Version2.1 2021-01-08T09:35:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCS(=O)(=O)Oc1cccc(c1)c2c(n3ccc(cc3[nH+]2)C)NC(C)(C)CC(C)(C)C C35191192 RHF 6-31G(d) (6D,7F) CCCCS(=O)(=O)Oc1cccc(c1)c2c(n3ccc(cc3[nH+]2)C)NC(C)(C)CC(C)(C)C C01[X(C26H38N3O3S1)] 207 C1 575 CCCCS(=O)(=O)Oc1cccc(c1)c1[nH+]c2n(c1NC(CC(C)(C)C)(C)C)ccc(c2)C CCCCS(=O)(=O)Oc1cccc(c1)c1[nH+]c2n(c1NC(CC(C)(C)C)(C)C)ccc(c2)C CCCC[S](=O)(=O)Oc1cccc(c1)c2[nH+]c3cc(C)ccn3c2NC(C)(C)CC(C)(C)C InChIKey=VABFTOGMCTVRIN-UHFFFAOYSA-O InChI=1S/C26H37N3O3S/c1-8-9-15-33(30,31)32-21-12-10-11-20(17-21)23-24(28-26(6,7)18-25(3,4)5)29-14-13-19(2)16-22(29)27-23/h10-14,16-17,28H,8-9,15,18H2,1-7H3/p+1 InChI=1/C26H37N3O3S/c1-8-9-15-33(30,31)32-21-12-10-11-20(17-21)23-24(28-26(6,7)18-25(3,4)5)29-14-13-19(2)16-22(29)27-23/h10-14,16-17,28H,8-9,15,18H2,1-7H3/p+1/fC26H38N3O3S/h27H/q+1 CCCCS(=O)(=O)Oc1cccc(c1)c2c(n3ccc(cc3[nH+]2)C)NC(C)(C)CC(C)(C)C C01[X(C26H38N3O3S1)] 207 C01 575 CCCCS(=O)(=O)Oc1cccc(c1)c1[nH+]c2n(c1NC(CC(C)(C)C)(C)C)ccc(c2)C CCCCS(=O)(=O)O[C]1[CH][CH][CH][C]([CH]1)C1=C(NC(CC(C)(C)C)(C)C)[N]2[C]([CH]=[C]([CH]=C2)C)N1 CCCC[S](=O)(=O)O[C]1[CH][CH][CH][C]([CH]1)C2=C(NC(C)(C)CC(C)(C)C)N3C=CC(=C[C]3N2)C InChIKey=YHUFWYMXGVTMLE-UHFFFAOYSA-N InChI=1S/C26H38N3O3S/c1-8-9-15-33(30,31)32-21-12-10-11-20(17-21)23-24(28-26(6,7)18-25(3,4)5)29-14-13-19(2)16-22(29)27-23/h10-14,16-17,27-28H,8-9,15,18H2,1-7H3 InChI=1/C26H38N3O3S/c1-8-9-15-33(30,31)32-21-12-10-11-20(17-21)23-24(28-26(6,7)18-25(3,4)5)29-14-13-19(2)16-22(29)27-23/h10-14,16-17,27-28H,8-9,15,18H2,1-7H3 3719.1649715649 -1791.8950536 1-A 22014.8898 127 448 575 |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| -92.30548 -20.72160 -20.64531 -20.64261 -15.80314 -15.77188 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5537.63 5556.28 0.654952 0.687827 0.688771 0.587887 -1791.240102 -1791.207227 -1791.206283 -1791.307167 3.383666D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE CCCCS(=O)(=O)Oc1cccc(c1)c2c(n3ccc(cc3[nH+]2)C)NC(C)(C)CC(C)(C)C C35191192 RHF 6-31G(d) (6D,10F) C1 472.263389 |X|Y|Z| 74.240883 38.462058 122.571610 70.472852 15 6 7 13 2 |36.858105| |12.469647|36.858105| |7.502662|12.441404|36.858105| |4.894091|7.549341|12.430974|36.858105| |3.617789|4.636813|6.984745|10.760255|388.023441| |3.397441|4.115490|5.906775|7.210142|94.774655|73.516695| |3.399916|4.118024|5.909805|7.206259|95.177081|13.776087|73.516695| |2.963931|3.757897|4.821395|7.471343|84.042176|13.790024|13.769309|73.516695| |2.469769|2.973871|3.667632|4.905180|52.798043|11.104092|11.256269|24.495452|36.858105| |2.239751|2.646102|3.159573|4.023793|38.716172|7.994706|9.826042|14.221178|13.796363|36.858105| |1.941194|2.231040|2.605204|3.144217|28.914892|6.526041|7.453818|9.300123|8.002085|13.756940|36.858105| |1.840389|2.091200|2.438289|2.886020|26.600616|6.487349|6.583740|8.189954|6.920760|7.922908|13.751595|36.858105| |1.963800|2.244881|2.653196|3.168762|30.102724|7.851842|6.965553|9.280000|7.978557|6.846737|7.927538|13.712758|36.858105| |2.274902|2.670423|3.246953|4.079758|41.735793|10.928735|8.767566|14.213882|13.815358|7.904540|6.870227|7.924457|13.711228|36.858105| |1.808700|2.027363|2.359997|2.714309|24.611834|6.817804|5.683256|6.985445|5.106955|4.476498|5.063118|7.631356|12.908302|7.721112|36.858105| |1.613527|1.788575|2.034595|2.302031|19.873190|5.408779|4.643233|5.591017|3.875817|3.587940|4.131215|5.849252|7.334501|5.164466|14.115410|36.858105| |1.557626|1.702411|1.929668|2.130767|18.158655|5.076451|4.258347|4.876060|3.223187|2.955756|3.274535|4.274063|5.193289|4.147603|8.645758|13.355622|53.358707| |1.410451|1.525028|1.703187|1.853736|15.371772|4.244294|3.640389|4.080710|2.624245|2.459066|2.709603|3.371922|3.822598|3.203706|5.379547|7.540488|18.987434|36.858105| |1.373857|1.469635|1.635576|1.751005|14.375944|4.010663|3.416143|3.721173|2.337088|2.180619|2.353124|2.831034|3.190275|2.796971|4.231172|5.129984|11.063804|14.162018|36.858105| |1.465458|1.560073|1.749979|1.853941|15.331826|4.379665|3.633915|3.871270|2.402249|2.203397|2.331762|2.772531|3.193563|2.886179|4.184354|4.572968|9.407986|7.888142|13.317841|36.858105| |1.630282|1.748945|1.995477|2.127959|18.069885|5.300542|4.246221|4.525268|2.834752|2.540751|2.666760|3.217831|3.873232|3.515332|5.272866|5.283669|10.808499|6.859932|7.925622|13.979436|36.858105| |1.687480|1.840130|2.116507|2.317188|20.156178|5.859529|4.698955|5.230687|3.413953|3.032611|3.251633|4.145062|5.287802|4.479137|8.539508|8.416909|19.347408|8.105954|7.019738|8.022970|13.561854|36.858105| |1.868901|2.069790|2.432636|2.723605|24.858335|7.345279|5.723977|6.533169|4.448850|3.794313|4.031170|5.328059|7.738866|6.380598|13.713404|8.606075|12.078306|5.532870|4.740953|5.206066|7.652126|14.326666|53.358707| |2.033503|2.254015|2.705002|3.010234|28.478989|8.848616|6.531110|7.126337|4.748335|3.923160|3.991651|4.980015|7.059906|6.700363|8.987165|6.011730|8.339599|4.376962|3.998814|4.584858|6.710155|9.195591|25.991165|0.500000| |1.391680|1.462034|1.624446|1.690738|13.714683|3.902071|3.272294|3.402592|2.064820|1.906338|1.990789|2.295450|2.583066|2.406222|3.175170|3.360096|6.087952|5.047610|7.522521|12.666098|7.595918|5.039990|5.200248|0.099612|36.858105| |1.489044|1.648293|1.845190|2.088091|17.518326|4.613070|4.137017|5.010534|3.429261|3.331585|3.934320|5.342211|5.727368|4.236318|7.589563|13.845029|10.653252|6.350961|4.392499|3.717880|3.961072|5.359871|7.247245|0.117361|2.883665|53.358707| |1.415672|1.566127|1.724677|1.948709|15.820411|4.138728|3.692157|4.546324|2.994054|2.895287|3.276319|4.066339|4.336424|3.560379|5.170266|7.346713|7.616257|5.226996|3.863351|3.243389|3.326052|4.158281|5.506543|0.093839|2.613460|17.296926|36.858105| |1.449616|1.601391|1.757128|1.975273|15.845849|4.242812|3.623212|4.491147|2.869101|2.665631|2.878335|3.477973|3.959927|3.465079|4.869601|6.507969|7.808607|5.477733|4.184080|3.536597|3.596402|4.392047|5.607252|0.095847|2.841568|10.430471|12.463731|36.858105| |1.273786|1.392875|1.520448|1.689686|13.539942|3.525425|3.214657|3.798037|2.451251|2.420335|2.739894|3.282316|3.349661|2.815013|3.907326|5.266213|6.335353|4.962255|3.787439|3.057940|2.983801|3.521581|4.480008|0.078212|2.527429|10.702546|12.368008|7.641640|36.858105| |1.421972|1.585567|1.732467|1.982032|15.854128|4.030773|3.701742|4.687636|3.081423|3.061886|3.464236|4.089050|4.123702|3.499665|4.331564|5.232537|5.465529|3.687828|2.945178|2.596047|2.703470|3.288216|4.607266|0.082004|2.169637|10.249020|12.176714|7.312534|7.710369|36.858105| |1.526504|1.724044|1.873413|2.181581|17.153086|4.306827|3.921060|5.234373|3.378574|3.293986|3.545190|3.968833|4.113526|3.749989|4.029533|4.388570|4.701939|3.096186|2.573994|2.357565|2.503454|3.007629|4.364871|0.079940|2.001869|7.218234|6.842781|5.920777|4.843455|12.243590|36.858105| |1.482470|1.665539|1.784049|2.052373|15.697302|3.996628|3.548635|4.666725|2.875643|2.728972|2.827095|3.103094|3.322676|3.178364|3.373327|3.668814|4.230233|2.878535|2.459379|2.260406|2.363627|2.751470|3.883774|0.071969|1.950379|5.696001|5.545983|5.874434|4.291893|7.395145|12.373232|36.858105| |1.464305|1.652560|1.775838|2.064434|15.936286|3.891633|3.711033|4.866542|3.092239|3.166201|3.409940|3.577335|3.468777|3.223363|3.246958|3.421297|3.791007|2.546144|2.171199|2.007591|2.118716|2.484900|3.617497|0.067919|1.739970|5.517076|4.779466|4.077597|3.925125|7.731556|12.355987|7.678478|36.858105| |1.735250|1.993357|2.203449|2.640444|21.255706|5.316811|4.735467|6.837085|4.562292|4.252606|4.428517|4.983203|5.494079|5.202499|4.960324|4.900761|5.057461|3.146639|2.629090|2.483049|2.733291|3.364986|5.177011|0.095707|2.090200|7.210529|5.701937|5.293184|3.991767|7.375047|12.448575|7.595897|7.665740|36.858105| |17.549890|8.777134|6.800345|4.516753|25.057375|5.789956|6.198523|5.079529|2.414718|2.225003|1.935208|1.823770|1.925676|2.210100|1.768560|1.576792|2.072574|1.380256|1.345504|1.435447|1.595880|1.650118|2.488169|0.055363|1.365160|1.982167|1.376534|1.399064|1.243885|1.381501|1.472368|1.419725|1.418216|1.668134|0.500000| |17.547452|8.775950|6.798763|4.516081|25.040788|6.190839|5.791574|5.078030|2.410223|2.161193|1.891171|1.818370|1.961269|2.267857|1.829949|1.633124|2.166578|1.443089|1.414807|1.520877|1.695092|1.738120|2.607888|0.058195|1.452044|2.038066|1.422396|1.467046|1.280511|1.416365|1.513687|1.476871|1.439460|1.718024|0.301481|0.500000| |17.568341|8.799739|5.472135|4.067695|21.876095|5.152082|5.155610|4.682903|2.225511|2.041264|1.785475|1.694059|1.796938|2.058875|1.663617|1.499439|1.971115|1.320487|1.287183|1.365696|1.506272|1.556229|2.325347|0.051123|1.301669|1.898782|1.336756|1.370078|1.208322|1.348206|1.450244|1.417646|1.399169|1.634078|0.301822|0.301800|0.500000| |8.858888|17.525212|8.851114|6.953533|30.856912|6.531010|7.127363|6.575486|2.933107|2.676231|2.244024|2.069303|2.184132|2.577364|1.952275|1.730250|2.223107|1.466436|1.406084|1.480023|1.650151|1.747160|2.673242|0.058880|1.383814|2.192110|1.534163|1.555272|1.367533|1.568986|1.712077|1.646447|1.662046|1.973570|0.210842|0.172961|0.213138|0.500000| |8.857231|17.522337|8.848810|6.952723|30.829290|7.119444|6.531266|6.573049|2.925373|2.568163|2.176733|2.061593|2.236243|2.669812|2.035301|1.805046|2.339552|1.541952|1.485195|1.573525|1.759766|1.851928|2.822403|0.062299|1.473886|2.267999|1.598048|1.649690|1.416363|1.620345|1.777666|1.736937|1.696397|2.057254|0.172956|0.210778|0.213102|0.303567|0.500000| |6.867926|8.832005|17.560615|8.855635|46.650429|11.736733|9.536535|7.955079|3.529113|2.982256|2.510763|2.409351|2.674121|3.268366|2.429592|2.089827|2.735437|1.772052|1.715412|1.857509|2.132834|2.236436|3.489076|0.080176|1.731486|2.549759|1.746991|1.798682|1.539724|1.732078|1.860582|1.783397|1.741109|2.183798|0.168953|0.203739|0.140448|0.173537|0.211582|0.500000| |6.867769|8.832956|17.563236|8.858014|46.740035|9.539224|11.759354|7.959737|3.542783|3.155937|2.615978|2.421689|2.586033|3.102499|2.291456|1.975784|2.553632|1.659684|1.596253|1.708323|1.945083|2.058121|3.217499|0.073231|1.589804|2.443026|1.664277|1.677922|1.477412|1.669641|1.785649|1.685682|1.704020|2.084295|0.203780|0.168897|0.140458|0.211696|0.173524|0.302700|0.500000| |4.513622|6.806685|8.737160|17.606818|58.462992|9.672488|12.019738|12.692786|4.781949|4.175838|3.207457|2.850081|3.026219|3.800977|2.556360|2.192217|2.733639|1.757870|1.651905|1.729450|1.964279|2.148840|3.414437|0.075727|1.577422|2.752266|1.895456|1.897000|1.650793|1.957413|2.165328|2.022435|2.090161|2.606445|0.119198|0.110810|0.108244|0.205641|0.169970|0.172816|0.210933|0.500000| |4.510001|6.797232|8.731840|17.606481|58.395853|12.033777|9.668976|12.696044|4.753947|3.796970|3.019884|2.831930|3.174115|4.126631|2.756458|2.354175|2.964099|1.895280|1.787102|1.887107|2.161235|2.357668|3.750322|0.083626|1.717518|2.910666|2.022601|2.079778|1.740661|2.062093|2.305433|2.200595|2.161239|2.812957|0.110755|0.119117|0.108149|0.169720|0.205272|0.210883|0.172794|0.300138|0.500000| |2.316198|2.754596|3.252501|4.155023|37.436328|7.287331|10.080805|13.035786|8.955666|17.755531|8.861654|5.628335|4.941676|5.646269|3.575851|2.988271|3.449398|2.160561|1.943157|1.966076|2.236174|2.598785|4.283216|0.090924|1.729177|3.852623|2.526637|2.343286|2.160739|2.700650|2.925702|2.476734|2.907886|3.638248|0.064399|0.061129|0.058792|0.079160|0.073351|0.082894|0.091606|0.126529|0.106050|0.500000| |1.811887|2.059617|2.363765|2.790538|24.537018|5.512357|6.523131|7.510874|5.677624|8.937741|17.739355|8.927505|5.643990|4.952305|4.117309|3.576918|3.958550|2.480063|2.170029|2.132304|2.390387|2.848757|4.609858|0.092729|1.843065|4.827831|3.012469|2.610789|2.604314|3.235381|3.254284|2.609357|3.267569|3.835707|0.050514|0.048812|0.046614|0.058104|0.055574|0.062888|0.066639|0.080383|0.074035|0.213634|0.500000| |1.673178|1.874004|2.153172|2.485958|22.127597|5.475589|5.556712|6.501876|4.978807|5.647750|8.937139|17.732937|8.889520|5.636007|7.010057|6.168668|6.082795|3.598458|2.968129|2.834009|3.212743|4.125915|6.762637|0.124427|2.334667|8.227649|4.354228|3.539167|3.618355|4.286986|3.876321|3.015682|3.526441|4.496973|0.046198|0.046043|0.043045|0.051555|0.051343|0.059358|0.059685|0.068337|0.067885|0.123956|0.215925|0.500000| |2.386104|2.804826|3.426297|4.269655|42.611286|12.841193|8.284386|13.068704|8.987205|5.652381|4.954413|5.624365|8.839066|17.759648|7.073700|4.920908|5.715105|3.247270|2.886800|3.044571|3.775512|4.730812|9.138762|0.204420|2.542739|5.369867|3.424863|3.520681|2.715651|3.285535|3.553635|3.159653|2.996271|4.835190|0.063562|0.066990|0.059777|0.073672|0.079129|0.098680|0.088629|0.105809|0.124661|0.124780|0.107578|0.123542|0.500000| |1.337705|1.447643|1.604257|1.751830|14.369267|3.893531|3.418051|3.865215|2.488470|2.375481|2.649022|3.274306|3.575327|2.978601|4.777877|6.940147|12.536915|17.854276|8.911774|5.584025|4.959130|5.801833|6.161587|0.102331|4.081193|9.642892|6.170199|6.056869|6.492782|4.117764|3.287054|3.040086|2.703605|3.201027|0.036380|0.037835|0.034944|0.038908|0.040691|0.045997|0.043459|0.046570|0.049787|0.058299|0.068294|0.099183|0.082411|0.500000| |1.277992|1.359544|1.499198|1.595298|12.908350|3.561403|3.083665|3.335934|2.073563|1.956457|2.107059|2.486074|2.732772|2.427017|3.459707|4.136750|7.825121|9.116526|17.754766|8.759762|5.646372|5.031195|5.097340|0.090710|6.981299|5.165278|3.500504|3.767207|3.621283|2.719479|2.370466|2.295569|2.029130|2.369708|0.034797|0.036531|0.033419|0.036229|0.038185|0.043551|0.040704|0.042017|0.045218|0.048971|0.054682|0.072762|0.069214|0.214138|0.500000| |1.724388|1.838071|2.112467|2.220491|18.912316|5.680564|4.443750|4.591659|2.818998|2.499789|2.568076|3.020320|3.628876|3.442939|4.616994|4.323850|7.727972|4.949398|5.603059|8.904761|17.755016|8.879030|9.238248|0.190846|6.903149|4.554276|2.865660|3.083752|2.574702|2.414983|2.289181|2.173725|1.965781|2.528948|0.046931|0.050202|0.044020|0.047777|0.051215|0.063535|0.057280|0.056343|0.062353|0.061602|0.063907|0.082161|0.104526|0.107727|0.123231|0.500000| |1.312229|1.373459|1.520908|1.578696|12.773367|3.581617|3.087118|3.171359|1.929474|1.808186|1.904021|2.184535|2.403282|2.218272|2.906916|3.100525|5.472305|4.656054|6.772581|8.913934|5.922229|4.336952|4.623818|0.088791|17.561693|3.713096|2.466748|2.613094|2.443202|2.061641|1.884938|1.825434|1.657854|1.948965|0.035927|0.037899|0.034167|0.036279|0.038299|0.044761|0.041615|0.041193|0.044282|0.045788|0.049479|0.062501|0.064053|0.108638|0.193084|0.150734|0.500000| |1.345457|1.411997|1.554766|1.617629|12.932392|3.663787|3.062998|3.226770|1.941279|1.790549|1.859456|2.126894|2.389226|2.248730|2.902018|3.108153|5.488989|4.654946|6.743787|8.916548|5.929318|4.338853|4.610155|0.088128|17.560756|3.718697|2.556918|2.847161|2.492850|2.126640|1.971126|1.953852|1.710289|2.035914|0.036510|0.039023|0.035121|0.037133|0.039768|0.046003|0.042042|0.041976|0.045970|0.045325|0.047928|0.059891|0.066376|0.108343|0.190569|0.150808|0.302167|0.500000| |1.457025|1.522216|1.697574|1.749030|14.195681|4.087595|3.387975|3.459900|2.077495|1.904267|1.964551|2.240806|2.533919|2.408042|3.052477|3.104428|5.413440|4.174394|5.534732|8.853265|7.247737|4.731643|5.120489|0.102030|17.616191|3.595879|2.388869|2.587330|2.276815|2.024685|1.899322|1.850316|1.661559|2.009575|0.039730|0.042484|0.037731|0.039794|0.042541|0.050683|0.046199|0.045034|0.049215|0.048148|0.050391|0.062515|0.071336|0.095609|0.139960|0.217499|0.300932|0.300976|0.500000| |1.469693|1.627555|1.822584|2.066419|17.395003|4.484736|4.183470|5.007951|3.481580|3.532446|4.384503|6.065984|5.765889|4.152044|6.735741|9.526313|8.247350|5.112770|3.776460|3.276955|3.496940|4.576630|6.456687|0.108711|2.612523|26.039468|9.059691|5.657278|6.889960|7.215714|5.077736|3.850831|4.163593|5.057480|0.040128|0.040834|0.038255|0.044463|0.045424|0.050975|0.049623|0.056164|0.058197|0.083276|0.112346|0.210922|0.103330|0.157158|0.092758|0.084166|0.069780|0.068334|0.067199|0.500000| |1.412132|1.546429|1.699022|1.884394|15.154202|4.113988|3.486979|4.189449|2.655128|2.461507|2.653484|3.209063|3.667590|3.212652|4.707934|6.451327|9.078817|7.103971|5.271889|4.208109|4.101182|4.888895|5.781904|0.097808|3.300522|9.401681|8.774642|17.579509|7.072822|5.383900|4.442920|4.440289|3.325265|4.171414|0.037931|0.039914|0.037039|0.041519|0.044143|0.048677|0.045215|0.049967|0.054837|0.060379|0.067175|0.091651|0.091841|0.220776|0.131014|0.094771|0.083561|0.092805|0.081428|0.142408|0.500000| |1.383115|1.523827|1.651915|1.848696|14.520295|3.851074|3.322665|4.104114|2.565980|2.404653|2.562780|2.989203|3.311974|2.998689|3.846255|4.764749|5.941585|4.361790|3.562307|3.053995|3.049458|3.548667|4.572923|0.080890|2.551460|7.584468|8.878665|17.620615|6.951064|6.807924|5.852282|6.704124|4.128343|4.809634|0.036999|0.038831|0.036532|0.041231|0.043796|0.046831|0.043725|0.049571|0.054310|0.059731|0.065524|0.084178|0.084863|0.134828|0.092650|0.074328|0.065685|0.072208|0.064856|0.125873|0.304606|0.500000| |1.572668|1.752472|1.934135|2.198764|17.726207|4.800514|3.971289|5.086664|3.245817|2.920513|3.082756|3.726667|4.474868|4.034292|5.489596|6.746665|7.824415|5.000195|3.955048|3.537993|3.763949|4.698214|6.277787|0.107449|2.838188|9.345650|8.703717|17.616051|5.502834|6.477447|6.192859|6.215346|4.127922|6.263812|0.041944|0.044271|0.041146|0.047073|0.050415|0.055173|0.050866|0.058192|0.065015|0.070608|0.075971|0.101223|0.117153|0.140862|0.096626|0.091029|0.071366|0.078598|0.073167|0.145110|0.301718|0.302314|0.500000| |1.243542|1.358594|1.482890|1.647341|13.222938|3.400211|3.180059|3.713604|2.412102|2.439813|2.818361|3.351439|3.269277|2.718693|3.681235|4.776674|5.628747|4.309732|3.380210|2.787827|2.742929|3.222489|4.189772|0.074082|2.334850|9.695926|8.749349|5.522705|17.551360|7.144322|4.513983|3.827651|3.924772|3.751013|0.033877|0.034595|0.032779|0.037229|0.038182|0.041487|0.040269|0.045024|0.046779|0.060786|0.075951|0.105818|0.071467|0.151135|0.090255|0.066569|0.063570|0.063283|0.058914|0.202561|0.142757|0.141735|0.122492|0.500000| |1.223529|1.335455|1.444752|1.600724|12.624713|3.276328|2.986604|3.534790|2.240534|2.207154|2.449961|2.846638|2.912544|2.531787|3.301187|4.192887|5.210607|4.107218|3.323822|2.736246|2.649595|3.037163|3.885812|0.069219|2.323002|7.656867|8.754649|6.954026|17.577547|6.999328|4.732020|4.518691|3.920253|3.726646|0.033109|0.034153|0.032388|0.036473|0.037875|0.040595|0.038879|0.043539|0.046031|0.055435|0.065065|0.085170|0.068594|0.142146|0.090422|0.064503|0.062346|0.064680|0.058406|0.141014|0.175531|0.208143|0.140702|0.301879|0.500000| |1.251472|1.360046|1.487333|1.637534|13.160905|3.466210|3.134214|3.626976|2.327072|2.278573|2.563048|3.081514|3.193934|2.691559|3.859542|5.299400|7.031033|6.121552|4.556219|3.477364|3.273353|3.793281|4.605801|0.079854|2.842427|9.736145|8.711960|6.932583|17.583293|5.527455|3.925045|3.608422|3.239479|3.446926|0.033991|0.035100|0.032938|0.036931|0.038357|0.042095|0.040226|0.044179|0.046735|0.056580|0.067530|0.094440|0.072986|0.252205|0.123450|0.076987|0.076827|0.077981|0.069691|0.168946|0.211674|0.169979|0.141509|0.302235|0.302254|0.500000| |1.323584|1.465914|1.585281|1.794363|14.112494|3.579074|3.316012|4.104903|2.633561|2.635420|2.940098|3.353348|3.342581|2.920803|3.512221|4.184479|4.694745|3.323645|2.722109|2.382866|2.428404|2.860723|3.920634|0.070827|2.029031|7.754334|8.929816|6.259999|7.937907|17.559775|9.005689|7.065219|7.238134|5.497269|0.035735|0.036616|0.035044|0.040381|0.041658|0.043998|0.042499|0.049393|0.051834|0.066003|0.078043|0.098244|0.077196|0.104937|0.071510|0.060564|0.053966|0.055775|0.052436|0.154167|0.135140|0.183205|0.147271|0.208557|0.235885|0.152661|0.500000| |1.418999|1.582465|1.736397|1.989675|16.077228|4.029398|3.816916|4.775083|3.204366|3.308121|3.910398|4.637580|4.347292|3.569316|4.376180|5.151124|5.260199|3.508511|2.813452|2.499234|2.621064|3.199453|4.567259|0.081835|2.094134|10.265477|8.924840|5.500706|6.745845|17.507337|8.868254|5.484279|7.482991|6.632836|0.038513|0.039104|0.037306|0.043711|0.044576|0.047938|0.046865|0.055014|0.056814|0.080779|0.103623|0.140949|0.090023|0.108206|0.072108|0.065398|0.055814|0.056368|0.054522|0.239400|0.123546|0.138747|0.140676|0.202890|0.161113|0.140307|0.307432|0.500000| |1.367185|1.521448|1.619435|1.837813|13.978464|3.557169|3.202650|4.074237|2.497567|2.409381|2.522739|2.758061|2.891213|2.732321|2.978677|3.308437|3.918407|2.755888|2.371894|2.151460|2.206316|2.525925|3.489119|0.064706|1.874656|5.252844|5.272139|5.461593|4.474368|6.926856|8.719500|17.536890|6.824575|5.497966|0.036483|0.037859|0.036457|0.041843|0.043944|0.044993|0.042742|0.050441|0.054317|0.061412|0.065882|0.076122|0.075230|0.082468|0.062533|0.056217|0.049115|0.052484|0.049106|0.099660|0.118429|0.187473|0.146370|0.110720|0.139723|0.103100|0.218089|0.143783|0.500000| |1.521689|1.719028|1.823217|2.108584|15.790421|3.972386|3.547030|4.727737|2.842169|2.692904|2.718659|2.889350|3.076757|3.051083|3.025906|3.165039|3.705812|2.513661|2.193736|2.054186|2.160822|2.481424|3.548555|0.067100|1.796995|4.733842|4.264348|4.490147|3.457943|5.446117|8.808142|17.555241|7.248076|6.834240|0.040309|0.041935|0.040596|0.047421|0.050114|0.050317|0.047588|0.058097|0.063360|0.068969|0.069937|0.076719|0.084639|0.072589|0.057046|0.056044|0.046751|0.050017|0.047824|0.090962|0.100326|0.137609|0.135537|0.088239|0.100339|0.083185|0.146101|0.124256|0.302479|0.500000| |1.520946|1.705796|1.833820|2.100866|16.126454|4.193396|3.604447|4.734173|2.898092|2.675637|2.744292|3.064254|3.410903|3.294833|3.590612|3.931869|4.631803|3.144032|2.689000|2.475976|2.591590|3.016274|4.205706|0.077393|2.122799|5.872231|5.708620|7.108329|4.302577|6.408514|8.656459|17.606787|5.521122|6.965310|0.040313|0.042376|0.040305|0.046423|0.049634|0.051433|0.047878|0.056738|0.063031|0.066948|0.069414|0.082160|0.093773|0.091023|0.069239|0.065897|0.054561|0.059480|0.055827|0.105773|0.145464|0.232727|0.226857|0.102683|0.124503|0.103870|0.163822|0.133483|0.301422|0.303942|0.500000| |1.474288|1.664699|1.800468|2.098474|16.412925|3.955615|3.882939|5.046062|3.280843|3.501480|3.906162|4.022644|3.692652|3.354681|3.347135|3.477534|3.794653|2.526052|2.148760|1.992604|2.114746|2.494671|3.676993|0.069244|1.724018|5.634851|4.550541|3.714808|3.800213|7.034889|8.710502|5.523377|17.541395|6.945112|0.039902|0.040116|0.039016|0.046711|0.047056|0.048776|0.048394|0.059474|0.060219|0.089258|0.106443|0.111510|0.084102|0.074359|0.055620|0.054599|0.045883|0.046669|0.045825|0.124293|0.086334|0.100758|0.103972|0.109991|0.101840|0.087860|0.175103|0.227224|0.139596|0.145064|0.122331|0.500000| |1.514856|1.720669|1.832779|2.145521|16.223412|3.917836|3.745901|5.001544|3.091006|3.140137|3.247273|3.287931|3.231389|3.136154|2.968405|3.031377|3.430966|2.299687|1.995979|1.874023|1.987451|2.303931|3.380574|0.064525|1.640584|4.658695|3.900193|3.548097|3.254948|5.548354|8.756835|7.039558|17.557117|7.018343|0.040587|0.041186|0.040355|0.048319|0.049337|0.049602|0.048569|0.060804|0.062911|0.081683|0.086204|0.087651|0.081810|0.066764|0.051873|0.051827|0.043311|0.044901|0.043855|0.096469|0.082070|0.100590|0.102849|0.089425|0.090944|0.077152|0.146012|0.148004|0.168314|0.220829|0.144154|0.301906|0.500000| |1.353440|1.512956|1.613664|1.848303|14.142281|3.473501|3.321520|4.210702|2.637147|2.703863|2.919140|3.069211|2.970355|2.751512|2.862606|3.082442|3.514038|2.424994|2.082874|1.907828|1.981581|2.288830|3.260788|0.061224|1.667701|5.033224|4.503623|3.849301|3.981485|7.066731|8.713464|6.973449|17.543914|5.523518|0.036469|0.037022|0.036076|0.042260|0.043123|0.044066|0.043146|0.051926|0.053586|0.069868|0.079105|0.086030|0.071959|0.072558|0.054791|0.050974|0.044390|0.045787|0.044039|0.105305|0.088529|0.112411|0.103966|0.111905|0.115279|0.090362|0.220046|0.186324|0.203446|0.179623|0.140226|0.301476|0.302046|0.500000| |1.790087|2.052176|2.291985|2.734355|22.408585|5.826202|4.899145|7.063429|4.715508|4.125270|4.238020|5.022888|6.204577|5.913188|6.036738|5.885983|5.988694|3.595291|2.972608|2.825522|3.164057|3.995968|6.216001|0.112387|2.336467|7.985577|6.117823|6.289624|4.103326|6.601166|8.715218|6.790253|5.512066|17.574750|0.047643|0.049681|0.046584|0.055710|0.059027|0.064059|0.059872|0.073293|0.081546|0.096433|0.099668|0.124632|0.161746|0.099261|0.073103|0.080640|0.059692|0.063182|0.062345|0.144634|0.136453|0.149128|0.234963|0.103390|0.104728|0.101299|0.138151|0.158989|0.139944|0.164257|0.203670|0.141130|0.141995|0.122408|0.500000| |1.820986|2.115886|2.314260|2.814762|21.928082|5.384564|4.800314|7.211927|4.543665|4.169428|4.067747|4.262363|4.665336|4.851892|4.109280|3.926023|4.292138|2.718101|2.338242|2.246603|2.471570|2.956737|4.550598|0.086919|1.927243|5.554490|4.364636|4.284634|3.297024|5.417105|8.818002|7.035731|7.001152|17.546687|0.048294|0.049814|0.047812|0.058494|0.061243|0.063164|0.060157|0.077834|0.084814|0.102354|0.098857|0.105047|0.128700|0.076037|0.059060|0.064710|0.049896|0.052400|0.051969|0.109428|0.097620|0.113216|0.140242|0.086722|0.087895|0.080810|0.124111|0.138472|0.141657|0.207838|0.177745|0.171342|0.211820|0.142309|0.302939|0.500000| |1.761461|2.027715|2.267121|2.737237|22.656324|5.535675|5.152161|7.472566|5.340900|5.271809|5.794807|6.541651|6.650273|5.930192|5.384754|5.084493|5.073183|3.107502|2.589135|2.457189|2.730923|3.399863|5.387695|0.100182|2.064300|7.468004|5.305635|4.561421|3.841191|6.726467|8.773751|5.502998|7.021070|17.587654|0.047412|0.048200|0.045864|0.056093|0.057406|0.061904|0.060265|0.075869|0.079302|0.120824|0.135849|0.158230|0.140300|0.087538|0.064598|0.070435|0.053880|0.055187|0.055313|0.156405|0.104502|0.112727|0.142644|0.104420|0.096919|0.092822|0.139482|0.195888|0.122575|0.141149|0.140447|0.209829|0.174546|0.141922|0.301553|0.302520|0.500000| 1789.913189 -11610.387315 4527.826803 -218.413021 -5511.060344 3719.165239 -1791.895105 2.001107 406200000000000C 449FE41A15735FC3 4420020F19D38365 41325D5000000000 B7A16C2614EA0800 42572378BE3B7FFE