Version2.0 2020-02-02T14:23:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)Cc1ccc(c(c1)N2CCN[C@@H](C2)S(=O)(=O)c3ccccc3)NS(=O)(=O)Cc4ccccc4 C39481838 RHF 6-31G(d) (6D,7F) CC(C)Cc1ccc(c(c1)N2CCN[C@@H](C2)S(=O)(=O)c3ccccc3)NS(=O)(=O)Cc4ccccc4 C01[X(C27H33N3O4S2)] 201 C1 614 CC(Cc1ccc(c(c1)N1CCN[C@@H](C1)S(=O)(=O)c1ccccc1)NS(=O)(=O)Cc1ccccc1)C CC(Cc1ccc(c(c1)N1CCN[C@@H](C1)S(=O)(=O)c1ccccc1)NS(=O)(=O)Cc1ccccc1)C CC(C)Cc1ccc(N[S](=O)(=O)Cc2ccccc2)c(c1)N3CCN[C@@H](C3)[S](=O)(=O)c4ccccc4 InChIKey=HCTYKJWTICGJNL-HHHXNRCGSA-N InChI=1S/C27H33N3O4S2/c1-21(2)17-23-13-14-25(29-35(31,32)20-22-9-5-3-6-10-22)26(18-23)30-16-15-28-27(19-30)36(33,34)24-11-7-4-8-12-24/h3-14,18,21,27-29H,15-17,19-20H2,1-2H3/t27-/m1/s1 InChI=1/C27H33N3O4S2/c1-21(2)17-23-13-14-25(29-35(31,32)20-22-9-5-3-6-10-22)26(18-23)30-16-15-28-27(19-30)36(33,34)24-11-7-4-8-12-24/h3-14,18,21,27-29H,15-17,19-20H2,1-2H3/t27-/m1/s1 CC(C)Cc1ccc(c(c1)N2CCN[C@@H](C2)S(=O)(=O)c3ccccc3)NS(=O)(=O)Cc4ccccc4 C01[X(C27H33N3O4S2)] 201 C01 614 CC(Cc1ccc(c(c1)N1CCN[C@@H](C1)S(=O)(=O)c1ccccc1)NS(=O)(=O)Cc1ccccc1)C CC(Cc1ccc(c(c1)N1CCN[C@@H](C1)S(c1ccccc1)(O)O)NS(=O)(=O)Cc1ccccc1)C CC(C)Cc1ccc(N[S](=O)(=O)Cc2ccccc2)c(c1)N3CCN[C@@H](C3)[S](O)(O)c4ccccc4 InChIKey=ISIJRDNDLGWELO-HHHXNRCGSA-N InChI=1S/C27H35N3O4S2/c1-21(2)17-23-13-14-25(29-35(31,32)20-22-9-5-3-6-10-22)26(18-23)30-16-15-28-27(19-30)36(33,34)24-11-7-4-8-12-24/h3-14,18,21,27-29,33-34H,15-17,19-20H2,1-2H3/t27-/m1/s1 InChI=1/C27H35N3O4S2/c1-21(2)17-23-13-14-25(29-35(31,32)20-22-9-5-3-6-10-22)26(18-23)30-16-15-28-27(19-30)36(33,34)24-11-7-4-8-12-24/h3-14,18,21,27-29,33-34H,15-17,19-20H2,1-2H3/t27-/m1/s1 4410.0434659920 -2299.3293458 1-A 22773.2767 140 474 614 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17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 6 6 6 6 6 6 6 6 6 6 7 6 6 7 6 1 6 16 8 8 6 6 6 6 6 6 7 16 8 8 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 1.00783 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 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 19016.1544 24760.6055 37950.3836 0.99667 -0.08120 -0.00747 0.08115 0.99668 -0.00629 0.00796 0.00566 0.99995 1 0.00455 0.00350 0.00228 0.09491 0.07289 0.04756 17.72 22.15 25.97 30.65 35.34 49.68 56.55 71.48 77.57 81.12 85.24 109.76 119.84 128.67 170.15 194.42 210.82 267.82 299.05 304.05 322.84 351.50 357.18 367.81 380.56 385.78 411.20 419.35 436.63 469.35 483.93 492.86 516.56 534.18 552.59 563.99 592.07 599.47 633.66 648.86 649.90 653.14 675.79 687.33 719.24 745.77 759.42 789.48 806.35 827.12 839.06 874.13 918.86 929.92 954.38 968.73 978.58 980.36 992.42 1033.28 1092.70 1108.31 1130.94 1149.63 1158.95 1200.99 1222.90 1246.40 1262.32 1286.09 1289.33 1294.74 1348.19 1357.93 1373.25 1374.70 1381.98 1398.40 1432.88 1437.61 1442.62 1457.52 1462.89 1472.42 1494.44 1504.25 1507.63 1536.79 1551.34 1568.28 1571.70 1575.36 1577.49 1583.20 1602.65 1617.49 1622.29 1628.27 1636.93 1655.29 1689.97 1701.90 1704.76 1706.20 1716.79 1737.72 1752.14 1764.90 1773.89 1790.77 1793.73 1804.96 1817.81 1843.81 1850.60 1869.84 1873.78 1874.89 1877.45 1889.83 1892.44 1922.84 1936.45 1938.56 1952.44 1981.31 1984.61 1995.80 2042.71 2053.97 2075.30 2081.23 2086.08 2096.08 2113.05 2124.40 2141.24 2142.12 2159.20 2191.91 2194.56 2204.96 2232.43 2243.47 2263.45 2265.46 2287.26 2301.85 2317.83 2334.61 2347.83 2352.31 2354.29 2365.27 2366.45 2373.01 2383.55 2384.13 2386.43 2396.08 2406.22 2425.65 2545.00 2567.16 2573.25 2581.90 2605.14 2607.77 4506.46 4553.90 4586.66 4594.29 4600.15 4612.57 4653.35 4660.31 4677.57 4691.53 4696.70 4703.93 4711.72 4716.14 4720.59 4767.15 4773.86 4798.41 4831.39 4843.86 4845.37 4850.36 4856.11 4867.11 4868.71 4871.78 4880.36 4881.79 4894.92 4910.64 4928.23 5388.94 5451.71 0.612604 0.644503 0.645447 0.543334 -2298.716742 -2298.684843 -2298.683899 -2298.786012 3.424887D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE CC(C)Cc1ccc(c(c1)N2CCN[C@@H](C2)S(=O)(=O)c3ccccc3)NS(=O)(=O)Cc4ccccc4 C39481838 RHF 6-31G(d) (6D,10F) C1 527.191250 |X|Y|Z| 110.380429 93.666157 42.615151 76.093274 28 6 7 16 23 3 2 |36.858105| |12.440301|36.858105| |7.561475|12.444791|36.858105| |7.565917|12.350209|7.468064|36.858105| |4.888416|7.395044|6.094668|12.576231|36.858105| |3.913766|5.365347|5.304572|7.523479|13.745672|36.858105| |3.103519|4.024198|4.075090|5.011737|7.932608|13.769140|36.858105| |2.887757|3.699821|3.605510|4.419068|6.812658|7.905450|13.763021|36.858105| |3.215118|4.197495|3.819637|4.995080|7.820880|6.818977|7.906925|13.592807|36.858105| |4.161231|5.840646|4.805462|7.563794|13.688232|7.984546|6.939586|7.954678|13.713299|36.858105| |2.777492|3.435118|3.129653|3.830311|5.092785|4.520629|5.140248|7.801727|13.411745|7.754339|53.358707| |2.562416|3.138159|2.988421|3.276697|4.131791|3.808348|4.332705|6.062435|7.858605|5.597947|17.745678|36.858105| |2.172194|2.548718|2.424969|2.644849|3.161071|2.963376|3.325806|4.342206|5.106016|4.014860|10.614494|12.492782|36.858105| |2.161015|2.480396|2.292655|2.574103|2.976296|2.707257|2.920964|3.664554|4.474989|3.792599|9.075143|7.674747|13.077517|53.358707| |2.306180|2.647795|2.378927|2.846953|3.319863|2.959554|3.163429|4.004579|5.122983|4.358830|10.777121|6.738209|7.978329|17.976180|36.858105| |2.135955|2.440424|2.219710|2.672172|3.144597|2.895266|3.171992|4.039964|4.861926|4.000642|9.723822|5.887334|7.099240|12.533889|17.585339|0.500000| |2.800625|3.337979|2.906703|3.692099|4.498494|3.784291|3.961463|5.169682|7.802864|6.644929|17.825550|7.882206|6.644709|10.419965|12.432313|0.246688|36.858105| |2.181855|2.404999|2.127250|2.550465|2.801220|2.474618|2.543141|3.009855|3.686403|3.476768|6.447017|4.237676|4.784389|9.805045|10.573995|0.225743|6.955831|388.023441| |2.266834|2.468450|2.142144|2.692525|2.915817|2.554642|2.581236|2.991877|3.643256|3.560845|5.950275|3.653756|3.818455|6.765421|7.303895|0.184990|6.357768|94.116021|73.516695| |2.245255|2.449833|2.164207|2.506280|2.684587|2.344002|2.366655|2.749311|3.370686|3.296735|5.704044|4.030857|4.467983|8.979016|7.294114|0.152308|5.809604|94.011475|13.571399|73.516695| |1.815582|1.975272|1.793312|2.083693|2.277347|2.085847|2.178271|2.541844|2.928862|2.708695|4.953224|3.446357|4.155310|7.947868|6.699102|0.184433|4.542363|76.584597|13.001192|12.948330|36.858105| |1.701208|1.838491|1.673928|1.967618|2.146331|1.994494|2.090030|2.409798|2.704089|2.501188|4.417729|2.992275|3.482426|6.014265|5.224754|0.160678|3.893904|49.710038|11.569497|8.836095|13.733330|36.858105| |1.514933|1.625835|1.499932|1.726757|1.871913|1.766123|1.856968|2.112446|2.308999|2.137205|3.686545|2.571657|3.004008|4.927378|3.945027|0.120713|3.087822|33.751572|7.878100|6.819245|7.972481|13.760602|36.858105| |1.439332|1.542501|1.435581|1.614651|1.744328|1.649602|1.734899|1.968566|2.143299|1.984859|3.424896|2.476868|2.954555|4.829423|3.595983|0.106016|2.817571|29.974107|6.579898|6.551254|6.925672|7.943503|13.744965|36.858105| |1.507185|1.621103|1.509069|1.677451|1.812805|1.700330|1.784291|2.038225|2.249865|2.084094|3.655579|2.714652|3.328297|5.663626|3.980354|0.111905|3.035352|33.702861|6.813446|7.790759|7.978137|6.850033|7.911980|13.736477|36.858105| |1.690025|1.831437|1.686582|1.895070|2.057952|1.900630|1.987458|2.300734|2.609786|2.416558|4.363996|3.225479|4.021604|7.538570|5.306328|0.141372|3.788940|49.514688|8.791805|11.345969|13.732648|7.875038|6.845123|7.939942|13.770529|36.858105| |2.379595|2.913722|2.897306|3.317117|4.505351|5.124101|7.797800|13.302317|7.765497|5.134417|9.185862|5.975999|4.668252|5.078752|3.926630|0.115463|4.553771|20.631416|5.011669|4.649937|2.560529|2.450946|2.182105|2.044470|2.105906|2.343913|53.358707| |2.074806|2.447153|2.409817|2.815385|3.599570|4.102131|5.666343|7.054875|5.153824|3.904013|6.582556|4.218953|3.759946|4.361107|3.457816|0.107288|3.761069|19.044481|4.745845|4.194990|2.460879|2.446672|2.212496|2.044490|2.051840|2.233579|15.681977|388.023441| |1.840266|2.139970|2.149159|2.382093|2.931617|3.303380|4.325211|5.048156|3.962910|3.138215|5.315842|3.739538|3.510278|4.001280|3.021536|0.093087|3.133255|16.990655|4.145937|3.804264|2.268419|2.255044|2.090706|1.967380|1.975037|2.111266|10.630423|94.499685|73.516695| |2.132431|2.497808|2.456043|2.958756|3.752446|4.495008|6.125183|6.342655|4.641409|3.812566|5.510101|3.449925|3.044957|3.693909|2.985229|0.090764|3.332889|17.251823|4.435124|3.828562|2.214241|2.228319|2.019746|1.853954|1.845390|1.999472|10.190681|94.699898|13.647857|73.516695| |2.002187|2.319901|2.207733|2.666258|3.310374|3.471540|4.301362|5.509866|4.948631|3.789272|7.213226|4.349774|4.198473|5.128327|4.318783|0.146685|4.422712|23.238788|5.848690|4.858644|3.047522|3.107340|2.755935|2.472476|2.440531|2.672932|9.654026|75.897618|12.849497|12.972403|36.858105| |1.776323|2.008180|1.914822|2.293314|2.728098|2.865816|3.389119|3.941942|3.613217|2.999054|5.154551|3.261762|3.269790|4.180589|3.476093|0.116845|3.432278|20.351110|5.239042|4.268634|2.799548|2.985519|2.736155|2.424659|2.320429|2.464985|6.394037|49.486701|10.440544|10.789602|12.621234|36.858105| |1.776531|1.983265|1.872332|2.297937|2.680809|2.808550|3.207346|3.547332|3.303543|2.874508|4.541009|2.825600|2.778704|3.667178|3.108565|0.101559|3.149258|19.137503|5.129066|4.026014|2.608667|2.833840|2.594849|2.267115|2.146049|2.273569|5.309478|38.071159|7.883992|9.937039|7.569935|13.716730|36.858105| |1.590712|1.746806|1.657997|1.995069|2.263557|2.364235|2.634847|2.831102|2.664620|2.386812|3.670992|2.361565|2.360161|3.151307|2.613431|0.083767|2.598868|16.748241|4.484872|3.574570|2.348853|2.595285|2.452544|2.149317|2.002319|2.076053|4.189955|28.496369|6.431798|7.496981|5.024714|7.916485|13.760762|36.858105| |1.452034|1.590000|1.524282|1.783538|2.012703|2.101708|2.350227|2.537834|2.387709|2.128890|3.346973|2.221957|2.270574|3.013316|2.432461|0.077902|2.358573|15.632293|4.083690|3.367477|2.255446|2.497162|2.430495|2.160665|1.997303|2.032287|3.846808|25.869841|6.277338|6.461255|4.440118|6.849841|7.939010|13.749867|36.858105| |1.451350|1.602085|1.546394|1.780666|2.031631|2.124770|2.418387|2.670037|2.495593|2.176804|3.568372|2.414354|2.513683|3.276210|2.594309|0.084102|2.468531|16.257580|4.134800|3.502602|2.373056|2.596479|2.543065|2.293700|2.133670|2.163506|4.203144|28.718811|7.362410|6.681572|5.026365|7.915151|6.881386|7.945358|13.751499|36.858105| |1.588411|1.778680|1.715914|1.986201|2.317292|2.429946|2.838188|3.244990|2.996945|2.527780|4.351353|2.917521|3.039494|3.868665|3.076940|0.102175|2.925440|18.417598|4.623867|3.924443|2.642302|2.835844|2.703156|2.438815|2.310442|2.390173|5.336376|38.604334|9.820974|8.237956|7.576667|13.714081|7.948576|6.881976|7.939410|13.758839|36.858105| |17.547548|8.772012|6.926010|5.485972|4.031541|3.355703|2.764289|2.610378|2.890443|3.599111|3.486944|2.429765|2.081928|2.819387|2.170612|0.055610|2.583607|14.704956|3.762427|3.844605|1.735915|1.617736|1.449430|1.388652|1.461774|1.634861|2.990841|13.619172|3.063648|3.460210|1.848998|1.646483|1.635908|1.474138|1.357505|1.362990|1.487853|0.500000| |17.543773|8.750818|5.485083|6.907630|4.593625|3.611899|2.924239|2.783823|3.162663|4.105519|3.793406|2.531397|2.174086|3.003093|2.389976|0.061233|2.905051|16.444896|4.340714|4.240380|1.904608|1.785660|1.580768|1.494446|1.562778|1.759516|3.142322|14.486077|3.198017|3.717727|2.007952|1.790289|1.802650|1.616210|1.469875|1.462533|1.596454|0.301635|0.500000| |17.523994|8.768889|6.818486|6.845701|4.496505|3.819221|3.005908|2.724677|2.935455|3.692336|3.434306|2.323271|1.988340|2.677267|2.100926|0.054837|2.515308|14.140384|3.696836|3.592413|1.681222|1.592916|1.428247|1.354751|1.408348|1.565176|3.082321|14.272955|3.172925|3.725924|1.918913|1.720724|1.735175|1.563002|1.424524|1.416017|1.540322|0.301693|0.301433|0.500000| |8.928004|17.505698|8.924448|8.887636|6.887451|4.864436|3.889988|3.794038|4.552050|6.436312|5.214865|3.544561|2.839182|3.790462|2.953365|0.073904|3.790196|18.997614|4.797284|4.932472|2.150992|1.970233|1.729536|1.646869|1.748587|1.998434|4.085350|17.618050|3.860899|4.385877|2.388585|2.045861|1.997951|1.753291|1.603056|1.626705|1.816452|0.213171|0.213496|0.173615|0.500000| |6.833914|8.775912|17.517967|6.763406|5.422806|5.150804|3.909694|3.331383|3.393467|4.137491|3.795842|2.640483|2.184690|2.815042|2.156793|0.056708|2.593124|13.827371|3.515342|3.481080|1.662170|1.568941|1.414636|1.351061|1.409530|1.561842|3.699470|16.491817|3.689316|4.291962|2.104597|1.850288|1.826905|1.628541|1.494768|1.507051|1.660140|0.169980|0.139452|0.201809|0.173623|0.500000| |5.482598|8.738805|17.571510|6.773013|6.761672|6.240358|4.866272|4.247067|4.394248|5.368477|4.759935|3.387392|2.671988|3.352536|2.531835|0.065782|3.114269|15.662813|3.897033|3.954099|1.859671|1.731395|1.550878|1.486291|1.565270|1.751460|4.556961|19.137297|4.260787|4.821698|2.409022|2.056394|1.985005|1.742912|1.605694|1.642192|1.839927|0.141234|0.122416|0.139285|0.212817|0.301430|0.500000| |6.934544|8.790024|17.545545|5.452057|4.639689|4.121724|3.390776|3.109377|3.311130|3.998091|3.857405|2.788080|2.304133|2.978915|2.232750|0.057555|2.668684|14.380429|3.581315|3.717282|1.717224|1.594839|1.436806|1.385849|1.464182|1.632581|3.523679|15.441045|3.504072|3.884401|2.008846|1.756077|1.710625|1.527813|1.416595|1.441558|1.592102|0.209048|0.141441|0.169592|0.213639|0.301706|0.301847|0.500000| |6.863757|8.839656|6.872447|17.532201|8.922124|7.267507|4.768671|3.976735|4.178941|5.622611|4.453392|2.844388|2.348995|3.097215|2.499190|0.066356|3.125477|16.081684|4.263399|3.925280|1.892172|1.809908|1.605481|1.501327|1.547747|1.727864|4.184424|19.131016|4.076322|5.170389|2.505867|2.197496|2.229818|1.955393|1.745052|1.728886|1.910020|0.140311|0.168895|0.203601|0.174248|0.203686|0.169170|0.140430|0.500000| |7.159529|8.855519|5.485029|17.531544|8.955111|5.802301|4.288428|4.000150|4.691544|7.002865|5.139442|3.158117|2.609792|3.557218|2.960781|0.076873|3.859693|19.408006|5.263966|4.750071|2.196803|2.080164|1.809711|1.678938|1.739132|1.974237|4.203156|19.137151|4.037402|5.018165|2.645630|2.299398|2.333568|2.030654|1.803696|1.786999|1.983267|0.144151|0.216053|0.176287|0.212079|0.140335|0.138615|0.123164|0.304072|0.500000| |3.918190|5.122993|5.370824|6.944410|8.905556|17.720285|8.944610|5.641313|4.924281|5.657492|4.902608|3.150579|2.545039|3.197192|2.540682|0.069383|3.132612|15.540635|4.028626|3.707904|1.873512|1.805281|1.615719|1.513685|1.553433|1.719146|5.671682|25.320431|5.279725|7.156379|3.011472|2.581388|2.571689|2.212277|1.973806|1.977791|2.222159|0.093123|0.098427|0.111365|0.122029|0.158842|0.167873|0.114998|0.220659|0.147722|0.500000| |2.736997|3.408900|3.566362|4.083926|5.646092|8.924465|17.745021|8.980193|5.642900|4.988987|5.685289|3.702548|2.978418|3.550399|2.779888|0.078667|3.317416|16.161816|4.092748|3.761297|1.997701|1.937307|1.745644|1.636588|1.672368|1.838092|9.817277|42.023022|8.320746|12.241949|4.126175|3.367065|3.188804|2.653904|2.385382|2.457105|2.863016|0.068665|0.071482|0.075069|0.090549|0.098236|0.116402|0.084346|0.113203|0.098852|0.215825|0.500000| |4.437312|6.002462|4.573968|7.089126|8.966339|5.680651|4.988318|5.653255|8.940275|17.740095|9.679567|5.342764|3.999980|5.447115|4.679709|0.113781|7.448445|27.649801|7.111048|6.734684|2.901227|2.630785|2.220193|2.063077|2.186396|2.574430|5.662521|23.629129|4.895422|5.717050|3.385023|2.750529|2.654978|2.239348|2.008979|2.048165|2.351807|0.107119|0.126968|0.105171|0.202014|0.107525|0.134095|0.109715|0.142660|0.205563|0.124535|0.108165|0.500000| |2.775963|3.428890|3.257915|3.423434|4.180087|3.709587|3.989116|5.148883|6.799969|5.633709|12.283908|17.418519|8.829969|9.234493|5.823199|0.134209|7.043068|28.910472|6.209035|7.374632|3.239859|2.773365|2.394208|2.332038|2.588149|3.089697|6.445522|24.761008|5.573085|5.312818|3.519213|2.768113|2.468622|2.103292|1.980556|2.123986|2.502400|0.074054|0.075834|0.068678|0.111537|0.078046|0.102497|0.085822|0.081193|0.091184|0.086168|0.094424|0.158552|0.500000| |2.466248|3.037770|3.006856|3.172013|4.062009|3.972687|4.768608|6.789038|7.378741|5.150760|12.449874|17.644459|8.879747|7.625454|5.029677|0.132120|5.697238|24.551906|5.474130|5.839973|2.952765|2.642257|2.327745|2.252435|2.434054|2.801628|9.991784|33.498849|7.630760|6.635763|4.433180|3.298680|2.818376|2.357717|2.234300|2.450399|2.980931|0.065093|0.066575|0.062927|0.092989|0.074509|0.096983|0.077689|0.077992|0.082819|0.091523|0.115522|0.128529|0.301603|0.500000| |2.049761|2.382158|2.308376|2.413322|2.821008|2.671221|2.965259|3.708967|4.181017|3.452705|7.664032|8.834954|17.581227|12.518959|5.749816|0.144130|4.977947|28.750628|5.781729|7.126697|3.683790|3.094026|2.757622|2.797444|3.205406|3.776059|5.443883|23.275497|5.657336|4.790369|3.499654|2.839584|2.438237|2.116135|2.064210|2.289307|2.714697|0.055303|0.056615|0.052187|0.073678|0.057787|0.070617|0.061894|0.060033|0.065651|0.064836|0.075119|0.095960|0.216006|0.210256|0.500000| |2.015849|2.348529|2.250437|2.482626|2.983771|2.881731|3.322625|4.369551|4.799805|3.690077|9.473433|8.886838|17.567669|12.514876|7.075225|0.208806|5.751294|31.218090|6.470476|6.905756|4.080573|3.578838|3.136155|3.053967|3.342626|3.896973|6.927869|30.540489|7.274576|5.920050|5.014982|3.820262|3.113606|2.618935|2.546938|2.889826|3.601634|0.053398|0.056013|0.051910|0.071148|0.057188|0.068832|0.059025|0.062220|0.068043|0.069145|0.084368|0.099252|0.173789|0.218184|0.302450|0.500000| |2.245931|2.564266|2.357452|2.597668|2.938892|2.626212|2.764941|3.378641|4.174792|3.728085|7.931030|6.890376|9.365686|25.845867|9.486533|0.182781|6.950997|49.440043|8.458094|13.778953|5.343564|3.979180|3.303959|3.299836|3.956296|5.320123|4.531281|20.151251|4.642510|4.372856|3.207420|2.670166|2.395608|2.085629|1.991816|2.139547|2.478557|0.060378|0.063863|0.056203|0.081362|0.058514|0.069848|0.063235|0.063312|0.073424|0.063672|0.068376|0.112958|0.197030|0.141305|0.228113|0.182026|0.500000| |2.865342|3.368568|2.867854|3.907422|4.715307|3.921683|4.012996|5.039629|7.281027|6.763479|12.459324|5.690067|4.963203|7.608192|8.820785|0.216181|17.641091|46.137889|12.778439|9.144627|4.329465|3.929645|3.085091|2.736655|2.861576|3.493730|5.887188|26.835316|5.443727|6.194564|4.557961|3.614598|3.444888|2.810599|2.487833|2.547409|2.991520|0.072096|0.083918|0.072168|0.103468|0.072177|0.083955|0.072198|0.092337|0.117740|0.090469|0.093216|0.209736|0.143573|0.127524|0.109168|0.128893|0.142550|0.500000| |3.078691|3.668999|3.118792|3.887543|4.517000|3.645638|3.645120|4.497703|6.651081|6.633458|12.177252|7.018055|5.821633|9.354803|8.873596|0.174347|17.464319|46.951992|10.488843|11.544280|4.208415|3.521144|2.838861|2.645112|2.901834|3.643208|5.273550|22.658618|4.850872|5.144190|3.552496|2.872677|2.683521|2.272862|2.080176|2.162909|2.507755|0.079552|0.089506|0.075010|0.120863|0.075754|0.091596|0.080524|0.089328|0.113929|0.084865|0.084920|0.238293|0.207929|0.142952|0.131016|0.133033|0.202494|0.300857|0.500000| |1.768855|1.910367|1.725013|2.076982|2.266859|2.102213|2.194693|2.521084|2.831923|2.636214|4.550518|2.963712|3.316065|5.554136|5.147145|0.162774|4.056322|47.580185|13.410912|8.201149|8.917530|17.752960|8.888794|5.641809|4.943169|5.625756|3.452116|18.251089|4.124981|4.216812|3.321625|3.229817|3.149753|2.866985|2.693469|2.740305|2.984556|0.046330|0.051834|0.046152|0.056510|0.045079|0.049425|0.045320|0.053165|0.061560|0.052808|0.056353|0.076869|0.075923|0.072968|0.080621|0.095099|0.102048|0.119680|0.100068|0.500000| |1.442707|1.541260|1.425464|1.646037|1.778492|1.691964|1.778755|2.002110|2.156544|2.003823|3.370618|2.330222|2.659575|4.205407|3.391918|0.104928|2.772596|27.883434|6.905968|5.732815|5.660951|8.930208|17.729317|8.905108|5.634060|4.938479|2.821919|15.243799|3.610998|3.519955|2.670495|2.738165|2.645050|2.559610|2.556964|2.638523|2.732800|0.038265|0.041800|0.038027|0.045159|0.037587|0.040858|0.037860|0.042852|0.047933|0.043267|0.046787|0.057351|0.060184|0.059444|0.068005|0.077891|0.078605|0.078379|0.070675|0.214270|0.500000| |1.331390|1.420272|1.330725|1.482776|1.594909|1.520277|1.599004|1.796648|1.929585|1.792783|3.032024|2.207729|2.598921|4.097141|3.012384|0.088744|2.442592|24.213663|5.471738|5.450658|4.979325|5.651397|8.925589|17.717887|8.922952|5.650573|2.551719|13.448282|3.274330|3.065416|2.254042|2.246728|2.110223|2.034312|2.073908|2.201301|2.298634|0.035775|0.038288|0.034972|0.041891|0.034945|0.038229|0.035772|0.038548|0.042670|0.039009|0.042226|0.051432|0.057938|0.056620|0.069383|0.075043|0.078447|0.066172|0.064053|0.124070|0.215042|0.500000| |1.430757|1.534003|1.439352|1.572120|1.690997|1.592802|1.669489|1.893475|2.072844|1.927682|3.328885|2.526467|3.086848|5.077028|3.431703|0.095034|2.705787|27.828548|5.716327|6.815679|5.663370|4.941004|5.635155|8.905408|17.729071|8.934635|2.669139|13.523694|3.294425|3.044254|2.211853|2.104616|1.944353|1.825722|1.834466|1.965595|2.116182|0.038787|0.041039|0.037172|0.045941|0.037365|0.041465|0.039028|0.040410|0.045018|0.040616|0.043672|0.056024|0.067685|0.063660|0.085220|0.085492|0.100921|0.070361|0.072930|0.107374|0.123989|0.215101|0.500000| |1.746845|1.896663|1.749975|1.934325|2.094095|1.921228|1.999693|2.315289|2.651372|2.470439|4.452429|3.405576|4.287767|8.264490|5.293286|0.131866|3.856954|47.272243|8.109338|12.910895|8.918943|5.626794|4.941857|5.641613|8.895009|17.771276|3.185557|15.505400|3.673918|3.464503|2.543952|2.306917|2.122208|1.929338|1.884401|2.008356|2.228970|0.047260|0.050396|0.044646|0.058065|0.044704|0.050521|0.047367|0.048709|0.055727|0.048207|0.051166|0.073768|0.093018|0.081290|0.115339|0.110197|0.175782|0.095805|0.106804|0.124109|0.107352|0.124087|0.214386|0.500000| |2.268306|2.765309|2.836292|3.048282|4.006905|4.612091|6.736731|9.161214|6.094264|4.403414|7.492116|5.548834|4.426443|4.702370|3.468298|0.100239|3.893283|18.658629|4.467730|4.299232|2.355751|2.243456|2.027763|1.928452|1.997443|2.202413|25.899770|61.918915|14.089194|10.895799|5.522469|4.022205|3.363623|2.757493|2.596408|2.864968|3.564358|0.058904|0.060494|0.060132|0.079020|0.074066|0.092152|0.071283|0.079261|0.077864|0.108152|0.188258|0.101718|0.126336|0.205715|0.110621|0.133025|0.086947|0.100816|0.095636|0.063649|0.053522|0.049496|0.052262|0.061608|0.500000| |2.199100|2.563949|2.383895|3.016191|3.804109|3.870700|4.681856|6.134072|5.913069|4.489382|8.527432|4.622332|4.287317|5.449098|4.918839|0.166942|5.359699|26.127730|6.799385|5.353007|3.267797|3.314926|2.846392|2.514734|2.492947|2.787836|9.255917|58.160434|9.691292|12.033719|17.617260|8.819517|7.127894|4.719291|3.969417|4.199191|5.636079|0.055822|0.061793|0.058239|0.073548|0.062793|0.071850|0.059704|0.077736|0.084389|0.091292|0.118604|0.110965|0.104591|0.124949|0.097064|0.135219|0.095155|0.163033|0.115033|0.100918|0.076129|0.062950|0.062183|0.073733|0.141720|0.500000| |1.942668|2.249943|2.149801|2.523284|3.102968|3.183687|3.888238|5.106286|4.822463|3.639322|7.740740|4.956103|5.125010|6.031949|4.899364|0.172608|4.680742|25.095989|6.033416|5.225570|3.356425|3.357985|2.982085|2.710362|2.706978|2.977321|9.251335|58.338259|12.199994|9.735577|17.632776|8.811052|5.653250|4.206541|3.968570|4.706081|7.084295|0.050322|0.054094|0.051302|0.065295|0.056365|0.065360|0.054938|0.065179|0.069463|0.076694|0.102583|0.092219|0.107461|0.139588|0.116026|0.185235|0.101140|0.126451|0.103498|0.096928|0.078866|0.068173|0.068058|0.078763|0.155148|0.301539|0.500000| |1.935242|2.166163|2.020251|2.566131|3.008324|3.141908|3.538627|3.856595|3.619529|3.201771|4.818861|2.900822|2.773616|3.691420|3.199638|0.102691|3.373068|19.783153|5.440171|4.161062|2.608869|2.804584|2.515408|2.191267|2.093698|2.249897|5.471707|37.505057|7.304155|10.586085|7.021457|8.913664|17.718481|8.927308|5.648606|4.956510|5.649781|0.049010|0.054770|0.052603|0.060250|0.054869|0.059262|0.050802|0.069302|0.072996|0.079562|0.096163|0.081581|0.070938|0.079655|0.067155|0.084403|0.067600|0.105929|0.079707|0.087824|0.070658|0.056277|0.052613|0.058701|0.094321|0.214569|0.143670|0.500000| |1.569738|1.706605|1.613278|1.955552|2.183187|2.271770|2.477257|2.603319|2.472923|2.269671|3.359749|2.158785|2.139291|2.887148|2.400249|0.075516|2.415030|15.754381|4.285546|3.389847|2.195699|2.430629|2.299366|2.013210|1.873200|1.940520|3.739395|24.454995|5.495969|6.660607|4.098044|5.639504|8.930351|17.719501|8.909226|5.647155|4.956838|0.040325|0.044467|0.043084|0.047288|0.044275|0.046726|0.041288|0.053681|0.055655|0.059747|0.069246|0.059515|0.054160|0.059590|0.053594|0.064792|0.053731|0.073293|0.059458|0.075122|0.067095|0.053115|0.047550|0.050199|0.068749|0.112084|0.096972|0.215705|0.500000| |1.352637|1.467980|1.410275|1.635557|1.820348|1.895624|2.090477|2.225777|2.108040|1.909042|2.943824|1.976665|2.023579|2.704284|2.162964|0.068210|2.094968|14.190795|3.709782|3.091110|2.064527|2.292027|2.267776|2.030238|1.866166|1.878248|3.325506|21.614963|5.325026|5.462240|3.550301|4.939830|5.645922|8.912107|17.715613|8.912393|5.645923|0.035242|0.038063|0.036982|0.041017|0.038553|0.041053|0.036567|0.044668|0.046009|0.049943|0.059082|0.050391|0.049536|0.055153|0.051681|0.062319|0.050160|0.061225|0.052033|0.068293|0.067003|0.054778|0.047914|0.048413|0.063190|0.090382|0.090368|0.124204|0.214715|0.500000| |1.351733|1.485108|1.441923|1.631755|1.845607|1.926227|2.177749|2.389606|2.243935|1.971569|3.222627|2.231714|2.352482|3.063197|2.374016|0.075952|2.236069|15.045417|3.778087|3.282564|2.231108|2.432290|2.436282|2.237185|2.075830|2.072184|3.756189|24.706773|6.604945|5.704172|4.099687|5.638685|4.956484|5.646996|8.909491|17.718847|8.929167|0.035466|0.037772|0.036643|0.041943|0.039047|0.042489|0.037574|0.044052|0.045377|0.050099|0.061656|0.051838|0.054981|0.063140|0.060497|0.074920|0.055901|0.063301|0.055100|0.070059|0.070460|0.060503|0.053653|0.053522|0.072691|0.096753|0.111694|0.107586|0.124093|0.214710|0.500000| |1.564929|1.759375|1.710798|1.939546|2.269292|2.376962|2.798072|3.248287|2.996712|2.495229|4.439518|3.085870|3.294057|4.083525|3.139209|0.103833|2.931499|18.436435|4.500824|3.968195|2.669572|2.807963|2.698565|2.490072|2.389445|2.463245|5.525081|38.431925|10.802535|7.644279|7.032074|8.913230|5.649950|4.956720|5.648470|8.925544|17.717268|0.040956|0.043506|0.041987|0.050216|0.045749|0.051261|0.044323|0.051546|0.053427|0.060174|0.078418|0.064557|0.072824|0.088802|0.082536|0.111586|0.072095|0.080998|0.070046|0.080043|0.074639|0.065315|0.061280|0.064233|0.105357|0.143004|0.211988|0.124181|0.107591|0.124195|0.215648|0.500000| 2296.710552 -14224.557793 5473.969100 -255.495043 -6709.373183 4410.043783 -2299.329400 2.001140 3D5440000000001D 455D1F2EAA80EB84 44DAA02AAA847F8F 4289DB1146400004 37F30E49A6DFF8C0 449A492E67F05D6C