Version2.1 2020-12-19T08:13:52Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 10-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc(cc2)C3[NH+]=c4ccccc4=[NH+]3 C63667486 RHF 6-31G(d) (6D,7F) CCCCN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc(cc2)C3[NH+]=c4ccccc4=[NH+]3 C01[X(C25H28N4O3S1)] 177 C1 555 CCCCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)C1[NH+]=c2c(=[NH+]1)cccc2)C CCCCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)C1[NH+]=c2c(=[NH+]1)cccc2)C CCCCN(C)[S](=O)(=O)c1ccc(cc1)C(=O)Nc2ccc(cc2)C3[NH+]=C4C=CC=CC4=[NH+]3 InChIKey=GBMCPPFQOXSUSY-UHFFFAOYSA-P InChI=1S/C25H26N4O3S/c1-3-4-17-29(2)33(31,32)21-15-11-19(12-16-21)25(30)26-20-13-9-18(10-14-20)24-27-22-7-5-6-8-23(22)28-24/h5-16,24H,3-4,17H2,1-2H3,(H,26,30)/p+2 InChI=1/C25H26N4O3S/c1-3-4-17-29(2)33(31,32)21-15-11-19(12-16-21)25(30)26-20-13-9-18(10-14-20)24-27-22-7-5-6-8-23(22)28-24/h5-16,24H,3-4,17H2,1-2H3,(H,26,30)/p+2/fC25H28N4O3S/h26-28H/q+2 CCCCN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc(cc2)C3[NH+]=c4ccccc4=[NH+]3 C01[X(C25H28N4O3S1)] 177 C01 555 CCCCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)C1[NH+]=c2c(=[NH+]1)cccc2)C CCCCN(S(=O)(=O)[C]1[CH][CH][C]([CH][CH]1)C(=O)N[C]1[CH][CH][C]([CH][CH]1)[C@@H]1[NH][C]2[CH]=CC=[CH][C]2[NH]1)C CCCCN(C)[S](=O)(=O)[C]1[CH][CH][C]([CH][CH]1)C(=O)N[C]2[CH][CH][C]([CH][CH]2)C3N[C]4C=CC=C[C]4N3 InChIKey=WULCCLLXYPMWMZ-UHFFFAOYSA-N InChI=1S/C25H28N4O3S/c1-3-4-17-29(2)33(31,32)21-15-11-19(12-16-21)25(30)26-20-13-9-18(10-14-20)24-27-22-7-5-6-8-23(22)28-24/h5-16,24,27-28H,3-4,17H2,1-2H3,(H,26,30) InChI=1/C25H28N4O3S/c1-3-4-17-29(2)33(31,32)21-15-11-19(12-16-21)25(30)26-20-13-9-18(10-14-20)24-27-22-7-5-6-8-23(22)28-24/h5-16,24,27-28H,3-4,17H2,1-2H3,(H,26,30)/f/h26H 3195.4576588014 -1802.2531838 1-A 36423.3588 122 433 555 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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 1.00783 6163.1542 62822.1908 65637.1423 0.99995 -0.00807 -0.00513 0.00811 0.99994 0.00737 0.00507 -0.00741 0.99996 1 0.01405 0.00138 0.00132 0.29283 0.02873 0.02750 12.86 19.34 26.99 38.74 39.16 63.33 64.00 85.66 94.75 102.43 115.61 140.00 168.61 182.80 199.93 225.84 242.88 276.85 288.05 298.67 348.32 360.02 374.83 378.96 403.01 434.28 453.89 469.25 523.25 536.20 562.78 576.83 598.39 618.48 636.30 652.49 656.08 656.19 729.78 737.88 745.38 782.83 811.42 835.42 849.43 870.40 906.39 923.93 952.71 984.23 991.49 998.27 1105.64 1130.39 1135.65 1137.25 1143.59 1170.32 1190.25 1200.99 1233.28 1237.71 1239.50 1262.25 1305.48 1324.67 1330.99 1360.39 1364.03 1383.49 1390.66 1396.09 1409.80 1411.91 1418.02 1431.84 1444.78 1452.22 1508.91 1552.81 1575.91 1577.93 1580.34 1592.15 1602.18 1613.31 1626.73 1627.99 1637.98 1669.38 1688.39 1719.72 1724.46 1742.21 1769.31 1801.43 1806.63 1823.85 1825.20 1827.03 1872.96 1874.37 1875.67 1882.60 1893.91 1897.34 1921.03 1949.60 1986.01 1996.66 2022.25 2030.40 2046.13 2053.52 2080.70 2090.95 2092.99 2106.54 2133.00 2145.75 2146.87 2190.42 2201.30 2233.76 2249.72 2256.27 2261.23 2271.66 2318.46 2325.00 2352.53 2358.04 2365.72 2368.19 2372.61 2378.43 2388.27 2407.81 2421.78 2441.61 2524.10 2534.30 2539.57 2570.51 2570.94 2605.74 2618.47 2665.13 2868.78 4596.98 4602.99 4610.20 4627.73 4634.05 4653.36 4664.23 4695.64 4708.41 4710.90 4761.36 4793.95 4812.39 4814.13 4840.12 4844.32 4871.18 4897.72 4904.62 4905.51 4912.78 4920.76 4924.39 4928.90 5005.27 5387.00 5401.32 5566.94 0.538845 0.567706 0.568650 0.472975 -1801.714339 -1801.685478 -1801.684534 -1801.780209 3.208955D-04 MUNgauss RevisionA2.0 retrievium 19-Dec-2020 DUDE CCCCN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2ccc(cc2)C3[NH+]=c4ccccc4=[NH+]3 C63667486 RHF 6-31G(d) (6D,10F) C1 464.188213 |X|Y|Z| 180.768859 51.712539 32.696781 67.360943 23 6 7 20 3 |36.858105| |12.467430|36.858105| |7.482458|12.447213|36.858105| |4.883780|7.521816|12.486589|36.858105| |3.787190|4.954387|7.667880|12.875793|53.358707| |3.374868|4.168803|5.872214|7.675629|17.715753|36.858105| |3.007186|3.740303|4.946226|7.122127|15.827868|7.275465|388.023441| |2.574158|3.144838|3.888167|5.392768|10.222899|6.563756|94.710699|73.516695| |3.105555|3.887753|4.864353|6.674831|10.453663|5.014972|94.759658|13.646745|73.516695| |2.672553|3.100576|4.033032|4.791057|9.675064|5.802438|75.956984|13.136004|13.091020|36.858105| |2.281383|2.589567|3.228386|3.748079|7.073049|4.999941|49.331051|11.773033|9.064879|13.781595|36.858105| |2.070374|2.279432|2.773509|3.049824|5.360895|3.873329|33.569373|7.953816|6.957415|7.969836|13.735762|36.858105| |2.119271|2.289254|2.775984|2.933764|4.980320|3.466493|29.848538|6.610403|6.637697|6.909825|7.933984|13.744134|36.858105| |2.426167|2.625026|3.246842|3.367715|5.691276|3.710209|33.664930|6.831384|7.827982|7.975869|6.853949|7.904554|13.656702|36.858105| |2.789798|3.136065|4.059405|4.391073|7.889962|4.668721|49.446391|8.802155|11.241468|13.721627|7.893117|6.850581|7.928793|13.813369|36.858105| |1.866400|1.972957|2.321980|2.399646|3.893236|2.776127|22.468238|5.165626|5.169154|4.483964|5.087771|7.750387|12.762081|7.517861|5.027034|36.858105| |1.730928|1.822611|2.125564|2.197136|3.543701|2.608614|20.083577|4.769520|4.556738|3.821226|4.509847|6.681778|8.047458|5.325111|4.020623|15.987581|73.516695| |1.807020|1.887818|2.183756|2.223546|3.494933|2.435053|20.075330|4.558463|4.831506|3.796201|3.988941|5.260169|7.829793|6.541190|4.471954|13.659577|14.971368|53.358707| |1.625257|1.677960|1.903504|1.921492|2.953276|2.081037|16.682184|3.857490|4.055779|2.980920|3.128728|3.917213|5.064320|4.471132|3.392301|7.666471|11.829597|18.863824|36.858105| |1.507155|1.549655|1.748070|1.762501|2.702638|1.947132|15.043942|3.545592|3.604237|2.634523|2.828621|3.527999|4.248356|3.645814|2.890824|6.319434|12.044754|10.585945|13.604165|36.858105| |1.377476|1.406308|1.564266|1.569800|2.368788|1.708392|13.087652|3.105407|3.168642|2.219335|2.352493|2.817891|3.258109|2.918502|2.411789|4.343405|8.181874|7.035242|7.932033|13.826176|36.858105| |1.341848|1.364783|1.504601|1.504899|2.243560|1.599099|12.420313|2.932246|3.058540|2.073972|2.154834|2.517504|2.912147|2.712049|2.274112|3.678865|6.529880|6.219238|6.811934|7.885322|13.685355|36.858105| |1.423266|1.450001|1.600312|1.600139|2.380572|1.670643|13.292446|3.100600|3.319477|2.230299|2.278323|2.647227|3.138186|3.004677|2.494986|3.896101|6.494198|7.117934|7.876742|6.829085|7.921929|13.621697|36.858105| |1.567543|1.608399|1.798309|1.805112|2.718827|1.890545|15.350096|3.536337|3.830206|2.651461|2.700136|3.206111|3.989851|3.817845|3.036734|5.133588|7.981327|10.905409|13.514540|7.877907|6.901125|7.945411|13.918899|36.858105| |1.222940|1.237984|1.350271|1.347533|1.987878|1.423045|10.927972|2.599495|2.699404|1.784458|1.847701|2.111714|2.374221|2.238316|1.931484|2.869012|5.164212|4.580956|4.443626|5.063083|7.679474|12.774369|7.525289|5.041212|36.858105| |1.154041|1.172412|1.271241|1.276477|1.873762|1.336370|10.380389|2.484986|2.582604|1.674915|1.733539|1.957709|2.165479|2.049218|1.796299|2.551924|4.556321|4.025189|3.725245|4.003393|5.321434|7.568992|6.079934|4.315287|12.882198|53.358707| |1.140547|1.164896|1.264897|1.278779|1.883191|1.344455|10.508900|2.531781|2.609892|1.696641|1.770734|2.004933|2.195694|2.053708|1.804005|2.589836|4.655478|4.040886|3.700735|3.988427|5.144500|6.674782|5.540757|4.178972|8.776494|25.737071|0.500000| |1.113706|1.126300|1.212556|1.212348|1.764370|1.254534|9.728032|2.323836|2.437294|1.550931|1.588297|1.768271|1.949799|1.877761|1.666348|2.244238|3.962286|3.518757|3.143913|3.263293|4.078240|5.495916|4.982707|3.688195|8.216062|20.315735|0.260572|36.858105| |1.049566|1.062205|1.136204|1.138732|1.647038|1.168860|9.096929|2.181989|2.291949|1.432261|1.462107|1.607812|1.751675|1.697705|1.528615|1.974265|3.472128|3.049590|2.628809|2.674016|3.169806|3.968597|3.827352|3.043571|5.105071|10.451845|0.186644|13.303358|36.858105| |1.021526|1.028635|1.094030|1.090944|1.567300|1.110935|8.602425|2.058015|2.175683|1.343251|1.360413|1.482571|1.614064|1.582872|1.436616|1.795512|3.142562|2.758522|2.335646|2.352389|2.729432|3.338170|3.292981|2.692412|4.139266|7.221572|0.128704|8.112836|14.210418|36.858105| |1.045103|1.045706|1.110786|1.099394|1.575291|1.116853|8.576777|2.040320|2.168723|1.339585|1.348570|1.468052|1.609288|1.591443|1.442503|1.788617|3.122309|2.755166|2.332856|2.349073|2.726310|3.337760|3.294947|2.691712|4.139821|6.442145|0.110222|6.847669|7.650884|12.828086|36.858105| |1.102696|1.100840|1.174715|1.158190|1.665730|1.182757|9.036703|2.140541|2.275804|1.423429|1.433234|1.571538|1.739545|1.719041|1.542885|1.956084|3.418267|3.040519|2.620829|2.664234|3.159904|3.966961|3.833376|3.041492|5.106515|7.257747|0.117419|7.473510|6.424181|7.649109|14.207720|36.858105| |1.144826|1.149097|1.235772|1.224135|1.775963|1.263192|9.690914|2.298256|2.427513|1.545286|1.569388|1.743578|1.941364|1.892336|1.675711|2.230725|3.921527|3.511842|3.137125|3.254320|4.067502|5.493749|4.989840|3.686584|8.218003|11.626099|0.164609|12.697500|7.471882|6.845973|8.113460|13.307360|36.858105| |1.206954|1.211473|1.311876|1.297248|1.894727|1.352156|10.314681|2.439246|2.565658|1.664577|1.697666|1.908948|2.148679|2.077933|1.814078|2.522989|4.466039|4.010587|3.709326|3.979509|5.286854|7.562766|6.101757|4.312763|12.891480|11.626841|0.165309|8.539399|5.330622|4.731704|5.305262|7.679051|14.920891|53.358707| |1.240903|1.238945|1.342118|1.318147|1.922927|1.374529|10.381370|2.443772|2.577185|1.676489|1.701392|1.910560|2.162941|2.107764|1.837413|2.533796|4.480368|4.012091|3.670280|3.943429|5.084996|6.662876|5.567650|4.172397|8.780029|8.099813|0.127821|5.925272|4.226357|3.967386|4.633375|6.719985|9.380174|25.740544|0.500000| |17.540083|8.772658|6.778617|4.504042|4.995529|3.438248|20.384578|4.423321|5.083770|2.601685|2.254223|2.059758|2.103120|2.381104|2.700719|1.862784|3.096204|2.437010|1.614582|1.509399|1.379391|1.336377|1.407860|1.546635|1.219221|1.559444|0.031423|1.103993|1.037707|1.009645|1.034832|1.094715|1.137556|1.637652|0.034458|0.500000| |17.536226|8.773996|6.777713|4.513668|4.985247|3.195655|21.260022|4.471707|5.592754|2.735067|2.313580|2.123075|2.213560|2.578665|2.947373|1.953385|3.192567|2.602786|1.718122|1.581283|1.444330|1.413197|1.508477|1.666576|1.284348|1.645890|0.033098|1.168755|1.099451|1.071554|1.099643|1.162825|1.205916|1.731776|0.036418|0.301475|0.500000| |17.565018|8.786580|5.461609|4.057253|4.361761|2.900463|18.808436|4.120337|4.906505|2.350515|2.038723|1.861899|1.899993|2.148314|2.435554|1.692945|2.805753|2.244286|1.497150|1.393546|1.283129|1.255401|1.329639|1.453591|1.151506|1.485436|0.029961|1.057201|1.000643|0.976861|0.999276|1.050664|1.086125|1.551542|0.032515|0.301875|0.301818|0.500000| |8.866003|17.519759|8.851174|6.900120|6.292138|4.134687|24.938006|5.476915|6.297753|2.865975|2.452815|2.152192|2.126217|2.383277|2.814128|1.844393|3.062125|2.386366|1.567272|1.459977|1.329356|1.286738|1.358370|1.498278|1.172410|1.514914|0.030784|1.068974|1.010387|0.978213|0.992416|1.042438|1.087816|1.558788|0.032482|0.210782|0.173001|0.213167|0.500000| |8.861512|17.518696|8.851741|6.936997|6.273510|3.734949|26.586130|5.569886|7.344686|3.046275|2.529612|2.224434|2.239840|2.579983|3.094498|1.931667|3.154802|2.540233|1.660753|1.524294|1.386791|1.354371|1.447363|1.605672|1.229540|1.593189|0.032342|1.126983|1.066664|1.033746|1.048684|1.100265|1.146664|1.638677|0.034096|0.172947|0.210758|0.213024|0.303980|0.500000| |6.855380|8.828003|17.525738|8.915270|9.533639|5.167499|35.375297|6.662421|9.103414|4.340168|3.368743|2.938553|3.033604|3.694198|4.689786|2.518488|4.030936|3.260753|2.070343|1.877349|1.672173|1.614077|1.731894|1.962731|1.439426|1.838344|0.037226|1.288320|1.203402|1.158772|1.179424|1.251081|1.317234|1.907430|0.039903|0.168751|0.203195|0.140210|0.173426|0.211146|0.500000| |6.879189|8.859744|17.527335|8.823717|9.569690|6.402366|31.684493|6.495393|7.294268|3.853329|3.187831|2.773357|2.763488|3.171240|3.846638|2.330603|3.838063|2.949532|1.895252|1.759260|1.572888|1.501875|1.583888|1.774036|1.349110|1.719803|0.034881|1.202922|1.123657|1.081570|1.100485|1.167348|1.229422|1.783454|0.037358|0.204039|0.169076|0.140605|0.211912|0.173742|0.303509|0.500000| |4.536831|6.893322|8.801557|17.540500|12.379486|7.414530|41.598531|9.094962|9.449857|4.043378|3.367124|2.762844|2.610777|2.896486|3.617516|2.176986|3.601736|2.737783|1.759408|1.632669|1.463949|1.401577|1.479175|1.653179|1.263683|1.634277|0.033468|1.141596|1.075642|1.031377|1.037843|1.090453|1.150506|1.655556|0.034291|0.119198|0.111352|0.108880|0.207788|0.173218|0.173696|0.208559|0.500000| |4.543686|6.852285|8.888196|17.680148|12.398938|5.692411|51.224155|9.519729|14.807106|4.657206|3.605140|2.946231|2.858185|3.311362|4.340815|2.344728|3.784885|3.002019|1.908667|1.736012|1.551343|1.499084|1.605892|1.813023|1.343216|1.742089|0.035661|1.218567|1.148945|1.101404|1.107316|1.162478|1.226713|1.761484|0.036407|0.111339|0.120308|0.108686|0.169571|0.207272|0.215479|0.173848|0.303166|0.500000| |3.082917|3.826477|4.937580|6.688462|12.227473|17.581280|45.558016|12.202908|8.155596|4.838616|4.434301|3.462685|3.044215|3.171188|3.867995|2.496460|4.227774|2.998856|1.908205|1.799345|1.592502|1.493882|1.554231|1.743517|1.338976|1.722445|0.035477|1.189693|1.113806|1.058916|1.061067|1.118821|1.192803|1.730177|0.035774|0.086795|0.079824|0.075538|0.110185|0.096980|0.118295|0.144841|0.208376|0.146025|0.500000| |2.947598|3.469925|4.684005|5.600413|12.330856|17.614541|48.760388|11.449473|8.233718|6.661266|6.198351|4.699562|4.038294|4.164528|5.112028|3.166983|5.329672|3.664360|2.273301|2.136464|1.852048|1.713612|1.781641|2.028802|1.514306|1.925944|0.039616|1.319673|1.223248|1.157261|1.162032|1.234581|1.326861|1.944143|0.040324|0.083896|0.079365|0.071124|0.094183|0.087966|0.122993|0.141611|0.146068|0.126873|0.300254|0.500000| |3.774862|4.573293|6.551839|7.217531|12.519663|17.641371|38.404598|8.543111|7.443517|4.682208|4.092376|3.388735|3.150737|3.404177|4.127623|2.595423|4.364238|3.136206|1.992266|1.875856|1.656391|1.552380|1.616370|1.817173|1.387698|1.766928|0.036114|1.222818|1.138465|1.086268|1.097367|1.164454|1.238909|1.806560|0.037661|0.110873|0.097513|0.088491|0.127122|0.108166|0.153357|0.229073|0.198302|0.144186|0.299444|0.303076|0.500000| |2.172687|2.486712|3.049374|3.633915|6.765124|5.075034|47.212055|13.804930|8.445718|8.945039|17.762632|8.884207|5.639596|4.945976|5.635572|4.140532|6.903876|4.546901|2.733019|2.531957|2.146766|1.969733|2.059403|2.389857|1.713140|2.205247|0.046159|1.488154|1.378954|1.284289|1.268736|1.341388|1.463896|2.143260|0.043714|0.059775|0.060331|0.054388|0.066693|0.067473|0.085720|0.084003|0.093989|0.096783|0.133191|0.174475|0.112507|0.500000| |1.872887|2.045784|2.438572|2.667937|4.553849|3.407487|27.731146|6.967097|5.847851|5.658790|8.904129|17.754251|8.934454|5.635638|4.943291|7.242630|13.104691|6.639303|3.835868|3.620480|2.895730|2.539067|2.609166|3.098560|2.140068|2.705697|0.057022|1.780960|1.617931|1.483259|1.460974|1.561887|1.742407|2.600372|0.052850|0.052028|0.053032|0.047217|0.054273|0.055414|0.070709|0.068288|0.068673|0.071546|0.087272|0.113969|0.083970|0.213530|0.500000| |2.415144|2.548828|3.086751|3.079411|4.942003|3.227800|27.885357|5.727157|6.820164|5.672685|4.942370|5.619362|8.831862|17.713125|8.990779|6.860236|8.722967|9.651511|4.892388|3.837510|3.086367|2.917879|3.309366|4.296793|2.384555|2.940945|0.059464|1.989148|1.786716|1.672366|1.695946|1.845741|2.029692|3.049078|0.063620|0.065749|0.072558|0.059566|0.063710|0.069796|0.099353|0.083675|0.073771|0.084692|0.077361|0.097781|0.084887|0.107409|0.123745|0.500000| |3.175064|3.585963|4.708920|4.907822|8.202729|4.519037|47.344434|8.080637|12.351026|8.909493|5.633558|4.943459|5.636608|8.922297|17.756443|4.083367|5.971302|5.258349|3.056781|2.611864|2.227686|2.136762|2.360424|2.833369|1.835001|2.331183|0.047506|1.605684|1.480751|1.402670|1.415185|1.510646|1.624800|2.379023|0.049347|0.083683|0.095188|0.076042|0.086666|0.099538|0.161552|0.118842|0.107801|0.138463|0.103894|0.128531|0.114520|0.124234|0.107412|0.216504|0.500000| |1.895109|1.986730|2.299430|2.343411|3.662217|2.486451|21.346614|4.748459|5.272569|4.043775|4.054012|5.077446|7.615612|7.449521|4.995216|9.360054|10.906804|26.045835|9.434282|5.757326|4.309096|4.091574|4.950580|7.674725|3.108387|3.812487|0.077898|2.498845|2.197300|2.004151|2.001970|2.191557|2.494694|3.801436|0.077450|0.051677|0.056098|0.047976|0.050855|0.055020|0.070914|0.062530|0.058290|0.065359|0.062300|0.075364|0.065093|0.093239|0.124769|0.241200|0.121555|0.500000| |1.521915|1.570085|1.782093|1.803609|2.794187|2.044357|15.479551|3.679906|3.642001|2.733360|3.007044|3.836519|4.506954|3.696642|2.941615|6.926704|15.690716|9.554874|8.877537|17.845791|8.965478|5.636216|4.939090|5.617587|4.136639|4.611366|0.094930|2.821297|2.367496|2.104653|2.100888|2.356765|2.812095|4.579785|0.093687|0.042570|0.044101|0.038991|0.041263|0.042644|0.052824|0.050213|0.046583|0.048940|0.052465|0.063066|0.054667|0.075065|0.112761|0.104611|0.072789|0.143344|0.500000| |1.308050|1.333131|1.477474|1.482509|2.232071|1.627095|12.242294|2.931916|2.945319|2.051646|2.189968|2.599132|2.918009|2.604370|2.194791|3.780563|7.424089|5.694027|5.657883|9.027273|17.695857|8.865303|5.624267|4.964986|7.105417|6.821623|0.135799|3.873048|3.041451|2.628605|2.625105|3.030484|3.861391|6.770848|0.134005|0.036535|0.037920|0.033930|0.035183|0.036408|0.043563|0.041477|0.038654|0.040536|0.042345|0.049020|0.043971|0.056223|0.075306|0.075363|0.056416|0.098558|0.218615|0.500000| |1.381323|1.402681|1.534190|1.530339|2.251915|1.571373|12.559048|2.927595|3.174124|2.069623|2.088125|2.373259|2.771422|2.719736|2.312673|3.284305|5.443673|5.782425|5.630033|4.926623|5.614195|8.796551|17.680412|9.042169|6.855375|8.557752|0.153507|5.633069|4.359823|3.777334|3.786467|4.387882|5.664413|8.650640|0.155806|0.037810|0.040752|0.036015|0.036482|0.039082|0.046128|0.041981|0.039343|0.042901|0.040750|0.046140|0.042311|0.052768|0.064577|0.083336|0.061716|0.117493|0.107245|0.123146|0.500000| |1.640392|1.686505|1.883496|1.890628|2.831826|1.936422|16.120765|3.668286|4.098953|2.774211|2.756989|3.202899|4.017551|4.049873|3.242940|4.798134|7.145317|10.026986|8.847271|5.616027|4.967320|5.653670|9.007766|17.726754|4.102270|5.065269|0.100638|3.331893|2.856225|2.575592|2.575673|2.856424|3.332333|5.067981|0.100682|0.044618|0.048727|0.042240|0.043383|0.047100|0.057572|0.051103|0.047775|0.053236|0.049502|0.057252|0.051563|0.067347|0.083898|0.129872|0.085329|0.234956|0.123563|0.107740|0.219619|0.500000| |1.183488|1.197691|1.306195|1.304278|1.926848|1.391483|10.542324|2.523727|2.584072|1.716839|1.792010|2.049474|2.273622|2.120349|1.839721|2.748408|5.081295|4.236395|4.001677|4.844124|7.455112|8.926718|5.566791|4.203770|17.575530|12.472369|0.206145|6.467454|4.439608|3.683762|3.684242|4.440762|6.468099|12.470832|0.206147|0.032904|0.034389|0.030970|0.031625|0.032928|0.038487|0.036426|0.034118|0.035959|0.036460|0.041237|0.037762|0.046445|0.058316|0.062060|0.048383|0.078764|0.115532|0.230616|0.138436|0.096436|0.500000| |1.025413|1.042116|1.114517|1.123064|1.625911|1.154323|9.027973|2.177154|2.274590|1.417661|1.453752|1.596069|1.723931|1.661402|1.502317|1.935220|3.412917|2.963577|2.527698|2.568347|2.996357|3.638630|3.526491|2.886737|4.454460|9.101269|0.187636|8.708366|17.749709|8.952295|5.472359|4.716972|5.397777|5.868744|0.098064|0.028130|0.029758|0.027177|0.027593|0.029112|0.032701|0.030574|0.029525|0.031528|0.030655|0.033561|0.031130|0.038250|0.044817|0.048166|0.040312|0.059372|0.063734|0.080223|0.109037|0.075687|0.110879|0.500000| |0.977777|0.984983|1.043324|1.041857|1.491160|1.056446|8.187480|1.964199|2.076206|1.268690|1.283037|1.388559|1.500919|1.475730|1.350717|1.651954|2.889337|2.514389|2.093618|2.096991|2.385027|2.836789|2.829706|2.385879|3.379752|5.721401|0.107477|5.700693|9.102217|17.727245|8.696435|5.579441|4.943587|5.083566|0.090221|0.026809|0.028446|0.026047|0.026065|0.027550|0.030622|0.028608|0.027423|0.029274|0.028057|0.030478|0.028688|0.033784|0.038585|0.043116|0.036732|0.051012|0.052703|0.064087|0.089020|0.064241|0.085558|0.214886|0.500000| |1.012550|1.010061|1.067606|1.054079|1.502560|1.064878|8.150947|1.938929|2.066216|1.263583|1.266711|1.368967|1.494570|1.487229|1.358808|1.643084|2.863401|2.510159|2.090271|2.093090|2.381562|2.836336|2.831716|2.385033|3.380218|5.084651|0.090231|4.944419|5.580314|8.696789|17.727004|9.102161|5.701276|5.721352|0.107484|0.027839|0.029594|0.026973|0.026647|0.028162|0.031449|0.029367|0.027685|0.029512|0.028143|0.030665|0.029129|0.033182|0.037753|0.043988|0.037216|0.050934|0.052576|0.063978|0.089274|0.064242|0.085571|0.122684|0.215678|0.500000| 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