Version2.1 2020-12-28T09:42:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(nc1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C5CCCCCC5=N[C@@H]4C=C3 C63634394 RHF 6-31G(d) (6D,7F) Cc1ccc(nc1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C5CCCCCC5=N[C@@H]4C=C3 C01[X(C25H30N4O3S1)] 183 C1 559 Cc1ccc(nc1)NC(=O)C1CCN(CC1)S(=O)(=O)C1=CC2=C3CCCCCC3=N[C@@H]2C=C1 Cc1ccc(nc1)NC(=O)C1CCN(CC1)S(=O)(=O)C1=CC2=C3CCCCCC3=N[C@@H]2C=C1 Cc1ccc(NC(=O)C2CCN(CC2)[S](=O)(=O)C3=CC4=C5CCCCCC5=N[C@@H]4C=C3)nc1 InChIKey=XASBFDQEPVUAOL-HSZRJFAPSA-N InChI=1S/C25H30N4O3S/c1-17-7-10-24(26-16-17)28-25(30)18-11-13-29(14-12-18)33(31,32)19-8-9-23-21(15-19)20-5-3-2-4-6-22(20)27-23/h7-10,15-16,18,23H,2-6,11-14H2,1H3,(H,26,28,30)/t23-/m1/s1 InChI=1/C25H30N4O3S/c1-17-7-10-24(26-16-17)28-25(30)18-11-13-29(14-12-18)33(31,32)19-8-9-23-21(15-19)20-5-3-2-4-6-22(20)27-23/h7-10,15-16,18,23H,2-6,11-14H2,1H3,(H,26,28,30)/t23-/m1/s1/f/h28H Cc1ccc(nc1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C5CCCCCC5=N[C@@H]4C=C3 C01[X(C25H30N4O3S1)] 183 C01 559 Cc1ccc(nc1)NC(=O)C1CCN(CC1)S(=O)(=O)C1=CC2=C3CCCCCC3=N[C@@H]2C=C1 C[C]1[CH][CH][C]([N][CH]1)NC(=O)[C@@H]1CCN(CC1)S(=O)(=O)C1=CC2=C3CCCCCC3=N[C@@H]2C=C1 C[C]1[CH][CH][C]([N][CH]1)NC(=O)[C@@H]2CCN(CC2)[S](=O)(=O)C3=CC4=C5CCCCCC5=N[C@@H]4C=C3 InChIKey=XASBFDQEPVUAOL-HSZRJFAPSA-N InChI=1S/C25H30N4O3S/c1-17-7-10-24(26-16-17)28-25(30)18-11-13-29(14-12-18)33(31,32)19-8-9-23-21(15-19)20-5-3-2-4-6-22(20)27-23/h7-10,15-16,18,23H,2-6,11-14H2,1H3,(H,26,28,30)/t23-/m1/s1 InChI=1/C25H30N4O3S/c1-17-7-10-24(26-16-17)28-25(30)18-11-13-29(14-12-18)33(31,32)19-8-9-23-21(15-19)20-5-3-2-4-6-22(20)27-23/h7-10,15-16,18,23H,2-6,11-14H2,1H3,(H,26,28,30)/t23-/m1/s1/f/h28H 3426.4750280233 -1803.9926988 1-A 27652.5503 124 435 559 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298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 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 6 6 6 6 6 7 6 7 6 8 6 6 6 7 6 6 16 8 8 6 6 6 6 6 6 6 6 6 6 7 6 1 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 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 1.00783 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 8713.8147 43303.8347 47935.5548 0.99997 -0.00730 0.00387 0.00734 0.99990 -0.01210 -0.00378 0.01213 0.99992 1 0.00994 0.00200 0.00181 0.20711 0.04168 0.03765 7.72 18.98 26.55 43.13 65.70 78.09 86.59 94.39 105.31 120.14 143.27 181.60 197.82 215.44 232.51 265.64 285.41 305.75 319.46 359.91 363.99 381.33 407.03 424.10 454.77 479.92 487.61 499.34 523.64 546.25 563.04 576.78 609.62 617.65 632.31 678.32 714.68 724.94 731.26 741.79 789.01 813.11 829.33 840.49 848.08 851.23 909.38 960.34 973.47 986.05 1012.21 1015.50 1072.66 1113.74 1154.95 1162.53 1167.39 1190.78 1204.85 1219.05 1243.49 1252.85 1263.91 1293.12 1307.71 1364.82 1373.72 1380.86 1387.03 1416.22 1461.93 1472.54 1485.61 1489.42 1521.42 1526.49 1531.45 1552.77 1567.93 1571.05 1591.66 1597.65 1616.53 1617.94 1626.52 1637.25 1665.31 1693.01 1696.81 1698.98 1728.21 1731.77 1750.02 1765.75 1776.92 1782.86 1810.41 1836.76 1838.12 1846.25 1859.77 1876.95 1887.79 1891.47 1917.19 1934.83 1952.48 1973.43 2011.81 2012.82 2021.43 2032.24 2050.97 2075.86 2077.31 2080.36 2099.97 2108.20 2111.34 2144.34 2160.20 2161.41 2172.09 2183.48 2189.01 2194.59 2205.97 2218.87 2225.86 2232.98 2251.49 2261.44 2272.07 2336.83 2342.04 2345.94 2346.74 2350.56 2362.27 2363.43 2375.22 2377.03 2383.40 2384.25 2397.32 2457.00 2550.28 2585.38 2594.16 2624.61 2652.11 2723.95 2816.32 4503.35 4578.29 4589.10 4593.85 4597.52 4600.08 4608.10 4610.98 4614.46 4617.04 4634.05 4638.63 4639.58 4662.43 4672.49 4675.40 4683.16 4716.41 4716.99 4719.15 4730.52 4747.53 4820.73 4834.11 4836.29 4871.98 4906.87 4913.81 4992.71 5577.74 0.565784 0.593545 0.594489 0.502295 -1803.426914 -1803.399154 -1803.398210 -1803.490404 3.092202D-04 MUNgauss RevisionA2.0 retrievium 28-Dec-2020 DUDE Cc1ccc(nc1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C5CCCCCC5=N[C@@H]4C=C3 C63634394 RHF 6-31G(d) (6D,10F) C1 466.203863 |X|Y|Z| 150.101778 61.676753 36.303921 69.527021 29 6 7 16 24 4 1 |36.858105| |12.625446|36.858105| |7.501637|13.676936|36.858105| |5.005357|7.896001|13.831863|36.858105| |4.490872|6.968717|8.056388|13.665696|36.858105| |5.054809|7.965103|6.956216|8.006553|14.492047|53.358707| |7.530762|13.794938|8.106775|7.037264|8.394009|19.591793|36.858105| |3.380060|4.612724|5.167888|7.706961|13.591824|11.457973|5.446421|53.358707| |2.859879|3.691204|4.312105|6.240934|7.629868|7.242965|4.017197|19.070464|36.858105| |2.840831|3.615467|4.477408|6.557022|6.517473|6.186733|3.690141|11.464279|15.873714|73.516695| |2.370554|2.918523|3.229529|4.187012|5.016483|5.582081|3.218967|10.669202|12.514412|14.254518|36.858105| |2.155694|2.591298|2.858857|3.572826|4.046286|4.654825|2.800863|7.523796|7.609149|11.268058|12.405627|36.858105| |1.856805|2.172955|2.340559|2.800334|3.131526|3.793988|2.348398|5.463803|4.931355|7.695867|7.539999|12.498911|36.858105| |1.747658|2.028025|2.196453|2.609561|2.854342|3.449831|2.164778|4.876100|4.465363|7.296359|6.592538|7.802148|12.958242|53.358707| |1.838509|2.149565|2.323304|2.782017|3.091821|3.730238|2.314206|5.386361|4.930523|7.789688|7.555287|6.547659|7.745896|17.683835|36.858105| 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|17.544341|8.835966|6.647636|4.572255|4.005626|5.881936|5.869916|4.223911|2.690048|4.817567|2.244790|2.086007|1.798753|2.294209|1.750306|2.010065|10.464315|2.497648|2.543978|1.408027|1.321956|1.266337|1.220601|1.194041|1.191554|1.101958|1.071672|1.136113|1.191974|1.650285|1.256563|0.033089|1.363225|1.441494|0.500000| |17.574194|8.855739|5.554235|4.174251|4.035397|6.546754|7.223180|4.277958|2.642224|4.573098|2.243547|2.044165|1.783103|2.279400|1.762915|2.013384|10.413260|2.518574|2.512777|1.390218|1.313883|1.251841|1.210502|1.195801|1.194189|1.100690|1.062671|1.118094|1.172323|1.611022|1.228787|0.032361|1.322242|1.403415|0.302049|0.500000| |17.544159|8.835753|6.648408|4.572375|4.005337|5.881228|5.868983|4.223545|2.689673|4.817999|2.243196|2.028941|1.761185|2.286982|1.778574|2.056139|10.431376|2.508724|2.502670|1.415164|1.340517|1.289166|1.252924|1.235098|1.243989|1.148223|1.108072|1.171331|1.221947|1.678873|1.270563|0.033287|1.368396|1.440897|0.302106|0.302044|0.500000| |6.923151|8.889834|17.693265|8.985604|5.695013|6.796304|5.707529|5.662512|3.723899|7.168252|2.872378|2.601199|2.158728|2.787719|2.148571|2.582737|12.388202|2.904950|2.973468|1.691680|1.573712|1.513388|1.454523|1.408993|1.411019|1.292869|1.257430|1.352315|1.426261|1.983543|1.508951|0.039206|1.662170|1.759285|0.187389|0.139383|0.187436|0.500000| |4.069576|5.618642|8.885330|17.836222|8.870956|7.770193|5.047039|9.454992|6.770149|14.971417|4.402777|3.807517|2.936376|3.772052|2.933628|3.799746|15.944794|3.655153|3.772439|2.165056|1.970498|1.869513|1.768756|1.693197|1.676196|1.507468|1.466185|1.597038|1.718078|2.404932|1.859552|0.047685|2.098888|2.270853|0.107259|0.095785|0.107265|0.214603|0.500000| |6.933542|8.917254|5.700232|5.036401|5.919051|12.753289|17.695326|6.036488|3.396547|5.515101|2.862932|2.526389|2.172339|2.728095|2.137971|2.471888|12.212499|2.970219|2.923389|1.593191|1.496288|1.401527|1.344472|1.332343|1.317459|1.198734|1.151577|1.210150|1.283313|1.759781|1.359725|0.035722|1.468744|1.585784|0.151182|0.219975|0.151150|0.124405|0.109122|0.500000| |3.172884|4.196472|4.363564|5.778313|9.513004|11.244499|5.249117|26.050359|9.379906|10.835585|7.549135|5.353125|4.093497|4.886446|4.002592|5.149370|19.692451|4.695957|4.552805|2.440152|2.213783|1.990292|1.855451|1.818598|1.750922|1.542031|1.477798|1.572769|1.723581|2.374228|1.895855|0.049061|2.103036|2.382320|0.080576|0.084457|0.080559|0.099089|0.142817|0.125465|0.500000| |2.365629|2.904125|3.096444|3.900960|4.931511|5.861807|3.316742|10.479969|8.859597|10.450089|17.509773|8.878203|6.858913|7.903044|6.865758|8.880238|28.255811|6.655245|6.221829|3.269195|2.878766|2.475099|2.246833|2.185858|2.045288|1.763878|1.690901|1.806788|2.032261|2.803235|2.307342|0.059293|2.590612|3.071484|0.061722|0.063186|0.061814|0.075560|0.108311|0.083538|0.248959|0.500000| |2.247350|2.709870|2.952520|3.658784|4.220140|4.944209|2.961917|7.681808|6.874472|10.059217|8.785126|17.535978|8.915646|7.680839|4.900402|5.510665|28.431479|6.081804|7.101413|3.252882|2.723021|2.369333|2.100177|1.970178|1.824013|1.610992|1.588929|1.722573|1.951628|2.782269|2.320522|0.060762|2.716532|3.270039|0.060806|0.059430|0.057942|0.073971|0.105537|0.074412|0.155592|0.214752|0.500000| |2.128018|2.542320|2.871994|3.592080|3.842974|4.331534|2.670049|6.748628|7.090469|12.426299|8.866322|17.581720|8.877517|9.545598|5.746728|6.860585|32.655385|6.482948|7.888342|4.003567|3.210644|2.814565|2.450676|2.236186|2.064135|1.808860|1.798121|1.993135|2.295891|3.329540|2.811576|0.071973|3.463361|4.297649|0.057703|0.055456|0.055985|0.073976|0.110761|0.066389|0.126020|0.174339|0.302025|0.500000| |1.840194|2.147637|2.267307|2.680720|3.071356|3.833252|2.362169|5.351531|4.512894|6.793058|6.767615|8.822399|17.489628|12.279924|6.949229|5.709906|44.717419|9.915761|10.506277|4.162454|3.444738|2.788950|2.416806|2.295906|2.052839|1.781605|1.744257|1.862034|2.151338|3.021053|2.601649|0.068670|2.955421|3.712795|0.049291|0.049589|0.048311|0.057627|0.076197|0.061477|0.116882|0.201538|0.215844|0.173585|0.500000| |1.747522|2.019845|2.172928|2.555874|2.794424|3.417751|2.158094|4.675990|4.101187|6.713737|5.502712|8.856680|17.687755|12.460797|5.651394|4.910054|49.452122|9.033221|14.488790|4.732217|3.637820|2.982084|2.511845|2.294866|2.037522|1.789878|1.792070|1.949560|2.284374|3.309971|2.915127|0.077670|3.491651|4.572944|0.047478|0.046637|0.046019|0.056287|0.074669|0.055743|0.096201|0.140318|0.212900|0.216181|0.301968|0.500000| |1.818870|2.120356|2.247010|2.658568|3.024727|3.755779|2.321262|5.258796|4.497621|6.844393|6.746543|5.703968|6.937968|12.313291|17.520788|8.793667|45.146406|12.063005|8.181657|4.803556|4.315214|3.387311|2.998737|2.967049|2.644107|2.189194|2.070497|2.191214|2.545244|3.433767|2.928981|0.074340|3.183228|3.920336|0.047873|0.048929|0.048731|0.057278|0.075989|0.060311|0.113623|0.200549|0.127824|0.132155|0.205179|0.142647|0.500000| |1.722930|1.989591|2.151279|2.534475|2.749054|3.341696|2.114885|4.597622|4.103844|6.826459|5.514565|4.917286|5.638986|12.436067|17.621807|8.887370|49.836945|11.861134|8.330937|6.741055|6.092636|4.641780|3.999571|3.836807|3.341564|2.659105|2.511915|2.724968|3.280662|4.395378|3.830907|0.092541|4.185511|5.254800|0.045593|0.045876|0.046732|0.055935|0.074636|0.054511|0.093683|0.140443|0.108015|0.129205|0.142413|0.127298|0.302700|0.500000| |2.099846|2.504001|2.839529|3.552673|3.767729|4.234045|2.618472|6.597932|7.084144|12.846279|8.874725|6.854617|5.726236|9.518950|8.871229|17.593778|32.694935|6.971550|6.718075|4.550082|3.874770|3.431228|3.065502|2.845068|2.674107|2.243836|2.164159|2.415887|2.795565|3.906421|3.233958|0.078430|3.836822|4.610819|0.055560|0.054649|0.056781|0.073441|0.110579|0.065081|0.122456|0.174400|0.139999|0.202708|0.132105|0.128825|0.173329|0.216909|0.500000| |2.191051|2.631317|2.890663|3.584311|4.052875|4.707113|2.845465|7.313458|6.848259|10.403594|8.794860|5.510707|4.892894|7.676542|8.909477|17.536731|28.532002|6.797121|5.796681|3.751124|3.439566|3.016898|2.800380|2.757611|2.633690|2.187992|2.049283|2.211712|2.495135|3.362827|2.725757|0.067379|3.016705|3.500311|0.056796|0.057765|0.059349|0.072991|0.105074|0.071390|0.144970|0.214957|0.123161|0.140020|0.128068|0.107940|0.215335|0.213632|0.302142|0.500000| |1.342713|1.500013|1.595091|1.799069|1.899141|2.389401|1.571638|2.976986|2.485619|4.296738|2.984602|3.018895|3.629980|6.664504|4.867783|3.639735|48.110746|13.903681|8.654212|9.074868|17.757495|8.572097|6.414056|5.965574|4.160522|3.306701|3.233682|3.381515|4.406153|5.678813|5.424922|0.138170|4.815834|5.524178|0.035986|0.036074|0.036598|0.042331|0.052478|0.041351|0.061072|0.079782|0.072840|0.082583|0.095890|0.095835|0.126391|0.168107|0.099701|0.094367|0.500000| |1.295203|1.433280|1.522976|1.695190|1.763265|2.228794|1.486923|2.695122|2.209394|3.886055|2.509572|2.401265|2.646962|4.510791|3.653789|3.094843|26.261155|7.136123|5.305778|4.629386|6.545039|7.022179|9.000485|17.561299|8.843283|5.485637|4.654631|4.486879|5.444033|5.893049|4.611176|0.111881|3.795840|3.788846|0.034534|0.034772|0.035763|0.040752|0.049414|0.039198|0.054804|0.067221|0.058962|0.066505|0.070636|0.068968|0.096271|0.127062|0.086673|0.086315|0.204937|0.500000| |1.163657|1.273713|1.348480|1.482166|1.527742|1.944800|1.312861|2.297845|1.861287|3.301314|2.071744|2.026776|2.222448|3.638632|2.803819|2.448096|21.583777|5.752370|4.635276|3.766786|5.085781|6.162310|8.920314|17.501255|8.831547|7.052796|6.300034|5.241137|5.978791|6.117555|4.466340|0.115401|3.446776|3.265063|0.031198|0.031297|0.032179|0.036347|0.043127|0.034777|0.046662|0.055627|0.050709|0.056606|0.059459|0.059415|0.074526|0.091760|0.069179|0.067625|0.150546|0.304765|0.500000| |1.311568|1.442010|1.549369|1.710454|1.733119|2.171968|1.468539|2.587453|2.120886|3.856254|2.287032|2.155850|2.244096|3.676473|2.980484|2.799141|19.721200|4.955413|4.199837|3.453403|4.146444|5.073156|7.148696|8.866003|17.528296|8.793829|6.339850|6.506596|6.367908|6.365318|4.169964|0.097569|3.528016|3.265287|0.034989|0.034934|0.036645|0.042042|0.050436|0.038477|0.051520|0.060017|0.053341|0.061330|0.058892|0.058741|0.076432|0.099225|0.082232|0.079806|0.111171|0.204224|0.174285|0.500000| |1.244441|1.361689|1.443041|1.581487|1.622589|2.064936|1.398814|2.418480|1.943589|3.461035|2.112544|1.981595|2.089498|3.375936|2.761833|2.540433|18.419726|4.855436|3.927857|3.055688|3.722306|4.192650|5.543878|8.864192|17.545737|8.900437|5.452350|4.669353|4.567637|4.839234|3.360953|0.083134|2.874010|2.765401|0.033098|0.033411|0.034736|0.038942|0.045962|0.036990|0.048870|0.056783|0.049567|0.055236|0.056107|0.054573|0.073672|0.090741|0.071918|0.073435|0.107660|0.226002|0.203585|0.305179|0.500000| |1.145873|1.239651|1.319674|1.428525|1.436840|1.826051|1.254490|2.100864|1.683292|3.061490|1.779456|1.701462|1.762267|2.770719|2.177869|2.074961|15.032571|3.804551|3.343498|2.517521|2.923634|3.498452|4.610648|5.470272|8.899176|17.522991|8.852183|6.430446|4.819193|5.037821|3.151515|0.079250|2.665349|2.435100|0.030704|0.030651|0.032153|0.036102|0.041774|0.033151|0.041979|0.047305|0.043085|0.048325|0.046825|0.046938|0.057299|0.068916|0.060227|0.058997|0.079834|0.123821|0.141376|0.222429|0.210012|0.500000| |1.090610|1.179703|1.246684|1.349910|1.372127|1.756010|1.203111|2.017974|1.609593|2.889401|1.728108|1.666546|1.759846|2.771322|2.160427|2.002156|15.481582|4.015481|3.442931|2.571864|3.079342|3.637653|4.840025|6.433540|8.853497|17.522503|8.891928|5.470138|4.599777|4.807449|3.145642|0.081583|2.595479|2.407347|0.029236|0.029323|0.030448|0.033921|0.039212|0.031955|0.040712|0.046428|0.042319|0.046862|0.047209|0.047059|0.057686|0.068379|0.057134|0.056556|0.086853|0.140626|0.195199|0.174552|0.224322|0.304355|0.500000| |1.054118|1.135930|1.209848|1.305982|1.308814|1.663726|1.146231|1.910469|1.534179|2.802535|1.625102|1.597325|1.670368|2.602955|1.967978|1.857028|14.504355|3.611531|3.316216|2.467644|2.849226|3.552923|4.592050|4.668244|5.452985|8.900705|17.550027|8.868397|5.547369|5.867548|3.436375|0.090297|2.779649|2.445535|0.028469|0.028197|0.029449|0.033225|0.038276|0.030322|0.038147|0.043051|0.040705|0.045747|0.044144|0.045379|0.051547|0.061272|0.054193|0.051500|0.075957|0.102940|0.132350|0.137485|0.123929|0.224275|0.209810|0.500000| |1.073185|1.162934|1.236701|1.344417|1.360162|1.728570|1.182124|2.008149|1.621339|2.936141|1.750364|1.735014|1.852386|2.932143|2.196964|2.014200|16.880705|4.247672|3.825363|2.942812|3.563461|4.639447|6.417526|6.498749|6.335839|8.799119|17.520024|8.862538|7.156878|7.014555|4.246810|0.113572|3.213847|2.828110|0.028968|0.028761|0.029817|0.033748|0.039351|0.031284|0.040314|0.046471|0.043967|0.049448|0.048982|0.050450|0.057577|0.069229|0.058364|0.055312|0.095485|0.132370|0.203761|0.146053|0.137428|0.174618|0.222588|0.305510|0.500000| |1.216422|1.324727|1.432791|1.566403|1.556082|1.943999|1.329903|2.286771|1.876508|3.492298|1.978870|1.932233|1.990532|3.168599|2.416812|2.323283|17.161487|4.126166|3.848389|3.059855|3.472034|4.578731|6.049806|5.278629|6.347510|7.060555|8.813224|17.507437|8.964558|8.856966|4.608268|0.109173|3.760705|3.168101|0.032813|0.032256|0.034019|0.039427|0.046617|0.034793|0.045053|0.051296|0.048423|0.056327|0.051519|0.053616|0.061308|0.076663|0.070027|0.064138|0.087779|0.118210|0.126099|0.206093|0.133032|0.194762|0.141385|0.202126|0.174174|0.500000| |1.125376|1.219760|1.314189|1.429937|1.421529|1.784444|1.224579|2.084426|1.703128|3.160225|1.802707|1.801886|1.878236|2.951693|2.178903|2.067483|16.438482|3.927674|3.791422|2.933113|3.303553|4.417301|5.478801|4.484837|4.654374|5.471499|8.784983|17.595757|9.086253|10.267941|4.873332|0.124110|3.782195|3.084912|0.030532|0.029911|0.031349|0.036216|0.042434|0.032150|0.041211|0.046903|0.045566|0.052630|0.048642|0.051521|0.055632|0.067830|0.061860|0.056150|0.082891|0.100983|0.117233|0.132670|0.102913|0.140326|0.123409|0.224146|0.202666|0.304352|0.500000| |1.390227|1.545725|1.704651|1.921011|1.909737|2.321886|1.556440|2.893993|2.505291|4.774214|2.729398|2.966178|3.125476|5.043350|3.294812|3.110339|27.765619|5.645739|6.706369|5.555001|4.815699|5.525233|4.434574|3.322013|2.946405|2.681081|2.966337|3.733130|4.881693|9.233497|8.549670|0.197732|17.729525|9.078915|0.038028|0.036561|0.038035|0.046629|0.058576|0.040155|0.056211|0.067360|0.072468|0.092920|0.074959|0.089479|0.078155|0.098761|0.098965|0.077241|0.105237|0.088980|0.082874|0.088398|0.071864|0.069530|0.066412|0.073584|0.081982|0.100379|0.102909|0.500000| 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