Version2.0 2020-07-19T12:46:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 02-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCN([C@H](c1ccc(cc1)C)C(=O)NCS(=O)(=O)c2ccc(cc2)C)C(=O)c3ccccc3OC C36560430 RHF 6-31G(d) (6D,7F) CCCN([C@H](c1ccc(cc1)C)C(=O)NCS(=O)(=O)c2ccc(cc2)C)C(=O)c3ccccc3OC C01[X(C28H32N2O5S1)] 198 C1 608 CCCN(C(=O)c1ccccc1OC)[C@H](c1ccc(cc1)C)C(=O)NCS(=O)(=O)c1ccc(cc1)C CCCN(C(=O)c1ccccc1OC)[C@H](c1ccc(cc1)C)C(=O)NCS(=O)(=O)c1ccc(cc1)C CCCN([C@@H](C(=O)NC[S](=O)(=O)c1ccc(C)cc1)c2ccc(C)cc2)C(=O)c3ccccc3OC InChIKey=WTMAGABOSXAAQW-AREMUKBSSA-N InChI=1S/C28H32N2O5S/c1-5-18-30(28(32)24-8-6-7-9-25(24)35-4)26(22-14-10-20(2)11-15-22)27(31)29-19-36(33,34)23-16-12-21(3)13-17-23/h6-17,26H,5,18-19H2,1-4H3,(H,29,31)/t26-/m1/s1 InChI=1/C28H32N2O5S/c1-5-18-30(28(32)24-8-6-7-9-25(24)35-4)26(22-14-10-20(2)11-15-22)27(31)29-19-36(33,34)23-16-12-21(3)13-17-23/h6-17,26H,5,18-19H2,1-4H3,(H,29,31)/t26-/m1/s1/f/h29H CCCN([C@H](c1ccc(cc1)C)C(=O)NCS(=O)(=O)c2ccc(cc2)C)C(=O)c3ccccc3OC C01[X(C28H32N2O5S1)] 198 C01 608 CCCN(C(=O)c1ccccc1OC)[C@H](c1ccc(cc1)C)C(=O)NCS(=O)(=O)c1ccc(cc1)C CCCN(C(=O)[C]1[CH][CH][CH][CH][C]1OC)[C@H]([C]1[CH][CH][C]([CH][CH]1)C)C(=O)NC[S@@]([O])(=O)[C]1[CH][CH][C]([CH][CH]1)C CCCN([C@H]([C]1[CH][CH][C](C)[CH][CH]1)C(=O)NC[S]([O])(=O)[C]2[CH][CH][C](C)[CH][CH]2)C(=O)[C]3[CH][CH][CH][CH][C]3OC InChIKey=WTMAGABOSXAAQW-AREMUKBSSA-N InChI=1S/C28H32N2O5S/c1-5-18-30(28(32)24-8-6-7-9-25(24)35-4)26(22-14-10-20(2)11-15-22)27(31)29-19-36(33,34)23-16-12-21(3)13-17-23/h6-17,26H,5,18-19H2,1-4H3,(H,29,31)/t26-/m1/s1 InChI=1/C28H32N2O5S/c1-5-18-30(28(32)24-8-6-7-9-25(24)35-4)26(22-14-10-20(2)11-15-22)27(31)29-19-36(33,34)23-16-12-21(3)13-17-23/h6-17,26H,5,18-19H2,1-4H3,(H,29,31)/t26-/m1/s1/f/h29H 4315.7473816615 -1959.622434 1-A 17822.1266 135 473 608 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|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|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| 12.4332 19.5921 22.9436 29.6096 38.3580 41.1363 42.1845 45.1375 45.4859 47.6886 51.6551 58.9120 62.2002 66.8484 73.2208 94.6273 106.5735 110.1072 138.4657 151.6345 165.1684 170.7842 180.4575 197.5449 217.1184 228.5134 247.2460 254.2797 266.0880 277.3043 285.1496 294.6453 298.5749 320.4073 324.4749 349.0551 356.1370 374.3758 391.6787 397.1982 410.8389 431.8326 451.2462 457.8337 460.6423 492.1459 494.4520 524.1595 533.9745 552.9621 566.4167 567.3159 609.4771 626.5209 631.1095 634.5551 648.2904 681.1575 695.5903 697.1575 709.1312 748.2960 782.5550 784.8960 798.6163 814.1660 835.2582 849.2549 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158.42 199.22 218.17 237.64 245.72 259.64 284.22 312.38 328.78 355.73 365.85 382.84 398.98 410.27 423.93 429.58 460.99 466.85 502.21 512.40 538.64 563.54 571.48 591.11 621.31 649.24 658.72 662.76 708.09 711.41 754.15 768.27 795.59 814.95 816.24 876.90 901.42 908.03 912.98 932.75 980.03 1000.80 1003.05 1020.28 1076.63 1125.92 1129.29 1149.03 1171.40 1201.75 1221.89 1225.50 1233.55 1241.87 1260.28 1275.66 1291.45 1317.72 1335.98 1370.28 1374.20 1379.46 1386.06 1407.23 1411.77 1442.16 1497.11 1545.49 1565.50 1570.69 1576.49 1581.39 1590.93 1601.82 1603.51 1605.92 1608.18 1609.48 1616.29 1638.79 1664.60 1685.85 1689.09 1713.01 1720.91 1727.27 1733.63 1737.97 1756.90 1766.82 1786.36 1798.65 1829.73 1860.78 1869.46 1883.48 1894.04 1894.09 1899.50 1908.23 1917.44 1922.38 1925.61 1931.62 1966.00 1989.19 2012.33 2043.68 2059.62 2070.82 2089.78 2097.18 2110.93 2126.81 2138.08 2142.25 2168.55 2242.01 2245.19 2252.30 2254.67 2254.77 2266.33 2285.90 2293.24 2320.64 2347.80 2349.43 2351.17 2354.24 2357.96 2360.03 2365.76 2366.89 2370.16 2384.46 2391.77 2411.15 2411.23 2439.76 2501.15 2540.10 2550.92 2568.22 2599.51 2605.73 2629.27 2768.57 2855.25 4603.50 4608.47 4616.99 4633.05 4647.42 4679.27 4683.84 4695.42 4700.34 4702.06 4704.77 4714.25 4718.26 4728.87 4739.90 4756.27 4776.41 4792.25 4815.75 4824.71 4827.88 4842.88 4844.95 4847.60 4863.09 4865.57 4879.98 4883.22 4893.07 4899.75 4912.53 5519.25 0.598909 0.633104 0.634048 0.526810 -1959.023525 -1958.989330 -1958.988386 -1959.095624 3.596780D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE CCCN([C@H](c1ccc(cc1)C)C(=O)NCS(=O)(=O)c2ccc(cc2)C)C(=O)c3ccccc3OC C36560430 RHF 6-31G(d) (6D,10F) C1 508.203194 |X|Y|Z| 67.876814 57.852042 99.337986 73.066532 25 6 7 16 22 2 1 |36.858105| |12.464495|36.858105| |7.545255|12.466481|36.858105| |4.948826|7.595403|12.963411|53.358707| |3.959243|5.392329|7.573288|17.810146|36.858105| |3.353582|4.443875|5.616269|12.633534|17.645164|0.500000| |3.453656|4.228873|5.985724|10.339953|12.487324|0.250793|36.858105| |2.902735|3.390532|4.313938|6.844897|7.535204|0.185362|13.657134|36.858105| |2.536026|2.836137|3.520296|5.272973|5.010562|0.128817|7.900135|13.821397|36.858105| |2.506521|2.749062|3.468424|5.044459|4.389742|0.112034|6.763399|7.883297|13.662580|36.858105| |2.838045|3.146445|4.187514|6.071921|4.984329|0.123240|7.896159|6.917286|8.013491|13.775765|36.858105| |3.389632|3.973383|5.792322|8.998650|7.490891|0.170580|13.776729|7.997709|6.922460|7.885740|13.701933|36.858105| |2.144453|2.286608|2.765413|3.918498|3.256419|0.085341|4.402491|5.015244|7.548365|12.611147|7.537234|5.000777|36.858105| |4.122852|5.525975|6.418194|10.656399|12.372565|0.250356|7.457049|6.347637|4.386553|3.688656|3.887386|5.075634|2.873445|36.858105| |4.165810|5.103204|5.754653|8.013797|7.888091|0.167178|6.608263|6.275120|4.523858|3.756652|3.838599|4.753330|2.957781|15.955541|73.516695| |3.742729|5.016025|5.089821|8.496186|7.841917|0.212160|5.123905|4.632236|3.474056|2.985542|3.113418|3.874140|2.426937|13.971238|15.065179|53.358707| |3.424862|4.243080|3.990882|5.960498|5.041681|0.136131|3.860989|3.725709|2.962814|2.559636|2.607159|3.086782|2.150587|7.844682|12.272315|18.233453|36.858105| |2.596610|3.049028|2.997932|4.531844|3.943064|0.113296|3.304814|3.427835|2.817636|2.390667|2.352200|2.676149|2.052676|5.282925|8.788559|9.613806|10.568704|388.023441| |2.410014|2.724392|2.601663|3.770659|3.125979|0.087682|2.712313|2.805538|2.397282|2.077147|2.041477|2.277904|1.823731|4.022298|7.107106|6.746753|7.365057|94.171100|73.516695| |2.467706|2.871309|2.965466|4.531545|4.184258|0.120631|3.704220|4.114081|3.344793|2.724480|2.601224|2.919462|2.321719|5.495682|9.476801|8.573907|7.228549|94.354904|13.533493|73.516695| |2.335960|2.769196|2.731009|4.273507|3.601460|0.110469|2.989509|3.024882|2.530571|2.194690|2.184706|2.482224|1.900961|4.285311|6.679843|7.895995|6.705435|76.482477|13.007298|13.039787|36.858105| |2.188738|2.549192|2.443327|3.727279|2.985240|0.089822|2.511235|2.500340|2.145600|1.905075|1.912315|2.152894|1.675927|3.451446|5.509790|6.125331|5.302897|49.471942|11.451697|8.820039|13.716961|36.858105| |1.985067|2.297814|2.219821|3.406192|2.676311|0.081748|2.283283|2.258289|1.968784|1.772536|1.786567|1.996463|1.573310|2.937817|4.671763|4.993189|3.975389|33.670934|7.841375|6.826646|7.962543|13.789551|36.858105| |1.908105|2.221578|2.202060|3.454432|2.741934|0.086186|2.359286|2.338859|2.045076|1.842168|1.854411|2.067205|1.634365|2.894986|4.539839|4.799927|3.571320|29.757611|6.545524|6.550612|6.849415|7.888799|13.669772|36.858105| |2.005697|2.365644|2.408240|3.879130|3.200014|0.103998|2.744958|2.754085|2.372022|2.101269|2.100576|2.354816|1.841805|3.343716|5.141755|5.537927|3.933664|33.649276|6.827933|7.856928|7.963153|6.874143|7.956032|13.702743|36.858105| |2.217782|2.644950|2.705238|4.383012|3.782805|0.122813|3.178429|3.240995|2.708213|2.337431|2.318076|2.629527|2.016163|4.179601|6.343003|7.244645|5.211040|49.474454|8.830679|11.512851|13.750760|7.908058|6.872561|7.886859|13.752399|36.858105| |1.705545|1.956849|1.943632|3.016319|2.342696|0.073023|2.061580|2.035870|1.817653|1.664879|1.680615|1.850356|1.497037|2.403304|3.819267|3.828099|2.804346|22.346740|5.103823|5.104042|4.439268|5.017980|7.558383|12.612458|7.546022|5.010209|36.858105| |4.205952|5.987784|7.882411|19.058827|7.676057|0.207641|5.523670|4.012770|3.285055|3.237828|3.899611|5.357409|2.606249|5.305480|7.475354|6.691894|3.669316|20.874781|4.410225|5.141149|2.934727|2.626393|2.479627|2.560312|2.844223|3.077418|2.284070|36.858105| |4.411812|5.974653|7.103194|11.577008|5.326234|0.141242|4.302121|3.292391|2.819940|2.854975|3.445206|4.456884|2.371346|4.160230|6.250546|5.361781|3.147415|18.121011|3.946256|4.410117|2.551944|2.351025|2.245625|2.297318|2.484127|2.632343|2.091497|15.863635|73.516695| |3.183395|4.175953|4.988507|10.453737|6.544360|0.222969|4.999315|3.894014|3.219579|3.122813|3.621678|4.696365|2.544782|4.651855|6.524071|6.266189|3.471546|21.016678|4.374411|5.233348|3.123793|2.773424|2.690048|2.888920|3.290226|3.453864|2.595545|12.593500|14.461031|36.858105| |2.723703|3.360602|4.058723|7.570540|5.176213|0.170334|4.646783|3.742814|3.252300|3.264853|3.824296|4.720668|2.694391|3.760231|5.564347|4.905219|2.855398|18.119852|3.832583|4.635178|2.689169|2.403054|2.367387|2.583322|2.946829|3.022851|2.387590|7.605508|10.930057|13.750251|36.858105| |2.292595|2.747508|3.163958|5.539020|4.041151|0.134862|3.743386|3.258114|2.915568|2.893512|3.224495|3.717175|2.471069|3.174646|4.794093|4.283993|2.583792|17.114978|3.643086|4.392996|2.623332|2.365108|2.390918|2.686436|3.079458|3.031395|2.547476|5.031380|7.767289|7.906318|13.750485|36.858105| |2.185131|2.626153|2.904968|5.038266|3.748443|0.127946|3.328097|2.989960|2.643549|2.545933|2.749995|3.153340|2.197310|3.113254|4.665819|4.418051|2.701316|18.268108|3.871603|4.610329|2.933368|2.665580|2.766775|3.215167|3.711456|3.485149|3.083803|4.447377|6.881442|6.865436|7.969346|13.776827|36.858105| |2.398676|2.959723|3.188259|5.657199|4.171464|0.145937|3.442864|3.059572|2.621408|2.472507|2.666470|3.138992|2.110704|3.559217|5.181055|5.328474|3.202497|21.244023|4.432056|5.194971|3.529136|3.205050|3.332762|3.883382|4.493902|4.204683|3.589388|5.015122|7.539532|7.909084|6.884526|7.924406|13.742841|36.858105| |2.905382|3.770092|4.109206|7.876825|5.459360|0.194453|4.109555|3.453111|2.860730|2.695126|2.980093|3.680118|2.246982|4.450527|6.196048|6.687685|3.765142|23.243007|4.782825|5.607110|3.689128|3.295998|3.264047|3.583467|4.102485|4.176137|3.173976|7.538434|10.308533|13.703285|7.958387|6.869636|7.951741|13.753286|36.858105| |3.217330|4.314179|4.346127|7.990946|5.421675|0.179102|3.868394|3.293542|2.697548|2.504906|2.735925|3.372963|2.097938|4.966515|6.780168|8.331479|4.655654|26.966690|5.517858|6.138219|4.316219|3.910936|3.765287|3.931490|4.344171|4.580481|3.340915|6.833831|9.755176|8.132192|5.273050|4.609712|5.203880|7.900576|13.996741|73.516695| |2.851569|3.620449|3.445016|5.699804|3.904360|0.122345|3.015181|2.672468|2.261456|2.114964|2.275502|2.701217|1.817628|3.817154|5.555125|6.444215|4.099780|24.914433|5.335255|5.472366|4.209607|4.166972|4.240104|4.342622|4.389213|4.310968|3.777878|4.747638|7.625260|5.358681|4.039081|3.804265|4.477399|6.561868|7.983850|24.010976|36.858105| |17.539543|8.774886|6.836868|6.241512|3.612002|0.086277|3.264216|2.729275|2.435583|2.468128|2.843725|3.351826|2.132788|3.556859|6.313041|4.386747|2.920742|16.344895|3.793616|3.933607|2.109820|1.985038|1.828133|1.776222|1.865747|2.034693|1.607850|4.108100|8.074389|3.101185|2.715615|2.276992|2.139919|2.310730|2.772333|5.298559|2.654917|0.500000| |17.538216|8.765604|6.838300|6.224926|3.913539|0.090609|3.552921|3.046501|2.679485|2.637429|2.948454|3.465779|2.257857|4.209198|8.057314|5.009946|3.428753|18.663071|4.355161|4.505181|2.300100|2.134715|1.919679|1.843466|1.949415|2.177212|1.642303|3.748805|6.715760|2.926734|2.551662|2.167802|2.062434|2.242670|2.675459|5.201527|2.587231|0.301252|0.500000| |17.554640|8.787747|5.486848|5.559711|3.393865|0.082524|2.952180|2.554169|2.250302|2.207757|2.450946|2.864060|1.919193|3.631701|6.515421|4.720957|3.314653|17.974067|4.264886|4.185156|2.285595|2.183167|1.980872|1.880532|1.947211|2.139107|1.685824|3.629527|6.805749|2.865283|2.458038|2.111569|2.045166|2.259708|2.699186|5.408266|2.793219|0.301936|0.301809|0.500000| |8.845743|17.582125|8.893427|9.483420|4.807713|0.117299|3.752406|3.035814|2.571552|2.512198|2.877678|3.589076|2.115736|4.695877|7.416926|6.244257|3.898647|20.449577|4.585196|4.748359|2.721359|2.552592|2.342549|2.272375|2.391398|2.618001|2.020535|6.510549|12.715970|4.479679|3.524370|2.876080|2.770315|3.163870|4.093404|8.486315|4.076151|0.210992|0.172798|0.212014|0.500000| |8.860948|17.542887|8.857094|9.392651|5.576316|0.128600|4.197008|3.481718|2.856708|2.685296|2.979399|3.719654|2.233400|6.597958|10.798638|8.575222|5.444631|25.625872|5.693925|5.862668|3.169809|2.897011|2.545363|2.418259|2.574414|2.942328|2.090239|5.301343|8.763319|3.993027|3.183155|2.662786|2.606570|2.994374|3.797604|8.104487|3.846451|0.172999|0.210772|0.212801|0.302716|0.500000| |6.877692|8.848957|17.625739|12.540792|7.577675|0.148719|6.794434|4.945619|4.001869|3.898120|4.648613|6.384677|3.051217|6.975482|12.524395|6.842212|4.039689|21.813750|4.742093|5.536863|2.696308|2.383748|2.141948|2.118286|2.331498|2.657433|1.862244|5.829143|9.176278|4.210959|3.596070|2.889636|2.660322|2.876703|3.571364|6.652782|3.030004|0.168714|0.204205|0.140625|0.174196|0.212955|0.500000| |6.957180|8.877020|17.618413|12.463354|5.844509|0.130394|5.225672|3.842210|3.297765|3.404853|4.266743|5.730682|2.762972|4.791279|7.881092|5.435006|3.260162|18.280129|4.032045|4.551912|2.393034|2.172142|2.008778|2.008974|2.181550|2.398435|1.804671|7.418175|13.852197|4.730253|4.065264|3.140468|2.812508|3.000941|3.775230|6.797302|3.117733|0.206921|0.171174|0.141567|0.212718|0.174043|0.302683|0.500000| |2.790915|3.271784|3.945612|6.264532|6.988938|0.182487|8.872776|17.722782|8.989407|5.635849|4.975717|5.665003|4.103441|7.015689|12.476587|7.142737|4.283696|29.162793|5.778742|9.374016|3.490765|2.798276|2.480331|2.557532|3.058429|3.736586|2.183993|3.708780|5.421969|3.675549|3.437589|3.077709|2.934254|3.073033|3.433202|5.984959|2.755807|0.071662|0.081358|0.069432|0.081633|0.096657|0.123730|0.095528|0.500000| |2.274592|2.506447|2.991725|4.419263|4.097802|0.108616|5.637315|8.977499|17.696624|8.896181|5.675004|4.976119|7.006117|3.831713|7.158822|4.302408|2.793050|19.623675|4.222414|5.950332|2.466192|2.092733|1.919970|1.993282|2.309837|2.636552|1.775044|2.812591|4.358165|2.799513|2.826122|2.611952|2.419358|2.399067|2.564006|4.341314|2.088809|0.060501|0.066931|0.056942|0.063562|0.070987|0.093415|0.077880|0.218385|0.500000| |2.701862|2.920718|3.801550|5.323930|4.076843|0.102844|5.640895|4.973866|5.670042|8.930899|17.701251|8.937760|6.968505|3.272358|5.750619|3.687727|2.310062|14.854747|3.272749|4.039725|1.962420|1.744302|1.644167|1.705280|1.908018|2.073100|1.563732|3.579748|5.865438|3.312137|3.576561|3.043480|2.572134|2.463791|2.724950|4.436911|2.110408|0.076986|0.077441|0.065074|0.075271|0.075546|0.114012|0.112669|0.107890|0.124308|0.500000| |3.723112|4.410446|6.801039|10.285109|6.909085|0.159093|8.915550|5.661910|4.979784|5.644169|8.958746|17.740328|4.093982|4.684184|7.627546|5.059211|2.965391|17.927725|3.855869|4.744030|2.375874|2.095010|1.957985|2.021863|2.271826|2.498560|1.823875|6.457851|9.848207|5.190581|5.195205|3.883987|3.231668|3.223127|3.866321|6.259495|2.811491|0.105249|0.102699|0.085980|0.112626|0.109244|0.190058|0.207069|0.124058|0.107951|0.217883|0.500000| |2.111631|2.214449|2.633740|3.641136|3.011651|0.077989|3.955328|4.573497|6.628332|8.845035|5.938453|4.317730|17.540544|2.760367|5.190207|3.176131|2.105115|14.328505|3.218970|4.055971|1.839069|1.626929|1.518803|1.563885|1.750518|1.925205|1.429933|2.395793|3.906066|2.309458|2.394743|2.200786|1.990484|1.937915|2.068179|3.492460|1.717257|0.058096|0.062580|0.052702|0.056476|0.060454|0.081890|0.072622|0.107924|0.186097|0.154194|0.100367|0.500000| |2.100902|2.218568|2.680861|3.754440|3.006932|0.078920|3.940472|4.168034|5.567579|8.836588|7.219569|4.731695|17.576959|2.624982|4.754812|3.052886|1.989486|13.386877|2.994687|3.717585|1.762525|1.570566|1.484639|1.542458|1.723668|1.865290|1.424500|2.547689|4.196005|2.474452|2.657990|2.432997|2.137943|2.035857|2.164360|3.573259|1.750317|0.058890|0.061048|0.052203|0.057478|0.059376|0.080979|0.076190|0.096100|0.140498|0.220836|0.113126|0.301829|0.500000| |1.955179|2.097744|2.494009|3.602429|3.019170|0.081433|3.945334|4.617950|6.790095|8.838088|5.815598|4.265137|17.546539|2.686055|4.854128|3.153588|2.065883|14.323771|3.180120|4.081995|1.886931|1.662072|1.569472|1.642927|1.859699|2.023119|1.511341|2.436112|3.930206|2.442582|2.614001|2.459898|2.202613|2.094245|2.189023|3.610307|1.770962|0.053808|0.056719|0.049117|0.054476|0.057402|0.075171|0.068731|0.109284|0.195040|0.149489|0.098913|0.302308|0.301664|0.500000| |3.595898|4.926332|4.977287|8.958371|7.549063|0.231852|4.800727|4.199293|3.223384|2.837233|3.009420|3.765200|2.321615|9.335359|10.874545|25.984914|9.083159|42.381328|7.748560|9.318411|5.875324|4.687868|3.966407|3.896493|4.512980|5.691584|3.093620|5.643029|7.828616|5.544350|4.090407|3.559876|3.764307|4.799791|6.400718|15.900480|6.220219|0.087779|0.094996|0.093196|0.133502|0.163823|0.128192|0.111128|0.127228|0.081149|0.073635|0.103085|0.061304|0.060257|0.061944|0.500000| |3.423014|4.211523|3.734350|5.464825|4.276327|0.117150|3.311081|3.132961|2.566889|2.275390|2.344302|2.755498|1.940627|5.877960|9.277965|12.418801|17.609001|57.529839|12.274970|9.646303|6.425801|5.785041|4.292961|3.685450|3.848733|4.815691|2.901692|3.519913|5.522373|3.324741|2.717421|2.475733|2.620805|3.151120|3.695541|8.488399|4.491039|0.080906|0.092733|0.095077|0.111604|0.151088|0.101473|0.086216|0.096697|0.067311|0.058682|0.075249|0.052734|0.050458|0.051860|0.222173|0.500000| |3.624554|4.306559|4.015376|5.622735|4.716176|0.120462|3.810916|3.737691|3.008349|2.596406|2.625500|3.072684|2.189640|7.546610|14.341061|12.568818|17.638415|58.315538|12.283887|11.683158|5.086692|4.251267|3.310817|2.997780|3.261489|4.151810|2.432873|3.377099|5.250219|3.101812|2.611235|2.350175|2.407219|2.772545|3.229916|6.812350|3.401660|0.084438|0.104536|0.097417|0.105466|0.155552|0.117937|0.090874|0.118954|0.079183|0.064624|0.081432|0.060352|0.056092|0.057925|0.180390|0.299699|0.500000| |2.205415|2.528070|2.372119|3.522127|2.777456|0.081281|2.355201|2.342064|2.024875|1.807580|1.815652|2.035698|1.598850|3.270916|5.367681|5.713478|5.282287|47.271781|13.122541|8.142562|8.911717|17.743567|8.910095|5.621235|4.955050|5.637967|4.090869|2.458708|3.969223|2.526371|2.193980|2.135796|2.362838|2.796793|2.927092|6.201170|3.730244|0.055199|0.059953|0.061918|0.069991|0.080555|0.064604|0.058573|0.072424|0.054968|0.046203|0.055218|0.043430|0.041705|0.043837|0.117531|0.169235|0.121994|0.500000| |1.872754|2.136042|2.039490|3.074821|2.368229|0.071238|2.043592|2.013157|1.776970|1.617227|1.634425|1.814233|1.448117|2.580707|4.167143|4.283557|3.430359|27.845214|6.874760|5.732585|5.660398|8.957029|17.709059|8.898568|5.650930|4.951213|7.016753|2.255358|3.697670|2.417626|2.146486|2.169676|2.490880|2.951739|2.889245|5.889126|3.833224|0.048105|0.050174|0.052429|0.060887|0.065275|0.054552|0.051729|0.060721|0.048199|0.042120|0.049756|0.038952|0.038161|0.040084|0.093731|0.104951|0.081725|0.215488|0.500000| |1.904320|2.236050|2.318902|3.764124|3.108448|0.102528|2.730755|2.750095|2.399827|2.138163|2.132624|2.369776|1.882312|3.115866|4.804827|4.932682|3.384311|27.837031|5.737962|6.893894|5.663534|4.952417|5.649126|8.906727|17.713682|8.950270|6.990353|2.805701|4.356393|3.343482|3.095970|3.358136|4.158666|4.843571|4.136962|7.266452|4.034475|0.049727|0.051429|0.051021|0.062916|0.066435|0.062330|0.059074|0.083722|0.064989|0.053941|0.063378|0.049296|0.049017|0.053258|0.111547|0.090803|0.080060|0.107559|0.124083|0.500000| |2.259684|2.701910|2.851358|4.698182|4.276400|0.142410|3.655912|3.842319|3.149463|2.650072|2.592765|2.943568|2.255660|4.653365|7.002887|7.633276|5.127258|47.272562|8.163049|13.249480|8.929394|5.638664|4.954980|5.621147|8.894174|17.754694|4.084005|3.233675|4.825970|3.654470|3.246206|3.237931|3.634550|4.240735|4.255835|7.891658|3.920366|0.057741|0.062185|0.059692|0.073210|0.082871|0.078898|0.070026|0.126937|0.085338|0.063464|0.076087|0.059490|0.057317|0.063170|0.160625|0.123843|0.116802|0.124201|0.107551|0.215270|0.500000| |1.576371|1.786142|1.776734|2.723429|2.126101|0.065509|1.904009|1.904449|1.719537|1.574263|1.575615|1.715588|1.428499|2.194175|3.543586|3.440059|2.558800|20.852626|4.879364|4.831533|3.999433|4.516092|6.428503|8.873984|6.149638|4.411865|17.540744|2.041661|3.340793|2.288827|2.135411|2.275177|2.691701|3.029009|2.717243|5.037985|3.122264|0.041344|0.042448|0.043348|0.050843|0.052936|0.047711|0.045981|0.056881|0.047081|0.040807|0.046744|0.038057|0.037719|0.040222|0.075514|0.072968|0.062695|0.105681|0.175490|0.162804|0.102642|0.500000| |1.684824|1.938563|1.952242|3.062312|2.377432|0.075039|2.106418|2.073535|1.858630|1.710797|1.731017|1.902518|1.538868|2.378311|3.756642|3.724870|2.649294|20.686412|4.640632|4.863532|3.966131|4.178965|5.600965|8.832087|7.164754|4.721422|17.580858|2.352356|3.821243|2.739359|2.563277|2.809426|3.499162|4.010448|3.371949|6.054518|3.782508|0.044422|0.044993|0.045944|0.055763|0.056900|0.051786|0.050691|0.061273|0.050274|0.044819|0.052154|0.040566|0.040771|0.043324|0.084317|0.075041|0.064180|0.096183|0.141825|0.217300|0.112062|0.302100|0.500000| |1.701150|1.944191|1.904745|2.926585|2.226481|0.068592|1.950306|1.904095|1.703394|1.574147|1.601387|1.766447|1.418242|2.284674|3.641328|3.641011|2.684071|20.691668|4.824559|4.645624|3.967625|4.677480|7.001809|8.836499|5.690340|4.213695|17.568592|2.235357|3.690734|2.510530|2.294288|2.426873|2.916831|3.417613|3.068790|5.846492|3.891625|0.044612|0.045212|0.047067|0.056314|0.057548|0.050346|0.049313|0.056255|0.046004|0.041629|0.048814|0.037701|0.037682|0.039575|0.082088|0.078845|0.064993|0.110634|0.207183|0.144979|0.097134|0.302276|0.301257|0.500000| |2.764617|3.336325|4.173723|7.405829|4.937145|0.149787|4.813653|3.796397|3.398236|3.568473|4.386287|5.386655|2.936395|3.555720|5.419432|4.461392|2.635605|16.668677|3.570327|4.304759|2.408159|2.160792|2.111568|2.271301|2.562601|2.657090|2.108555|7.096823|10.958712|8.952489|17.727236|8.920158|5.660343|4.958901|5.660634|7.579078|3.384227|0.078051|0.072379|0.068414|0.095768|0.085723|0.103629|0.121626|0.093550|0.080757|0.117187|0.173864|0.071568|0.082029|0.078063|0.099729|0.069367|0.068454|0.055520|0.053635|0.074253|0.079566|0.053093|0.062319|0.056475|0.500000| |2.088224|2.441035|2.806640|4.709116|3.464128|0.111243|3.381715|3.020371|2.802923|2.842644|3.144140|3.468025|2.485594|2.778917|4.308197|3.698783|2.282653|15.345713|3.310642|3.977536|2.327208|2.113461|2.142424|2.400014|2.723536|2.669951|2.313195|4.106052|6.604898|5.635149|8.915465|17.732865|8.908305|5.637604|4.951476|6.504493|3.143746|0.058122|0.055294|0.053534|0.070355|0.065450|0.072428|0.078642|0.078556|0.070358|0.084166|0.099867|0.061016|0.068796|0.069479|0.083214|0.060701|0.058499|0.053415|0.054493|0.083029|0.079380|0.058284|0.070956|0.061207|0.215061|0.500000| |1.947362|2.292323|2.498131|4.178941|3.145333|0.104426|2.872508|2.662458|2.406823|2.319648|2.458424|2.737397|2.045042|2.705967|4.144688|3.854678|2.431013|16.899292|3.631262|4.276387|2.744957|2.531628|2.683893|3.178922|3.623947|3.279670|3.169642|3.555346|5.674084|4.948230|5.656609|8.920032|17.719078|8.941978|5.658327|7.467192|3.863962|0.053058|0.051378|0.051071|0.066819|0.063523|0.064479|0.067466|0.073239|0.062259|0.064413|0.077052|0.051661|0.055348|0.057594|0.089377|0.065814|0.060560|0.062284|0.067687|0.116544|0.094026|0.077441|0.102898|0.082731|0.124269|0.214450|0.500000| |2.233818|2.716270|2.835200|4.836711|3.612361|0.122633|3.008969|2.753835|2.379860|2.225462|2.357111|2.723842|1.926842|3.270718|4.835596|5.070562|3.176347|21.729813|4.572279|5.202589|3.803568|3.551442|3.860764|4.701846|5.317840|4.595135|4.427818|4.086613|6.351763|5.633039|4.960302|5.644162|8.915339|17.746921|8.911711|12.672149|7.093671|0.059383|0.058196|0.059345|0.080563|0.077659|0.071935|0.073697|0.078434|0.061529|0.060670|0.076868|0.049638|0.051475|0.053370|0.126221|0.088447|0.075593|0.084442|0.094465|0.160427|0.122221|0.099773|0.141435|0.116875|0.107664|0.124084|0.215857|0.500000| |2.515152|3.103608|3.001265|4.915955|3.563242|0.113612|2.827326|2.582851|2.199184|2.035369|2.151155|2.510411|1.762403|3.559216|5.249904|6.086854|4.028328|26.266980|5.605519|5.720152|4.824067|4.912950|5.325551|5.675920|5.533184|5.077011|4.809912|3.942576|6.279695|4.577934|3.663334|3.622174|4.447263|6.523713|6.731214|16.393042|17.597767|0.065064|0.064666|0.068641|0.093756|0.092623|0.075497|0.075646|0.075198|0.057142|0.055263|0.071183|0.046322|0.046906|0.048142|0.158591|0.121828|0.091773|0.116588|0.130137|0.137279|0.121794|0.105430|0.132477|0.137650|0.085471|0.084282|0.110757|0.226022|0.500000| |2.693819|3.340790|3.200585|5.188893|3.452220|0.106728|2.762218|2.439465|2.104166|2.002526|2.171683|2.551553|1.737730|3.265728|4.868813|5.199553|3.349828|20.788608|4.561073|4.683828|3.425902|3.434182|3.589646|3.743372|3.729020|3.557344|3.472237|4.544880|7.718250|5.205386|4.079036|3.909955|4.616509|6.524133|7.359979|16.455900|17.596949|0.071217|0.067378|0.073466|0.106698|0.095031|0.077633|0.083083|0.068720|0.053967|0.056725|0.074869|0.045475|0.046922|0.047065|0.131838|0.100463|0.080081|0.086972|0.093180|0.098993|0.091744|0.080553|0.098889|0.101297|0.095018|0.090133|0.111485|0.192946|0.298439|0.500000| 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