Version2.1 2021-01-08T14:36:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 09-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[n+]1c(csc1Nc2ccc(cc2)OCC)c3ccc(cc3)S(=O)(=O)N4CCCCCC4 C39834808 RHF 6-31G(d) (6D,7F) CC[n+]1c(csc1Nc2ccc(cc2)OCC)c3ccc(cc3)S(=O)(=O)N4CCCCCC4 C01[X(C25H32N3O3S2)] 189 C1 567 CCOc1ccc(cc1)Nc1scc([n+]1CC)c1ccc(cc1)S(=O)(=O)N1CCCCCC1 CCOc1ccc(cc1)Nc1scc([n+]1CC)c1ccc(cc1)S(=O)(=O)N1CCCCCC1 CCOc1ccc(Nc2scc(c3ccc(cc3)[S](=O)(=O)N4CCCCCC4)[n+]2CC)cc1 InChIKey=GDTCIVSSBVULIM-UHFFFAOYSA-O InChI=1S/C25H31N3O3S2/c1-3-28-24(19-32-25(28)26-21-11-13-22(14-12-21)31-4-2)20-9-15-23(16-10-20)33(29,30)27-17-7-5-6-8-18-27/h9-16,19H,3-8,17-18H2,1-2H3/p+1 InChI=1/C25H31N3O3S2/c1-3-28-24(19-32-25(28)26-21-11-13-22(14-12-21)31-4-2)20-9-15-23(16-10-20)33(29,30)27-17-7-5-6-8-18-27/h9-16,19H,3-8,17-18H2,1-2H3/p+1/fC25H32N3O3S2/h26H/q+1 CC[n+]1c(csc1Nc2ccc(cc2)OCC)c3ccc(cc3)S(=O)(=O)N4CCCCCC4 C01[X(C25H32N3O3S2)] 189 C01 567 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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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 3612.9224 61207.7059 61834.4668 0.99999 0.00386 0.00155 -0.00389 0.99981 0.01903 -0.00147 -0.01903 0.99982 1 0.02397 0.00142 0.00140 0.49952 0.02949 0.02919 12.21 18.83 21.58 26.65 41.49 53.11 66.91 73.74 79.79 104.10 108.70 140.18 160.25 171.07 188.52 218.96 239.28 244.52 271.62 285.60 296.35 318.82 329.97 396.09 399.35 420.16 455.69 471.22 489.29 500.17 522.77 553.84 568.46 588.71 603.68 607.60 625.96 648.96 650.57 668.66 706.01 716.40 729.36 754.86 764.41 819.76 825.63 852.01 873.32 922.09 935.98 958.64 965.79 1002.46 1014.43 1035.64 1081.97 1114.78 1128.83 1149.58 1169.64 1177.67 1189.66 1207.12 1230.71 1283.01 1292.40 1294.15 1307.11 1321.27 1338.10 1351.17 1367.10 1382.36 1388.06 1417.10 1428.82 1459.03 1468.78 1483.10 1552.00 1553.37 1574.39 1580.85 1583.82 1593.61 1594.63 1611.73 1613.40 1626.11 1647.33 1666.80 1708.87 1717.19 1737.60 1739.78 1747.48 1752.43 1764.62 1786.82 1820.51 1852.21 1856.08 1859.93 1867.88 1875.15 1884.18 1886.82 1906.64 1910.82 1937.77 1972.10 2002.21 2006.11 2042.30 2062.95 2069.00 2078.58 2088.01 2090.08 2109.68 2123.20 2153.51 2169.85 2172.04 2203.29 2203.88 2207.76 2222.23 2226.15 2226.52 2229.89 2247.04 2265.57 2274.49 2284.00 2290.64 2342.29 2344.43 2347.48 2349.36 2359.59 2361.64 2364.01 2364.20 2377.55 2389.67 2404.00 2407.60 2409.54 2440.13 2499.89 2529.50 2543.89 2592.72 2598.47 2649.89 4582.56 4605.88 4609.64 4621.27 4628.46 4639.91 4639.97 4644.50 4661.28 4674.04 4679.06 4689.49 4692.73 4703.06 4703.99 4736.98 4739.91 4745.88 4756.32 4763.39 4768.46 4836.25 4856.54 4860.79 4862.44 4863.47 4907.72 4919.95 4920.80 4925.84 4987.62 5537.52 0.584000 0.614186 0.615131 0.516413 -2147.437047 -2147.406861 -2147.405917 -2147.504635 3.311018D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE CC[n+]1c(csc1Nc2ccc(cc2)OCC)c3ccc(cc3)S(=O)(=O)N4CCCCCC4 C39834808 RHF 6-31G(d) (6D,10F) C1 486.188511 |X|Y|Z| 32.250564 36.971590 180.898384 59.971749 26 6 7 16 21 3 2 |36.858105| |12.496065|36.858105| |7.614706|12.878584|53.358707| |5.528707|7.455329|18.274461|36.858105| |4.232474|5.174745|11.375590|14.381643|36.858105| |4.032379|4.789449|10.186231|7.437459|10.913676|388.023441| |5.860541|7.725022|19.568334|8.311684|7.791416|78.535436|36.858105| |5.532294|6.584012|11.050120|5.351585|5.084428|50.602661|14.428054|53.358707| |3.984367|4.396525|7.055670|4.043163|4.173351|44.303078|7.824215|18.003148|36.858105| |3.251080|3.694496|5.774379|3.500992|3.665398|37.042756|5.786061|10.577804|13.683416|36.858105| |2.679246|2.930276|4.472536|2.853218|3.033926|29.314817|4.192206|6.992149|7.960451|13.874761|36.858105| |2.553494|2.681236|4.063360|2.628975|2.809028|26.804868|3.750805|6.153631|6.868391|7.919854|13.613687|36.858105| |2.866718|2.917261|4.443192|2.836579|3.018234|29.186981|4.168272|6.975330|7.935504|6.852124|7.899829|13.693855|36.858105| |3.614461|3.680931|5.734373|3.480804|3.648299|36.940668|5.756981|10.612813|13.799893|7.929275|6.881422|7.933234|13.744545|36.858105| |2.170022|2.259883|3.371534|2.238809|2.391975|21.774519|2.985358|4.680581|4.646270|5.323978|8.246025|14.328508|7.901928|5.220861|73.516695| |2.007798|2.043158|3.019228|2.030615|2.164260|19.165797|2.615705|4.017796|3.781441|3.972847|5.234386|7.959849|6.666971|4.491402|23.893897|36.858105| |1.740755|1.778233|2.602618|1.775559|1.886807|16.213295|2.203014|3.313484|2.981248|3.206414|4.098167|5.240390|4.392905|3.336336|14.328579|12.585798|36.858105| |5.060940|6.328775|10.237984|12.799120|7.580170|33.698471|5.173098|5.331149|3.114395|2.785563|2.348738|2.186704|2.335454|2.769881|3.392011|1.754886|1.559929|36.858105| |4.181820|5.375674|7.785437|7.632163|5.561351|27.765227|4.246015|4.640479|2.780485|2.584977|2.196913|2.017136|2.106246|2.445854|3.164717|1.630019|1.466811|13.695996|36.858105| |3.553220|4.178887|5.648735|5.056614|4.071599|21.793110|3.279555|3.769819|2.327975|2.183081|1.897526|1.762575|1.836458|2.095231|2.805088|1.460224|1.326681|7.924096|13.770688|36.858105| |3.467614|3.770568|5.050764|4.478256|3.696697|20.025474|2.983829|3.470276|2.164658|2.003223|1.761447|1.663683|1.752898|1.993861|2.659642|1.400515|1.272513|6.888430|7.957717|13.732970|36.858105| |3.911381|4.047874|5.553185|5.058970|4.132782|21.898604|3.250569|3.725409|2.307881|2.089513|1.834689|1.753034|1.876176|2.154914|2.787502|1.475938|1.330751|7.924919|6.858637|7.904839|13.751505|36.858105| |4.805087|5.108467|7.546053|7.646056|5.722528|27.993817|4.185716|4.560286|2.747330|2.434309|2.101580|2.003314|2.167208|2.542883|3.140132|1.652211|1.472526|13.715184|7.916515|6.858060|7.957516|13.753337|36.858105| |2.736253|2.867047|3.770063|3.153609|2.754531|15.848884|2.337672|2.818534|1.805346|1.692498|1.515133|1.440685|1.508535|1.685552|2.333901|1.238772|1.137169|4.184659|4.716241|6.926075|10.660435|6.927063|4.714871|388.023441| |2.732429|2.734474|3.548190|2.902416|2.547232|14.953732|2.219944|2.708120|1.740882|1.616592|1.454514|1.397509|1.475618|1.647733|2.267649|1.212749|1.112033|3.721261|3.865876|5.003911|7.412540|6.539645|4.453795|94.809143|73.516695| |2.596123|2.774597|3.573656|2.902578|2.533035|14.921999|2.229552|2.725558|1.749778|1.660391|1.486432|1.402560|1.455412|1.619652|2.277539|1.203732|1.109629|3.722209|4.457941|6.546268|7.413647|5.004097|3.865504|94.807947|13.566666|73.516695| |2.327141|2.449933|3.343823|2.843028|2.598215|14.965348|2.130364|2.567165|1.674656|1.584029|1.432906|1.366397|1.423369|1.573063|2.229499|1.186856|1.095560|3.620990|4.009909|5.390624|6.979594|5.388825|4.007605|83.963183|13.709747|13.748713|53.358707| |2.169372|2.231691|3.084611|2.619008|2.451569|14.258117|1.997917|2.416587|1.593007|1.500050|1.368018|1.317613|1.379288|1.516571|2.158579|1.157745|1.069739|3.227102|3.349215|4.108668|5.274444|4.843974|3.711081|50.393867|11.803607|8.911405|17.646785|36.858105| |1.901570|1.931866|2.637076|2.177626|2.052444|12.308391|1.733334|2.132582|1.420263|1.343792|1.235820|1.195177|1.248041|1.360836|1.971387|1.062543|0.987268|2.590991|2.684430|3.201516|3.883946|3.622995|2.917382|37.651192|9.775166|7.571599|10.336711|12.487049|36.858105| |1.719413|1.768174|2.411800|1.973824|1.873251|11.373280|1.598615|1.980064|1.327452|1.269106|1.171853|1.128935|1.169450|1.267220|1.870621|1.006525|0.940378|2.311833|2.454294|2.914529|3.328526|3.001684|2.504921|31.625788|7.558704|7.129014|8.560602|7.360695|12.414470|36.858105| |1.759279|1.826545|2.458357|1.994079|1.867843|11.370303|1.619399|2.012435|1.342920|1.289375|1.186215|1.135696|1.171856|1.272240|1.879171|1.006666|0.940910|2.350986|2.570475|3.129512|3.486471|2.994850|2.493774|35.018663|7.869026|8.753318|8.868965|5.912801|7.393181|12.390347|36.858105| |1.863591|1.977817|2.677399|2.193949|2.049213|12.331886|1.753083|2.162326|1.436583|1.386348|1.268844|1.205160|1.237819|1.347611|1.988222|1.058245|0.988126|2.616425|2.968063|3.712812|3.953981|3.223476|2.699300|38.773388|7.683551|10.456092|10.241273|5.652386|5.594732|7.297137|12.405968|36.858105| |2.098351|2.252135|3.097149|2.613426|2.432285|14.200808|2.002065|2.426437|1.598053|1.533259|1.393017|1.320391|1.361175|1.492853|2.164787|1.148650|1.066499|3.220096|3.705675|4.837490|5.266213|4.100448|3.340815|50.526869|8.920558|11.911973|17.659979|7.583210|5.913091|6.282400|7.342245|12.428368|36.858105| |17.596683|8.818114|9.317731|5.760912|4.375074|27.865110|5.198427|6.285286|3.505927|2.896725|2.440344|2.357483|2.653076|3.281381|3.604874|1.898337|1.654440|5.640282|4.389137|3.799296|3.886547|4.661631|5.908808|21.377796|5.443733|4.915187|3.451529|2.387980|2.072217|1.843705|1.869378|1.966995|2.237178|0.500000| |17.568297|8.738033|9.308289|4.911080|4.051671|29.718109|6.168827|8.706679|4.596751|3.567514|2.934207|2.847700|3.296459|4.299469|4.240900|2.213871|1.890488|4.233098|3.521253|3.013519|2.951259|3.326459|4.053094|17.008354|4.266430|4.034385|2.839049|1.973507|1.746180|1.585464|1.610655|1.697024|1.897870|0.301277|0.500000| |17.580405|8.896508|7.574347|4.364060|3.463714|23.580354|4.544050|6.149108|3.448228|2.916508|2.449251|2.334968|2.583258|3.158578|3.579589|1.872155|1.640195|4.259534|3.767706|3.352469|3.291041|3.596027|4.125241|19.135185|4.829178|4.625395|3.072904|2.093015|1.859500|1.689411|1.743930|1.837624|2.039357|0.301807|0.301554|0.500000| |8.843758|17.696106|12.554256|7.250047|4.878558|29.606977|5.822340|6.699081|3.593661|3.168513|2.582201|2.361669|2.523528|3.070458|3.608997|1.845555|1.629490|7.469346|6.887502|5.252901|4.550048|4.692611|5.754168|23.709402|5.530663|5.801989|3.761943|2.456411|2.105305|1.926119|2.012586|2.202567|2.528826|0.212856|0.172576|0.212799|0.500000| |8.755615|17.604056|12.459190|5.730260|4.421630|31.585534|7.198722|9.754495|4.742770|4.090266|3.172412|2.833955|3.027444|3.806376|4.221593|2.117680|1.843819|4.880397|4.525403|3.634428|3.230218|3.345064|4.002627|18.207204|4.323372|4.515337|3.015996|2.016034|1.769550|1.641370|1.705998|1.850035|2.075724|0.172456|0.206518|0.212875|0.305794|0.500000| |3.503523|4.089629|7.825680|8.880806|17.814289|54.870403|5.457319|5.433268|3.480020|3.160574|2.716686|2.545735|2.703184|3.146360|3.941072|2.028132|1.791008|6.629610|5.179954|3.984887|3.678808|4.094996|5.429802|19.746966|4.531920|4.483902|3.683141|2.586061|2.143947|1.956020|1.928566|2.121904|2.549088|0.102556|0.093223|0.082346|0.111393|0.099385|0.500000| |6.429602|7.464916|10.110471|4.827936|4.319730|37.795708|9.533267|26.007743|9.073515|6.350377|4.493309|4.010009|4.494796|6.395886|5.590829|2.740314|2.289907|3.764517|3.340467|2.757765|2.545177|2.713471|3.264007|14.812953|3.578785|3.611286|2.547451|1.752970|1.555365|1.444778|1.477112|1.582728|1.763761|0.138036|0.212559|0.149319|0.148355|0.252710|0.096727|0.500000| |3.237435|3.849972|5.961140|3.615603|3.720545|35.722557|5.720025|9.721145|8.887174|17.719193|8.961017|5.635048|4.941325|5.642966|7.636097|3.321692|2.813326|2.896206|2.754944|2.308232|2.080279|2.136272|2.476409|12.463960|2.945294|3.086511|2.228051|1.534950|1.372219|1.302283|1.331666|1.442565|1.595981|0.079657|0.095479|0.081454|0.093264|0.121825|0.088998|0.170418|0.500000| |2.386364|2.625668|3.951310|2.577331|2.735688|25.290118|3.556033|5.656265|5.644515|8.919452|17.752869|8.939578|5.646342|4.959439|13.548810|4.863560|4.134415|2.165304|2.062183|1.796908|1.661256|1.711929|1.937050|10.254670|2.451401|2.531334|1.865917|1.306529|1.184852|1.130579|1.147072|1.229305|1.343259|0.060760|0.071246|0.061428|0.065618|0.079155|0.069251|0.104258|0.214520|0.500000| |2.646119|2.622869|3.937276|2.568141|2.727864|25.272819|3.551865|5.678143|5.663672|4.946290|5.616694|8.856642|17.781212|8.965964|12.498641|7.369993|4.655878|2.156272|1.941264|1.713646|1.654464|1.779501|2.038909|10.215530|2.516737|2.454564|1.851282|1.327772|1.207243|1.129506|1.127118|1.183488|1.297281|0.069117|0.084536|0.066799|0.063742|0.074507|0.069012|0.104956|0.107414|0.123958|0.500000| |3.969149|3.819213|5.877957|3.573927|3.686901|35.537958|5.663577|9.753234|8.932118|5.640002|4.956424|5.646304|8.934186|17.717834|7.469904|3.890102|2.974181|2.863494|2.476907|2.133132|2.060906|2.264544|2.690133|12.362638|3.052678|2.943363|2.198400|1.566379|1.404603|1.298363|1.298415|1.367589|1.517483|0.101393|0.136671|0.094892|0.087695|0.106108|0.088236|0.172190|0.124072|0.107635|0.217085|0.500000| |2.060727|2.065122|3.004558|1.998997|2.099466|18.383448|2.585495|4.036304|3.759768|3.809981|4.784728|7.089431|6.762293|4.597518|16.513514|17.564093|8.839775|1.735954|1.608776|1.445810|1.392394|1.470988|1.643920|8.775019|2.158408|2.132172|1.600735|1.147388|1.055288|0.997711|0.998788|1.046788|1.133805|0.053889|0.063750|0.053680|0.051579|0.059612|0.054319|0.077891|0.088507|0.120565|0.224313|0.113286|0.500000| |2.028328|2.055106|3.078761|2.094969|2.263133|20.170121|2.674913|4.025192|3.752957|3.800001|4.771027|7.073770|6.756922|4.590778|16.512180|17.562391|8.840008|1.803311|1.660503|1.485828|1.431647|1.518687|1.706969|8.982029|2.201678|2.168687|1.653257|1.190492|1.090355|1.029767|1.025325|1.076542|1.172539|0.053817|0.062173|0.052102|0.051576|0.058380|0.059272|0.075189|0.088256|0.120189|0.224727|0.113141|0.300399|0.500000| |1.644380|1.662153|2.419846|1.661396|1.760861|14.899930|2.025096|3.017111|2.654091|2.775559|3.390365|4.241393|3.836853|2.999855|10.234840|8.899075|17.567342|1.471701|1.381797|1.257527|1.213753|1.272292|1.401625|7.752749|1.903487|1.887302|1.432176|1.031802|0.955473|0.909496|0.907745|0.949546|1.022597|0.043688|0.049584|0.043177|0.042462|0.047560|0.046681|0.058302|0.068334|0.093529|0.117460|0.076471|0.212455|0.212486|0.500000| |1.686102|1.739546|2.568957|1.771513|1.900877|16.326088|2.172455|3.216262|2.873790|3.144533|4.021658|4.889720|4.017551|3.138305|12.920956|8.865863|17.585730|1.556172|1.468313|1.327164|1.269430|1.323823|1.464002|8.066670|1.964372|1.968103|1.494984|1.072595|0.988911|0.944042|0.943800|0.993423|1.073316|0.044694|0.050448|0.044010|0.044521|0.049958|0.050498|0.061206|0.077692|0.116165|0.114600|0.077512|0.173337|0.212158|0.300621|0.500000| |1.704531|1.745561|2.525367|1.712375|1.800841|15.335051|2.123732|3.221818|2.876732|3.149964|4.029458|4.894539|4.018632|3.140405|12.920016|8.866535|17.586533|1.512290|1.432195|1.298422|1.241839|1.291895|1.423672|7.915791|1.933473|1.940692|1.455839|1.040776|0.962549|0.919180|0.922994|0.969912|1.043388|0.044734|0.051277|0.044947|0.044522|0.050721|0.047331|0.062634|0.077857|0.116488|0.114548|0.077559|0.212188|0.173344|0.300630|0.300778|0.500000| |3.906996|5.281285|7.779575|7.047094|5.452973|28.642622|4.394335|4.837520|2.907924|2.768852|2.331744|2.101240|2.160427|2.499650|3.290934|1.676151|1.511517|8.886705|17.716866|8.937568|5.656233|4.944504|5.632734|27.748696|5.763237|6.935149|4.688156|2.904803|2.395013|2.243770|2.369640|2.757424|3.345916|0.108392|0.093428|0.098656|0.182674|0.131499|0.138814|0.096277|0.083968|0.061259|0.054752|0.068983|0.045751|0.047169|0.039326|0.042162|0.041140|0.500000| |3.100457|3.634733|4.834737|4.113551|3.460579|19.400487|2.907945|3.428484|2.151583|2.053317|1.798581|1.663113|1.714311|1.933737|2.666036|1.386368|1.268745|5.638454|8.914245|17.761397|8.918275|5.638073|4.948027|47.124721|8.200285|13.371151|7.262967|3.904332|3.141408|2.972479|3.317507|4.114429|5.254115|0.089666|0.074214|0.083210|0.124622|0.091627|0.094712|0.070066|0.060804|0.047776|0.044445|0.054207|0.038094|0.039008|0.033398|0.035314|0.034631|0.215178|0.500000| |3.546559|3.485650|4.730717|4.116572|3.527827|19.535109|2.872968|3.370555|2.124068|1.920670|1.706834|1.649212|1.772705|2.018869|2.639779|1.410524|1.275175|5.639929|4.948295|5.637065|8.923282|17.760708|8.910190|47.109801|13.342559|8.196141|7.254350|5.250880|3.965334|3.141259|3.049575|3.146152|3.896122|0.118657|0.085672|0.092186|0.108240|0.081555|0.098146|0.068435|0.054041|0.044273|0.047171|0.059395|0.039170|0.040402|0.034042|0.035173|0.034352|0.107444|0.124196|0.500000| |4.949006|4.855972|7.371892|7.066685|5.729807|29.089921|4.278402|4.680724|2.841934|2.466839|2.141541|2.073805|2.281964|2.693797|3.242392|1.719792|1.522674|8.897186|5.633310|4.944740|5.656834|8.930413|17.723787|27.741341|6.928560|5.762586|4.684308|3.348771|2.705881|2.313339|2.265225|2.399596|2.897273|0.178121|0.120397|0.114877|0.140158|0.105979|0.150368|0.092213|0.068383|0.054342|0.060141|0.080843|0.047667|0.049712|0.040397|0.041927|0.040679|0.123854|0.107449|0.215064|0.500000| |2.079416|2.159799|3.046186|2.619281|2.508729|14.518829|1.993459|2.399925|1.592900|1.506003|1.377779|1.326945|1.385204|1.517305|2.178100|1.167954|1.080793|3.174867|3.278801|3.888531|4.707957|4.423353|3.578836|39.079742|8.802867|7.499049|12.587659|17.561637|8.822932|6.553817|5.125833|5.204629|7.229146|0.063238|0.053010|0.055193|0.065419|0.054373|0.075011|0.047944|0.042793|0.036617|0.037039|0.043384|0.032022|0.033452|0.028949|0.030207|0.029144|0.079992|0.102654|0.128519|0.090556|0.500000| |2.345921|2.373247|3.278088|2.793722|2.595332|14.996812|2.110170|2.542563|1.667319|1.554120|1.413680|1.367909|1.443198|1.595331|2.233090|1.200511|1.104187|3.473325|3.461217|4.161128|5.660483|5.728710|4.215322|49.628821|13.474317|8.326687|12.419440|17.643798|8.887814|5.443227|4.601548|4.395608|5.614368|0.073024|0.059136|0.062567|0.072281|0.058824|0.075707|0.051255|0.043927|0.037293|0.038675|0.046128|0.033130|0.034372|0.029615|0.030676|0.029784|0.081785|0.105156|0.189061|0.107242|0.303564|0.500000| |1.806846|1.820908|2.505450|2.065994|1.972889|11.918679|1.663158|2.051047|1.375192|1.299505|1.201025|1.167765|1.221751|1.327031|1.931618|1.045603|0.972607|2.414221|2.448215|2.829372|3.382384|3.300046|2.733072|30.068624|8.020889|6.160237|7.607257|8.989984|17.514256|8.841530|5.448991|4.357543|4.620950|0.054796|0.046515|0.048885|0.054460|0.046371|0.057569|0.041412|0.036679|0.031971|0.032966|0.038133|0.028837|0.029887|0.026213|0.027073|0.026286|0.061022|0.076170|0.101732|0.072031|0.218787|0.215395|0.500000| |1.943510|1.951798|2.623493|2.138180|1.991201|12.031300|1.717891|2.126121|1.411387|1.331050|1.222699|1.184026|1.239554|1.354159|1.951290|1.052891|0.977330|2.546454|2.628395|3.145147|3.871779|3.630301|2.891096|39.262493|11.398595|7.919039|9.161961|8.919421|17.552890|8.861997|6.880551|5.053233|5.089890|0.058976|0.049391|0.053307|0.059226|0.049648|0.057028|0.043368|0.037718|0.032515|0.033340|0.038944|0.029150|0.029955|0.026293|0.027112|0.026512|0.064977|0.085633|0.112746|0.074727|0.174305|0.220013|0.303300|0.500000| |1.665970|1.726807|2.384430|1.965292|1.888805|11.451008|1.590102|1.963957|1.322681|1.269533|1.174924|1.130888|1.167983|1.261931|1.877101|1.009335|0.944613|2.283167|2.426740|2.841278|3.168015|2.871243|2.444651|28.309030|6.540165|6.431914|7.834612|6.729203|8.779441|17.488444|8.760615|6.927840|6.353215|0.049452|0.042869|0.045167|0.052021|0.044623|0.055355|0.039586|0.036213|0.031553|0.031319|0.035802|0.027703|0.028725|0.025366|0.026417|0.025616|0.062131|0.080591|0.082149|0.062819|0.193910|0.138195|0.209939|0.173167|0.500000| |1.592450|1.624109|2.208021|1.787304|1.703424|10.482588|1.474816|1.840777|1.241015|1.187615|1.101890|1.065311|1.103378|1.190486|1.771602|0.956605|0.896148|2.061115|2.164567|2.518699|2.845267|2.625599|2.230666|26.116660|6.525329|6.022285|6.400033|5.474134|8.960820|17.550687|8.890006|5.477261|4.650611|0.047301|0.041035|0.043648|0.048774|0.042086|0.049225|0.037375|0.033761|0.029566|0.029701|0.033906|0.026373|0.027175|0.024132|0.024972|0.024346|0.055423|0.071154|0.076966|0.058034|0.138931|0.124210|0.221783|0.213587|0.305027|0.500000| |1.611354|1.671300|2.245932|1.802879|1.699192|10.484380|1.492554|1.869022|1.255239|1.211145|1.119531|1.072378|1.102707|1.191024|1.781640|0.955627|0.896694|2.088653|2.277651|2.709462|2.936527|2.564824|2.189353|27.780469|6.398300|7.211517|6.499073|4.467852|5.515566|8.849408|17.549640|8.950363|5.482188|0.047199|0.041226|0.044543|0.050823|0.043739|0.048623|0.038150|0.034757|0.030176|0.029499|0.033679|0.026337|0.026993|0.024054|0.024996|0.024473|0.059245|0.080295|0.072282|0.055778|0.113030|0.101983|0.124835|0.147024|0.200697|0.228591|0.500000| |1.841619|1.895511|2.516787|2.025061|1.873843|11.427958|1.647639|2.053431|1.363488|1.303324|1.195955|1.146128|1.186504|1.292407|1.892470|1.014341|0.946082|2.403268|2.618313|3.220017|3.671471|3.144640|2.576757|39.264526|9.268805|9.950379|8.828763|5.738156|7.167686|8.875032|17.541336|8.851113|6.311582|0.054527|0.046583|0.051113|0.058294|0.049061|0.053210|0.042113|0.037353|0.032045|0.031712|0.036759|0.028044|0.028663|0.025362|0.026286|0.025806|0.066494|0.094293|0.090068|0.064946|0.129821|0.131169|0.145051|0.219221|0.173954|0.204065|0.305457|0.500000| |1.724605|1.838523|2.511767|2.054342|1.946891|11.817431|1.663266|2.057685|1.378126|1.339038|1.231586|1.168815|1.194620|1.293240|1.935960|1.030362|0.965837|2.401405|2.714507|3.278417|3.373838|2.825827|2.440245|30.202911|6.207308|8.067095|7.651877|4.662535|4.670135|6.300888|8.817700|17.516591|8.981774|0.050220|0.043974|0.047101|0.056358|0.048134|0.056344|0.041678|0.038750|0.033286|0.031735|0.036302|0.028237|0.029112|0.025782|0.027045|0.026339|0.071467|0.100911|0.076238|0.060862|0.128158|0.103409|0.107633|0.114988|0.187943|0.139734|0.225449|0.175114|0.500000| |1.901533|2.027344|2.705392|2.188927|2.021184|12.246618|1.764405|2.187528|1.448239|1.400791|1.278718|1.210037|1.240362|1.352313|1.994188|1.058789|0.988682|2.609894|3.015268|3.813014|3.943747|3.148980|2.653070|38.814805|7.589561|12.092987|8.612296|4.643205|4.550915|5.448231|8.897792|17.585836|8.864302|0.055325|0.047865|0.052551|0.063228|0.053005|0.057416|0.044757|0.040660|0.034454|0.032865|0.038047|0.029141|0.029814|0.026355|0.027569|0.027034|0.078614|0.121962|0.084283|0.065145|0.116847|0.106960|0.101361|0.122266|0.139692|0.123991|0.209377|0.225711|0.303720|0.500000| |2.214030|2.429542|3.344402|2.835189|2.615498|15.150183|2.145627|2.586917|1.693955|1.632809|1.474469|1.386443|1.423402|1.566247|2.265574|1.194770|1.107946|3.529226|4.287289|5.797894|5.697972|4.205830|3.509382|48.454297|8.187008|12.791383|12.382268|5.676696|4.487910|4.647041|5.470917|8.838878|17.615312|0.064945|0.055305|0.059651|0.076726|0.062402|0.075773|0.052219|0.047589|0.039551|0.037465|0.043990|0.032709|0.033800|0.029403|0.031002|0.030154|0.109018|0.189562|0.105847|0.082813|0.154411|0.129821|0.102837|0.112950|0.131152|0.102733|0.124021|0.139153|0.205175|0.226060|0.500000| 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