Version2.0 2020-07-17T02:49:24Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 14-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc2oc(c1ccccc1)nc2CCOc5cccc(Cc4cn(c3ccccc3)nc4C(O)=O)c5 457620 CHEMBL474149 RHF 6-31G(d) (6D,7F) Cc2oc(c1ccccc1)nc2CCOc5cccc(Cc4cn(c3ccccc3)nc4C(O)=O)c5 C01[X(C29H25N3O4)] 177 C1 590 OC(=O)c1nn(cc1Cc1cccc(c1)OCCc1nc(oc1C)c1ccccc1)c1ccccc1 OC(=O)c1nn(cc1Cc1cccc(c1)OCCc1nc(oc1C)c1ccccc1)c1ccccc1 Cc1oc(nc1CCOc2cccc(Cc3cn(nc3C(O)=O)c4ccccc4)c2)c5ccccc5 InChIKey=HZIAVVQCQZRYKZ-UHFFFAOYSA-N InChI=1S/C29H25N3O4/c1-20-26(30-28(36-20)22-10-4-2-5-11-22)15-16-35-25-14-8-9-21(18-25)17-23-19-32(31-27(23)29(33)34)24-12-6-3-7-13-24/h2-14,18-19H,15-17H2,1H3,(H,33,34) InChI=1/C29H25N3O4/c1-20-26(30-28(36-20)22-10-4-2-5-11-22)15-16-35-25-14-8-9-21(18-25)17-23-19-32(31-27(23)29(33)34)24-12-6-3-7-13-24/h2-14,18-19H,15-17H2,1H3,(H,33,34)/f/h33H Cc2oc(c1ccccc1)nc2CCOc5cccc(Cc4cn(c3ccccc3)nc4C(O)=O)c5 C01[X(C29H25N3O4)] 177 C01 590 OC(=O)c1nn(cc1Cc1cccc(c1)OCCc1nc(oc1C)c1ccccc1)c1ccccc1 Cc1oc(nc1CCO[C]1[CH][CH][CH][C]([CH]1)C[C]1=C[N]([N][C]1C(=O)O)[C]1[CH][CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH][CH]1 Cc1oc(nc1CCO[C]2[CH][CH][CH][C]([CH]2)CC3=CN([N][C]3C(O)=O)[C]4[CH][CH][CH][CH][CH]4)[C]5[CH][CH][CH][CH][CH]5 InChIKey=HZIAVVQCQZRYKZ-UHFFFAOYSA-N InChI=1S/C29H25N3O4/c1-20-26(30-28(36-20)22-10-4-2-5-11-22)15-16-35-25-14-8-9-21(18-25)17-23-19-32(31-27(23)29(33)34)24-12-6-3-7-13-24/h2-14,18-19H,15-17H2,1H3,(H,33,34) InChI=1/C29H25N3O4/c1-20-26(30-28(36-20)22-10-4-2-5-11-22)15-16-35-25-14-8-9-21(18-25)17-23-19-32(31-27(23)29(33)34)24-12-6-3-7-13-24/h2-14,18-19H,15-17H2,1H3,(H,33,34)/f/h33H 3297.8222292965 -1575.548651 1-A 36270.0015 126 464 590 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.63488 -20.61007 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 7334.8289 63259.4323 64287.4571 1.00000 -0.00227 -0.00116 0.00218 0.99759 -0.06934 0.00131 0.06934 0.99759 1 0.01181 0.00137 0.00135 0.24605 0.02853 0.02807 4.45 10.55 18.27 33.66 41.44 48.68 60.05 67.53 87.66 102.75 117.14 126.67 143.10 168.56 195.50 200.55 219.38 269.09 293.03 304.76 320.36 339.03 371.58 374.64 397.00 412.09 452.17 483.94 509.12 528.09 533.55 551.33 629.17 652.46 658.45 670.89 705.98 730.64 758.53 794.26 799.97 823.70 845.96 901.67 905.56 926.74 968.01 973.55 976.35 1010.73 1024.62 1051.09 1070.62 1092.31 1101.59 1105.53 1106.58 1107.67 1133.99 1163.95 1191.39 1211.98 1234.70 1257.78 1266.19 1273.80 1282.40 1297.60 1364.60 1374.55 1384.97 1422.38 1436.66 1476.56 1491.70 1501.24 1526.84 1527.14 1529.13 1557.00 1559.44 1569.15 1570.40 1575.36 1585.18 1599.14 1619.65 1620.10 1624.66 1627.42 1633.44 1670.74 1689.31 1701.07 1703.37 1712.21 1722.92 1734.70 1748.10 1749.11 1762.38 1765.64 1773.69 1831.55 1850.29 1862.16 1870.90 1871.02 1905.75 1916.61 1923.82 1929.54 1933.61 1969.64 1973.44 2052.11 2058.85 2061.73 2082.81 2102.74 2106.03 2120.35 2127.99 2144.79 2157.26 2178.76 2244.63 2265.19 2267.09 2278.77 2324.70 2328.97 2336.31 2343.94 2347.17 2354.44 2358.20 2385.45 2393.41 2402.65 2419.54 2421.44 2526.55 2545.21 2567.23 2584.68 2588.57 2604.18 2611.84 2623.55 2685.99 2880.17 4618.04 4619.37 4641.14 4650.12 4691.11 4696.37 4725.42 4756.97 4766.80 4816.68 4834.26 4839.93 4848.19 4852.91 4855.71 4871.20 4873.10 4885.82 4894.96 4895.70 4901.18 4901.21 4920.10 4987.97 5840.75 0.523013 0.552030 0.552974 0.454131 -1575.025638 -1574.996621 -1574.995677 -1575.094520 3.315210D-04 MUNgauss RevisionA2.0 retrievium 17-Jul-2020 DUDE Cc2oc(c1ccccc1)nc2CCOc5cccc(Cc4cn(c3ccccc3)nc4C(O)=O)c5 457620 CHEMBL474149 RHF 6-31G(d) (6D,10F) C1 479.184507 |X|Y|Z| 178.675549 43.355017 49.652662 72.724767 32 6 7 8 27 3 2 |36.858105| |12.804762|36.858105| |7.836072|13.969147|73.516695| |5.376397|8.867634|25.405856|36.858105| |3.947555|5.377458|14.056522|12.964393|36.858105| |3.685933|4.575795|12.003921|7.654006|13.707271|36.858105| |2.911923|3.436581|8.052372|5.071992|7.927317|13.756687|36.858105| |2.556931|3.035388|6.734357|4.488033|6.864067|7.936927|13.756192|36.858105| |2.638980|3.237370|7.039136|5.092883|7.929339|6.870932|7.936745|13.729234|36.858105| |3.171543|4.130719|9.233570|7.715359|13.685871|7.918595|6.870196|7.936760|13.785900|36.858105| |5.154677|8.598208|15.522909|14.960739|7.727453|5.160607|3.916793|3.722577|4.410576|6.482006|53.358707| |7.271714|14.242792|15.583886|9.001876|5.344728|4.176409|3.247429|3.012869|3.372842|4.450956|18.636403|36.858105| |5.632805|7.396817|9.282444|5.383311|3.865188|3.164835|2.613411|2.497459|2.800424|3.513770|10.320147|12.728837|36.858105| |4.301350|5.290571|7.505343|4.536059|3.500551|2.882355|2.444337|2.384460|2.699566|3.328760|8.377529|7.613793|12.513586|36.858105| |3.540479|3.998230|5.838245|3.446674|2.811111|2.390128|2.081669|2.048451|2.294586|2.729392|5.933142|5.153580|8.096612|13.572776|73.516695| |2.910762|3.212457|4.914237|2.914377|2.479437|2.141110|1.902949|1.892985|2.114177|2.456517|4.814159|3.911692|5.230971|7.981113|25.096908|36.858105| |2.717268|3.027857|4.787342|2.876958|2.502545|2.164549|1.940008|1.944205|2.177441|2.510721|4.665239|3.616522|4.400620|6.710270|14.001306|13.753918|36.858105| |2.283285|2.486344|4.022487|2.399640|2.151618|1.898015|1.732878|1.748066|1.939624|2.180390|3.762233|2.863122|3.338880|4.507137|9.259022|7.970778|13.704464|36.858105| |2.082750|2.225183|3.590241|2.118169|1.908422|1.701330|1.562475|1.574683|1.734140|1.930376|3.290376|2.530059|2.978486|3.786390|8.220953|6.869093|7.899909|13.823766|36.858105| |2.166168|2.295063|3.641950|2.132134|1.897299|1.689291|1.542356|1.546424|1.700785|1.904386|3.339766|2.624245|3.199499|3.972747|9.403530|7.898280|6.818066|7.933959|13.651474|36.858105| |1.912467|1.992418|3.187638|1.850144|1.665888|1.502098|1.383001|1.386604|1.511974|1.671809|2.848181|2.231764|2.664170|3.102694|6.998043|5.001372|4.414807|5.018455|7.530285|12.524576|36.858105| |1.854130|1.890412|3.018815|1.724324|1.553454|1.417371|1.305470|1.298676|1.400635|1.541633|2.615131|2.072675|2.440076|2.781366|6.085208|4.134832|3.735543|4.175226|5.695102|7.520585|12.613271|36.858105| |1.713893|1.738856|2.806278|1.598430|1.453805|1.337150|1.238693|1.232222|1.321447|1.443018|2.394552|1.882249|2.163602|2.460247|5.165023|3.466363|3.332162|3.853192|5.082523|5.596921|7.412060|14.004639|36.858105| |1.679389|1.677121|2.702072|1.521779|1.383477|1.282637|1.187803|1.174505|1.250219|1.362218|2.258838|1.789800|2.041132|2.271300|4.691919|3.023741|2.878672|3.184273|3.884520|4.265654|5.196143|8.677509|14.060499|53.358707| |1.549026|1.537714|2.499557|1.402160|1.284841|1.201113|1.117882|1.103988|1.167743|1.263540|2.058150|1.621547|1.814769|2.000384|4.016217|2.540648|2.481622|2.738526|3.196763|3.326204|3.807840|5.321286|7.647224|18.282601|36.858105| |1.558564|1.527213|2.479210|1.377504|1.260732|1.185963|1.102350|1.082341|1.138083|1.230694|2.007279|1.591586|1.767970|1.924151|3.810876|2.355936|2.293905|2.464488|2.769686|2.881661|3.158858|4.178844|5.205298|10.700454|13.733166|36.858105| |1.431512|1.400153|2.293289|1.272598|1.173730|1.111356|1.038345|1.019446|1.066780|1.146327|1.838987|1.448124|1.585806|1.713910|3.333565|2.040046|2.014767|2.161017|2.377978|2.420251|2.606814|3.251496|3.938435|7.034014|7.966300|13.775683|36.858105| |1.325849|1.307242|2.157654|1.204566|1.118873|1.060040|0.995634|0.981917|1.027970|1.099251|1.738297|1.355552|1.476152|1.600348|3.097023|1.906130|1.906780|2.074122|2.287781|2.286695|2.475109|3.011132|3.712730|6.191253|6.877638|7.917611|13.738421|36.858105| |1.320733|1.314533|2.172098|1.221518|1.136091|1.071240|1.007392|0.998326|1.050026|1.122894|1.771894|1.374682|1.503989|1.644401|3.206394|2.001366|2.011653|2.230675|2.512566|2.492288|2.754472|3.367555|4.358007|7.019521|7.954215|6.868835|7.958666|13.766366|36.858105| |1.417395|1.416933|2.326452|1.312552|1.213715|1.136881|1.064916|1.056625|1.117270|1.201218|1.919782|1.494587|1.655624|1.826071|3.622054|2.295666|2.287763|2.567833|2.988461|3.005613|3.435638|4.439268|6.326766|10.675017|13.748299|7.914710|6.882096|7.928252|13.750693|36.858105| |1.776031|1.757793|2.804132|1.569152|1.415541|1.311596|1.208711|1.190155|1.265944|1.385564|2.334763|1.873256|2.160738|2.365960|4.954172|3.112940|2.847114|3.019183|3.604608|4.199082|5.110112|8.433041|8.624086|19.711175|8.023925|6.707918|4.535222|3.819375|4.026318|5.327881|53.358707| |1.897239|1.898435|3.006450|1.694129|1.517993|1.393521|1.279181|1.263019|1.353199|1.490731|2.553414|2.055305|2.423252|2.677899|5.819048|3.718704|3.264790|3.430983|4.239752|5.418163|7.164823|13.408023|8.765643|12.388024|5.528456|4.662463|3.491732|3.085691|3.305393|4.247628|19.845409|36.858105| |2.020814|2.007695|3.144548|1.762375|1.565984|1.435186|1.310810|1.289573|1.381678|1.529623|2.666774|2.175750|2.606431|2.790849|6.150652|3.715572|3.110068|3.097176|3.644155|4.755087|5.773377|7.320558|5.258730|7.395679|3.993402|3.673588|2.909372|2.573058|2.678892|3.240617|10.715433|12.885532|36.858105| |1.986102|1.933923|3.029595|1.676431|1.491861|1.380323|1.261181|1.233210|1.310550|1.445643|2.504827|2.055678|2.420296|2.522217|5.357486|3.118923|2.673247|2.632949|2.979227|3.643321|4.149055|5.138794|4.256622|6.528606|3.818003|3.753757|2.995525|2.584256|2.607939|3.064062|9.680848|8.114356|14.401038|73.516695| |2.104078|2.117509|3.303185|1.866076|1.650816|1.500696|1.367432|1.349628|1.455376|1.619226|2.856623|2.330929|2.847960|3.027472|6.868531|4.077541|3.277547|3.188639|3.731853|5.080267|6.061419|6.317995|4.464195|5.825086|3.287004|3.015974|2.477908|2.243318|2.350618|2.795678|7.379715|8.069167|15.974717|15.361927|73.516695| |2.524408|2.698673|4.178019|2.444956|2.123976|1.868057|1.682180|1.676596|1.853743|2.112045|3.922617|3.166380|4.096189|5.251232|14.594927|13.666620|7.911747|6.912249|7.956312|13.793878|7.555028|5.632364|4.297293|4.919873|2.899635|2.622638|2.222320|2.070277|2.200239|2.585892|5.146904|4.850611|4.824435|6.688695|9.773533|36.858105| |17.552555|8.938500|12.382801|4.854574|3.756821|3.634204|2.898380|2.518959|2.558208|3.019931|6.116163|5.777641|4.635258|3.577209|5.436310|2.555196|2.382102|2.038456|1.883876|1.966242|1.763497|1.713029|1.586309|2.124489|1.445853|1.457487|1.345173|1.248466|1.241837|1.327589|2.251222|1.760623|1.885829|3.321248|3.496011|2.267724|0.500000| |17.606783|8.977163|10.150723|4.461838|3.369679|3.102468|2.532176|2.279981|2.379369|2.831509|6.286344|6.739630|6.192022|4.637877|7.018863|3.180315|2.885767|2.410100|2.219762|2.346013|2.070700|2.019778|1.851256|2.479748|1.668323|1.682791|1.533190|1.409462|1.401816|1.512174|2.651668|2.091038|2.255042|3.957949|4.176698|2.776217|0.301083|0.500000| |17.552178|8.937080|12.381015|4.853128|3.756208|3.637513|2.900120|2.518850|2.556721|3.017408|6.113065|5.771966|4.631076|3.888122|5.736609|2.743181|2.627273|2.234010|2.026600|2.078316|1.836096|1.796481|1.680300|2.250536|1.538561|1.556995|1.438282|1.331987|1.321138|1.410108|2.364009|1.835046|1.928567|3.383340|3.523073|2.382023|0.301582|0.301085|0.500000| |4.157872|4.959905|13.602063|7.052740|8.912039|17.745094|8.918508|5.647309|4.953089|5.638706|6.524086|4.194881|3.155302|2.826634|4.183411|2.097646|2.104833|1.846004|1.662560|1.658558|1.479733|1.408032|1.329942|1.747413|1.204866|1.196445|1.122150|1.066407|1.072800|1.136416|1.793387|1.394613|1.440520|2.479953|2.666757|1.837640|0.116137|0.094146|0.116398|0.500000| |2.707063|3.069479|6.992668|4.123645|5.643215|8.930637|17.719267|8.912703|5.643284|4.950692|4.472772|2.846907|2.336743|2.189303|3.362362|1.739908|1.771700|1.597297|1.449815|1.431784|1.292977|1.228618|1.170757|1.535288|1.066642|1.055668|0.998319|0.957668|0.966172|1.017282|1.562110|1.208297|1.237248|2.127511|2.284467|1.552593|0.075877|0.065581|0.075953|0.215385|0.500000| |2.242988|2.594114|5.569036|3.580871|4.947217|5.645567|8.916249|17.715538|8.906557|5.646477|4.199636|2.576041|2.193078|2.113754|3.284167|1.726268|1.777241|1.618468|1.467162|1.437477|1.298137|1.218514|1.161016|1.507913|1.045366|1.024889|0.968915|0.936201|0.952022|1.004471|1.524096|1.184266|1.205855|2.053302|2.238121|1.544684|0.061709|0.056212|0.061707|0.124176|0.214863|0.500000| |2.343325|2.825313|5.880341|4.142529|5.643190|4.951103|5.644663|8.905030|17.719639|8.940162|5.213431|2.999635|2.585295|2.538946|3.906787|2.052968|2.125662|1.915248|1.717816|1.677806|1.496455|1.379162|1.302763|1.670968|1.146868|1.113101|1.044352|1.010383|1.035761|1.102249|1.685808|1.325072|1.348354|2.265428|2.528473|1.813416|0.063054|0.059738|0.063005|0.107529|0.124075|0.214723|0.500000| |3.113165|4.097800|8.508223|7.170678|8.932579|5.646659|4.952930|5.639791|8.902288|17.746972|9.884152|4.746304|3.871801|3.740652|5.412173|2.731649|2.791775|2.397419|2.109317|2.081700|1.811110|1.649868|1.534471|1.956684|1.324814|1.282602|1.189204|1.141067|1.170937|1.259178|1.989046|1.584356|1.625881|2.707966|3.081587|2.323935|0.081235|0.079037|0.081124|0.124254|0.107526|0.124014|0.214699|0.500000| |6.255678|6.935398|8.395834|4.487745|3.344226|2.862820|2.386521|2.254233|2.467129|3.003952|7.618858|8.931514|17.578365|8.917863|13.178034|4.928589|4.044985|3.154899|2.886541|3.161205|2.678802|2.511893|2.219970|2.892996|1.886753|1.856206|1.657400|1.527980|1.545915|1.702273|3.110129|2.556782|2.801387|4.698026|5.409181|4.058920|0.140798|0.218232|0.139438|0.081223|0.060325|0.055578|0.063385|0.089324|0.500000| |4.622918|5.841337|8.065035|4.873043|3.668358|2.995478|2.517979|2.446160|2.772698|3.453698|9.280571|8.975224|17.559665|8.938614|13.177411|4.937939|4.057777|3.163888|2.892615|3.164873|2.679112|2.412257|2.117237|2.705134|1.759474|1.702701|1.527198|1.427674|1.461527|1.612315|2.872767|2.390130|2.605573|4.271168|5.177286|4.061908|0.113567|0.138500|0.106283|0.081717|0.062468|0.059979|0.072043|0.107885|0.303032|0.500000| |3.771545|4.799553|7.358067|4.781352|3.790367|3.029183|2.589155|2.579903|3.002172|3.759288|9.202716|6.930098|8.850979|17.578909|16.496522|7.073504|6.791913|4.604758|3.756184|3.797000|2.968433|2.610331|2.332269|2.899050|1.888277|1.802572|1.618129|1.527273|1.579203|1.748184|2.974948|2.462858|2.528823|4.046984|4.881468|4.778694|0.089558|0.107750|0.096130|0.080342|0.063569|0.063247|0.079174|0.122331|0.174223|0.213880|0.500000| |4.516738|5.353048|7.605660|4.413215|3.434211|2.891534|2.446298|2.356780|2.623232|3.196422|7.566215|6.902615|8.834746|17.538995|16.515851|7.063370|6.762175|4.589791|3.749131|3.794512|2.969493|2.740136|2.474365|3.137291|2.050573|1.990173|1.777579|1.653786|1.688975|1.866493|3.243870|2.648272|2.707466|4.405870|5.073879|4.777770|0.101212|0.134922|0.118739|0.079866|0.061305|0.058129|0.068040|0.096928|0.212753|0.174190|0.300680|0.500000| |2.914182|3.331508|5.326741|3.249994|2.814791|2.405638|2.140581|2.144708|2.418817|2.823149|5.301905|4.016001|4.669333|7.424755|12.476971|8.863699|17.763936|8.924828|5.643781|4.927209|3.536132|3.103544|2.843258|3.431998|2.228705|2.093560|1.867628|1.772288|1.852958|2.071366|3.397560|2.791461|2.693493|4.230658|5.013676|5.620702|0.070140|0.084305|0.078976|0.064609|0.053901|0.054048|0.065188|0.087533|0.115201|0.115680|0.226587|0.224611|0.500000| |2.147933|2.340294|3.859808|2.310255|2.108345|1.872362|1.724693|1.748160|1.935054|2.151271|3.559780|2.654335|2.978300|3.904708|7.460238|5.667374|8.941884|17.706781|8.948490|5.641951|4.090387|3.559919|3.450333|3.949301|2.577268|2.332632|2.083559|2.025302|2.179976|2.468745|3.680592|2.974791|2.676128|4.139094|4.834033|4.971526|0.053459|0.062104|0.059072|0.050414|0.044246|0.045166|0.053321|0.065335|0.077852|0.078102|0.113642|0.113188|0.216749|0.500000| |1.871140|1.983925|3.241430|1.907414|1.743265|1.569532|1.455028|1.470665|1.610314|1.770046|2.917141|2.220610|2.551039|3.129903|6.518356|4.948790|5.631186|8.943296|17.701175|8.869003|6.979705|5.611227|5.494921|5.496400|3.379833|2.852091|2.467980|2.422989|2.723137|3.268624|4.854677|4.051744|3.367236|4.961882|5.991010|5.649297|0.047421|0.055026|0.050900|0.042605|0.037693|0.038322|0.044529|0.053362|0.068998|0.069154|0.087019|0.086831|0.124314|0.215951|0.500000| |1.918483|1.998913|3.188723|1.851577|1.663831|1.497938|1.378112|1.382091|1.508822|1.670462|2.859946|2.246806|2.706853|3.069988|7.000010|4.729818|3.975733|4.225305|5.663159|8.893866|17.640706|8.960484|5.655571|6.055492|3.359424|2.868365|2.393746|2.264588|2.485844|3.033732|6.377156|6.703592|6.315001|7.813174|13.368263|7.174522|0.049471|0.057879|0.050665|0.040982|0.035769|0.035927|0.041495|0.050362|0.075850|0.077214|0.081379|0.079789|0.090500|0.097196|0.143417|0.500000| |1.753351|1.835171|2.975953|1.737733|1.584294|1.432550|1.329347|1.340909|1.462574|1.603693|2.657056|2.047301|2.392944|2.773473|6.014601|4.229324|3.986203|4.752339|7.166319|8.923974|17.553659|8.990160|6.951020|6.479635|3.658642|2.982251|2.515392|2.451429|2.789133|3.476964|5.981977|5.544875|4.506551|6.158549|8.275964|5.707083|0.045133|0.052144|0.046970|0.039042|0.034564|0.035033|0.040468|0.048260|0.066010|0.067068|0.075474|0.074009|0.090806|0.112495|0.213928|0.303641|0.500000| |1.632613|1.667222|2.715794|1.555194|1.425550|1.312518|1.221780|1.220325|1.309325|1.422937|2.322046|1.804162|2.048529|2.346050|4.832026|3.268099|3.277115|3.947776|5.230587|5.186492|6.368532|8.619926|17.827161|12.238036|6.825751|4.691085|3.777134|3.749839|4.607142|6.690446|8.078586|5.895616|4.087888|6.109549|6.490754|3.903721|0.041984|0.048537|0.044668|0.036144|0.032086|0.032023|0.035988|0.042037|0.057704|0.055616|0.062728|0.065844|0.078324|0.101371|0.172158|0.134940|0.188092|0.500000| |1.666319|1.618729|2.607539|1.439799|1.309088|1.231238|1.139043|1.113655|1.170067|1.270547|2.099824|1.681646|1.878053|2.031153|4.038701|2.468045|2.364540|2.488380|2.769020|2.940702|3.179617|4.213394|4.885014|9.855052|8.940368|17.767529|8.888878|5.631529|4.953828|5.647057|10.106797|5.033146|4.085367|7.745930|5.816342|2.746046|0.043224|0.050388|0.046200|0.034628|0.030295|0.029215|0.031671|0.036744|0.055383|0.050049|0.052262|0.058500|0.059958|0.064689|0.077267|0.081268|0.081179|0.117515|0.500000| |1.420861|1.378946|2.260146|1.247076|1.150639|1.094510|1.022532|1.000394|1.042552|1.119045|1.792646|1.415141|1.540188|1.649865|3.180201|1.920451|1.892884|2.001177|2.165033|2.207063|2.339787|2.852648|3.312820|5.701862|5.664049|8.956852|17.721566|8.910042|5.653831|4.957064|5.335007|3.106934|2.689579|5.037552|4.104512|2.066061|0.037185|0.042266|0.039805|0.030807|0.027385|0.026424|0.028285|0.032119|0.044912|0.041090|0.043152|0.047699|0.049197|0.053715|0.061664|0.060426|0.062335|0.087849|0.214859|0.500000| |1.250768|1.231408|2.042830|1.139173|1.062965|1.011390|0.953011|0.939649|0.980436|1.044281|1.635445|1.270875|1.372929|1.480307|2.836921|1.732181|1.740434|1.882149|2.047162|2.033787|2.175942|2.575358|3.079442|4.926852|4.954938|5.637738|8.902490|17.724165|8.913506|5.641099|4.293361|2.630976|2.254753|4.050952|3.546482|1.859921|0.032823|0.036773|0.035004|0.028283|0.025531|0.024946|0.026779|0.030018|0.039408|0.036890|0.039378|0.042530|0.045352|0.051462|0.060068|0.055816|0.060133|0.087069|0.123875|0.214566|0.500000| |1.242875|1.242039|2.064326|1.164773|1.089390|1.028655|0.971370|0.965463|1.014998|1.080874|1.685758|1.299012|1.413159|1.543410|2.990088|1.863759|1.887880|2.101683|2.353284|2.306565|2.538058|2.996193|3.778737|5.691042|5.658986|4.950203|5.651275|8.913264|17.721431|8.943917|4.581729|2.881904|2.384876|4.103288|3.793143|2.034796|0.032540|0.036453|0.034544|0.028554|0.025901|0.025643|0.027890|0.031297|0.040117|0.038258|0.041481|0.043923|0.048569|0.057653|0.071538|0.063966|0.072706|0.114304|0.107545|0.124149|0.214589|0.500000| |1.394427|1.405459|2.313681|1.313989|1.218132|1.137186|1.067323|1.063786|1.128972|1.212644|1.928652|1.492257|1.656238|1.835971|3.657344|2.341681|2.343785|2.674638|3.179542|3.173110|3.723577|4.700910|6.868034|9.758164|8.901296|5.634383|4.958808|5.646025|8.921594|17.737139|6.692908|4.207446|3.200423|5.224579|5.013768|2.663365|0.036292|0.041204|0.038397|0.031449|0.028265|0.028112|0.031050|0.035442|0.046946|0.045065|0.049213|0.051740|0.058575|0.071510|0.099276|0.090311|0.108861|0.223531|0.124205|0.107630|0.124167|0.216023|0.500000| 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