Version2.0 2019-11-28T03:55:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)S(=O)(=O)c1ccc(c(c1)N2CC[NH2+][C@@H](C2)Cc3ccccc3)NS(=O)(=O)Cc4ccccc4 C39482827 RHF 6-31G(d) (6D,7F) CC(C)S(=O)(=O)c1ccc(c(c1)N2CC[NH2+][C@@H](C2)Cc3ccccc3)NS(=O)(=O)Cc4ccccc4 C01[X(C27H34N3O4S2)] 204 C1 616 CC(S(=O)(=O)c1ccc(c(c1)N1CC[NH2+][C@@H](C1)Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C CC(S(=O)(=O)c1ccc(c(c1)N1CC[NH2+][C@@H](C1)Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C CC(C)[S](=O)(=O)c1ccc(N[S](=O)(=O)Cc2ccccc2)c(c1)N3CC[NH2+][C@@H](C3)Cc4ccccc4 InChIKey=WZJOWGNELMLZAI-XMMPIXPASA-O InChI=1S/C27H33N3O4S2/c1-21(2)36(33,34)25-13-14-26(29-35(31,32)20-23-11-7-4-8-12-23)27(18-25)30-16-15-28-24(19-30)17-22-9-5-3-6-10-22/h3-14,18,21,24,28-29H,15-17,19-20H2,1-2H3/p+1/t24-/m1/s1 InChI=1/C27H33N3O4S2/c1-21(2)36(33,34)25-13-14-26(29-35(31,32)20-23-11-7-4-8-12-23)27(18-25)30-16-15-28-24(19-30)17-22-9-5-3-6-10-22/h3-14,18,21,24,28-29H,15-17,19-20H2,1-2H3/p+1/t24-/m1/s1/fC27H34N3O4S2/h28H/q+1 CC(C)S(=O)(=O)c1ccc(c(c1)N2CC[NH2+][C@@H](C2)Cc3ccccc3)NS(=O)(=O)Cc4ccccc4 C01[X(C27H34N3O4S2)] 204 C01 616 CC(S(=O)(=O)c1ccc(c(c1)N1CC[NH2+][C@@H](C1)Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C CC([S@](=O)(c1ccc(c(c1)N1CC[NH2][C@@H](C1)Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)O)C CC(C)[S](O)(=O)c1ccc(N[S](=O)(=O)Cc2ccccc2)c(c1)N3CC[NH2][C@@H](C3)Cc4ccccc4 InChIKey=MTMALSZFQSSMHI-GNTGNPKTSA-N InChI=1S/C26H33N5O3S2/c1-4-14-31-23-11-10-21(36(33,34)30-15-12-18(3)13-16-30)17-22(23)24(25(31)32)28-29-26(35)27-20-8-6-19(5-2)7-9-20/h4,6-11,17-18,26-27,29,35H,1,5,12-16H2,2-3H3/b28-24+/t26-/m0/s1 InChI=1/C26H33N5O3S2/c1-4-14-31-23-11-10-21(36(33,34)30-15-12-18(3)13-16-30)17-22(23)24(25(31)32)28-29-26(35)27-20-8-6-19(5-2)7-9-20/h4,6-11,17-18,26-27,29,35H,1,5,12-16H2,2-3H3/b28-24+/t26-/m0/s1 4385.1002942204 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 18763.4045 28473.7784 40898.5441 0.99997 -0.00594 0.00474 0.00599 0.99991 -0.01170 -0.00467 0.01173 0.99992 1 0.00462 0.00304 0.00212 0.09618 0.06338 0.04413 16.23 20.70 30.82 33.58 35.24 44.70 65.20 68.46 73.39 85.55 90.75 104.56 112.14 125.34 146.85 195.82 232.86 257.43 289.14 310.90 326.25 333.39 347.42 352.77 361.17 377.47 395.11 408.27 426.21 428.96 478.06 504.44 533.12 545.42 550.20 573.63 591.82 620.49 647.05 652.52 655.19 677.12 700.68 711.89 717.42 749.74 774.13 776.61 815.09 820.02 826.48 870.22 917.58 935.46 962.01 977.05 977.67 978.58 981.43 1006.42 1072.19 1105.90 1126.04 1130.73 1147.01 1181.82 1192.04 1222.27 1254.10 1263.31 1278.73 1290.74 1333.77 1361.66 1366.53 1367.61 1373.84 1380.14 1387.00 1430.91 1440.82 1463.96 1483.13 1498.76 1501.36 1507.58 1514.99 1520.35 1543.26 1567.36 1571.58 1587.79 1590.20 1599.76 1605.82 1625.05 1626.59 1636.58 1641.97 1648.46 1672.78 1695.27 1697.04 1708.89 1711.33 1734.76 1740.03 1745.39 1747.92 1760.01 1783.71 1804.03 1815.41 1843.08 1847.52 1855.39 1875.92 1878.38 1879.25 1882.94 1885.00 1891.87 1916.57 1929.22 1954.87 1959.15 1987.44 2031.26 2039.58 2047.62 2057.40 2071.20 2086.16 2098.58 2108.46 2119.62 2134.45 2138.53 2142.48 2178.31 2204.27 2216.97 2224.61 2238.89 2254.07 2258.69 2268.27 2280.23 2298.61 2303.33 2332.07 2336.14 2345.04 2347.19 2353.68 2357.75 2363.55 2367.50 2376.53 2385.89 2402.42 2404.82 2411.89 2542.07 2564.62 2573.31 2595.31 2598.14 2603.56 2622.38 4518.31 4527.63 4635.12 4635.76 4647.06 4679.45 4692.77 4701.94 4725.82 4728.56 4745.08 4749.20 4759.50 4762.31 4779.34 4785.07 4811.06 4813.32 4821.79 4822.44 4840.09 4844.98 4859.34 4863.05 4874.74 4877.68 4889.59 4895.88 4899.08 4924.90 4929.45 5251.05 5340.20 5400.52 0.628591 0.660610 0.661554 0.559066 -2299.084586 -2299.052566 -2299.051622 -2299.154111 3.437498D-04 MUNgauss RevisionA1.9 retrievium 28-Nov-2019 DUDE CC(C)S(=O)(=O)c1ccc(c(c1)N2CC[NH2+][C@@H](C2)Cc3ccccc3)NS(=O)(=O)Cc4ccccc4 C39482827 RHF 6-31G(d) (6D,10F) C1 528.199043 |X|Y|Z| 117.752164 92.326647 43.693964 78.025963 28 6 7 16 24 3 1 |36.858105| |12.471802|36.858105| |7.489812|12.422744|36.858105| |6.902007|10.582005|7.056603|388.023441| |4.819748|7.264263|6.254969|94.395966|73.516695| |6.206320|7.218502|5.939794|94.042095|13.566099|73.516695| |5.766199|6.654816|4.531365|75.916414|13.055842|13.078953|36.858105| |4.653646|5.448360|3.938870|49.172473|11.166537|8.768059|13.784003|36.858105| |3.755518|4.018728|3.096012|33.567538|7.759680|6.826184|7.999171|13.763954|36.858105| |3.527559|3.545870|2.785769|29.804522|6.591752|6.615356|6.897102|7.904528|13.730402|36.858105| |3.936982|3.817916|2.972644|33.595000|6.925600|7.994034|7.923921|6.808725|7.889399|13.608123|36.858105| |5.065749|5.017361|3.710598|49.610255|9.048711|11.842597|13.764599|7.911398|6.892876|7.940468|13.735417|36.858105| |3.308220|3.106261|2.537422|26.176276|5.535514|6.693190|5.124868|4.508927|5.123437|7.780904|13.344345|7.768872|53.358707| |3.185191|2.863555|2.360196|22.444200|4.755642|5.713044|4.143104|3.783479|4.303280|6.031316|7.844758|5.612960|17.877999|36.858105| |2.565666|2.344146|2.002392|18.251485|3.995400|4.713233|3.171980|2.963894|3.338689|4.377768|5.124543|4.017908|10.682141|12.540762|36.858105| |2.457788|2.259187|1.964694|17.907899|3.925230|4.797609|2.992708|2.712546|2.932025|3.689493|4.501523|3.810751|9.198566|7.739138|12.696622|53.358707| |2.569025|2.315497|2.021205|18.099782|3.915421|4.937084|2.953852|2.629817|2.774364|3.402162|4.205921|3.752396|8.060339|7.015853|9.211505|25.662369|0.500000| |2.176085|2.017913|1.781254|15.857058|3.536400|4.228899|2.596333|2.394072|2.586634|3.172568|3.692249|3.188310|6.946336|5.684219|9.126284|25.638221|0.329080|0.500000| |2.531693|2.391445|2.079532|19.832264|4.368704|5.399442|3.334702|2.962419|3.163938|4.000940|5.100929|4.358505|10.650712|6.564494|7.566117|17.140062|0.255110|0.255622|36.858105| |2.335397|2.247366|1.960146|18.674709|4.212714|4.948377|3.179243|2.922734|3.207475|4.092259|4.903014|4.024785|9.796121|5.892760|7.045991|12.524030|0.181786|0.225405|17.627722|0.500000| |3.131515|2.952210|2.487005|25.475187|5.393806|7.020123|4.514789|3.781827|3.959958|5.174697|7.785000|6.640832|17.895401|7.927262|6.608268|10.562699|0.196028|0.158797|12.497254|0.247113|36.858105| |2.304717|2.191005|1.958790|18.104815|4.042340|5.074792|2.864532|2.529994|2.611779|3.112491|3.816730|3.566689|6.779441|4.420767|4.949761|10.433922|0.199437|0.200251|12.435803|0.244650|7.415074|36.858105| |1.967430|1.872498|1.697409|15.071992|3.429531|4.136489|2.354971|2.142166|2.234263|2.618615|3.043040|2.816909|5.213276|3.652151|4.388298|8.852942|0.166824|0.210404|7.496080|0.189102|4.866271|12.557929|36.858105| |1.789042|1.728200|1.572606|13.924866|3.229771|3.747424|2.185693|2.032595|2.146008|2.499777|2.805450|2.559837|4.686842|3.242959|3.896437|7.000414|0.125359|0.168435|5.927878|0.177970|4.104408|7.537908|13.670451|36.858105| |1.596183|1.540915|1.414876|12.205591|2.853981|3.256329|1.893934|1.783647|1.882997|2.157647|2.363635|2.171721|3.837214|2.744710|3.297938|5.557896|0.102904|0.136063|4.261571|0.126122|3.201746|5.009719|7.898110|13.767839|36.858105| |1.543670|1.475757|1.362251|11.519610|2.679887|3.086320|1.767063|1.658525|1.738005|1.975813|2.168783|2.017331|3.494641|2.575270|3.095010|5.210608|0.101066|0.128781|3.743956|0.104867|2.897315|4.423667|6.828990|7.930529|13.726059|36.858105| |1.652043|1.560920|1.439542|12.130834|2.787994|3.289191|1.850863|1.714673|1.782093|2.030732|2.270250|2.133470|3.692234|2.762533|3.320620|5.844735|0.119144|0.144737|4.053715|0.106900|3.126484|5.003529|7.890374|6.877060|7.945984|13.768532|36.858105| |1.869684|1.757387|1.607366|13.821525|3.136555|3.799994|2.121455|1.933222|2.001088|2.309404|2.654818|2.499557|4.433584|3.275076|3.937370|7.612653|0.159067|0.186087|5.412332|0.133546|3.953958|7.536754|13.700791|7.949337|6.883558|7.934971|13.722662|36.858105| |2.855205|2.823078|2.313466|22.665044|5.185276|5.207260|4.542415|5.116251|7.766051|13.304084|7.806911|5.142865|9.234100|6.000994|4.773291|5.150094|0.093715|0.092533|3.935026|0.117573|4.581128|3.016634|2.633020|2.574526|2.247400|2.044962|2.071885|2.320945|53.358707| |2.354298|2.394634|2.032030|19.380261|4.658043|4.478131|3.617433|4.125694|5.720402|7.042044|5.109254|3.877090|6.494658|4.178948|3.786490|4.368535|0.078846|0.082087|3.433434|0.107722|3.727491|2.750347|2.474931|2.519006|2.226641|1.991783|1.968263|2.162551|15.487109|388.023441| |2.103823|2.105846|1.812511|16.450585|3.948550|3.840523|2.942712|3.297623|4.315071|5.048319|3.971502|3.137474|5.342290|3.767733|3.609608|4.074534|0.073714|0.078519|3.044155|0.095035|3.153356|2.480180|2.307804|2.371276|2.149555|1.940997|1.904475|2.054346|10.631720|94.787642|73.516695| |2.361408|2.483502|2.117361|20.336616|5.077732|4.566642|3.759340|4.553895|6.282582|6.343058|4.572544|3.758025|5.400298|3.416831|3.047648|3.672713|0.068005|0.069264|2.938948|0.089826|3.265679|2.452263|2.198119|2.232364|1.985865|1.785918|1.766919|1.934661|10.169241|94.924100|13.631418|73.516695| |2.210806|2.241740|1.934317|18.661396|4.474843|4.494954|3.370140|3.548084|4.406167|5.571099|4.933437|3.798048|7.043775|4.233674|4.116087|5.044438|0.087899|0.095985|4.246170|0.144947|4.355817|3.350920|3.006983|3.159515|2.713812|2.342217|2.276423|2.522169|9.618089|75.876727|12.826794|12.956724|36.858105| |1.909451|1.957291|1.728462|16.131424|3.973822|3.898013|2.768877|2.925884|3.461975|3.970434|3.597621|2.998753|5.053975|3.192680|3.210485|4.104553|0.073011|0.080991|3.414657|0.114550|3.374205|2.897761|2.706046|2.949228|2.609205|2.231531|2.119481|2.290967|6.373733|49.514801|10.387132|10.769125|12.615849|36.858105| |1.861094|1.944380|1.736643|16.245733|4.106469|3.912331|2.723328|2.883426|3.291702|3.573449|3.280133|2.866719|4.434719|2.765491|2.720225|3.579881|0.065146|0.070455|3.030905|0.098270|3.068717|2.678849|2.482460|2.692271|2.390689|2.055077|1.956233|2.112284|5.295723|38.024338|7.836587|9.886706|7.574759|13.717676|36.858105| |1.646187|1.720486|1.561995|14.136092|3.608969|3.420326|2.293454|2.418319|2.691861|2.847389|2.649132|2.380502|3.601699|2.319369|2.316882|3.082986|0.056791|0.061687|2.557144|0.081404|2.542318|2.336710|2.223293|2.441534|2.228570|1.924701|1.811728|1.921340|4.182280|28.502486|6.401490|7.479243|5.027414|7.922857|13.761489|36.858105| |1.515656|1.565464|1.426081|12.618972|3.188456|3.068198|2.035827|2.139508|2.390123|2.550729|2.379425|2.126829|3.300763|2.188948|2.238093|2.962981|0.054477|0.060240|2.395789|0.076416|2.323670|2.197800|2.146788|2.391575|2.236436|1.933513|1.796887|1.874941|3.842351|25.922584|6.258968|6.464489|4.443430|6.859367|7.940230|13.748838|36.858105| |1.540892|1.571706|1.421148|12.560708|3.124313|3.059914|2.053859|2.156152|2.452449|2.682860|2.491196|2.177956|3.530896|2.381605|2.486181|3.237486|0.058782|0.066372|2.569721|0.083264|2.446065|2.311641|2.284167|2.563376|2.409695|2.076348|1.919225|1.994727|4.198405|28.814231|7.351684|6.695256|5.028084|7.921274|6.876238|7.939231|13.747965|36.858105| |1.712779|1.736810|1.548840|13.971130|3.430517|3.397073|2.345411|2.466290|2.879945|3.263168|2.993643|2.531591|4.304697|2.872934|3.006677|3.828803|0.068207|0.077703|3.052279|0.101611|2.903875|2.641598|2.568451|2.858897|2.619069|2.243203|2.093897|2.211268|5.328219|38.768274|9.811948|8.257007|7.577440|13.712338|7.938499|6.877091|7.940832|13.762055|36.858105| |17.569702|8.727340|5.448398|45.357322|7.965167|10.074563|6.585423|5.290006|4.375951|4.191360|4.735872|6.054032|5.276254|3.792829|2.935771|3.733914|0.079428|0.066584|2.792967|0.071399|3.520469|2.472970|2.098966|1.904465|1.691176|1.630982|1.746147|1.985032|4.519425|18.742822|4.172426|4.626587|2.439494|2.067457|1.987664|1.740873|1.605274|1.645825|1.849521|0.500000| |17.593012|8.806382|6.817593|45.433324|7.935082|12.279385|5.129718|4.010372|3.331729|3.249459|3.761784|4.879430|4.474860|3.158988|2.580197|3.451893|0.074808|0.062293|2.623355|0.066166|3.245346|2.433799|2.061689|1.851823|1.647411|1.601051|1.728883|1.970894|3.633982|15.818409|3.541314|3.928102|2.143205|1.858224|1.813269|1.608608|1.482985|1.506675|1.670837|0.300201|0.500000| |17.574658|8.905847|6.890488|36.523155|7.131581|8.290114|4.471462|3.917515|3.287463|3.075280|3.315993|3.998681|3.899427|2.835754|2.336183|3.028894|0.064681|0.055386|2.253348|0.058156|2.703004|2.066719|1.796913|1.642771|1.481594|1.441906|1.541114|1.725805|3.505211|15.304219|3.480950|3.839055|2.004827|1.751323|1.705259|1.522969|1.412802|1.438217|1.588673|0.302385|0.301198|0.500000| |8.818279|17.566990|8.852191|58.297027|12.178422|9.695630|6.480509|6.109488|4.402112|3.679193|3.747890|4.679457|4.084705|2.786111|2.282505|2.940726|0.060830|0.053861|2.271258|0.060156|2.770200|2.058404|1.778089|1.658805|1.486215|1.419555|1.490644|1.665700|3.991343|17.725980|3.903050|4.668855|2.270712|1.985921|1.972587|1.745762|1.588830|1.595392|1.762853|0.211291|0.172960|0.212075|0.500000| |6.809318|8.778695|17.583866|46.297559|9.897616|11.613807|4.182592|3.513973|2.834665|2.630242|2.878833|3.613117|3.421863|2.335223|1.998557|2.713792|0.057462|0.050242|2.119571|0.054979|2.529513|2.027905|1.750313|1.609487|1.445764|1.396762|1.484340|1.663952|2.997178|13.799166|3.082417|3.557183|1.882755|1.686172|1.694678|1.527745|1.396633|1.391417|1.513976|0.139129|0.202570|0.169552|0.173192|0.500000| |5.464015|8.753911|17.619794|47.168459|12.674008|9.515979|4.287226|3.879110|3.033382|2.681982|2.806253|3.445893|3.253986|2.198150|1.884516|2.520328|0.052428|0.046912|1.977400|0.052334|2.344887|1.869282|1.627651|1.522313|1.372134|1.315075|1.379902|1.533566|3.047750|14.266376|3.170219|3.778130|1.910357|1.725113|1.753619|1.584113|1.438858|1.422646|1.541575|0.122156|0.139575|0.141073|0.213443|0.300519|0.500000| |6.896384|8.895075|17.575502|36.979432|8.413373|8.085074|3.818129|3.462902|2.818451|2.546984|2.677261|3.225089|3.158640|2.207590|1.887852|2.504569|0.052723|0.046595|1.917180|0.050301|2.255975|1.806601|1.584465|1.470671|1.333385|1.290939|1.364540|1.513388|2.936409|13.497634|3.052591|3.499467|1.792107|1.608761|1.608163|1.455696|1.339539|1.339547|1.455440|0.140960|0.169826|0.208280|0.212829|0.301073|0.301094|0.500000| |4.413870|5.573483|4.164466|46.693005|12.271439|8.007395|8.899433|17.748030|8.914053|5.633794|4.921968|5.632566|4.895142|3.128456|2.543589|3.203069|0.063726|0.058606|2.547950|0.070114|3.136650|2.231861|1.921179|1.835779|1.629212|1.521188|1.567198|1.749191|5.652088|25.517142|5.262402|7.301134|3.087617|2.650211|2.664406|2.283970|2.023408|2.016867|2.264411|0.131624|0.104204|0.106739|0.188554|0.099717|0.118525|0.102099|0.500000| |3.241383|3.485215|2.789529|27.715828|6.752333|5.712547|5.674295|8.928439|17.765699|8.960625|5.635800|4.966456|5.671666|3.678347|2.993236|3.565232|0.068615|0.065437|2.782924|0.079613|3.319317|2.332789|2.042125|1.989578|1.769099|1.633980|1.661183|1.840453|9.745933|42.841439|8.281908|13.021940|4.251326|3.467282|3.309302|2.738849|2.444726|2.506295|2.920752|0.102304|0.079990|0.081480|0.108342|0.070587|0.077044|0.071846|0.214853|0.500000| |5.172727|4.898417|3.764184|48.154563|8.505336|14.163028|9.012933|5.665001|4.967889|5.630345|8.864237|17.778817|9.597902|5.330437|3.965449|5.428019|0.112891|0.091981|4.636367|0.113150|7.328355|3.938545|3.018367|2.669921|2.248009|2.104486|2.259906|2.691969|5.655779|23.391116|4.886561|5.618735|3.365041|2.730482|2.625986|2.217367|1.995142|2.038643|2.342529|0.164176|0.150265|0.111911|0.119645|0.106289|0.095385|0.090239|0.124626|0.107847|0.500000| |3.541429|3.047627|2.503033|23.235871|4.799078|6.046924|4.131662|3.636376|3.912827|5.058897|6.684880|5.574252|12.250766|17.424379|8.842093|9.368687|0.203164|0.143130|5.720258|0.134533|7.077212|4.221442|3.475252|3.000704|2.570232|2.469513|2.710439|3.233354|6.409923|24.466463|5.587194|5.246972|3.442657|2.718306|2.421713|2.069146|1.954301|2.099118|2.470230|0.118831|0.099331|0.087346|0.080908|0.069386|0.063669|0.065308|0.084526|0.092814|0.156915|0.500000| |3.147748|2.844245|2.327737|21.729618|4.666613|5.324012|4.082509|3.945456|4.723867|6.724241|7.376077|5.176246|12.462015|17.673039|9.014816|7.665870|0.143267|0.127119|4.927676|0.132043|5.712173|3.575337|3.085337|2.835839|2.464683|2.317888|2.445262|2.808142|9.949168|33.007775|7.643180|6.584809|4.288368|3.218244|2.758907|2.316135|2.198387|2.409171|2.920311|0.105485|0.084245|0.079045|0.078776|0.062962|0.060420|0.061052|0.090741|0.114301|0.128810|0.302059|0.500000| |2.434439|2.195828|1.893099|16.621516|3.651515|4.280463|2.815338|2.656561|2.958611|3.713021|4.172133|3.440436|7.670887|8.769196|17.624350|12.353484|0.225320|0.219546|5.559224|0.143893|4.961133|4.156884|3.905738|3.480204|3.079862|2.994353|3.248811|3.732298|5.520199|23.394043|5.800621|4.798610|3.436979|2.794013|2.394351|2.082568|2.038159|2.266394|2.686772|0.077092|0.068013|0.062617|0.059554|0.052484|0.049317|0.050138|0.064420|0.075046|0.094991|0.214508|0.211014|0.500000| |2.350667|2.197739|1.888209|17.249935|3.857649|4.384835|3.015211|2.902008|3.357434|4.435691|4.853663|3.718032|9.597681|8.844876|17.648707|12.414413|0.180965|0.223116|6.887652|0.211013|5.790259|4.593422|4.242371|4.030716|3.432075|3.123140|3.215295|3.694160|7.131275|30.969358|7.543104|5.956623|4.922083|3.752656|3.053586|2.574907|2.512294|2.858060|3.561766|0.074020|0.064987|0.059728|0.060131|0.052039|0.049912|0.049441|0.069553|0.085289|0.099143|0.173297|0.217112|0.299632|0.500000| |3.071885|3.011187|2.558798|27.338977|5.902363|7.616968|4.787238|3.957910|4.038778|5.069227|7.328157|6.845153|12.485306|5.712632|4.936624|7.653745|0.143696|0.127400|8.970293|0.214979|17.621628|6.799248|4.514583|3.972393|3.089785|2.748345|2.906182|3.606981|5.914316|26.524570|5.454019|6.032212|4.503632|3.552985|3.345505|2.741018|2.446968|2.522580|2.969854|0.093690|0.088354|0.073168|0.078259|0.072477|0.067974|0.063590|0.091499|0.093762|0.209545|0.144194|0.127724|0.108791|0.129430|0.500000| |3.446438|3.144173|2.652746|26.687110|5.468672|7.733240|4.485564|3.613328|3.618992|4.474225|6.587234|6.565874|12.182245|7.063594|5.779134|9.467935|0.206548|0.144835|8.874910|0.174164|17.429984|6.880882|4.574106|3.704669|2.968226|2.777388|3.087346|3.949130|5.283447|22.449775|4.871194|5.049383|3.506356|2.831485|2.625769|2.229729|2.052816|2.145061|2.490586|0.107202|0.102501|0.081825|0.079986|0.076183|0.068310|0.066769|0.084318|0.084470|0.231666|0.209668|0.143624|0.130276|0.133394|0.302293|0.500000| |2.273918|2.208614|1.988092|18.682238|4.232902|5.268515|2.921974|2.574863|2.629192|3.083697|3.749545|3.585257|6.305359|3.888895|4.118574|7.614742|0.144993|0.146517|8.987452|0.214821|6.815963|17.563050|8.854074|6.902370|4.651273|3.967003|4.247922|5.765974|4.006587|19.564315|4.335026|4.451639|3.420789|3.013994|2.861660|2.492566|2.305816|2.380931|2.696552|0.067027|0.066627|0.056387|0.057563|0.057294|0.053199|0.050530|0.063380|0.065239|0.109852|0.102381|0.090049|0.096734|0.110228|0.204176|0.170602|0.500000| |2.435958|2.280181|2.048199|18.665190|4.102125|5.369631|2.879867|2.494725|2.522345|2.957427|3.676522|3.587582|6.324811|4.268588|4.567169|9.301389|0.208074|0.171990|8.841512|0.173355|6.897819|17.537987|8.862991|5.592251|4.183664|3.972751|4.753591|7.254637|3.814305|17.823701|4.036322|4.029979|2.927322|2.540422|2.378014|2.093529|1.968746|2.056148|2.323884|0.072152|0.072795|0.060557|0.058734|0.059580|0.053790|0.052480|0.061346|0.062282|0.114363|0.120286|0.095623|0.110650|0.112490|0.171716|0.210461|0.304406|0.500000| |1.813793|1.773674|1.608811|14.491580|3.390975|3.869962|2.297263|2.150134|2.284737|2.669637|2.971687|2.685028|4.923719|3.272470|3.823896|6.535264|0.114327|0.147761|6.011072|0.199556|4.279984|6.982119|8.877698|17.689186|8.944774|5.647161|4.952254|5.642444|3.755711|19.662062|4.556819|4.357555|3.624482|3.429375|3.134190|2.814789|2.730858|2.915908|3.276342|0.053664|0.051823|0.046068|0.047478|0.045547|0.043516|0.041601|0.053833|0.058892|0.076809|0.082408|0.080159|0.092542|0.113378|0.119756|0.103276|0.200984|0.140978|0.500000| |1.498745|1.458247|1.343012|11.540459|2.726600|3.048887|1.790014|1.705317|1.807651|2.054620|2.209517|2.026242|3.519836|2.502885|2.959459|4.743224|0.087488|0.112724|3.661631|0.111600|2.863420|4.089409|5.631432|8.934716|17.728898|8.906603|5.649734|4.958460|2.939962|15.572375|3.789421|3.487998|2.682884|2.659528|2.445371|2.320728|2.366866|2.556697|2.726872|0.044015|0.042715|0.038765|0.039287|0.037973|0.036366|0.035205|0.043515|0.047607|0.057614|0.064660|0.063575|0.077003|0.087405|0.077983|0.073192|0.110026|0.096279|0.216383|0.500000| |1.423729|1.363745|1.265688|10.558801|2.471241|2.811299|1.610246|1.522904|1.595199|1.795400|1.944633|1.815660|3.079036|2.284701|2.709680|4.371302|0.085521|0.105540|3.109061|0.087680|2.498154|3.540436|4.930288|5.644204|8.906583|17.732267|8.919614|5.643749|2.539459|13.029569|3.208633|2.938010|2.125130|2.053813|1.900228|1.803520|1.830601|1.965012|2.092338|0.041647|0.040899|0.037168|0.036565|0.035989|0.034012|0.033458|0.039058|0.041970|0.052311|0.061078|0.058049|0.074010|0.076397|0.066224|0.066852|0.090358|0.090459|0.124269|0.214717|0.500000| |1.583938|1.489120|1.381459|11.431782|2.627083|3.098191|1.727074|1.602196|1.656856|1.869932|2.078685|1.972361|3.327203|2.527695|2.989414|5.069467|0.106648|0.121719|3.433653|0.089791|2.770106|4.085472|5.628999|4.955037|5.647075|8.916772|17.727993|8.917382|2.588918|12.797323|3.116341|2.890334|2.038945|1.903642|1.765918|1.645569|1.635945|1.742209|1.887214|0.046324|0.046142|0.041321|0.039485|0.039633|0.036710|0.036564|0.040896|0.043042|0.058097|0.070030|0.062826|0.083337|0.079528|0.071473|0.077442|0.098199|0.113147|0.107529|0.124133|0.214805|0.500000| |1.972028|1.830681|1.676826|14.282416|3.205643|3.974511|2.168757|1.953506|2.000237|2.296929|2.673840|2.563673|4.433122|3.327893|3.887322|7.479698|0.172295|0.169957|5.136788|0.120444|3.987012|6.976498|8.888077|5.641220|4.955304|5.650458|8.930554|17.682188|3.093265|14.784196|3.500450|3.328288|2.370181|2.132245|1.978002|1.795326|1.741488|1.842436|2.041760|0.058039|0.058363|0.050567|0.047838|0.048523|0.044123|0.043913|0.049092|0.050823|0.078000|0.094521|0.078644|0.104154|0.097504|0.099503|0.116500|0.147849|0.221708|0.123827|0.107583|0.124272|0.216097|0.500000| |2.793221|2.723330|2.238376|20.964554|4.799890|4.787131|4.060072|4.642815|6.802098|9.251829|6.131860|4.429035|7.481697|5.516186|4.473539|4.719548|0.087424|0.085979|3.441352|0.100897|3.895712|2.703259|2.408871|2.351046|2.089959|1.927910|1.957570|2.168130|25.829945|62.005142|14.024182|11.194466|5.445650|3.989533|3.356923|2.754035|2.588808|2.847192|3.529664|0.090748|0.071807|0.071266|0.079588|0.058819|0.059933|0.058792|0.108420|0.189494|0.101911|0.124896|0.202549|0.111062|0.134409|0.100961|0.095518|0.072469|0.070732|0.068943|0.055907|0.049263|0.050406|0.059304|0.500000| |2.403563|2.461435|2.109717|21.214528|5.069611|5.140571|3.904981|4.006955|4.860497|6.243953|5.863416|4.500139|8.133993|4.440023|4.128274|5.262106|0.092484|0.097669|4.728800|0.159442|5.154087|3.706106|3.181599|3.275708|2.742278|2.364263|2.326242|2.627614|9.239613|58.131134|9.687490|12.034753|17.603150|8.825237|7.154335|4.728634|3.973644|4.198844|5.631565|0.073533|0.065036|0.059681|0.068605|0.057249|0.057943|0.053645|0.094874|0.123787|0.109793|0.101239|0.120103|0.094072|0.130484|0.157547|0.111731|0.108014|0.089710|0.105340|0.074300|0.059054|0.057694|0.069061|0.140606|0.500000| |2.174016|2.158180|1.864542|17.672947|4.157332|4.332977|3.157856|3.234704|3.948995|5.155497|4.843868|3.668379|7.662247|4.819176|5.024375|5.983359|0.100446|0.114863|4.895359|0.176079|4.696329|3.699730|3.374224|3.565660|3.041988|2.607966|2.528459|2.807555|9.223122|58.365872|12.224688|9.734467|17.621615|8.810341|5.658070|4.208831|3.970305|4.704996|7.079634|0.067024|0.058988|0.054952|0.060257|0.050723|0.050667|0.048247|0.078017|0.104306|0.092316|0.105269|0.133888|0.113620|0.180885|0.127720|0.103478|0.101588|0.088216|0.112978|0.082901|0.065224|0.062396|0.072542|0.151004|0.300182|0.500000| |2.004778|2.124862|1.891406|18.177347|4.654345|4.347433|3.062731|3.247781|3.654127|3.886837|3.580440|3.184077|4.676363|2.831537|2.706348|3.587951|0.065913|0.069511|3.098547|0.098521|3.256802|2.744626|2.477713|2.631125|2.305623|1.996668|1.926033|2.104889|5.453349|37.354520|7.255506|10.482692|7.018576|8.902591|17.714348|8.930838|5.649692|4.953561|5.643048|0.059281|0.054184|0.050614|0.059825|0.051195|0.053359|0.048220|0.083234|0.100638|0.080339|0.069379|0.077927|0.065780|0.082619|0.101597|0.077408|0.082644|0.068248|0.084684|0.064613|0.051043|0.048388|0.055268|0.094366|0.215598|0.143727|0.500000| |1.599040|1.686850|1.546184|13.894547|3.600488|3.359890|2.210953|2.326585|2.532034|2.617070|2.456182|2.260754|3.293910|2.120874|2.098863|2.820383|0.052580|0.056317|2.343911|0.073193|2.356432|2.181951|2.069576|2.253689|2.065213|1.798535|1.700252|1.801437|3.732907|24.445609|5.471102|6.639862|4.099697|5.642369|8.931288|17.727805|8.910234|5.645441|4.954956|0.046573|0.043455|0.041143|0.047520|0.042041|0.043867|0.039971|0.061870|0.071546|0.058839|0.053271|0.058623|0.052719|0.063706|0.071223|0.058177|0.065202|0.054871|0.071593|0.059616|0.046973|0.043109|0.047017|0.068783|0.112304|0.097023|0.215821|0.500000| |1.401609|1.448898|1.331716|11.586881|2.942052|2.823082|1.839350|1.927355|2.122824|2.235859|2.101258|1.906940|2.907274|1.950265|1.996959|2.661477|0.049414|0.054392|2.132669|0.066992|2.065949|1.990215|1.963001|2.185224|2.076695|1.811591|1.678755|1.734937|3.322679|21.658463|5.312792|5.466682|3.552779|4.945487|5.647904|8.916251|17.724684|8.915608|5.648047|0.040996|0.038156|0.036471|0.040836|0.036276|0.037411|0.034863|0.051137|0.060432|0.050057|0.048937|0.054369|0.051080|0.061549|0.060274|0.051381|0.057961|0.049948|0.068490|0.061458|0.048096|0.042716|0.044848|0.063058|0.090467|0.090403|0.124256|0.214826|0.500000| |1.437707|1.457894|1.324729|11.508176|2.854161|2.811812|1.863383|1.949466|2.202214|2.399263|2.242260|1.973685|3.198863|2.207052|2.334614|3.038540|0.055464|0.063028|2.360997|0.075626|2.223983|2.145813|2.158629|2.430671|2.339321|2.034135|1.866577|1.912404|3.753312|24.797294|6.605234|5.720794|4.100150|5.641054|4.954399|5.645452|8.910095|17.726246|8.929890|0.042587|0.039100|0.037497|0.041099|0.036069|0.036765|0.034867|0.050904|0.062626|0.051667|0.054460|0.062200|0.060064|0.074329|0.062925|0.054817|0.060763|0.053340|0.075521|0.069651|0.054100|0.047329|0.049008|0.072203|0.096704|0.111617|0.107547|0.124096|0.214820|0.500000| 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