Version2.0 2020-08-04T06:29:54Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 13-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)C(C)(C)CCl C34868466 RHF 6-31G(d) (6D,7F) CCOCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)C(C)(C)CCl C01[X(C27H39Cl1N2O5S1)] 219 C1 626 CCOCCCN(C(=O)C(CCl)(C)C)CC(=O)N(Cc1cccs1)CCc1ccc(c(c1)OC)OC CCOCCCN(C(=O)C(CCl)(C)C)CC(=O)N(Cc1cccs1)CCc1ccc(c(c1)OC)OC CCOCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc2sccc2)C(=O)C(C)(C)CCl InChIKey=XRIIAZKWKIFBKA-UHFFFAOYSA-N InChI=1S/C27H39ClN2O5S/c1-6-35-15-8-13-30(26(32)27(2,3)20-28)19-25(31)29(18-22-9-7-16-36-22)14-12-21-10-11-23(33-4)24(17-21)34-5/h7,9-11,16-17H,6,8,12-15,18-20H2,1-5H3 InChI=1/C27H39ClN2O5S/c1-6-35-15-8-13-30(26(32)27(2,3)20-28)19-25(31)29(18-22-9-7-16-36-22)14-12-21-10-11-23(33-4)24(17-21)34-5/h7,9-11,16-17H,6,8,12-15,18-20H2,1-5H3 CCOCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)C(C)(C)CCl C01[X(C27H39Cl1N2O5S1)] 219 C01 626 CCOCCCN(C(=O)C(CCl)(C)C)CC(=O)N(Cc1cccs1)CCc1ccc(c(c1)OC)OC CCOCCCN(C(=O)C(CCl)(C)C)CC(=O)N(CC1=[CH][CH]=CS1)CC[C]1[CH][CH][C]([C]([CH]1)OC)OC CCOCCCN(CC(=O)N(CC[C]1[CH][CH][C](OC)[C]([CH]1)OC)Cc2sccc2)C(=O)C(C)(C)CCl InChIKey=XRIIAZKWKIFBKA-UHFFFAOYSA-N InChI=1S/C27H39ClN2O5S/c1-6-35-15-8-13-30(26(32)27(2,3)20-28)19-25(31)29(18-22-9-7-16-36-22)14-12-21-10-11-23(33-4)24(17-21)34-5/h7,9-11,16-17H,6,8,12-15,18-20H2,1-5H3 InChI=1/C27H39ClN2O5S/c1-6-35-15-8-13-30(26(32)27(2,3)20-28)19-25(31)29(18-22-9-7-16-36-22)14-12-21-10-11-23(33-4)24(17-21)34-5/h7,9-11,16-17H,6,8,12-15,18-20H2,1-5H3 4293.9950724529 -2385.3104901 1-A 30051.4803 144 482 626 |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| -104.80805 -91.98241 -20.58407 -20.58127 -20.55169 -20.53870 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1920.36 1923.96 1932.05 1938.74 1952.31 1989.94 2004.08 2013.28 2015.99 2027.20 2041.95 2050.01 2054.22 2067.85 2078.96 2091.09 2099.64 2116.25 2125.21 2129.34 2158.40 2199.72 2210.00 2211.43 2238.16 2240.96 2247.73 2265.36 2276.75 2282.36 2286.43 2316.75 2324.74 2332.82 2343.39 2344.13 2347.66 2353.34 2357.42 2359.67 2364.15 2366.58 2367.97 2370.67 2374.08 2375.81 2376.22 2378.85 2381.13 2389.56 2390.00 2392.69 2403.03 2407.28 2434.55 2457.11 2544.81 2578.11 2612.99 2745.94 2776.43 4532.18 4558.01 4581.82 4592.61 4605.19 4608.60 4610.44 4621.32 4626.10 4645.80 4655.14 4666.78 4668.47 4686.08 4688.27 4690.67 4695.05 4713.65 4715.26 4727.43 4731.67 4738.24 4757.40 4765.07 4768.38 4778.96 4782.54 4784.60 4785.32 4796.73 4798.10 4841.02 4845.35 4869.15 4871.88 4898.97 4900.10 4926.28 4957.25 0.681779 0.719501 0.720446 0.601657 -2384.628711 -2384.590989 -2384.590044 -2384.708833 3.984203D-04 MUNgauss RevisionA2.0 retrievium 04-Aug-2020 DUDE CCOCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)C(C)(C)CCl C34868466 RHF 6-31G(d) (6D,10F) C1 538.226822 |X|Y|Z| 141.898986 84.264664 53.062463 85.928533 15 6 7 16 13 1 1 |36.858105| |12.564521|36.858105| |8.051267|13.640905|73.516695| |5.207910|8.104772|24.269887|36.858105| |4.038797|5.204028|14.305799|12.535623|36.858105| |3.125672|3.910273|9.075777|7.543202|12.474034|36.858105| |2.645474|3.112917|6.976011|4.970338|7.657218|12.996510|53.358707| |2.411446|2.774516|6.039162|4.097921|5.669877|7.800582|18.045013|36.858105| |2.156542|2.489525|5.184371|3.531522|4.359926|6.106271|10.493486|12.380116|36.858105| |2.087678|2.431581|4.984391|3.447226|4.109515|6.000659|9.565891|8.012435|15.863970|73.516695| |1.995196|2.263953|4.609793|3.030360|3.558232|4.469593|6.999110|7.658908|14.030277|15.134291|53.358707| |1.799577|2.034185|4.026663|2.623113|2.931377|3.605479|5.317272|4.971406|7.883801|12.594127|17.724823|36.858105| |1.604201|1.789293|3.517711|2.255140|2.522148|3.052148|4.647150|4.155697|5.938644|10.424905|10.375743|12.418617|36.858105| |1.466982|1.628243|3.142555|1.994800|2.166600|2.561165|3.747495|3.171058|4.185935|7.728722|6.767084|7.551450|12.589307|36.858105| |1.434267|1.598516|3.060044|1.950905|2.090424|2.482265|3.563438|2.889035|3.744575|7.372785|5.566777|5.681840|7.570034|13.862815|36.858105| |1.322717|1.464009|2.767128|1.743536|1.836895|2.131522|3.006967|2.393701|2.959015|5.719367|4.358233|4.170790|5.007859|7.909042|13.641607|36.858105| |1.253658|1.375896|2.590081|1.613165|1.693629|1.929776|2.720169|2.185791|2.642610|4.927400|3.991898|3.759018|4.413630|6.795445|7.904575|13.850632|36.858105| |1.275140|1.394331|2.639056|1.637179|1.733096|1.965485|2.799153|2.301816|2.786429|5.027968|4.380282|4.188296|5.007448|7.859755|6.866698|7.938460|13.518678|36.858105| |1.373200|1.508027|2.887030|1.803759|1.939033|2.227905|3.226682|2.726066|3.404584|6.035613|5.594205|5.704891|7.530326|13.591066|7.989864|6.914391|7.915336|13.840719|36.858105| |1.197712|1.298713|2.443903|1.499120|1.577246|1.757863|2.491391|2.039631|2.396041|4.256810|3.747368|3.400136|3.853564|5.170158|4.624912|5.300963|8.165463|14.142289|7.892064|73.516695| |1.195878|1.289116|2.431918|1.481322|1.565351|1.727466|2.462236|2.039947|2.360349|4.090758|3.755246|3.312430|3.677844|4.507854|3.804510|3.994835|5.248279|8.033817|6.744052|24.263268|36.858105| |1.165747|1.271904|2.374094|1.465946|1.523919|1.711908|2.391637|1.896756|2.233352|4.146730|3.321349|2.992673|3.365583|4.592579|5.183104|7.882755|14.139762|8.156639|5.291236|13.132636|4.795575|73.516695| |1.133001|1.237023|2.296398|1.417911|1.463333|1.641466|2.275178|1.773367|2.068202|3.898443|2.999367|2.642762|2.920395|3.783971|4.513475|6.743099|8.042591|5.247541|3.991003|8.522563|3.550647|24.247335|36.858105| |1.968767|2.187283|4.453076|2.823034|3.309088|3.829588|5.972180|6.502122|7.635557|9.445332|17.858047|7.674362|5.693105|4.103970|3.340064|2.750678|2.628317|2.963947|3.729963|4.689122|2.752075|3.972295|2.002654|36.858105| |2.034338|2.250963|4.512865|2.814085|3.158665|3.479041|4.995431|4.901915|5.397070|7.430924|10.429117|6.040211|4.412098|3.563659|2.975722|2.547482|2.489269|2.812720|3.413017|4.571136|2.718048|3.832030|1.931322|12.629021|36.858105| |1.853047|2.011322|3.947938|2.398444|2.621003|2.801812|3.980961|3.674444|3.956529|5.825750|7.095608|4.741516|3.804152|3.270704|2.726227|2.405434|2.422971|2.792648|3.321984|4.690332|2.884129|3.784299|1.889273|7.453073|14.147535|36.858105| |1.908631|2.058106|3.970609|2.373803|2.510841|2.606819|3.564560|3.138664|3.297547|5.036231|5.485337|3.785284|3.079756|2.772746|2.399644|2.172470|2.198959|2.483732|2.833200|4.247962|2.589587|3.507427|1.770788|5.031028|8.190352|13.255524|36.858105| |2.169456|2.371152|4.576324|2.749892|2.857110|2.930043|3.866691|3.355802|3.479472|5.327803|5.574516|3.755479|2.963074|2.656486|2.355661|2.125992|2.112367|2.326868|2.632477|3.922320|2.324114|3.374766|1.728525|4.808132|7.675966|8.243426|14.183846|36.858105| |2.398888|2.710840|5.436578|3.424280|3.700656|3.948078|5.178080|4.731966|4.944213|7.154543|7.978328|4.839797|3.546052|3.014252|2.667274|2.328835|2.246998|2.447565|2.843552|3.995025|2.316156|3.521009|1.812559|6.705197|10.970257|7.474510|7.464140|11.030946|388.023441| |2.455157|2.825416|6.181970|4.191797|5.928161|7.916756|18.954334|7.525878|5.524288|9.902201|5.478982|3.275323|3.050312|2.517250|2.437084|2.078437|1.874655|1.909723|2.174119|3.032782|1.679139|2.952784|1.594480|3.526162|2.970431|2.469119|2.225565|2.367162|21.309782|36.858105| |2.581373|2.997136|6.521305|4.436501|5.961900|7.305855|11.714548|5.318322|4.323760|8.107453|4.520253|2.828911|2.646363|2.258186|2.230983|1.936110|1.745166|1.756966|1.966785|2.805369|1.544852|2.777985|1.516347|2.936666|2.573765|2.183512|2.010714|2.153679|18.955434|15.848029|73.516695| |2.094990|2.328932|4.930737|3.156339|4.118461|4.903601|10.066772|6.082562|4.794022|8.395893|5.092216|3.095281|3.048049|2.502678|2.398643|2.046556|1.856780|1.903471|2.173871|3.031805|1.687578|2.924661|1.573419|3.392943|2.782043|2.363422|2.097349|2.169885|18.942001|12.213741|14.258480|36.858105| |1.977214|2.170998|4.498736|2.814795|3.479298|3.916132|6.825952|4.134137|3.540724|6.471604|3.957783|2.534148|2.540282|2.172121|2.129157|1.855886|1.685556|1.705837|1.908871|2.738126|1.516052|2.690203|1.464919|2.666955|2.273765|1.984773|1.795521|1.855527|15.718681|7.658349|13.008580|12.381423|36.858105| |2.101459|2.280937|4.857124|2.987125|3.909965|4.233888|8.204333|5.685447|4.219972|6.853833|4.801406|2.866821|2.800735|2.306059|2.163384|1.868456|1.729932|1.800838|2.056952|2.909603|1.645823|2.741659|1.463862|3.450976|2.846821|2.445313|2.163107|2.216887|19.086282|7.473528|9.955375|12.346219|7.662811|36.858105| |1.867449|2.078118|4.292019|2.763066|3.435466|4.258064|8.267007|5.901044|5.465768|9.969454|5.820057|3.614639|3.762138|2.997891|2.859951|2.378329|2.128398|2.183119|2.534063|3.421197|1.891012|3.301428|1.765949|3.710167|2.920806|2.479345|2.155295|2.193638|19.112808|7.534201|9.889413|12.365944|7.604383|7.384348|36.858105| |1.614108|1.755917|3.551499|2.210514|2.640755|3.054144|5.351778|4.034514|3.874187|6.881723|4.638664|3.035841|3.344321|2.764585|2.621168|2.229660|2.030853|2.095660|2.406994|3.327594|1.853518|3.180656|1.698191|3.152485|2.531821|2.235506|1.943210|1.933193|16.166526|4.556583|6.775295|6.799035|5.926815|5.898819|10.565427|448.794386| |17.547018|8.850033|10.228172|4.248619|3.355183|2.726991|3.175775|2.148307|1.959546|3.398734|2.490490|1.674025|1.499567|1.385069|1.360411|1.263869|1.200933|1.217553|1.302353|2.040354|1.144120|1.995835|1.094816|1.802452|1.871236|1.722851|1.786609|2.022413|15.608922|2.181997|4.079734|1.886061|1.795116|1.881605|1.703384|11.935184|0.500000| |17.569927|8.861724|12.886313|4.824805|3.949178|3.052162|3.577296|2.450072|2.176510|3.689373|2.773437|1.826116|1.620966|1.477597|1.432913|1.320307|1.257925|1.287879|1.390572|2.157399|1.218735|2.077798|1.130297|2.043980|2.138232|1.957304|2.033817|2.323805|18.069157|2.407763|4.406337|2.075847|1.935941|2.117695|1.855918|12.943045|0.300345|0.500000| |17.572622|8.864675|12.892529|4.826982|3.963956|3.052121|3.582938|2.366792|2.093634|3.613000|2.617102|1.729483|1.558041|1.421801|1.391586|1.282359|1.213705|1.233368|1.328654|2.058907|1.156285|2.006901|1.098652|1.897034|1.931198|1.759253|1.791234|2.007692|15.840231|2.500246|4.735175|2.145498|2.053059|2.162506|1.886625|13.140426|0.300354|0.301129|0.500000| |8.843686|17.478015|16.556333|7.273065|4.745316|3.773694|4.073118|2.739008|2.514759|4.359417|3.158247|2.103517|1.829110|1.673518|1.642049|1.507935|1.420711|1.440610|1.555187|2.387844|1.332766|2.336270|1.276505|2.240996|2.351771|2.106863|2.188213|2.564089|20.686333|2.661955|4.924610|2.208698|2.038091|2.157100|2.010586|13.666348|0.212469|0.211814|0.173312|0.500000| |8.845072|17.486226|16.560860|7.276625|4.769532|3.772655|4.080667|2.623854|2.389118|4.234463|2.932868|1.959453|1.740039|1.593677|1.580615|1.452078|1.357888|1.365493|1.469973|2.256320|1.252314|2.236796|1.231416|2.051389|2.084311|1.865618|1.894260|2.156938|17.517543|2.787883|5.395355|2.292718|2.175627|2.204184|2.049477|13.897531|0.212524|0.173304|0.211872|0.301597|0.500000| |4.753330|7.243920|16.565109|17.458684|8.817297|6.910042|6.282733|4.064201|3.668476|6.336639|4.379237|2.811566|2.360816|2.098065|2.048203|1.831650|1.697451|1.725049|1.900793|2.805516|1.557972|2.737982|1.485690|2.980928|3.056953|2.590613|2.601698|3.093109|27.805960|3.762511|6.815162|2.907569|2.563854|2.752582|2.638965|17.058517|0.112373|0.126517|0.116539|0.218240|0.176332|0.500000| |4.766460|7.301843|16.551609|17.482396|8.841913|6.841069|6.260932|3.691549|3.295040|5.951318|3.818880|2.487643|2.173586|1.944234|1.930831|1.733254|1.592415|1.598944|1.749074|2.596663|1.432144|2.580835|1.415860|2.564457|2.522098|2.172181|2.140477|2.441241|21.203060|4.115061|8.199977|3.089189|2.840323|2.834959|2.715967|17.444462|0.112831|0.116753|0.126500|0.178424|0.220399|0.301431|0.500000| |3.972022|4.855589|12.949348|8.930698|17.593503|8.872847|9.504978|4.985489|3.822670|6.519705|4.274985|2.624883|2.328558|2.012073|1.950872|1.723521|1.590350|1.622589|1.806129|2.634428|1.470989|2.556039|1.386165|2.952963|2.774638|2.350594|2.242428|2.496092|22.154403|6.372486|12.391509|4.419292|3.870445|4.225607|3.486695|21.688035|0.091373|0.106086|0.114091|0.116996|0.127957|0.173805|0.214309|0.500000| |4.006347|4.877151|13.173431|8.940852|17.528350|8.820995|9.449331|5.967050|4.385811|6.944210|5.056672|2.985591|2.542680|2.167927|2.056577|1.807829|1.684534|1.744407|1.962028|2.838332|1.600659|2.693228|1.443424|3.620874|3.520083|2.897909|2.781907|3.194747|29.847741|5.218890|8.668779|3.916548|3.238767|3.967895|3.308254|20.879501|0.091817|0.114686|0.107885|0.126902|0.117850|0.211292|0.174119|0.302440|0.500000| |3.008716|3.779066|8.391346|6.863692|8.832122|17.585169|12.539273|7.788496|7.048659|12.036257|7.104297|4.182564|3.353045|2.803242|2.699308|2.302319|2.082902|2.129074|2.428495|3.367255|1.858491|3.263442|1.750219|4.311717|4.015828|3.147582|2.935989|3.375583|34.116800|5.865390|9.408764|4.137159|3.330227|3.671119|3.875636|22.954364|0.073917|0.082627|0.079563|0.106224|0.099923|0.206514|0.168252|0.173755|0.211624|0.500000| |3.000937|3.781718|8.355863|6.891232|8.824580|17.671722|12.480549|5.871797|5.207173|10.110164|5.302224|3.327344|2.897437|2.485725|2.470385|2.134189|1.911521|1.917196|2.148339|3.039688|1.662867|3.027006|1.650672|3.287897|2.997573|2.477624|2.321832|2.582032|23.761166|7.559221|14.663725|4.702679|3.999879|3.847595|4.141980|23.922036|0.073860|0.079390|0.082093|0.100603|0.106243|0.172156|0.204815|0.211296|0.173198|0.304261|0.500000| |2.215087|2.482413|5.327555|3.453353|4.625368|5.670611|12.418699|17.707956|8.890576|11.263970|9.178331|4.550731|4.084068|3.092392|2.778599|2.311083|2.129959|2.263692|2.691165|3.588217|2.038115|3.291820|1.724260|6.436607|4.609778|3.583282|3.000761|3.098498|29.333652|6.984878|8.676003|6.892896|4.430525|7.189376|6.808979|38.148492|0.055074|0.062832|0.061050|0.067557|0.065351|0.093694|0.087550|0.120609|0.137467|0.150993|0.128683|0.500000| |2.615189|3.007586|6.647001|4.447834|6.167303|7.406778|12.648680|17.585922|8.807263|10.781315|9.595229|4.637566|3.737440|2.936492|2.657814|2.243414|2.082093|2.210004|2.597278|3.527924|2.005636|3.238682|1.698433|6.914070|5.705520|4.131045|3.572050|3.932252|41.878596|5.794986|8.032242|4.758478|3.493352|4.835844|4.465852|26.924061|0.064148|0.075108|0.070454|0.083279|0.077061|0.125364|0.106051|0.142627|0.202328|0.220828|0.148135|0.306767|0.500000| |1.753399|1.965498|3.848842|2.465331|2.700293|3.189512|4.576876|4.209849|5.844701|9.191223|12.555720|17.594961|8.804725|6.896462|5.081418|4.003846|3.820265|4.457564|6.093109|6.584129|3.706313|5.456033|2.656184|7.537698|6.986180|5.765976|4.492619|4.306930|37.530022|2.840234|4.434370|2.693387|2.245351|2.565965|3.048926|21.274436|0.045522|0.049778|0.046542|0.056965|0.052255|0.074166|0.064463|0.067093|0.077590|0.102798|0.081427|0.108727|0.115589|0.500000| |1.852453|2.121835|4.170931|2.764331|3.027429|3.808167|5.360989|4.705935|7.458383|13.976097|12.498417|17.661603|8.850966|6.903068|6.037620|4.416261|3.810652|4.006820|5.092503|5.747350|3.049532|5.417580|2.750468|5.752268|5.013239|4.025609|3.434409|3.549260|32.614933|3.298713|5.174096|3.016659|2.510334|2.722522|3.471953|22.921779|0.048016|0.051776|0.049254|0.061311|0.057240|0.083318|0.073774|0.074643|0.083679|0.125880|0.100049|0.114735|0.121499|0.303333|0.500000| |1.623201|1.817271|3.592662|2.321661|2.628237|3.252134|5.083729|4.432103|6.416768|12.347276|9.487918|8.901344|17.591390|8.905569|7.164060|4.719668|3.964438|4.203123|5.648236|5.889753|3.124046|5.514310|2.785645|5.033771|3.852892|3.285316|2.725473|2.676290|23.063099|3.417942|5.225562|3.465295|2.869614|3.066007|4.518628|31.443878|0.042047|0.045268|0.044059|0.051164|0.049434|0.066638|0.062802|0.068082|0.072439|0.097185|0.087137|0.121731|0.105617|0.173971|0.214010|0.500000| |1.553272|1.713512|3.376099|2.132679|2.403275|2.838293|4.402671|4.013223|5.300353|8.676188|9.493726|8.830095|17.522521|8.891743|5.694717|4.219611|3.968505|4.724387|7.111613|6.790195|3.837978|5.546252|2.684146|6.098303|4.544290|4.033974|3.160154|2.948174|24.518608|2.919491|4.470662|3.007775|2.498481|2.856637|3.705089|27.738992|0.040286|0.043855|0.042042|0.048464|0.046049|0.061541|0.056675|0.062183|0.068311|0.085148|0.073934|0.114939|0.101613|0.210378|0.173728|0.303113|0.500000| |1.493141|1.676236|3.220675|2.075788|2.232568|2.703088|3.883814|3.084137|4.051232|8.475361|5.679946|5.534979|6.994738|8.949332|17.710227|8.914470|5.646541|4.948340|5.656668|6.520462|3.140530|7.447412|3.920539|3.291773|2.889410|2.589722|2.292404|2.290502|18.843071|2.678756|4.373777|2.615049|2.325566|2.299282|3.158553|22.648221|0.039257|0.041200|0.040339|0.047635|0.046316|0.060248|0.057594|0.057978|0.060199|0.081249|0.075931|0.081497|0.077284|0.129502|0.173593|0.214572|0.144060|0.500000| |1.293474|1.432670|2.692299|1.695999|1.771968|2.050903|2.864579|2.232717|2.713982|5.332892|3.876520|3.560598|4.098420|5.655615|8.932849|17.760196|8.948633|5.636937|4.977038|7.594562|3.331261|12.551381|7.509221|2.450915|2.284673|2.152280|1.972727|1.952882|15.199537|2.001997|3.358811|1.962849|1.805990|1.778550|2.262410|17.013920|0.034446|0.035690|0.034879|0.040941|0.039728|0.049354|0.047261|0.046392|0.048044|0.061112|0.057792|0.059651|0.058063|0.094038|0.107163|0.112409|0.097400|0.217118|0.500000| |1.379413|1.506565|2.893963|1.795456|1.941343|2.206381|3.220745|2.771608|3.397966|5.794374|5.776489|5.625849|7.032279|8.914230|5.682696|4.975450|5.633124|8.967728|17.742315|12.619972|7.550998|7.596627|3.331839|4.094385|3.763829|3.780920|3.131210|2.819858|21.306285|2.157205|3.444491|2.171528|1.892464|2.094956|2.511253|19.330736|0.036265|0.039033|0.037070|0.043142|0.040535|0.052514|0.047936|0.050216|0.055226|0.066711|0.058335|0.077021|0.074292|0.177595|0.131060|0.143874|0.214150|0.124487|0.107967|0.500000| |1.189697|1.279768|2.427202|1.476986|1.575330|1.740226|2.513906|2.094851|2.412368|4.153950|3.841202|3.334563|3.848886|4.578963|3.757888|3.804498|4.755298|7.050601|6.743039|16.446191|17.549192|7.523820|3.242586|2.846104|2.738921|2.894055|2.541701|2.268553|16.263922|1.723876|2.803375|1.755208|1.573478|1.720187|1.983432|15.855996|0.031526|0.033701|0.032074|0.036568|0.034516|0.042881|0.039623|0.041308|0.044832|0.051643|0.046421|0.058912|0.056852|0.101622|0.083462|0.091082|0.116485|0.086957|0.088299|0.226854|0.500000| |1.260875|1.361521|2.571434|1.567543|1.654984|1.823920|2.587657|2.166423|2.516736|4.301430|4.093586|3.636510|3.856617|4.572590|3.750940|3.796892|4.746187|7.041654|6.739121|16.445739|17.546819|7.509982|3.235838|3.046903|3.091604|3.356711|3.006629|2.651302|18.498124|1.742863|2.840973|1.736174|1.546624|1.700570|1.932432|14.991393|0.033465|0.035818|0.033733|0.039272|0.036572|0.046089|0.041846|0.042906|0.047285|0.054995|0.048405|0.059756|0.059807|0.118145|0.091933|0.088926|0.111673|0.086799|0.088118|0.226860|0.298926|0.500000| |1.130273|1.212041|2.273834|1.375736|1.444642|1.578721|2.237179|1.834421|2.086508|3.623425|3.263721|2.801620|3.043554|3.612442|3.191966|3.418320|4.411159|5.891133|4.913434|17.032645|17.643705|7.777310|3.345689|2.410806|2.412552|2.582838|2.375261|2.137315|14.907788|1.534008|2.526159|1.541639|1.397127|1.509900|1.709933|13.530198|0.030144|0.032008|0.030366|0.034814|0.032731|0.040134|0.037002|0.037842|0.041032|0.046957|0.042325|0.050938|0.050347|0.086162|0.072756|0.073785|0.087792|0.075180|0.082085|0.147123|0.299976|0.299994|0.500000| |1.118816|1.221246|2.273140|1.404904|1.456900|1.639741|2.288612|1.773884|2.064247|3.924043|2.957024|2.580497|2.915503|3.738229|4.581753|6.745103|7.059280|4.756303|3.801211|7.523961|3.243278|16.443777|17.551045|1.963961|1.866692|1.811976|1.686999|1.649623|12.421114|1.619551|2.741377|1.610161|1.508135|1.489395|1.820725|14.174057|0.029991|0.030938|0.030249|0.034838|0.033861|0.040640|0.039107|0.038532|0.039775|0.048205|0.046024|0.048136|0.046802|0.070664|0.074425|0.079023|0.074519|0.113442|0.225737|0.088299|0.085183|0.081757|0.084419|0.500000| |1.072535|1.164968|2.153115|1.320408|1.356952|1.506971|2.083003|1.618904|1.861178|3.476703|2.695741|2.331544|2.539557|3.176902|3.616506|4.912436|5.893196|4.407153|3.414159|7.766878|3.343609|17.025256|17.643812|1.827229|1.778881|1.757724|1.662770|1.619318|11.923720|1.463396|2.483254|1.446179|1.353457|1.355116|1.608310|12.497982|0.028874|0.029747|0.028895|0.033401|0.032208|0.038389|0.036608|0.035798|0.037264|0.044479|0.042043|0.043851|0.043333|0.065684|0.066870|0.067282|0.065989|0.089153|0.146559|0.082088|0.084352|0.084194|0.090779|0.299942|0.500000| |1.177344|1.291725|2.390270|1.482270|1.519200|1.709388|2.343851|1.816292|2.128219|4.048770|3.066234|2.712012|2.918008|3.735005|4.578759|6.744123|7.055891|4.751116|3.797418|7.513566|3.237312|16.443042|17.550526|2.024818|1.965797|1.908475|1.802227|1.778953|13.325974|1.635461|2.777233|1.595483|1.484698|1.476322|1.781187|13.546024|0.031646|0.032547|0.031628|0.037153|0.035803|0.043343|0.041249|0.039821|0.041451|0.050901|0.047972|0.048576|0.048392|0.075521|0.080254|0.077611|0.073162|0.113372|0.225829|0.088182|0.081781|0.084838|0.084261|0.299000|0.299948|0.500000| |1.773960|1.946174|3.906717|2.438687|2.812088|3.205522|5.010585|5.072643|5.927127|8.085302|12.490803|7.174203|6.196236|4.433583|3.459164|2.853554|2.777299|3.224796|4.169919|5.123498|3.075175|4.171229|2.072304|17.562156|9.030362|7.164289|4.687847|4.186002|36.387117|3.123624|4.682712|3.135265|2.514632|3.213030|3.526990|25.433905|0.045463|0.051065|0.047730|0.055213|0.051065|0.070843|0.062469|0.071383|0.084235|0.097506|0.078800|0.148799|0.141971|0.205115|0.144107|0.145261|0.209077|0.092234|0.069633|0.133457|0.090430|0.094662|0.073886|0.056523|0.052545|0.057459|0.500000| |2.063469|2.278486|4.725274|2.969222|3.609156|4.088766|6.705137|7.786014|7.297323|8.920289|12.448643|5.635344|4.632195|3.453695|2.915479|2.437796|2.322009|2.573613|3.145929|4.124760|2.418042|3.563873|1.820164|17.646884|8.945075|6.062395|4.441816|4.347948|42.469618|3.921464|5.666046|3.823714|2.922560|4.081993|4.038026|27.290997|0.051979|0.059788|0.055655|0.063998|0.059003|0.085221|0.074067|0.090364|0.112670|0.122936|0.095185|0.236266|0.241107|0.147830|0.128081|0.121864|0.138645|0.081263|0.061327|0.094680|0.069916|0.073113|0.059769|0.049948|0.046417|0.051038|0.306105|0.500000| |1.692327|1.821135|3.559284|2.149183|2.355778|2.523401|3.653425|3.341472|3.606714|5.399387|6.419663|4.456555|3.836099|3.333013|2.727970|2.420809|2.478269|2.920017|3.498052|4.977991|3.156692|3.871638|1.912472|6.660528|8.926655|17.726507|8.585622|5.735618|37.742358|2.320917|3.648637|2.276887|1.924748|2.370353|2.421921|18.011615|0.043877|0.049460|0.044982|0.052554|0.047275|0.063563|0.054690|0.059702|0.071573|0.077168|0.062805|0.093487|0.100764|0.149533|0.103072|0.091021|0.118147|0.070990|0.059720|0.114914|0.089659|0.102718|0.078192|0.051027|0.049554|0.053049|0.208915|0.153980|0.500000| |1.771709|1.886069|3.590266|2.117567|2.214191|2.275947|3.109995|2.675835|2.794232|4.366398|4.533805|3.220025|2.729983|2.526544|2.205652|2.034268|2.089120|2.364098|2.639125|4.135395|2.556672|3.380050|1.705622|4.022079|5.712908|8.577500|17.749136|8.920649|37.721828|1.981230|3.213748|1.886030|1.637751|1.950049|1.937023|14.260552|0.046453|0.052476|0.046269|0.055644|0.048403|0.063976|0.053521|0.055656|0.067545|0.070109|0.057091|0.071987|0.082963|0.105040|0.082061|0.067439|0.078300|0.058167|0.051492|0.081269|0.069331|0.082658|0.066216|0.044979|0.044872|0.048022|0.108770|0.101120|0.201482|0.500000| |2.245672|2.439537|4.610327|2.724553|2.741018|2.747072|3.540328|2.963341|3.032454|4.773719|4.659012|3.201252|2.588514|2.371286|2.148187|1.967797|1.956355|2.124707|2.353046|3.610327|2.122728|3.166655|1.637837|3.826444|5.403396|5.687128|8.769913|17.789994|55.351593|2.194097|3.608117|1.998886|1.734591|2.035341|1.999709|14.192641|0.058645|0.067237|0.057063|0.074460|0.061294|0.086014|0.067226|0.066650|0.084569|0.087268|0.068041|0.075808|0.095458|0.099710|0.086516|0.065884|0.070915|0.058303|0.050758|0.069049|0.057168|0.066666|0.054903|0.043341|0.042871|0.047030|0.094298|0.098884|0.122540|0.203604|0.500000| |2.106534|2.295559|4.787817|2.942729|3.640203|3.877742|6.446767|3.817014|3.194597|5.753654|3.618958|2.315274|2.280993|1.972349|1.933307|1.703790|1.558834|1.578392|1.753952|2.553076|1.418259|2.505812|1.367320|2.481498|2.162744|1.898040|1.738228|1.808566|15.224464|7.027475|13.439174|8.784564|17.626061|7.039347|5.513638|36.429576|0.052825|0.057044|0.061592|0.058989|0.064045|0.072910|0.082706|0.117533|0.093532|0.089972|0.109926|0.111496|0.092993|0.057786|0.063961|0.070194|0.062395|0.058205|0.046167|0.048469|0.040721|0.040308|0.036487|0.038935|0.035261|0.038579|0.064566|0.075902|0.050878|0.044163|0.047323|0.500000| |1.797021|1.945780|3.975167|2.443672|2.949785|3.257601|5.548677|3.609874|3.175967|5.740271|3.672581|2.383835|2.442765|2.103822|2.054788|1.801742|1.646489|1.670795|1.864687|2.694166|1.496380|2.635988|1.433820|2.518432|2.145149|1.898179|1.711750|1.748327|14.579973|5.532916|9.200288|8.822517|17.601164|7.017418|6.930483|54.998200|0.045637|0.049157|0.051795|0.051034|0.053994|0.062657|0.068073|0.089614|0.078100|0.079511|0.091219|0.110593|0.086213|0.059114|0.064842|0.076450|0.067741|0.061831|0.048646|0.051532|0.043407|0.042176|0.038386|0.041153|0.036891|0.040104|0.067290|0.076501|0.051723|0.043655|0.045355|0.301016|0.500000| |1.933808|2.143648|4.384681|2.780852|3.344430|3.866166|6.419490|3.835461|3.458459|6.610422|3.845604|2.521274|2.541150|2.201379|2.198677|1.918901|1.724411|1.724384|1.917530|2.753810|1.510206|2.754110|1.511593|2.531568|2.175806|1.902317|1.729987|1.793899|15.173286|6.999224|13.237889|8.739661|17.610525|5.523788|6.952383|42.820051|0.049108|0.052119|0.055573|0.056102|0.060467|0.070724|0.079770|0.101925|0.084511|0.091982|0.115044|0.109548|0.090008|0.061709|0.070608|0.080641|0.068246|0.067651|0.052353|0.052207|0.043363|0.042653|0.038660|0.043413|0.038692|0.042717|0.066357|0.075329|0.051158|0.043902|0.046774|0.303296|0.300677|0.500000| 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|1.900024|2.033701|4.238945|2.562708|3.209936|3.427243|6.172645|4.419553|3.562296|5.899904|4.219855|2.602034|2.613396|2.184419|2.053043|1.788518|1.664641|1.732970|1.967091|2.815802|1.596291|2.651333|1.417136|3.071544|2.558855|2.250120|1.993864|2.016759|16.924768|5.480204|8.008613|8.809692|7.253292|17.605649|6.558912|52.553925|0.047715|0.053188|0.054477|0.053563|0.054873|0.066157|0.068303|0.096018|0.090369|0.084768|0.088897|0.151528|0.107526|0.065303|0.068350|0.079392|0.075013|0.060279|0.047371|0.055746|0.046621|0.045495|0.040828|0.040214|0.036552|0.039477|0.081937|0.098924|0.061534|0.050497|0.051612|0.182217|0.220074|0.144825|0.303994|0.500000| 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