Version2.1 2021-01-08T05:45:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 24-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)c2csc3c2c(=O)[nH]c(n3)C[NH+](CCOC)C[C@H](COC(C)C)O)C C36206498 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)c2csc3c2c(=O)[nH]c(n3)C[NH+](CCOC)C[C@H](COC(C)C)O)C C01[X(C24H34N3O4S1)] 192 C1 552 COCC[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1cc(C)ccc1C)C[C@H](COC(C)C)O COCC[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1cc(C)ccc1C)C[C@H](COC(C)C)O COCC[NH+](C[C@@H](O)COC(C)C)CC1=Nc2scc(c3cc(C)ccc3C)c2C(=O)N1 InChIKey=BGWYTOJJVYSWQP-GOSISDBHSA-O InChI=1S/C24H33N3O4S/c1-15(2)31-13-18(28)11-27(8-9-30-5)12-21-25-23(29)22-20(14-32-24(22)26-21)19-10-16(3)6-7-17(19)4/h6-7,10,14-15,18,28H,8-9,11-13H2,1-5H3,(H,25,26,29)/p+1/t18-/m1/s1 InChI=1/C24H33N3O4S/c1-15(2)31-13-18(28)11-27(8-9-30-5)12-21-25-23(29)22-20(14-32-24(22)26-21)19-10-16(3)6-7-17(19)4/h6-7,10,14-15,18,28H,8-9,11-13H2,1-5H3,(H,25,26,29)/p+1/t18-/m1/s1/fC24H34N3O4S/h25,27H/q+1 Cc1ccc(c(c1)c2csc3c2c(=O)[nH]c(n3)C[NH+](CCOC)C[C@H](COC(C)C)O)C C01[X(C24H34N3O4S1)] 192 C01 552 COCC[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1cc(C)ccc1C)C[C@H](COC(C)C)O COCC[NH](CC1=N[C]2[C]([C](=CS2)[C]2[CH][C]([CH][CH][C]2C)C)C(=O)N1)C[C@H](COC(C)C)O COCC[NH](C[C@@H](O)COC(C)C)CC1=N[C]2SC=C([C]3[CH][C](C)[CH][CH][C]3C)[C]2C(=O)N1 InChIKey=YZYHEUHFFNKUHN-GOSISDBHSA-N InChI=1S/C24H34N3O4S/c1-15(2)31-13-18(28)11-27(8-9-30-5)12-21-25-23(29)22-20(14-32-24(22)26-21)19-10-16(3)6-7-17(19)4/h6-7,10,14-15,18,27-28H,8-9,11-13H2,1-5H3,(H,25,26,29)/t18-/m1/s1 InChI=1/C24H34N3O4S/c1-15(2)31-13-18(28)11-27(8-9-30-5)12-21-25-23(29)22-20(14-32-24(22)26-21)19-10-16(3)6-7-17(19)4/h6-7,10,14-15,18,27-28H,8-9,11-13H2,1-5H3,(H,25,26,29)/t18-/m1/s1/f/h25H 3440.3212609602 -1788.7482726 1-A 23154.0236 123 429 552 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0.604401 0.636571 0.637515 0.534287 -1788.143872 -1788.111702 -1788.110758 -1788.213986 3.462284D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE Cc1ccc(c(c1)c2csc3c2c(=O)[nH]c(n3)C[NH+](CCOC)C[C@H](COC(C)C)O)C C36206498 RHF 6-31G(d) (6D,10F) C1 460.227004 |X|Y|Z| 133.949450 59.954782 40.210161 68.606752 15 6 7 16 12 2 1 |36.858105| |12.608179|36.858105| |7.542956|13.733818|36.858105| |5.012445|7.903800|13.768211|36.858105| |4.392552|6.740744|7.868334|13.725014|36.858105| |4.993807|7.845015|6.890034|7.996635|13.645132|36.858105| |7.540409|13.728366|8.028118|6.952854|7.887935|13.707667|36.858105| |3.814147|5.052305|4.474019|5.047582|7.541238|12.744846|7.703799|36.858105| |3.424016|4.245208|3.744434|4.066151|5.447627|7.632447|5.977319|14.154433|36.858105| |2.678847|3.120060|2.826287|3.042641|3.832597|4.723806|4.013459|7.347626|10.979706|388.023441| |2.692796|3.184477|2.923277|3.206981|4.132447|5.039686|4.106145|8.119955|7.775775|78.873728|36.858105| |3.167134|3.937493|3.608292|4.055876|5.583506|7.240052|5.331766|13.145562|8.297599|52.773898|13.956964|36.858105| |3.005801|3.676973|3.483726|3.926931|5.106353|5.846685|4.616515|7.264935|5.134520|34.333587|7.867319|13.073348|36.858105| |3.222373|4.002357|3.907960|4.449248|5.587618|5.935832|4.799147|6.091049|4.327272|27.306718|5.354632|7.956621|16.020555|73.516695| |2.494163|2.908022|2.772794|3.055720|3.737177|4.115048|3.486960|5.041066|4.120560|31.227622|7.263819|8.031602|13.505939|15.093255|53.358707| |2.360901|2.714188|2.625092|2.875041|3.396637|3.613326|3.146984|4.131617|3.429114|25.381585|5.259551|5.827165|9.360926|14.105600|25.943991|0.500000| |2.259241|2.584075|2.442206|2.659901|3.221799|3.589235|3.097549|4.590975|4.115114|35.265659|8.524291|6.998788|7.797949|9.692155|19.206811|0.257405|36.858105| |2.307611|2.645363|2.467881|2.680759|3.294318|3.779235|3.239237|5.187458|5.010731|50.054712|13.851145|7.801388|6.645514|8.366071|11.196723|0.164901|15.023211|53.358707| |1.941130|2.163879|2.064754|2.220012|2.588335|2.801732|2.504382|3.365690|3.130608|26.533761|5.224859|4.501551|5.038891|7.248737|10.650778|0.204090|12.601585|10.803263|36.858105| |1.773641|1.956649|1.864184|1.993344|2.306630|2.496563|2.253238|3.011779|2.952076|26.358822|4.700982|3.810533|3.880426|5.712499|7.004311|0.131200|7.718160|9.680745|12.805244|53.358707| |1.854141|2.043457|1.923622|2.045179|2.381659|2.630101|2.382739|3.248256|3.266181|30.747198|5.387344|4.101652|3.954083|5.716893|6.833021|0.122323|7.739215|11.660323|9.390538|25.483070|0.500000| |1.679452|1.866822|1.807294|1.960527|2.273559|2.402170|2.133341|2.881032|2.860056|25.462209|4.331502|3.548701|3.542196|5.300168|6.050151|0.113807|6.082609|8.195366|7.732165|17.249335|0.260103|36.858105| |1.556695|1.712308|1.653497|1.778451|2.039952|2.158731|1.943836|2.568430|2.644954|23.923527|3.686421|3.011636|2.888623|4.411663|4.613656|0.086917|4.358606|6.412968|4.993581|10.340693|0.202475|12.502845|36.858105| |1.634547|1.790516|1.704886|1.816801|2.091598|2.262120|2.054385|2.740669|2.904933|27.683906|4.066463|3.186232|2.940817|4.436451|4.596844|0.084536|4.418709|7.066676|4.743333|9.705277|0.236768|8.142295|13.746463|73.516695| |1.527183|1.657203|1.578660|1.670910|1.900818|2.047515|1.882877|2.437742|2.640490|24.639032|3.358416|2.716084|2.480452|3.824993|3.729872|0.069433|3.382203|5.351522|3.518032|6.395146|0.148922|5.217549|8.072247|24.058961|36.858105| |1.602201|1.735424|1.653086|1.743568|1.972694|2.122210|1.962781|2.477642|2.441821|21.041894|3.512393|2.996425|3.084709|4.751612|5.300088|0.104948|5.054367|6.388284|7.631007|17.298015|0.259220|7.634006|6.301915|10.516586|4.339378|36.858105| |1.645720|1.759199|1.654562|1.718356|1.927144|2.103280|1.987291|2.432611|2.388778|20.225125|3.347334|2.912708|3.012000|4.691282|5.078626|0.101444|4.625174|5.845773|6.338189|10.345328|0.199770|4.947949|4.369328|8.092122|3.638366|12.464967|36.858105| |1.677628|1.791132|1.687695|1.749611|1.952535|2.122775|2.012690|2.421627|2.327639|19.128622|3.239499|2.917545|3.128864|4.945211|5.366956|0.111287|4.660781|5.546501|6.524073|8.794438|0.162221|4.400771|3.727591|6.680851|3.065334|8.795697|17.538860|0.500000| |1.481267|1.562436|1.472382|1.517034|1.677033|1.817330|1.740334|2.062230|2.050504|17.072246|2.688168|2.383262|2.433928|3.886956|3.914816|0.078902|3.383825|4.430010|4.233217|6.784884|0.135370|3.833193|3.705051|6.879257|3.348531|7.542037|12.511387|0.250011|36.858105| |1.507429|1.571534|1.468840|1.496166|1.641287|1.791785|1.743766|2.012554|1.996997|16.329220|2.545639|2.296526|2.345698|3.788326|3.691787|0.074616|3.091040|4.061655|3.656871|5.425201|0.112206|3.130754|3.009820|5.709664|2.863766|5.165203|8.245995|0.208581|13.726441|73.516695| |1.377355|1.422342|1.333550|1.351378|1.466731|1.589913|1.559780|1.759930|1.754860|14.122442|2.149376|1.966549|2.000022|3.281050|3.073155|0.062421|2.510850|3.332313|2.882691|4.239225|0.087390|2.593936|2.558782|4.811340|2.510324|3.875733|5.200854|0.137092|7.918475|23.775299|36.858105| |1.396325|1.426722|1.331911|1.337334|1.439529|1.563764|1.553856|1.709024|1.692188|13.336008|2.028320|1.891956|1.936830|3.219133|2.931497|0.059955|2.331908|3.075741|2.604226|3.664858|0.075814|2.262014|2.195701|4.122190|2.157773|3.168983|4.146120|0.117036|5.232054|14.378921|12.544165|36.858105| |1.326238|1.366268|1.279396|1.295041|1.405161|1.525073|1.498505|1.692683|1.715552|13.923569|2.059354|1.865801|1.858575|3.039211|2.810421|0.056273|2.311411|3.156493|2.587060|3.911791|0.082604|2.463497|2.525453|4.860656|2.631924|3.478333|4.326218|0.108021|6.171446|13.913498|12.505300|7.534661|36.858105| |1.801839|1.926982|1.785190|1.844087|2.087235|2.331050|2.212874|2.757146|2.748480|24.010024|3.951709|3.317272|3.303839|5.025589|5.457810|0.104047|5.137392|6.972110|6.175758|9.904186|0.237562|4.732463|4.287955|8.749720|3.926069|8.153700|13.649165|0.258909|7.923380|12.525163|4.677279|3.945300|4.183430|73.516695| |3.257644|4.392402|5.015081|7.581619|12.605413|7.480971|4.991470|6.371350|4.950755|27.144034|4.220453|5.465229|5.132773|9.611831|5.317940|0.098680|3.392648|4.690928|2.729928|3.317467|0.068991|2.477260|2.202525|3.937749|1.999776|2.055696|1.959807|0.054937|1.697934|2.909010|1.459239|1.416439|1.398099|3.722081|36.858105| |17.567998|8.838090|6.984510|4.671453|3.933164|4.204960|5.691894|3.290346|3.034378|17.154445|2.390756|2.758171|2.621490|4.976094|3.014135|0.058569|2.025726|2.820154|1.762157|2.211719|0.047030|1.553249|1.450358|2.697884|1.428914|1.476120|1.508701|0.042604|1.368738|2.470952|1.278686|1.295007|1.236425|2.915976|3.011787|0.500000| |17.573234|8.831917|5.603711|4.185331|3.935109|4.711287|7.152647|3.828186|3.566801|19.949223|2.755055|3.170260|2.935239|5.428151|3.357703|0.064295|2.274191|3.205075|1.954771|2.452869|0.052807|1.695526|1.582394|2.984577|1.575198|1.632037|1.688172|0.047558|1.523608|2.771250|1.424946|1.447260|1.378671|3.320709|3.008232|0.301807|0.500000| |17.534680|8.846006|6.383711|4.489235|3.949240|4.388343|6.133777|3.463928|3.061674|17.641244|2.562066|3.012367|2.966594|5.770754|3.385392|0.066378|2.229004|3.045549|1.933930|2.384635|0.050562|1.647119|1.518388|2.820719|1.476436|1.593749|1.648545|0.047076|1.485338|2.701504|1.390199|1.419371|1.329635|3.190206|3.020709|0.302254|0.302029|0.500000| |6.982418|8.915463|17.700651|8.949630|5.626590|4.959746|5.677888|3.571391|3.103573|17.354507|2.510669|3.006094|2.955955|5.884647|3.310240|0.064910|2.161241|2.954430|1.864482|2.305018|0.048310|1.646052|1.514801|2.765570|1.449524|1.518972|1.522992|0.043223|1.367548|2.431480|1.250746|1.253808|1.200867|2.899260|4.104595|0.206202|0.141570|0.173499|0.500000| |4.096135|5.642805|8.960598|17.709096|8.942673|5.669780|4.992833|4.097003|3.435163|19.163023|2.841232|3.480979|3.457679|6.972118|3.793238|0.074030|2.440632|3.318168|2.075746|2.548112|0.052885|1.862502|1.693573|3.044242|1.580730|1.647382|1.612777|0.045651|1.431755|2.501035|1.276687|1.261563|1.223677|3.042459|7.069356|0.110961|0.096480|0.105165|0.217416|0.500000| |7.001132|8.935155|5.683484|4.992230|5.633770|8.951697|17.702206|7.226395|6.170169|30.334380|4.250251|5.259119|4.430166|7.812445|4.711024|0.086082|3.153757|4.563707|2.554926|3.154385|0.068982|2.159385|1.980542|3.776760|1.951199|2.028619|2.083287|0.058387|1.826063|3.282132|1.648041|1.648144|1.587562|4.193174|4.077004|0.145231|0.217424|0.162769|0.124476|0.108180|0.500000| |3.536616|4.317718|3.788407|4.011008|5.087214|6.753344|5.835533|8.816125|17.790946|55.348465|5.455348|5.714901|4.046780|6.404366|4.562952|0.080155|3.346475|5.381088|2.669484|3.486321|0.078165|2.507266|2.373626|4.630377|2.434497|2.172316|2.134229|0.057680|1.868717|3.254312|1.629993|1.578661|1.606988|4.327269|4.502843|0.088719|0.103794|0.085509|0.087977|0.094484|0.167353|0.500000| |1.846016|2.062617|2.002096|2.173077|2.513016|2.643747|2.349253|3.087617|2.840471|23.211161|4.412879|4.025368|4.680497|7.054658|9.617510|0.206699|8.828342|8.177612|17.603655|12.344178|0.182888|7.449548|4.704600|7.402833|3.186799|6.506659|5.193577|0.153431|3.756355|5.757853|2.633941|2.392457|2.360770|8.402083|2.706403|0.046864|0.051122|0.051250|0.050533|0.057185|0.065476|0.068144|0.500000| |1.940547|2.132685|2.016872|2.133491|2.448245|2.672854|2.450558|3.140051|2.908017|24.002965|4.558233|4.092284|4.667072|6.965548|9.415887|0.194492|9.008093|8.565586|17.672747|12.336053|0.210721|5.651400|4.142685|7.254765|3.163204|7.460705|7.600957|0.249735|4.773648|7.535833|3.235069|2.952779|2.807237|12.708483|2.516931|0.048764|0.054473|0.054242|0.050839|0.055259|0.070213|0.069653|0.301668|0.500000| |1.799952|2.030519|1.973793|2.171071|2.564930|2.702000|2.344901|3.310958|3.273324|29.519920|5.207064|4.168519|4.078750|5.953934|6.905919|0.124706|7.055733|9.949652|7.437937|12.487105|0.224869|17.686012|8.901153|12.496140|4.801167|5.621192|4.159978|0.106454|3.269249|4.955721|2.337112|2.084449|2.229473|7.487362|2.852753|0.046147|0.050296|0.048741|0.049537|0.057157|0.065359|0.078400|0.200127|0.146775|0.500000| |1.589312|1.761420|1.722002|1.870927|2.144556|2.227355|1.985747|2.601772|2.539924|21.609156|3.656117|3.162170|3.276518|5.049186|5.601166|0.110623|5.193820|6.502040|6.937137|12.310467|0.181377|17.610556|8.784034|10.340013|4.239972|7.021397|4.578160|0.118113|3.658788|5.295742|2.504220|2.190161|2.347559|7.296859|2.351848|0.040993|0.044285|0.043541|0.043856|0.049842|0.055380|0.062531|0.219075|0.147272|0.299852|0.500000| |1.522951|1.682417|1.638853|1.775858|2.037004|2.127356|1.901228|2.515395|2.607691|23.269147|3.484841|2.893402|2.750196|4.241997|4.270887|0.080551|3.879932|5.748261|4.194915|7.615049|0.150886|8.973943|17.531207|16.472008|7.268982|4.691575|3.509232|0.086223|3.062328|4.566960|2.235731|1.951588|2.220940|6.186957|2.232842|0.039626|0.042846|0.041083|0.041767|0.047276|0.053337|0.065599|0.114013|0.097352|0.225250|0.204977|0.500000| |1.444256|1.573526|1.521594|1.625159|1.839331|1.937223|1.766893|2.259348|2.311864|20.278856|3.098833|2.612533|2.552487|3.975961|4.062238|0.078466|3.705365|5.240272|4.408759|8.805185|0.165272|8.753283|17.521329|16.542086|7.075852|6.533413|4.442077|0.104200|3.974176|5.566239|2.694934|2.268426|2.670923|7.311549|1.970418|0.037503|0.040774|0.039319|0.038991|0.043178|0.050063|0.058338|0.118267|0.106604|0.174060|0.217699|0.302331|0.500000| |1.507858|1.644187|1.577877|1.681088|1.914229|2.040906|1.862396|2.421298|2.644760|24.437411|3.248804|2.656455|2.406997|3.732752|3.557014|0.066195|3.159194|5.001624|3.200393|5.543853|0.124904|4.790473|7.168697|16.457036|17.565280|3.664864|3.087512|0.074526|2.839885|4.397107|2.199375|1.924211|2.290167|5.847532|2.037286|0.039378|0.043054|0.040305|0.040271|0.044382|0.053163|0.068352|0.082469|0.079158|0.129208|0.110944|0.215537|0.169827|0.500000| |1.415556|1.524337|1.456558|1.534866|1.726914|1.846890|1.713551|2.158365|2.304465|20.693678|2.874402|2.393653|2.234211|3.495517|3.373559|0.063963|3.001382|4.556107|3.227621|5.828932|0.129340|4.687220|7.187420|16.427522|17.545455|4.292502|3.600982|0.083803|3.478068|5.200693|2.609183|2.204770|2.778500|6.621680|1.811660|0.036911|0.040494|0.038205|0.037386|0.040532|0.049257|0.059501|0.082649|0.082281|0.115091|0.111715|0.177808|0.209550|0.298939|0.500000| |1.578038|1.702962|1.606406|1.686239|1.916299|2.091951|1.943485|2.501935|2.760433|26.201620|3.424585|2.749922|2.467967|3.802075|3.651979|0.067522|3.286848|5.316462|3.322491|5.818223|0.141189|4.388443|5.857145|16.864922|17.661396|3.970261|3.551053|0.083154|3.299630|5.171579|2.557352|2.214837|2.727959|7.154958|1.985763|0.040947|0.045576|0.042254|0.040918|0.044037|0.056567|0.071160|0.082116|0.084865|0.115762|0.100252|0.147064|0.145626|0.299617|0.299390|0.500000| |1.520392|1.640600|1.563814|1.646898|1.857156|1.994150|1.849769|2.325819|2.340178|20.410312|3.250006|2.746482|2.748132|4.259608|4.533518|0.088611|4.239713|5.725622|5.631605|12.531403|0.226873|7.262639|7.459338|12.667420|5.256801|17.683645|8.884612|0.174680|7.258081|8.677747|3.832172|3.055145|3.629103|12.358832|1.937897|0.039117|0.043164|0.041798|0.040025|0.043327|0.053180|0.058480|0.138678|0.148386|0.146835|0.179708|0.146288|0.239273|0.117939|0.151365|0.129349|0.500000| |1.527546|1.654290|1.591133|1.683707|1.891206|2.004079|1.851201|2.298955|2.236976|18.722112|3.129924|2.761631|2.918101|4.589969|5.021424|0.103196|4.534383|5.497255|6.930553|12.314410|0.180920|6.939863|5.541857|8.494714|3.698170|17.607661|8.745698|0.219108|6.433266|8.133436|3.601735|2.990165|3.172604|10.358736|1.986278|0.039239|0.042923|0.042386|0.040814|0.044533|0.052635|0.055605|0.190394|0.189037|0.143791|0.210294|0.121338|0.167126|0.090180|0.103596|0.092953|0.300350|0.500000| |1.438922|1.517850|1.430706|1.475561|1.633132|1.769797|1.692344|2.017904|2.038823|17.221897|2.638968|2.306642|2.305403|3.667488|3.648310|0.072390|3.184135|4.321966|3.855222|6.527099|0.135150|3.860966|3.985286|7.634202|3.826909|6.974580|8.873859|0.175160|17.531812|16.481278|6.911700|4.583759|6.644342|12.640654|1.658239|0.037065|0.041235|0.039835|0.036917|0.038712|0.049372|0.051908|0.095236|0.114509|0.090898|0.100334|0.090693|0.121490|0.087815|0.113824|0.105160|0.221503|0.159393|0.500000| |1.395540|1.471642|1.398121|1.444000|1.587187|1.700138|1.625107|1.907272|1.883167|15.431299|2.434251|2.194365|2.271889|3.676100|3.652529|0.074990|3.087997|3.967261|3.909737|6.095811|0.115956|3.624721|3.481486|6.154850|3.030548|6.788169|8.814903|0.216754|17.496066|16.492700|7.129403|4.872307|5.417779|10.132759|1.616765|0.035967|0.039645|0.038978|0.036233|0.038096|0.046975|0.047872|0.101080|0.121066|0.085452|0.100349|0.081240|0.106528|0.072895|0.088717|0.081248|0.180420|0.186437|0.299751|0.500000| |1.304119|1.349895|1.275051|1.297040|1.404172|1.508213|1.472732|1.660766|1.648726|13.192987|2.016708|1.856452|1.904307|3.142946|2.937598|0.060271|2.385404|3.131035|2.779820|4.085130|0.082117|2.547617|2.511113|4.599870|2.400778|3.807102|4.846490|0.130760|7.450219|16.598714|17.515382|8.902789|8.868828|7.280735|1.406469|0.033745|0.037272|0.036600|0.033311|0.034212|0.042892|0.042584|0.072122|0.085960|0.063279|0.069676|0.061211|0.074688|0.058891|0.070105|0.066748|0.104804|0.102373|0.178613|0.224700|0.500000| |1.473502|1.498366|1.387531|1.385602|1.492388|1.635588|1.637436|1.790905|1.780541|14.029242|2.117648|1.972968|2.001199|3.316800|2.998746|0.060747|2.383802|3.181000|2.602739|3.643914|0.076906|2.238319|2.174585|4.154147|2.181033|3.060934|4.013728|0.111952|4.761080|12.901711|8.849336|17.561266|6.860342|7.264219|1.456542|0.037844|0.042700|0.041586|0.036215|0.036131|0.048662|0.046196|0.065536|0.081919|0.057910|0.059422|0.053794|0.061550|0.053997|0.061207|0.063088|0.081998|0.078635|0.119321|0.117256|0.173848|0.500000| |1.304295|1.326390|1.242338|1.244878|1.331956|1.439045|1.434051|1.560537|1.549474|12.116377|1.821801|1.709301|1.744989|2.921820|2.612416|0.053500|2.060447|2.731107|2.277671|3.210105|0.066226|2.029881|1.991506|3.717903|1.976789|2.741898|3.410531|0.095598|4.238131|10.234107|8.851821|17.572686|6.847512|5.779282|1.310983|0.033775|0.037525|0.036832|0.032636|0.032736|0.042131|0.040444|0.058901|0.070481|0.052190|0.054928|0.049706|0.057410|0.049376|0.056473|0.056304|0.074556|0.072871|0.107940|0.114135|0.212801|0.300913|0.500000| |1.422648|1.455234|1.361691|1.367856|1.469863|1.591920|1.580922|1.730775|1.693838|13.224744|2.044067|1.927979|2.005753|3.356398|3.056136|0.063344|2.399828|3.104164|2.703455|3.702738|0.075397|2.272539|2.160968|3.997911|2.064214|3.190469|4.193328|0.125514|5.017225|13.088275|8.847555|17.581509|5.494346|6.889210|1.446079|0.036579|0.040767|0.040395|0.035631|0.035876|0.046406|0.043727|0.069547|0.086699|0.058316|0.061739|0.053453|0.061777|0.051490|0.058202|0.058314|0.083151|0.085307|0.116529|0.134963|0.214371|0.300802|0.300777|0.500000| |1.246114|1.276963|1.198928|1.210159|1.304354|1.408599|1.389944|1.548380|1.568437|12.567434|1.845261|1.690035|1.686242|2.783037|2.524044|0.050780|2.046086|2.788970|2.265504|3.375025|0.070713|2.174214|2.232817|4.245597|2.331321|2.937915|3.510068|0.090367|4.701958|10.065390|8.853195|6.883340|17.569555|6.017418|1.296281|0.032406|0.035952|0.034752|0.031403|0.031862|0.040805|0.041092|0.058252|0.067805|0.055136|0.058122|0.055401|0.065653|0.057253|0.068553|0.066912|0.084890|0.076234|0.137536|0.122821|0.211865|0.170024|0.205066|0.140704|0.500000| |1.390986|1.428383|1.328180|1.338820|1.454740|1.592094|1.573036|1.773806|1.810699|14.757593|2.157283|1.945310|1.915815|3.120320|2.870858|0.056923|2.365519|3.278753|2.590118|3.901393|0.084418|2.442999|2.507864|4.947691|2.696113|3.352715|4.192517|0.104050|5.473537|12.592617|8.837344|6.843204|17.558395|7.774319|1.437645|0.035944|0.040415|0.038654|0.034558|0.034984|0.046654|0.047194|0.064782|0.077951|0.062159|0.063696|0.061400|0.072294|0.064990|0.077808|0.079454|0.096783|0.083177|0.164721|0.127241|0.173538|0.204156|0.168403|0.140336|0.300956|0.500000| |1.299985|1.347380|1.266985|1.289980|1.404954|1.519377|1.481003|1.695888|1.727830|14.183904|2.089132|1.873764|1.857149|3.020803|2.821142|0.056259|2.349564|3.231891|2.655078|4.142850|0.087311|2.643190|2.778648|5.352238|2.933358|3.762546|4.480236|0.107546|6.604823|12.334631|8.744888|5.474037|17.562205|7.538547|1.408930|0.033729|0.037459|0.036053|0.032994|0.033930|0.043403|0.044926|0.067501|0.078581|0.065563|0.069852|0.067380|0.083241|0.070011|0.088153|0.083761|0.113795|0.094734|0.226776|0.162385|0.212344|0.139926|0.140241|0.122841|0.302720|0.300697|0.500000| |1.793251|1.893066|1.741586|1.778538|1.992484|2.235008|2.160632|2.603751|2.602006|22.190716|3.541978|3.056462|3.038681|4.712538|4.849051|0.093546|4.304577|5.870656|4.877876|7.271167|0.168542|3.828395|3.573474|7.267524|3.461407|6.009093|9.891050|0.222445|7.742493|15.054932|5.388132|4.635866|4.751281|35.577973|1.971344|0.045328|0.051956|0.049806|0.044371|0.045777|0.064574|0.064786|0.109075|0.159067|0.097002|0.094802|0.083143|0.096676|0.081631|0.092486|0.100850|0.150759|0.131124|0.190118|0.152229|0.123648|0.138778|0.102898|0.124000|0.104653|0.143390|0.127641|0.500000| |3.015063|3.938851|4.364344|6.071049|8.849815|6.427292|4.492597|5.992447|4.526789|26.587411|4.468832|5.936284|6.236259|12.145572|6.330443|0.118539|3.850221|5.109946|3.062910|3.619114|0.074166|2.698206|2.338115|4.121654|2.058563|2.219728|2.102923|0.059458|1.801447|3.070526|1.530223|1.482342|1.453633|3.957745|17.550114|0.076643|0.077716|0.079872|0.101713|0.160447|0.105427|0.110044|0.085651|0.077809|0.086948|0.071777|0.065475|0.058022|0.057885|0.051924|0.056294|0.057441|0.060001|0.048517|0.047803|0.041088|0.042171|0.037975|0.042268|0.037336|0.041340|0.040700|0.057801|0.500000| |3.002245|3.923417|4.234730|5.756896|8.808464|6.813094|4.609673|6.822763|5.747063|31.394869|4.658884|5.718602|4.891000|8.405072|5.250999|0.095054|3.509832|5.052305|2.801310|3.479606|0.073111|2.642423|2.374346|4.271595|2.175870|2.131608|2.010445|0.055658|1.740496|2.962197|1.483514|1.429133|1.431512|3.844395|17.558967|0.077507|0.079165|0.076523|0.098124|0.148255|0.109197|0.144591|0.076464|0.070681|0.085861|0.068752|0.067568|0.058325|0.062219|0.054179|0.060014|0.056310|0.056770|0.047605|0.045852|0.039659|0.040847|0.036726|0.040293|0.036785|0.040966|0.040280|0.056234|0.301344|0.500000| 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