Version2.1 2020-12-18T10:54:34Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 29-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1c2c(=O)[nH]c(nc2sc1C(=O)OC)C[NH+](Cc3ccco3)C[C@@H](COC(C)(C)C)O C36206719 RHF 6-31G(d) (6D,7F) CCc1c2c(=O)[nH]c(nc2sc1C(=O)OC)C[NH+](Cc3ccco3)C[C@@H](COC(C)(C)C)O C01[X(C23H32N3O6S1)] 189 C1 563 COC(=O)c1sc2c(c1CC)c(=O)[nH]c(n2)C[NH+](Cc1ccco1)C[C@@H](COC(C)(C)C)O COC(=O)c1sc2c(c1CC)c(=O)[nH]c(n2)C[NH+](Cc1ccco1)C[C@@H](COC(C)(C)C)O CCc1c(sc2N=C(C[NH+](C[C@H](O)COC(C)(C)C)Cc3occc3)NC(=O)c12)C(=O)OC InChIKey=AFXDYUOZYJXBJY-AWEZNQCLSA-O InChI=1S/C23H31N3O6S/c1-6-16-18-20(28)24-17(25-21(18)33-19(16)22(29)30-5)12-26(11-15-8-7-9-31-15)10-14(27)13-32-23(2,3)4/h7-9,14,27H,6,10-13H2,1-5H3,(H,24,25,28)/p+1/t14-/m0/s1 InChI=1/C23H31N3O6S/c1-6-16-18-20(28)24-17(25-21(18)33-19(16)22(29)30-5)12-26(11-15-8-7-9-31-15)10-14(27)13-32-23(2,3)4/h7-9,14,27H,6,10-13H2,1-5H3,(H,24,25,28)/p+1/t14-/m0/s1/fC23H32N3O6S/h24,26H/q+1 CCc1c2c(=O)[nH]c(nc2sc1C(=O)OC)C[NH+](Cc3ccco3)C[C@@H](COC(C)(C)C)O C01[X(C23H32N3O6S1)] 189 C01 563 COC(=O)c1sc2c(c1CC)c(=O)[nH]c(n2)C[NH+](Cc1ccco1)C[C@@H](COC(C)(C)C)O COC(=O)C1=[C]([C]2[C](S1)N=C(NC2=O)C[NH](CC1=[CH][CH]=CO1)C[C@@H](COC(C)(C)C)O)CC CCC1=C(S[C]2N=C(C[NH](C[C@H](O)COC(C)(C)C)Cc3occc3)NC(=O)[C]12)C(=O)OC InChIKey=VTOPIFZHUBSILR-AWEZNQCLSA-N InChI=1S/C23H32N3O6S/c1-6-16-18-20(28)24-17(25-21(18)33-19(16)22(29)30-5)12-26(11-15-8-7-9-31-15)10-14(27)13-32-23(2,3)4/h7-9,14,26-27H,6,10-13H2,1-5H3,(H,24,25,28)/t14-/m0/s1 InChI=1/C23H32N3O6S/c1-6-16-18-20(28)24-17(25-21(18)33-19(16)22(29)30-5)12-26(11-15-8-7-9-31-15)10-14(27)13-32-23(2,3)4/h7-9,14,26-27H,6,10-13H2,1-5H3,(H,24,25,28)/t14-/m0/s1/f/h24H 3650.0000756233 -1899.4404961 1-A 22855.1340 127 436 563 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1607.95 1637.21 1643.42 1653.16 1659.84 1696.82 1708.16 1732.66 1736.48 1777.46 1784.59 1817.32 1838.58 1860.43 1865.10 1882.45 1922.13 1928.28 1936.55 1943.63 1958.30 1972.36 1992.55 2004.29 2018.70 2021.23 2025.44 2048.49 2074.07 2079.01 2087.66 2131.45 2154.25 2194.25 2209.39 2216.11 2231.28 2240.99 2244.04 2245.68 2246.47 2263.75 2279.61 2293.48 2317.25 2327.18 2331.15 2334.11 2344.99 2346.29 2346.63 2349.16 2350.18 2355.90 2359.78 2364.33 2368.38 2371.84 2373.86 2377.27 2379.37 2393.60 2410.47 2424.06 2436.20 2521.40 2608.65 2638.84 2864.26 2890.07 4602.38 4611.85 4619.51 4626.56 4628.89 4638.59 4679.79 4693.07 4708.75 4712.29 4715.44 4719.77 4723.69 4725.10 4727.13 4730.00 4730.85 4734.92 4741.07 4746.86 4811.45 4819.87 4833.62 4839.68 4842.89 4844.66 4952.58 4978.10 5023.59 5214.41 5501.73 5831.39 0.584808 0.617149 0.618093 0.515015 -1898.855688 -1898.823347 -1898.822403 -1898.925481 3.457253D-04 MUNgauss RevisionA2.0 retrievium 18-Dec-2020 DUDE CCc1c2c(=O)[nH]c(nc2sc1C(=O)OC)C[NH+](Cc3ccco3)C[C@@H](COC(C)(C)C)O C36206719 RHF 6-31G(d) (6D,10F) C1 478.201183 |X|Y|Z| 127.255946 62.880575 52.028674 74.669937 17 6 7 8 16 12 3 1 1 |36.858105| |12.419420|36.858105| |7.539638|12.596129|36.858105| |5.596259|7.313821|13.176901|36.858105| |5.056611|5.979273|7.289666|13.080725|36.858105| |5.419967|6.122048|6.111589|7.955672|16.013726|73.516695| |3.736920|4.172762|5.047796|8.029781|13.501197|15.096559|53.358707| |3.382786|3.666137|4.136359|5.824499|9.350301|14.098928|25.932690|0.500000| |3.246416|3.618172|4.592994|7.000120|7.808194|9.703498|19.266965|0.258023|36.858105| |3.336095|3.791891|5.186780|7.805988|6.648810|8.368182|11.195094|0.164877|14.966955|53.358707| |4.189341|5.040533|8.108569|13.937334|7.858970|9.510788|9.870545|0.145908|8.505169|18.854434|36.858105| |3.906168|4.663654|7.304937|7.422892|4.831483|6.827115|5.982962|0.099216|4.964687|9.614418|11.149407|388.023441| |5.559744|7.436288|14.043437|8.287175|5.132641|7.691555|5.602968|0.095166|4.108888|6.810932|7.762757|77.376702|36.858105| |4.944584|6.036366|7.484023|5.089269|3.731167|5.987531|4.253014|0.075446|3.120174|4.973802|4.890952|48.593936|12.862801|36.858105| |5.405810|6.344978|6.376051|4.351752|3.407496|5.722985|3.844985|0.069702|2.743542|4.200329|3.958671|34.611850|8.040540|16.037372|73.516695| |3.723255|4.290193|5.270217|4.170999|3.171466|5.047448|3.808431|0.068045|2.899652|4.711926|4.391927|47.980317|8.237251|14.422150|15.279346|73.516695| |3.178488|3.503586|3.916037|3.209159|2.589689|4.243075|3.157003|0.057686|2.383339|3.749231|3.306843|32.061872|5.226300|8.131176|12.774520|23.787214|36.858105| |2.606089|2.820476|3.366995|4.502293|5.038287|7.247936|10.647585|0.204027|12.607493|10.807394|5.223519|26.586183|3.127992|2.525926|4.020325|4.287412|2.045305|36.858105| |2.334478|2.514460|3.025755|3.830864|3.892350|5.722346|7.018787|0.131126|7.759627|9.800893|4.739394|26.623523|2.965939|2.448455|3.853419|4.291545|2.057778|12.774279|53.358707| |2.433953|2.673152|3.305290|4.194291|4.030351|5.802058|6.971978|0.124056|7.977709|12.203729|5.549020|31.493960|3.319324|2.705758|4.184306|4.794101|2.264993|9.477190|25.584849|0.500000| |2.298217|2.397242|2.864077|3.519250|3.505281|5.248360|5.972389|0.112321|6.000120|8.141761|4.304089|25.495371|2.849822|2.390083|3.771189|4.222621|2.039944|7.679513|17.091494|0.259552|36.858105| |2.104244|2.194769|2.617214|3.070572|2.927104|4.454827|4.665069|0.087395|4.430531|6.616763|3.790456|24.763548|2.706680|2.333614|3.660960|4.247636|2.073810|5.032112|10.377822|0.205362|12.838108|36.858105| |2.150834|2.242800|2.704309|3.080585|2.814310|4.283324|4.284165|0.078897|3.961794|6.335575|3.870468|27.405117|2.898547|2.532867|3.921564|4.728328|2.303023|4.078489|7.480337|0.165962|7.373914|14.193879|36.858105| |1.864672|1.937880|2.278686|2.521330|2.329996|3.632528|3.488967|0.065649|3.095824|4.769223|3.044364|22.202403|2.449323|2.213526|3.475669|4.189086|2.100619|3.245506|5.737493|0.123998|5.160366|8.581507|13.261064|36.858105| |1.731233|1.797644|2.083860|2.328509|2.213160|3.481438|3.376737|0.064733|2.984720|4.402719|2.755646|19.306864|2.190361|1.974860|3.140231|3.677985|1.856953|3.296373|5.960093|0.122113|5.349183|8.784132|8.606398|14.217721|36.858105| |1.832967|1.906196|2.218352|2.545232|2.467950|3.850934|3.887853|0.074899|3.524207|5.053816|3.024186|20.160130|2.286325|2.018949|3.212013|3.691532|1.841178|4.122136|8.020662|0.153341|7.853285|14.091452|8.614589|8.616410|14.168547|73.516695| |1.991047|2.140844|2.494769|3.019499|3.101861|4.771117|5.324944|0.105172|5.089732|6.460078|3.546510|21.277489|2.458213|2.097034|3.348543|3.711065|1.820283|7.627879|17.182627|0.255320|7.556793|6.120131|4.512976|3.887598|4.366587|10.501564|36.858105| |1.928309|2.117530|2.464516|2.932663|2.957863|4.575226|4.893798|0.095694|4.520881|5.998820|3.435524|21.202046|2.452040|2.108021|3.360400|3.757557|1.847723|5.828856|10.397696|0.212793|5.057842|4.642147|3.859715|3.466772|3.761351|8.072800|12.526099|36.858105| |1.929638|2.128215|2.506780|2.938669|2.856607|4.389424|4.580207|0.087327|4.262328|6.088697|3.535613|22.758343|2.556805|2.210696|3.488071|4.008659|1.967075|5.027695|9.370028|0.219884|4.936835|4.960172|4.308700|3.919783|4.167111|8.580004|8.916725|17.505198|0.500000| |1.681980|1.829937|2.074177|2.396663|2.441686|3.897281|3.916391|0.078782|3.382128|4.444800|2.703957|17.208830|2.061408|1.816122|2.938275|3.245199|1.627876|4.186453|6.726993|0.132801|3.817759|3.645317|3.114397|2.962457|3.303319|6.811629|7.547418|12.503117|0.248523|36.858105| |1.640154|1.805262|2.034763|2.313150|2.331377|3.748803|3.636924|0.072717|3.065099|4.106758|2.584503|16.786634|2.032608|1.807717|2.931114|3.241410|1.634501|3.549758|5.411476|0.112877|3.148675|3.061467|2.746619|2.636115|2.841458|5.587258|5.177794|8.266928|0.206425|13.712381|73.516695| |1.468547|1.604829|1.777655|1.981855|2.002833|3.280596|3.060041|0.061843|2.501787|3.348211|2.169920|14.343558|1.776117|1.606767|2.633408|2.885245|1.476419|2.833465|4.200973|0.086567|2.580430|2.540816|2.319018|2.277440|2.459660|4.716085|3.844791|5.162713|0.134914|7.756324|23.568218|36.858105| |1.415029|1.534811|1.677911|1.874024|1.934158|3.212152|2.968524|0.061237|2.374929|3.095246|2.013218|13.104596|1.652823|1.494988|2.472064|2.656110|1.363090|2.725755|3.895494|0.077891|2.417672|2.321681|2.095583|2.042674|2.216169|4.305675|3.553715|4.392580|0.108390|6.380804|13.885893|12.463193|36.858105| |1.459123|1.610080|1.773876|1.949635|1.952002|3.214680|2.918081|0.058595|2.348871|3.183933|2.116162|14.203530|1.779214|1.623612|2.668397|2.920981|1.502240|2.555989|3.700078|0.078129|2.292056|2.264375|2.121883|2.077507|2.184398|4.108823|3.178865|4.176961|0.114552|5.198970|14.554239|12.492452|7.593002|36.858105| |1.366194|1.478485|1.636822|1.806257|1.805399|2.959533|2.734846|0.054996|2.244440|3.051069|1.988381|13.413943|1.653631|1.511948|2.478706|2.742529|1.415057|2.527902|3.853986|0.079341|2.465611|2.512663|2.313112|2.345657|2.576322|4.818018|3.511541|4.406923|0.122054|6.294960|13.927585|12.463545|7.544511|7.596697|36.858105| |2.103433|2.357082|2.748657|3.342048|3.446311|5.289144|5.811373|0.113668|5.295523|6.701672|3.846924|22.698641|2.673503|2.259276|3.605751|3.955442|1.926274|6.566470|9.386910|0.199853|4.471751|3.893864|3.374189|2.960377|3.076918|6.420028|8.091815|13.628330|0.259194|7.923085|12.693509|4.722423|4.209953|4.161651|3.775507|73.516695| |17.566447|8.746054|6.816325|5.930618|5.822541|11.425449|5.773003|0.107262|3.571099|4.852815|4.372172|27.161511|4.982232|4.203293|7.682673|5.918946|2.834802|2.845218|3.403465|0.071457|2.482333|2.230073|2.251219|1.932647|1.803859|3.432431|2.108608|2.009186|0.055359|1.744844|2.992485|1.501411|1.454262|1.478155|1.395352|3.893604|0.500000| |17.579095|8.776848|6.810346|4.984166|4.275101|7.685396|4.545343|0.083569|3.027875|4.355634|4.018786|28.562199|5.793968|5.568923|11.164895|7.367558|3.562100|2.461081|3.074356|0.065754|2.262525|2.107906|2.190810|1.904746|1.749866|3.259881|1.926946|1.862197|0.052252|1.626149|2.816072|1.420851|1.361970|1.410619|1.332796|3.559451|0.300004|0.500000| |17.573543|8.835112|5.509366|4.386665|4.212225|8.413200|4.409552|0.083982|2.813776|3.868865|3.428768|22.960005|4.361267|4.125391|8.341198|5.729592|2.866283|2.326943|2.843122|0.060038|2.051221|1.886188|1.917922|1.686308|1.578147|2.961828|1.814108|1.765503|0.048888|1.560407|2.717304|1.380982|1.338489|1.377095|1.285236|3.420883|0.302033|0.301627|0.500000| |8.858873|17.625221|8.989506|6.960009|6.650206|13.537858|6.093457|0.111719|3.701658|5.053080|4.715650|29.013183|5.697714|4.657680|8.530289|6.348123|2.992148|2.899992|3.435485|0.073827|2.361794|2.132730|2.141688|1.857168|1.744999|3.317247|2.167970|2.155032|0.059424|1.869952|3.289169|1.646236|1.586642|1.654736|1.502545|4.336567|0.211109|0.173305|0.214091|0.500000| |8.867202|17.672551|8.969339|5.559037|4.582008|8.257541|4.705588|0.085779|3.111190|4.504864|4.286062|30.745526|7.005020|6.751467|14.277190|8.229418|3.880330|2.499799|3.101647|0.067658|2.173065|2.027430|2.091608|1.833906|1.697450|3.163904|1.973899|1.977950|0.055662|1.727038|3.060279|1.542193|1.469435|1.561751|1.425713|3.890956|0.173120|0.212367|0.213795|0.302328|0.500000| |3.272511|3.440391|3.719050|3.040438|2.491577|4.131435|3.027140|0.055667|2.262898|3.511506|3.074777|28.572134|4.760091|7.208189|12.751933|16.422718|17.648392|1.950142|2.657475|0.059001|1.962020|1.988581|2.203665|2.012740|1.782794|3.143668|1.725708|1.730827|0.050806|1.531633|2.714931|1.384618|1.287471|1.400534|1.330845|3.194534|0.080685|0.105213|0.082471|0.080853|0.105347|0.500000| |2.745717|2.997940|3.391582|2.914980|2.385812|3.887308|2.977321|0.054593|2.286313|3.614811|3.097368|30.128280|4.417938|5.945857|9.171900|16.903873|17.676867|1.993216|2.778028|0.062644|2.032219|2.103946|2.368151|2.191969|1.921275|3.341644|1.819693|1.854443|0.055378|1.639146|2.930874|1.491961|1.368340|1.518580|1.441241|3.395661|0.069677|0.084180|0.069192|0.072881|0.089851|0.298346|0.500000| |3.085184|3.474648|3.733565|3.039846|2.493671|4.142706|3.023423|0.055648|2.254853|3.491241|3.060021|28.276489|4.753150|7.201471|12.726434|16.426697|17.649808|1.943667|2.638525|0.059049|1.897025|1.913146|2.092573|1.920640|1.720816|3.046757|1.732738|1.775727|0.052275|1.576427|2.838571|1.450444|1.341860|1.488684|1.384301|3.319222|0.075510|0.093992|0.078915|0.083556|0.110680|0.299904|0.298425|0.500000| |2.538005|2.664375|3.092288|4.026380|4.659699|7.013448|9.528981|0.202905|8.836688|8.236239|4.428203|23.369525|2.847132|2.338017|3.773824|3.951376|1.908177|17.599980|12.334434|0.184927|7.509578|4.760008|3.808700|3.074702|3.166809|7.096219|6.416107|4.720338|0.114064|3.688309|5.528044|2.566531|2.527497|2.303668|2.326500|8.893394|0.078242|0.066595|0.063395|0.076129|0.065380|0.051136|0.051565|0.050328|0.500000| |2.444476|2.682462|3.128785|4.076600|4.659387|6.965827|9.418448|0.195832|8.966376|8.492131|4.527482|23.884144|2.890335|2.368574|3.806655|4.017743|1.935567|17.681373|12.354496|0.209556|5.649727|4.158744|3.463072|2.884408|2.969846|6.451188|7.569588|6.512098|0.144988|4.720946|7.150999|3.158968|3.085134|2.836228|2.723584|15.068114|0.073255|0.063581|0.061494|0.078071|0.066735|0.051042|0.052404|0.051692|0.299996|0.500000| |2.593279|2.675543|3.246918|4.073437|4.019504|5.896977|6.829026|0.124348|6.906625|9.549774|5.036866|28.747446|3.203942|2.634722|4.136193|4.595175|2.191189|7.516449|12.380417|0.220263|17.682206|9.048393|6.866903|4.657397|4.483671|10.316930|5.587728|4.193584|0.114932|3.243575|4.947595|2.316907|2.184546|2.104782|2.200478|7.079969|0.078906|0.071095|0.063397|0.072506|0.066410|0.058911|0.060064|0.056184|0.211618|0.147736|0.500000| |2.132256|2.194112|2.550281|3.083598|3.178281|4.904232|5.405623|0.106639|5.025751|6.368993|3.579969|21.414670|2.501771|2.133288|3.420615|3.747096|1.838414|6.792503|12.339121|0.182161|17.620117|8.930276|5.648291|4.456300|4.927503|13.061639|7.159692|4.621275|0.119834|3.716380|5.349463|2.513719|2.411694|2.203335|2.415030|7.227146|0.064323|0.058078|0.053490|0.060578|0.055353|0.049473|0.050785|0.047802|0.213137|0.147250|0.299932|0.500000| |2.388251|2.491644|3.072199|3.478009|3.063548|4.604911|4.549155|0.081963|4.192080|7.096836|4.502026|33.341043|3.372583|2.915482|4.434891|5.484877|2.617709|4.012734|6.871933|0.158527|6.379431|8.821005|17.787853|8.454225|5.856660|10.435677|3.973523|3.514827|0.108315|2.829456|4.547671|2.169420|1.967146|2.022885|2.135838|5.734718|0.069231|0.068295|0.058417|0.065086|0.064374|0.069543|0.074647|0.065049|0.103256|0.093944|0.188999|0.135757|0.500000| |1.792020|1.858223|2.170215|2.346879|2.147286|3.377179|3.146680|0.059262|2.729271|4.220997|2.798545|21.188937|2.365554|2.184756|3.436719|4.203619|2.139285|2.791027|4.715547|0.102889|4.047717|5.848381|8.457509|17.814509|8.825046|10.443333|3.231161|2.994737|0.094134|2.621759|4.257751|2.106213|1.886257|1.951678|2.185834|4.651566|0.051134|0.051265|0.045173|0.049173|0.049325|0.056995|0.062856|0.054088|0.073587|0.069997|0.105754|0.099436|0.193416|0.500000| |1.578465|1.635389|1.869606|2.067230|1.982668|3.158902|3.004387|0.058290|2.598296|3.763405|2.397991|16.850886|1.956791|1.786078|2.866938|3.325299|1.701112|2.880704|5.017548|0.101564|4.278428|6.036573|5.818943|8.616824|17.837961|16.502133|3.868539|3.429447|0.104171|3.172620|4.879021|2.433412|2.198896|2.147602|2.616226|4.982985|0.045545|0.044266|0.040287|0.044276|0.043132|0.045456|0.048983|0.044078|0.077615|0.073836|0.101420|0.115083|0.123143|0.195162|0.500000| |1.858857|1.975649|2.289284|2.706446|2.730654|4.248754|4.524098|0.089166|4.196322|5.575806|3.175504|19.857074|2.290368|1.985690|3.175562|3.556207|1.760976|5.684070|12.326669|0.203667|7.608119|7.168352|4.996834|4.499519|5.460221|14.299697|17.681834|8.871636|0.218245|6.759939|8.341959|3.650630|3.340795|2.992828|3.538365|10.294453|0.054513|0.050493|0.047170|0.055035|0.050955|0.046539|0.049298|0.046355|0.144309|0.149326|0.149086|0.209353|0.115465|0.101018|0.134394|0.500000| |1.938262|2.066742|2.362998|2.856951|3.041256|4.772917|5.292213|0.109263|4.787509|5.702253|3.228641|19.124637|2.285378|1.958088|3.164651|3.426218|1.692401|7.547039|12.354712|0.183110|6.350016|4.928626|3.749400|3.290508|3.696412|8.649408|17.621294|8.781657|0.173538|6.905210|8.491039|3.710498|3.646279|3.042457|3.336295|12.617930|0.057425|0.051725|0.049417|0.058754|0.052746|0.044853|0.046712|0.044984|0.195870|0.226161|0.138784|0.189570|0.093765|0.077605|0.093731|0.301150|0.500000| |1.586780|1.709714|1.933538|2.207663|2.225528|3.565661|3.522901|0.070620|3.035154|4.064571|2.497970|16.249720|1.941027|1.727850|2.797809|3.114182|1.573434|3.700562|6.161588|0.121234|3.748845|3.759354|3.205676|3.161132|3.653039|7.446193|6.804204|8.847890|0.217467|17.544515|16.413241|6.871339|5.615950|4.638136|6.922649|10.153631|0.045688|0.042936|0.040933|0.048141|0.044981|0.041249|0.044292|0.042160|0.093205|0.110229|0.087291|0.102690|0.079113|0.077502|0.100115|0.198733|0.169229|0.500000| |1.652869|1.786771|2.001038|2.319111|2.419168|3.909496|3.917681|0.080770|3.301708|4.186842|2.561722|16.040450|1.960082|1.726402|2.816043|3.053827|1.536290|4.193743|6.317549|0.118970|3.636967|3.341220|2.828580|2.670902|2.981118|6.218501|6.980731|8.870235|0.174638|17.536822|16.479712|6.823803|6.996394|4.670855|5.418955|12.558920|0.047904|0.044146|0.042797|0.051112|0.046650|0.040390|0.042713|0.041430|0.105926|0.135698|0.086690|0.102031|0.071945|0.065855|0.079975|0.168805|0.210174|0.299996|0.500000| |1.482022|1.615587|1.760345|1.977095|2.065254|3.443520|3.182443|0.066217|2.516247|3.230430|2.103731|13.501470|1.716709|1.543776|2.557666|2.720549|1.390664|2.884300|3.990245|0.079622|2.435734|2.290281|2.065099|1.980312|2.124045|4.162216|3.571875|4.414489|0.106211|5.941146|12.788213|8.804381|17.559323|6.878056|5.493080|8.112248|0.042360|0.039369|0.038987|0.046770|0.042849|0.036474|0.038556|0.038141|0.073957|0.092989|0.061726|0.067361|0.054377|0.050724|0.057829|0.090251|0.103713|0.136036|0.189995|0.500000| |1.318092|1.425149|1.544813|1.705197|1.754810|2.939396|2.654782|0.054796|2.097721|2.750693|1.817114|11.965891|1.524723|1.392456|2.315048|2.477690|1.281638|2.361762|3.352040|0.067365|2.129570|2.064440|1.887947|1.857227|2.004726|3.834961|2.963667|3.533354|0.090131|4.742078|10.058539|8.845044|17.576231|6.987766|6.783742|6.082796|0.037500|0.035301|0.034805|0.040897|0.038103|0.033678|0.035779|0.035162|0.061483|0.073141|0.054011|0.059114|0.049463|0.048132|0.055701|0.078724|0.084205|0.123003|0.140079|0.301410|0.500000| |1.399079|1.504766|1.645677|1.846440|1.916071|3.181570|2.968553|0.061608|2.384726|3.083004|1.986807|12.862966|1.618167|1.460902|2.416165|2.593400|1.330352|2.798385|4.035927|0.078931|2.531646|2.421997|2.152714|2.105456|2.323106|4.567176|3.790062|4.462683|0.107645|6.743017|12.098214|8.721417|17.559028|5.491898|6.919890|7.266081|0.040160|0.037458|0.036728|0.043118|0.039844|0.035060|0.037094|0.036218|0.073217|0.087398|0.062845|0.071402|0.055572|0.053619|0.064471|0.100629|0.111013|0.173885|0.227547|0.300353|0.303117|0.500000| |1.486893|1.647795|1.829123|1.998089|1.967305|3.217245|2.916843|0.057816|2.369808|3.280923|2.192630|14.983869|1.857547|1.701741|2.781104|3.091162|1.590163|2.536383|3.732913|0.080522|2.323657|2.336344|2.223197|2.189591|2.277950|4.222590|3.148644|4.172960|0.121112|4.883002|13.246931|8.831310|5.514697|17.575551|6.950343|7.284219|0.041643|0.040116|0.038856|0.046724|0.044599|0.040940|0.044921|0.043751|0.062989|0.076904|0.059403|0.061202|0.059032|0.057516|0.062043|0.083169|0.081472|0.124517|0.116244|0.141125|0.141694|0.122817|0.500000| |1.351855|1.482803|1.617114|1.759211|1.764259|2.933891|2.612121|0.052718|2.075989|2.810224|1.890431|12.789182|1.621807|1.494731|2.473560|2.690386|1.396513|2.244000|3.222826|0.067513|2.042301|2.026503|1.910759|1.888565|1.986707|3.700850|2.733418|3.415492|0.093728|4.186517|10.283564|8.818763|6.865682|17.577542|6.890994|6.016922|0.037977|0.036361|0.035631|0.042316|0.040117|0.036291|0.039248|0.038553|0.057053|0.068477|0.052421|0.055006|0.050686|0.049686|0.054792|0.072596|0.073654|0.108474|0.108728|0.167816|0.207669|0.140754|0.300844|0.500000| |1.527941|1.698734|1.865255|2.057056|2.076818|3.431591|3.102060|0.062538|2.468656|3.310855|2.210698|14.651464|1.853212|1.682007|2.770215|2.999528|1.536203|2.664247|3.749965|0.079247|2.291010|2.220545|2.078240|2.001469|2.084230|3.957756|3.162014|4.150424|0.110948|4.896741|13.160634|8.824948|6.966460|17.567338|5.513759|7.916443|0.042971|0.040769|0.040111|0.048896|0.045724|0.039737|0.042849|0.042474|0.066298|0.083621|0.059008|0.061049|0.055600|0.052127|0.056318|0.080594|0.085111|0.115821|0.127018|0.207448|0.174294|0.140949|0.300923|0.301057|0.500000| |1.352702|1.452560|1.608257|1.783128|1.791879|2.937009|2.736820|0.055291|2.255063|3.043434|1.965257|13.172904|1.620618|1.478218|2.424514|2.676759|1.380053|2.588262|3.996782|0.080601|2.591375|2.647223|2.396044|2.448375|2.756489|5.206821|3.746862|4.489470|0.121418|6.662792|12.157186|8.723359|6.905885|5.493264|17.558405|6.562322|0.038575|0.036698|0.035320|0.040947|0.038738|0.036231|0.039016|0.037335|0.067006|0.076878|0.063432|0.071622|0.060646|0.062798|0.078824|0.108031|0.100077|0.230766|0.164571|0.141297|0.168646|0.208219|0.140916|0.140898|0.122795|0.500000| |1.276043|1.376982|1.510368|1.650583|1.651957|2.732432|2.475390|0.049978|2.001474|2.717230|1.797208|12.206749|1.524700|1.406166|2.319717|2.549803|1.326171|2.223445|3.324426|0.068337|2.164243|2.203009|2.051310|2.089668|2.275941|4.205778|2.938839|3.541168|0.097941|4.707250|10.069630|8.839050|6.796215|6.969421|17.574623|5.624237|0.036108|0.034597|0.033514|0.038906|0.037044|0.034717|0.037525|0.036179|0.057461|0.066307|0.054343|0.059203|0.053045|0.054726|0.064632|0.082214|0.078864|0.139743|0.120045|0.139072|0.199524|0.169655|0.172920|0.207900|0.141618|0.303166|0.500000| |1.390122|1.508485|1.681487|1.846990|1.819887|2.964608|2.738856|0.054448|2.268365|3.144040|2.055058|14.087175|1.717632|1.575563|2.569630|2.884150|1.488659|2.517530|3.909966|0.082215|2.517570|2.626924|2.458350|2.524680|2.752380|5.039203|3.493729|4.431462|0.131026|5.810754|12.830832|8.813678|5.494927|6.903503|17.565347|6.647182|0.039292|0.037842|0.036215|0.042324|0.040538|0.038728|0.042379|0.040368|0.063815|0.074210|0.062453|0.067427|0.062958|0.065797|0.077683|0.099137|0.089222|0.181515|0.131363|0.123188|0.139088|0.141349|0.207713|0.169205|0.141207|0.300364|0.301243|0.500000| 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