Version2.1 2021-01-13T01:09:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc(cc1)[C@H](CNC(=O)CCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N)[NH+](C)C C32733794 RHF 6-31G(d) (6D,7F) CCc1ccc(cc1)[C@H](CNC(=O)CCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N)[NH+](C)C C01[X(C21H30N5O5S1)] 180 C1 544 CCc1ccc(cc1)[C@@H]([NH+](C)C)CNC(=O)CCNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N CCc1ccc(cc1)[C@@H]([NH+](C)C)CNC(=O)CCNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N CCc1ccc(cc1)[C@H](CNC(=O)CCNc2ccc(cc2[N+]([O-])=O)[S](N)(=O)=O)[NH+](C)C InChIKey=BCSYHHWLCJESTI-FQEVSTJZSA-O InChI=1S/C21H29N5O5S/c1-4-15-5-7-16(8-6-15)20(25(2)3)14-24-21(27)11-12-23-18-10-9-17(32(22,30)31)13-19(18)26(28)29/h5-10,13,20,23H,4,11-12,14H2,1-3H3,(H,24,27)(H2,22,30,31)/p+1/t20-/m0/s1 InChI=1/C21H29N5O5S/c1-4-15-5-7-16(8-6-15)20(25(2)3)14-24-21(27)11-12-23-18-10-9-17(32(22,30)31)13-19(18)26(28)29/h5-10,13,20,23H,4,11-12,14H2,1-3H3,(H,24,27)(H2,22,30,31)/p+1/t20-/m0/s1/fC21H30N5O5S/h24-25H,22H2/q+1 CCc1ccc(cc1)[C@H](CNC(=O)CCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N)[NH+](C)C C01[X(C21H30N5O5S1)] 180 C01 544 CCc1ccc(cc1)[C@@H]([NH+](C)C)CNC(=O)CCNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N CC[C]1[CH][CH][C]([CH][CH]1)[C@@H]([NH](C)C)CNC(=O)CCN[C]1[CH][CH][C]([CH][C]1[N]([O])[O])S(=O)(=O)N CC[C]1[CH][CH][C]([CH][CH]1)[C@H](CNC(=O)CCN[C]2[CH][CH][C]([CH][C]2N([O])[O])[S](N)(=O)=O)[NH](C)C InChIKey=NNDOWMDTZBTOEZ-FQEVSTJZSA-N InChI=1S/C21H30N5O5S/c1-4-15-5-7-16(8-6-15)20(25(2)3)14-24-21(27)11-12-23-18-10-9-17(32(22,30)31)13-19(18)26(28)29/h5-10,13,20,23,25H,4,11-12,14H2,1-3H3,(H,24,27)(H2,22,30,31)/t20-/m0/s1 InChI=1/C21H30N5O5S/c1-4-15-5-7-16(8-6-15)20(25(2)3)14-24-21(27)11-12-23-18-10-9-17(32(22,30)31)13-19(18)26(28)29/h5-10,13,20,23,25H,4,11-12,14H2,1-3H3,(H,24,27)(H2,22,30,31)/t20-/m0/s1/f/h24H,22H2 3285.6890660323 -1856.3898517 1-A 29433.7129 123 421 544 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.26265 -20.66376 -20.65963 -20.65448 -20.60515 -20.60419 -15.92027 -15.85713 -15.71746 -15.66831 -15.65137 -11.47552 -11.44843 -11.44051 -11.43667 -11.41958 -11.40329 -11.37818 -11.37073 -11.36536 -11.36529 -11.36076 -11.36010 -11.35438 -11.35364 -11.35117 -11.34306 -11.34214 -11.32594 -11.32568 -11.31549 -11.30431 -9.23431 -6.92074 -6.92040 -6.91924 -1.69587 -1.53098 -1.52391 -1.49171 -1.47704 -1.40630 -1.37148 -1.36032 -1.29387 -1.27455 -1.25482 -1.21958 -1.17819 -1.16732 -1.15947 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CCc1ccc(cc1)[C@H](CNC(=O)CCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N)[NH+](C)C C32733794 RHF 6-31G(d) (6D,10F) C1 464.196766 |X|Y|Z| 61.861665 35.690587 155.988501 70.095364 19 6 7 17 2 |36.858105| |12.415717|36.858105| |7.516405|12.588253|36.858105| |5.652254|7.532625|13.706606|36.858105| |4.155569|5.002959|7.880920|13.752387|36.858105| |3.737228|4.403550|6.772210|7.904340|13.724296|36.858105| |4.167073|5.005787|7.881774|6.906200|7.974130|13.677728|36.858105| |5.667631|7.530404|13.674219|7.989604|6.904307|7.899716|13.781855|36.858105| |2.904959|3.262525|4.403523|5.021092|7.577140|12.588826|7.511197|5.004383|36.858105| |2.723508|3.029096|3.966406|4.791646|7.348903|8.887621|5.572475|4.182408|17.653022|0.500000| |2.711839|2.893282|3.717811|3.996376|5.281179|7.481740|6.085053|4.311082|12.349001|0.248351|36.858105| |2.832616|2.906300|3.668509|4.049327|5.211424|6.316351|5.145870|4.015235|7.809645|0.202052|13.243270|53.358707| |2.521742|2.571200|3.139198|3.580127|4.536861|4.905848|3.940806|3.263340|6.087155|0.188120|7.857178|19.074066|36.858105| |2.274684|2.364752|2.865176|3.293054|4.215619|4.531163|3.586994|2.966012|6.077596|0.208414|7.041979|11.634546|15.839701|73.516695| |2.486987|2.446327|2.877659|3.253412|3.834778|3.868582|3.288832|2.898032|4.252742|0.127793|5.041603|10.662441|12.590489|14.120362|36.858105| |2.154468|2.130364|2.443986|2.777512|3.209489|3.143930|2.688754|2.418394|3.473806|0.108040|3.851485|6.900261|7.554071|12.151583|12.496908|36.858105| |2.081047|2.012397|2.246721|2.513316|2.780641|2.681441|2.368855|2.196032|2.834201|0.085539|3.096188|5.359884|5.056698|8.046001|7.911504|13.188678|53.358707| |1.858622|1.801492|1.977683|2.200642|2.396591|2.295783|2.048754|1.921658|2.416445|0.072985|2.577890|4.234669|3.831488|6.485872|5.132172|7.694760|19.237967|36.858105| |1.709458|1.684252|1.852956|2.070313|2.276584|2.186609|1.937259|1.805055|2.344260|0.071849|2.462706|3.914086|3.569768|6.434846|4.360823|6.611065|10.836685|13.460356|36.858105| |1.547469|1.524603|1.655063|1.833472|1.986213|1.904843|1.708579|1.608232|2.023237|0.061464|2.099788|3.247491|2.848985|5.174269|3.324284|4.485807|7.108374|7.840025|13.949199|36.858105| |1.498532|1.460621|1.565145|1.717288|1.828288|1.748776|1.590209|1.515279|1.825906|0.054694|1.895618|2.926784|2.497062|4.428370|2.934693|3.724288|6.215412|6.744762|7.931928|13.625184|36.858105| |1.589457|1.529333|1.631680|1.782489|1.881255|1.795869|1.643467|1.575947|1.852261|0.054990|1.938304|3.038315|2.568705|4.426977|3.118900|3.867491|7.005027|7.772640|6.877889|7.967277|13.911310|36.858105| |1.770942|1.694315|1.824542|2.002400|2.127352|2.030933|1.848252|1.763889|2.093806|0.062187|2.218714|3.575525|3.071378|5.156524|3.948832|5.030169|10.633739|13.459141|7.928195|6.899408|7.951197|13.675370|36.858105| |1.862890|1.748761|1.863091|2.019098|2.108032|2.013314|1.860900|1.797956|2.035865|0.059457|2.170493|3.519306|2.921115|4.758539|3.786031|4.343312|8.807632|7.594675|5.067556|4.530085|5.175165|7.910087|13.170368|53.358707| |2.069881|1.922122|2.059364|2.226766|2.323919|2.224901|2.061094|1.991134|2.231545|0.064666|2.409381|4.004825|3.295678|5.185820|4.461938|4.799658|9.857359|6.828374|4.543054|3.854652|4.075960|5.433570|8.331460|21.486621|73.516695| |1.739168|1.625726|1.708499|1.832952|1.889489|1.805719|1.688198|1.646696|1.813498|0.052607|1.919425|3.048409|2.474986|4.077591|3.072593|3.419613|6.282272|5.348174|4.081132|3.936006|4.764847|7.246718|8.407954|21.815088|16.090406|73.516695| |1.332217|1.302334|1.381160|1.503127|1.584857|1.518342|1.393827|1.337090|1.578070|0.046971|1.622734|2.450164|2.042081|3.654840|2.313188|2.788960|4.372163|4.156254|4.742288|6.947139|10.827356|7.001033|4.737438|5.064260|5.440943|6.614337|388.023441| |1.314977|1.274976|1.339196|1.448401|1.508947|1.441424|1.334475|1.291828|1.479948|0.043694|1.520504|2.296410|1.884762|3.326336|2.142761|2.508292|3.984826|3.671420|3.838642|4.943512|7.407729|6.601412|4.459518|5.151185|5.445112|7.186837|94.778571|73.516695| |1.305535|1.287892|1.367658|1.496712|1.582248|1.508967|1.377749|1.320113|1.572726|0.047141|1.596599|2.384820|1.989665|3.618379|2.205714|2.656586|3.997033|3.671663|4.397442|6.340849|7.364664|5.057088|3.877689|4.229576|4.733564|5.409475|94.716274|13.558793|73.516695| |1.238953|1.213800|1.289455|1.391486|1.472868|1.430669|1.321304|1.261433|1.500301|0.044389|1.558847|2.334347|1.936227|3.483403|2.165902|2.581385|3.953730|3.621664|4.137383|5.647250|7.075220|5.264620|3.964976|4.401321|4.864244|5.747575|82.174354|13.485325|13.812343|53.358707| |2.544949|2.911577|3.757470|4.057361|5.396419|7.635361|6.110892|4.340757|12.409424|0.254429|7.472384|6.828764|4.293296|8.121661|3.239639|2.810836|3.204563|2.069788|2.046595|1.804519|1.633914|1.640291|1.818961|2.398366|3.379131|2.829038|10.223399|2.396581|2.565553|1.876644|53.358707| |2.621551|3.020672|3.893268|3.967677|4.978169|7.283497|6.928820|4.772110|9.197933|0.182472|6.757650|6.253266|3.797409|6.884624|2.967435|2.554544|2.972657|1.925103|1.887315|1.675023|1.531912|1.546740|1.712282|2.281749|3.224192|2.707567|9.633935|2.272568|2.407381|1.773469|25.729646|0.500000| |2.140660|2.376204|2.916254|3.118235|3.919301|4.945891|4.259370|3.283877|7.483767|0.190160|6.480300|6.131470|4.104989|8.252393|3.095896|2.768688|3.132374|2.043706|2.054680|1.817907|1.632782|1.622486|1.786947|2.330172|3.252043|2.751160|10.252174|2.385094|2.578003|1.903718|17.319528|0.259077|36.858105| |2.499727|2.942946|3.737245|4.157111|5.374207|6.400712|5.144699|4.054649|7.612205|0.201928|4.922165|5.270148|3.539632|6.781736|2.822343|2.542903|2.949964|1.942000|1.940731|1.733253|1.572689|1.568917|1.720297|2.259195|3.150030|2.682821|9.938833|2.332563|2.519263|1.812877|17.317050|0.260698|7.786429|36.858105| |17.556789|8.754045|6.797756|5.016558|3.956929|3.766978|4.389432|5.979467|2.952769|0.075510|2.839362|4.041349|2.587331|4.098816|2.549527|2.173835|2.856212|1.860265|1.702082|1.535709|1.487563|1.582862|1.771631|2.551334|3.731801|3.107172|9.380197|2.313723|2.286126|1.680161|3.507911|0.074688|2.177757|2.466197|0.500000| |17.573015|8.799872|5.491422|4.425915|3.411337|3.102924|3.418076|4.433395|2.501529|0.065785|2.350776|3.323672|2.211441|3.587983|2.199376|1.941632|2.581182|1.716607|1.584617|1.448627|1.412535|1.497860|1.653467|2.373845|3.414764|2.925804|9.009858|2.235458|2.208443|1.604465|3.052590|0.064169|1.919128|2.225865|0.301540|0.500000| |17.559145|8.756032|6.799446|5.953459|4.371421|3.766978|3.969264|5.030907|2.955084|0.078466|2.768928|4.058625|2.697137|4.284496|2.717617|2.351727|3.118368|2.036523|1.855249|1.671587|1.621545|1.730948|1.942652|2.797238|4.088514|3.394964|10.178292|2.515609|2.488491|1.797912|3.442452|0.071039|2.139631|2.480908|0.301477|0.301536|0.500000| |8.844309|17.562162|8.930756|7.147089|4.729244|3.967325|4.217814|5.671802|3.029568|0.080253|2.648170|3.629551|2.422811|4.020903|2.318855|2.060993|2.660146|1.768287|1.664229|1.515464|1.453164|1.515602|1.667688|2.330342|3.314872|2.839181|9.258706|2.268081|2.301508|1.643636|3.729045|0.077620|2.257363|2.856658|0.172848|0.213357|0.210571|0.500000| |8.843148|17.558917|8.928190|5.679838|4.220194|3.967353|4.727741|7.135451|3.027086|0.077124|2.708959|3.617108|2.342834|3.867381|2.212514|1.938968|2.492950|1.650043|1.551816|1.412775|1.355100|1.413939|1.556496|2.183375|3.117422|2.665557|8.650311|2.117894|2.139813|1.552896|3.812014|0.082411|2.301902|2.834599|0.210489|0.213350|0.172855|0.304088|0.500000| |5.533588|6.982823|8.914349|17.715321|8.952558|5.641699|4.969150|5.663265|4.104309|0.114305|3.378323|4.778001|3.255671|5.389610|3.067550|2.700458|3.387469|2.209028|2.080193|1.855266|1.746736|1.814193|2.027236|2.782634|3.979942|3.313787|10.907955|2.637992|2.725313|1.915463|4.665134|0.091894|2.747335|3.607588|0.128666|0.125146|0.172235|0.213928|0.143871|0.500000| |3.547928|4.089787|5.629890|8.945259|17.699534|8.900964|5.652560|4.966962|7.026299|0.226497|4.965260|6.924292|4.847101|8.326706|4.093332|3.538630|4.095648|2.600093|2.499463|2.166198|1.970752|2.011433|2.274791|3.016848|4.306444|3.507731|12.076702|2.853492|3.036035|2.132827|6.917231|0.123417|3.888266|5.269842|0.093094|0.083525|0.106204|0.112398|0.097287|0.217240|0.500000| |3.568269|4.098938|5.637170|4.965673|5.640232|8.834423|17.664242|8.992130|6.894277|0.139211|6.337342|6.771528|3.753592|6.126002|3.109120|2.550362|3.059909|1.951155|1.851427|1.638149|1.525333|1.573369|1.763488|2.416200|3.486446|2.872044|9.541500|2.281792|2.352659|1.746358|8.515908|0.219338|4.529379|4.874237|0.107112|0.083910|0.093631|0.097301|0.112544|0.107737|0.123669|0.500000| |5.563665|6.985278|8.903817|5.664570|4.968090|5.637158|8.959473|17.714486|4.086843|0.096179|3.728922|4.723629|2.854291|4.634033|2.580133|2.176863|2.727243|1.768271|1.660641|1.490988|1.414151|1.473039|1.639657|2.288755|3.302290|2.760101|8.933849|2.166918|2.199685|1.621037|5.091408|0.116980|2.955427|3.488333|0.173822|0.125617|0.129316|0.143663|0.213323|0.124233|0.107758|0.218677|0.500000| |2.351634|2.495897|3.094293|3.319364|4.233579|5.480289|4.644276|3.506138|8.758400|0.212513|17.678552|12.697108|7.393245|13.601440|4.749390|3.831756|4.135353|2.562237|2.495997|2.131597|1.906052|1.927425|2.189573|2.874944|4.114927|3.324967|11.631234|2.703456|2.867997|2.159871|9.487640|0.169653|7.530854|4.650941|0.067992|0.057643|0.066640|0.064425|0.065633|0.080485|0.115712|0.137182|0.086828|0.500000| |2.794471|2.966758|3.787603|3.832441|4.754028|6.879869|6.722700|4.660373|8.739711|0.174110|17.606494|12.588909|5.800407|9.088825|4.264979|3.303287|3.773606|2.335442|2.212736|1.912348|1.750866|1.801951|2.052012|2.775097|4.035596|3.238238|10.755227|2.539982|2.634003|1.986365|8.976956|0.191184|5.680431|4.442866|0.083155|0.067219|0.077729|0.073939|0.078517|0.089100|0.118152|0.220963|0.115495|0.301949|0.500000| |3.108148|3.097838|3.882631|4.151670|5.034221|5.928247|5.260926|4.270207|6.216447|0.156058|9.012732|26.072309|9.290278|10.866581|7.421457|4.693328|5.293795|3.055690|2.749551|2.297578|2.107855|2.224338|2.636980|3.629926|5.511590|4.114862|12.559080|2.974893|3.030361|2.284797|5.826331|0.114109|3.783651|3.426735|0.092431|0.073645|0.091382|0.077580|0.078209|0.099637|0.130849|0.140508|0.103480|0.184943|0.229615|0.500000| |2.389974|2.315966|2.682620|2.927170|3.350637|3.479186|3.098755|2.752592|3.785153|0.108572|4.709150|9.623636|8.960298|10.980058|17.530925|8.831076|9.728426|4.799606|3.991183|3.120065|2.819937|3.045014|3.862166|5.226703|8.246550|5.568153|15.924321|3.720348|3.739468|2.902498|4.053238|0.077539|2.887920|2.566285|0.069207|0.059072|0.071855|0.060417|0.058827|0.076275|0.095850|0.083412|0.069461|0.125157|0.116713|0.203664|0.500000| |2.816794|2.726656|3.210187|3.687905|4.257217|4.096144|3.481617|3.146604|4.191097|0.124483|4.689091|9.694913|8.963297|10.949165|17.521967|8.834195|9.843112|4.856478|4.010008|3.138520|2.845327|3.083892|3.922389|5.330461|8.478000|5.656684|16.062327|3.780278|3.830432|2.830097|4.290282|0.081024|2.903243|2.802654|0.079770|0.068442|0.087537|0.071703|0.067274|0.097539|0.125743|0.088899|0.076988|0.116529|0.113299|0.208539|0.303249|0.500000| |2.173087|2.179637|2.511432|2.925965|3.424456|3.254664|2.715889|2.445934|3.598288|0.116489|3.765688|6.464160|6.962243|12.516358|8.878051|17.571315|12.382192|6.811872|6.636555|4.581232|3.703496|3.717583|4.613133|5.320024|7.412066|5.615383|19.977148|4.453549|4.896146|3.469779|3.968069|0.072462|2.848151|2.702333|0.060049|0.054405|0.066094|0.059276|0.054831|0.080065|0.109043|0.070545|0.060568|0.103584|0.088396|0.119327|0.173627|0.210837|0.500000| |1.959285|1.951457|2.231191|2.496438|2.888533|2.907994|2.515812|2.243356|3.311991|0.102386|3.753402|6.410683|6.890294|12.338256|8.883260|17.579028|12.374636|6.741404|6.588428|4.541287|3.667107|3.676689|4.561719|5.268217|7.332367|5.573804|19.783009|4.374090|4.720169|3.616870|3.756338|0.069602|2.813865|2.475277|0.055174|0.049365|0.058567|0.052390|0.049937|0.066931|0.087491|0.067530|0.056630|0.108637|0.089612|0.118185|0.212865|0.173704|0.303101|0.500000| |2.204404|2.094304|2.322063|2.569414|2.793071|2.692326|2.416470|2.265897|2.778090|0.082089|3.059965|5.371780|4.792895|7.273231|7.694586|9.016299|26.121954|9.557289|5.828135|4.310926|4.045563|4.799473|7.365323|10.137736|17.952132|9.091557|21.004378|4.950215|4.751195|3.645968|3.124455|0.059853|2.214738|2.104860|0.062156|0.055717|0.067905|0.056133|0.052777|0.070618|0.082372|0.063617|0.057662|0.081814|0.077549|0.112982|0.211649|0.217765|0.187382|0.186165|0.500000| |1.730411|1.725341|1.921093|2.161926|2.422977|2.342333|2.046994|1.882043|2.567863|0.080025|2.693631|4.258608|4.012650|7.563206|4.712052|7.549339|9.890623|8.853532|17.786746|9.050565|5.660274|4.960223|5.635242|5.581106|6.925574|6.008825|27.950227|5.731046|6.847588|4.874209|3.048223|0.056719|2.273100|2.117532|0.047857|0.044340|0.051923|0.047315|0.044200|0.059903|0.074699|0.054399|0.047836|0.076884|0.066141|0.081058|0.116032|0.115850|0.226177|0.227024|0.146785|0.500000| |1.463349|1.453980|1.578639|1.748187|1.899199|1.826643|1.637033|1.537281|1.954121|0.059583|2.010463|3.051054|2.660525|4.947492|2.986448|3.921533|5.756025|5.607372|9.013937|17.744379|8.886673|5.667709|4.967905|4.912297|5.643985|5.753393|47.130565|8.067657|12.590947|7.825808|2.405042|0.045440|1.796428|1.709682|0.040259|0.038137|0.043648|0.040270|0.037582|0.049116|0.057679|0.043713|0.039631|0.057178|0.050812|0.059417|0.077626|0.077936|0.114159|0.113306|0.098874|0.219083|0.500000| |1.530902|1.463830|1.545814|1.674656|1.746849|1.667445|1.541446|1.490709|1.703595|0.050148|1.778316|2.764336|2.289219|3.924851|2.739413|3.244410|5.680577|5.585178|4.961002|5.656221|8.970849|17.797514|8.940151|10.067764|8.964441|14.825199|47.297644|13.618190|8.315554|6.879254|2.066558|0.040021|1.497274|1.456631|0.042352|0.040344|0.046254|0.040342|0.037694|0.047482|0.051457|0.041049|0.038929|0.048937|0.046365|0.056703|0.075219|0.076260|0.086706|0.085752|0.113479|0.107756|0.124394|0.500000| |1.209499|1.179391|1.247664|1.338330|1.409455|1.372761|1.276245|1.222514|1.433140|0.042120|1.495361|2.239363|1.840133|3.280713|2.063804|2.416614|3.732088|3.358636|3.648333|4.653932|5.928983|4.985616|3.789651|4.376121|4.817679|5.879312|60.730177|13.273495|10.345601|25.890832|1.793861|0.034758|1.334572|1.269872|0.033559|0.032044|0.035779|0.032531|0.030849|0.037556|0.041392|0.034501|0.032183|0.042187|0.039128|0.045023|0.057083|0.055253|0.065495|0.068846|0.071566|0.088023|0.126108|0.141588|0.500000| |1.181220|1.162740|1.234216|1.331110|1.409239|1.370028|1.265780|1.208150|1.439481|0.042619|1.487502|2.205952|1.822306|3.307347|2.005814|2.369570|3.537760|3.153745|3.647756|4.842334|5.503420|4.211815|3.342634|3.789700|4.286657|4.932577|61.310725|10.872549|13.786008|25.882872|1.814699|0.034987|1.357501|1.294115|0.032639|0.031271|0.034866|0.032201|0.030436|0.037407|0.041671|0.034183|0.031715|0.042190|0.038697|0.043894|0.054635|0.053464|0.065712|0.068070|0.066578|0.090986|0.146684|0.112582|0.318289|0.500000| |2.066109|2.269026|2.764233|3.039007|3.864306|4.615735|3.805938|3.012346|7.089225|0.210979|6.255928|6.349043|4.565148|9.929183|3.366199|3.079907|3.405105|2.222586|2.265721|1.990329|1.763947|1.738524|1.915997|2.465174|3.423425|2.893123|11.012257|2.540342|2.781365|2.042916|12.303169|0.181483|17.644329|6.787694|0.057981|0.051549|0.058147|0.060493|0.060308|0.075731|0.111630|0.108034|0.074762|0.213359|0.141380|0.105776|0.085507|0.086038|0.089353|0.087996|0.065827|0.070780|0.054894|0.044229|0.039561|0.040488|0.500000| |1.992180|2.225078|2.675188|2.824994|3.425731|4.142084|3.720347|2.986065|5.519622|0.144548|4.777311|4.893449|3.343756|6.647786|2.642818|2.418218|2.791369|1.850634|1.873180|1.680395|1.516642|1.500686|1.635375|2.132949|2.954166|2.538615|9.632274|2.244798|2.433578|1.793240|12.313205|0.216258|17.656850|7.522977|0.056014|0.050135|0.054919|0.059229|0.060600|0.070101|0.094417|0.109877|0.075997|0.147583|0.123075|0.086954|0.068999|0.069572|0.069376|0.068371|0.054874|0.057247|0.046436|0.038655|0.034944|0.035690|0.298962|0.500000| |2.095502|2.288470|2.781627|2.902046|3.560006|4.552457|4.145578|3.195307|6.601087|0.159143|6.992877|6.376799|4.133744|8.045072|3.125052|2.751338|3.127765|2.030095|2.024510|1.788760|1.613445|1.611221|1.780136|2.335038|3.273124|2.757903|10.117080|2.358295|2.525091|1.891566|12.221253|0.229259|17.690884|5.657715|0.060050|0.052241|0.058001|0.059707|0.061930|0.070924|0.096207|0.128529|0.081450|0.247018|0.181909|0.110064|0.083130|0.080389|0.076697|0.078539|0.061829|0.061892|0.048890|0.041373|0.036982|0.037384|0.299178|0.301062|0.500000| |2.829937|3.458728|4.533797|5.103482|6.548545|7.443934|5.979105|4.829969|7.105875|0.183262|4.576454|5.119447|3.387505|6.253992|2.771869|2.475899|2.913596|1.916034|1.895085|1.695503|1.550813|1.557609|1.710688|2.265829|3.171812|2.696885|9.805598|2.316027|2.481165|1.777363|12.258649|0.222488|5.632521|17.704050|0.076536|0.069384|0.077440|0.093668|0.092100|0.119901|0.168413|0.146630|0.111829|0.114293|0.117887|0.095267|0.069926|0.078408|0.073150|0.065826|0.058309|0.056851|0.046208|0.040330|0.034655|0.035177|0.140844|0.149202|0.126261|0.500000| |2.274016|2.664782|3.258906|3.480611|4.193284|4.876641|4.330506|3.563350|5.556934|0.145922|4.098135|4.451270|3.013198|5.764113|2.462983|2.250523|2.647831|1.763430|1.770739|1.598777|1.457224|1.449387|1.575820|2.071586|2.871842|2.477520|9.298967|2.185699|2.360932|1.706073|12.311407|0.226516|7.192425|17.651679|0.062528|0.057060|0.062042|0.072096|0.072860|0.085691|0.113415|0.119372|0.088563|0.111391|0.107104|0.081825|0.063253|0.067576|0.065874|0.061539|0.052538|0.053445|0.044033|0.037545|0.033256|0.033955|0.166170|0.231924|0.149557|0.299359|0.500000| 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