.741874|1.552528|1.798028|2.226626|1.644439|1.813764|2.043001|2.763905|17.090043|2.820833|3.497072|6.178678|5.672775|3.740646|5.648215|8.926785|17.718433|8.911581|5.647741|4.953542|1.767050|1.555346|1.474208|1.334594|1.732342|1.318800|1.455350|2.647392|1.233741|1.546954|2.529899|0.035706|0.035798|0.036425|0.041849|0.051555|0.058396|0.040804|0.072431|0.078640|0.103693|0.110606|0.086035|0.215117|0.500000| |1.226635|1.358600|1.432624|1.598620|1.695575|1.579663|1.418074|1.637684|2.048397|1.523451|1.681230|1.870635|2.504259|15.703944|2.521396|3.134111|5.772668|4.910114|3.141213|4.949269|5.644333|8.914563|17.718636|8.907751|5.642712|1.660701|1.471048|1.408969|1.278723|1.652644|1.249083|1.370904|2.472676|1.166224|1.492123|2.460759|0.033169|0.033060|0.033279|0.038095|0.046189|0.052046|0.037496|0.066749|0.067348|0.081636|0.094103|0.076006|0.124076|0.214687|0.500000| |1.300276|1.448674|1.523515|1.709651|1.834463|1.711781|1.523951|1.791378|2.232214|1.667487|1.859073|2.085035|2.771047|17.863510|2.883811|3.680418|6.914198|5.671659|3.446808|5.652569|4.958135|5.649571|8.909084|17.719329|8.937213|1.837684|1.610445|1.536440|1.383848|1.782256|1.349548|1.491488|2.689363|1.253133|1.632496|2.671416|0.035336|0.035094|0.034886|0.040239|0.049157|0.056729|0.040289|0.078430|0.073539|0.084118|0.102308|0.086233|0.107610|0.124112|0.214693|0.500000| |1.548278|1.761802|1.858968|2.137039|2.358322|2.175368|1.882366|2.308672|2.806968|2.092711|2.383622|2.785574|3.705379|25.034682|4.381133|6.172104|11.063707|9.779977|5.174268|8.942698|5.655408|4.955063|5.638391|8.899356|17.737480|2.304303|1.955599|1.822148|1.613568|2.078952|1.596033|1.801201|3.288938|1.472060|1.919938|3.062249|0.041917|0.041685|0.041098|0.048301|0.061213|0.075161|0.049308|0.121701|0.104696|0.114815|0.145660|0.131055|0.124414|0.107561|0.123992|0.214867|0.500000| |2.017546|2.275078|2.141276|2.313393|2.773948|3.098996|2.711733|4.066765|5.910388|5.875182|8.905541|6.651060|6.303560|45.679699|4.046224|3.443774|6.426325|3.781961|2.528539|2.424805|2.176408|1.932512|1.879148|2.033743|2.321875|17.521104|8.914232|6.723144|4.620715|5.440030|4.308718|5.918919|9.266725|3.347889|6.578502|7.968540|0.052773|0.057968|0.051934|0.053090|0.059460|0.081207|0.077969|0.106764|0.100869|0.068455|0.062074|0.073932|0.060607|0.049823|0.047750|0.053985|0.068477|0.500000| |2.017408|2.275018|2.141298|2.313501|2.774124|3.099031|2.711632|4.066813|5.910417|5.875129|8.905583|6.651303|6.303621|45.670337|4.048628|3.450509|6.416018|3.798415|2.550663|2.440330|2.250609|1.987473|1.892636|2.002952|2.270729|17.521179|8.913971|6.722949|4.620599|5.439899|4.308616|5.918809|9.266796|3.347829|6.578486|7.968228|0.051985|0.057974|0.052704|0.053091|0.059464|0.081217|0.077962|0.100713|0.106882|0.071196|0.062125|0.072979|0.064043|0.051828|0.048088|0.052449|0.065132|0.304652|0.500000| |1.609769|1.692446|1.560539|1.593245|1.780908|1.988609|1.923098|2.322776|3.593077|3.185294|3.256091|2.661571|3.152044|17.710367|2.020620|1.860230|3.441336|2.238460|1.554598|1.523342|1.439992|1.336296|1.306296|1.368347|1.479290|4.081085|5.670215|8.954146|17.780410|12.697454|5.902103|5.086537|6.628233|4.264722|6.971273|14.469290|0.042377|0.047563|0.042327|0.039949|0.041240|0.049607|0.057543|0.054243|0.054301|0.043096|0.039827|0.044423|0.040406|0.035537|0.034257|0.036951|0.042473|0.108185|0.108183|0.500000| |2.550157|2.594611|2.221732|2.158590|2.406098|2.906413|3.061253|3.329779|5.859391|4.777678|3.777792|3.048853|3.960575|17.532710|2.121652|1.845788|3.220867|2.273276|1.662306|1.501668|1.425614|1.299974|1.247364|1.297877|1.422159|3.645036|4.601437|4.011813|4.436268|8.240121|8.865030|6.707593|12.306770|17.560860|3.054115|4.913804|0.064693|0.080392|0.066101|0.055898|0.053647|0.063180|0.100836|0.058380|0.059696|0.046999|0.042356|0.048637|0.040810|0.034710|0.032482|0.034611|0.040633|0.087734|0.091636|0.103022|0.500000| |2.550846|2.595151|2.222044|2.158821|2.406374|2.906957|3.062038|3.330470|5.860989|4.778963|3.778453|3.049316|3.961253|17.535226|2.121544|1.844919|3.222434|2.269919|1.656266|1.498126|1.406190|1.284227|1.243534|1.306266|1.434633|3.645435|4.601807|4.011795|4.435922|8.238973|8.865018|6.708700|12.310795|17.560980|3.054091|4.913666|0.066249|0.080389|0.064603|0.055905|0.053651|0.063184|0.100874|0.059504|0.058587|0.046184|0.042344|0.048922|0.039875|0.034087|0.032379|0.035046|0.041415|0.091644|0.087742|0.103012|0.303159|0.500000| |2.144652|2.161315|1.893067|1.847874|2.033292|2.379830|2.475338|2.687229|4.484884|3.694445|3.154759|2.589620|3.316390|15.582834|1.885637|1.675010|2.960920|2.068092|1.498017|1.383241|1.311597|1.207607|1.169390|1.219804|1.326633|3.236464|4.203916|4.053955|4.993246|10.421532|8.990859|5.604273|8.852982|17.627629|3.086877|5.192467|0.055838|0.066565|0.055749|0.048316|0.046632|0.054081|0.078922|0.052082|0.052222|0.041961|0.038489|0.043650|0.037231|0.032242|0.030610|0.032776|0.038039|0.081396|0.081392|0.119862|0.299633|0.299630|0.500000| |1.644027|1.792285|1.693754|1.790972|2.054948|2.245011|2.058193|2.718931|3.984792|3.640670|4.374219|3.643856|3.985993|26.931792|2.796618|2.602209|5.027848|2.986599|1.989534|2.016464|1.855833|1.701498|1.676643|1.793670|1.975415|6.579577|6.775868|8.909175|5.894856|5.907853|4.019904|4.650207|6.591396|3.062506|17.499784|16.519602|0.043418|0.047450|0.042932|0.042948|0.046761|0.059290|0.059605|0.073732|0.071640|0.054107|0.050230|0.056723|0.051311|0.044415|0.043400|0.048370|0.057595|0.218105|0.177113|0.151641|0.078203|0.080951|0.078896|0.500000| |1.643921|1.792209|1.693714|1.790956|2.054929|2.244932|2.058087|2.718807|3.984639|3.640482|4.373838|3.643562|3.985734|26.926641|2.797173|2.604910|5.022389|2.994531|2.000217|2.025300|1.901451|1.738855|1.686185|1.772173|1.943260|6.578648|6.775494|8.909246|5.895216|5.908087|4.019962|4.650145|6.591291|3.062545|17.499706|16.519523|0.042971|0.047453|0.043367|0.042947|0.046761|0.059291|0.059601|0.071626|0.073712|0.055438|0.050255|0.056282|0.053360|0.045827|0.043653|0.047245|0.055543|0.177079|0.218069|0.151654|0.080953|0.078205|0.078896|0.302262|0.500000| |1.410847|1.510024|1.433134|1.498289|1.678938|1.810290|1.696146|2.108145|3.071153|2.670553|2.997064|2.616927|3.025563|19.393064|2.174992|2.092451|4.045558|2.480252|1.664360|1.722252|1.624795|1.520942|1.501329|1.578368|1.693828|3.926269|4.305045|5.936387|5.211130|5.205883|3.287610|3.417678|4.967873|2.624316|9.863252|35.783959|0.037357|0.040732|0.037321|0.036828|0.039471|0.048076|0.049108|0.057152|0.057130|0.045712|0.042673|0.046728|0.045031|0.040267|0.039430|0.042804|0.048582|0.114203|0.114206|0.162957|0.067782|0.067779|0.070853|0.230212|0.230256|0.500000|
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