Version2.0 2020-05-10T01:03:37Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 22-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(ccc1O[C@@H](C)C(=O)N[n+]2c(csc2Nc3ccccc3OC)c4ccc(cc4)OC)Cl C38740816 RHF 6-31G(d) (6D,7F) Cc1cc(ccc1O[C@@H](C)C(=O)N[n+]2c(csc2Nc3ccccc3OC)c4ccc(cc4)OC)Cl C01[X(C27H27Cl1N3O4S1)] 183 C1 602 COc1ccc(cc1)c1csc([n+]1NC(=O)[C@@H](Oc1ccc(cc1C)Cl)C)Nc1ccccc1OC COc1ccc(cc1)c1csc([n+]1NC(=O)[C@@H](Oc1ccc(cc1C)Cl)C)Nc1ccccc1OC COc1ccc(cc1)c2csc(Nc3ccccc3OC)[n+]2NC(=O)[C@H](C)Oc4ccc(Cl)cc4C InChIKey=GKQFYPGHHHXDBT-SFHVURJKSA-O InChI=1S/C27H26ClN3O4S/c1-17-15-20(28)11-14-24(17)35-18(2)26(32)30-31-23(19-9-12-21(33-3)13-10-19)16-36-27(31)29-22-7-5-6-8-25(22)34-4/h5-16,18H,1-4H3,(H,30,32)/p+1/t18-/m0/s1 InChI=1/C27H26ClN3O4S/c1-17-15-20(28)11-14-24(17)35-18(2)26(32)30-31-23(19-9-12-21(33-3)13-10-19)16-36-27(31)29-22-7-5-6-8-25(22)34-4/h5-16,18H,1-4H3,(H,30,32)/p+1/t18-/m0/s1/fC27H27ClN3O4S/h29-30H/q+1 Cc1cc(ccc1O[C@@H](C)C(=O)N[n+]2c(csc2Nc3ccccc3OC)c4ccc(cc4)OC)Cl C01[X(C27H27Cl1N3O4S1)] 183 C01 602 COc1ccc(cc1)c1csc([n+]1NC(=O)[C@@H](Oc1ccc(cc1C)Cl)C)Nc1ccccc1OC COc1ccc(cc1)C1=CS[C@H](N1NC(=O)[C@@H](Oc1ccc(cc1C)Cl)C)Nc1ccccc1OC COc1ccc(cc1)C2=CS[C@@H](Nc3ccccc3OC)N2NC(=O)[C@H](C)Oc4ccc(Cl)cc4C InChIKey=QNIUPAWKZOBBAC-MYUZEXMDSA-N InChI=1S/C27H28ClN3O4S/c1-17-15-20(28)11-14-24(17)35-18(2)26(32)30-31-23(19-9-12-21(33-3)13-10-19)16-36-27(31)29-22-7-5-6-8-25(22)34-4/h5-16,18,27,29H,1-4H3,(H,30,32)/t18-,27-/m0/s1 InChI=1/C27H28ClN3O4S/c1-17-15-20(28)11-14-24(17)35-18(2)26(32)30-31-23(19-9-12-21(33-3)13-10-19)16-36-27(31)29-22-7-5-6-8-25(22)34-4/h5-16,18,27,29H,1-4H3,(H,30,32)/t18-,27-/m0/s1/f/h30H 4184.5321542810 -2357.726209 1-A 23731.6754 137 465 602 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|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|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| 9.7969 13.1495 15.0801 21.8350 24.4815 29.5360 37.2710 41.2467 49.2460 71.6608 75.2013 79.9098 91.1632 95.7492 98.2804 107.9818 114.8912 147.5116 177.9195 181.4204 190.1175 218.1988 228.5770 254.1493 258.8538 261.4226 267.1591 272.0657 278.7043 294.2151 299.7544 305.1111 335.5535 338.1755 362.5635 378.1105 407.7077 411.7162 430.7389 455.2016 463.5931 487.2554 496.5581 503.8003 514.0575 525.4321 547.4041 553.7238 582.3371 586.2308 597.9947 603.1929 610.7405 627.9387 634.3878 648.7015 654.4841 680.8701 682.3602 706.6657 721.4176 735.0874 753.7620 764.0821 800.1275 803.9910 818.3275 834.8504 849.5254 856.7793 863.6575 883.7219 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18.92 21.70 31.42 35.22 42.50 53.62 59.34 70.85 103.10 108.20 114.97 131.16 137.76 141.40 155.36 165.30 212.24 255.99 261.02 273.54 313.94 328.87 365.66 372.43 376.13 384.38 391.44 400.99 423.31 431.28 438.99 482.79 486.56 521.65 544.02 586.60 592.37 619.74 654.93 667.01 701.05 714.44 724.86 739.61 755.98 787.59 796.69 837.85 843.46 860.38 867.86 878.72 903.46 912.74 933.34 941.66 979.62 981.76 1016.73 1037.96 1057.63 1084.50 1099.34 1151.21 1156.76 1177.39 1201.16 1222.28 1232.71 1242.61 1271.48 1284.51 1285.64 1307.79 1344.36 1353.92 1372.78 1380.71 1409.68 1430.69 1451.81 1459.46 1499.87 1556.81 1564.62 1568.18 1578.31 1586.02 1589.44 1625.05 1630.88 1641.46 1662.68 1671.83 1682.89 1688.92 1733.06 1749.36 1751.27 1753.25 1778.39 1784.43 1800.09 1811.05 1843.90 1858.54 1859.11 1867.05 1870.65 1892.64 1894.97 1907.44 1915.27 1925.88 1936.51 1948.95 1990.64 2026.56 2039.01 2049.62 2078.82 2082.70 2096.91 2133.74 2176.89 2232.27 2233.80 2246.81 2264.00 2266.61 2294.91 2326.92 2343.88 2345.85 2348.30 2356.32 2356.52 2363.49 2373.57 2375.43 2381.34 2382.90 2390.81 2406.93 2419.41 2435.59 2531.03 2534.34 2558.59 2567.46 2596.71 2598.93 2600.11 2660.72 2902.09 4633.90 4636.08 4645.90 4647.79 4687.29 4715.53 4737.13 4749.98 4754.04 4755.76 4778.90 4820.38 4824.26 4835.20 4862.86 4864.54 4873.09 4874.15 4888.61 4900.47 4902.98 4905.85 4918.41 4920.48 4991.01 5487.25 5546.72 0.536684 0.569144 0.570089 0.465766 -2357.189525 -2357.157065 -2357.156120 -2357.260443 3.499011D-04 MUNgauss RevisionA2.0 retrievium 10-May-2020 DUDE Cc1cc(ccc1O[C@@H](C)C(=O)N[n+]2c(csc2Nc3ccccc3OC)c4ccc(cc4)OC)Cl C38740816 RHF 6-31G(d) (6D,10F) C1 524.141081 |X|Y|Z| 77.495176 40.437392 126.850028 73.527442 28 6 7 8 16 23 3 1 1 |36.858105| |12.614165|36.858105| |7.556333|13.717589|36.858105| |5.016040|7.897729|13.770802|36.858105| |4.414732|6.791332|7.925409|13.796547|36.858105| |5.001799|7.874284|6.907795|8.002846|13.766699|36.858105| |7.523063|13.700032|8.010848|6.937273|7.943498|13.778566|36.858105| |6.707722|8.003618|5.240514|4.618694|5.209724|7.967937|13.814089|73.516695| |4.972180|5.540103|4.126164|3.830243|4.392114|6.272483|7.953925|24.041151|36.858105| |4.234791|5.045550|4.028975|3.978754|4.843262|7.076812|7.419041|16.494824|17.579505|0.500000| |5.070935|5.100250|3.897046|3.488708|3.732703|4.753948|6.020693|13.871681|12.503224|0.246598|36.858105| |3.883652|4.049895|3.202738|3.025762|3.431871|4.559968|5.251490|14.302056|12.531335|0.253527|7.600875|36.858105| |3.204895|3.302257|2.727117|2.617308|2.945137|3.720297|4.063727|9.687744|7.981201|0.197752|6.428223|16.038132|73.516695| |3.861027|3.929412|3.113361|2.916581|3.262401|4.255445|4.943216|13.277410|7.739041|0.169841|5.364013|13.706665|15.054084|53.358707| |3.048709|3.085198|2.569026|2.456691|2.733918|3.391406|3.702244|8.701393|5.148979|0.126245|4.015349|8.114580|12.786491|18.938418|53.358707| |2.617580|2.736696|2.357355|2.324673|2.636730|3.212719|3.296521|7.221927|4.301992|0.114946|3.377243|6.070720|10.531242|10.510698|18.244933|36.858105| |2.254680|2.315207|2.032025|2.002568|2.229955|2.626728|2.691341|5.697342|3.387072|0.090819|2.836072|4.508431|8.337808|7.281389|11.464254|14.397355|36.858105| |2.225891|2.203466|1.921998|1.853845|2.011860|2.344542|2.484812|5.303231|3.139399|0.081047|2.767930|4.153627|7.763526|6.760303|10.256490|7.398701|10.854709|388.023441| |2.771208|2.701671|2.278987|2.155374|2.337154|2.803534|3.090079|6.997371|4.136083|0.101047|3.553061|5.945419|10.402303|11.090389|19.482833|8.206915|7.753584|78.747507|36.858105| |2.940451|2.749526|2.297652|2.126402|2.255015|2.679077|3.046284|6.909323|4.033764|0.095378|3.690503|5.441866|9.347161|9.447287|11.145480|5.345735|5.075838|50.294529|14.564629|53.358707| |2.531594|2.338891|2.001934|1.855183|1.938799|2.240464|2.512618|5.425509|3.144441|0.076555|3.018681|3.915067|6.987669|6.206756|7.093172|4.025361|4.140789|43.635138|7.873439|18.083830|36.858105| |2.296417|2.128552|1.842824|1.716098|1.789439|2.047524|2.273183|4.824415|2.885314|0.071333|2.876517|3.525115|6.619735|5.159004|5.726314|3.455999|3.613664|36.445389|5.759109|10.634628|13.779053|36.858105| |2.024269|1.873113|1.648595|1.539212|1.591182|1.789965|1.968411|4.064788|2.395738|0.060228|2.414137|2.808317|5.226682|4.067523|4.444811|2.819453|2.990692|28.854974|4.177460|6.995799|7.953802|13.767149|36.858105| |1.948043|1.796271|1.591579|1.484463|1.525627|1.702876|1.869486|3.814956|2.191086|0.055262|2.181035|2.523756|4.573134|3.747307|4.092745|2.625629|2.793687|26.605380|3.783766|6.207158|6.943348|7.990869|13.764079|36.858105| |2.084189|1.916096|1.689858|1.570925|1.614026|1.807671|1.994321|4.087546|2.295314|0.057517|2.238343|2.651236|4.680369|4.088208|4.502948|2.844971|3.009891|28.942186|4.216905|7.008172|7.959789|6.856747|7.879223|13.733749|36.858105| |2.384712|2.192200|1.901057|1.760513|1.822278|2.074260|2.313304|4.861968|2.713929|0.066934|2.590745|3.227141|5.599119|5.199608|5.849969|3.503054|3.647201|36.590132|5.856470|10.643891|13.635777|7.862052|6.804543|7.936302|13.728962|36.858105| |2.540903|2.342659|2.026680|1.873812|1.939506|2.211862|2.472637|5.187387|2.791728|0.068768|2.590407|3.282636|5.484897|5.558496|6.225497|3.711844|3.768509|35.372281|5.871087|9.681610|8.200749|5.282815|4.606678|5.203855|7.864934|14.225054|73.516695| |2.305582|2.129952|1.879912|1.744069|1.787571|1.999149|2.208105|4.480376|2.376418|0.059547|2.220317|2.690493|4.498884|4.420489|4.818610|3.060000|3.129470|27.441366|4.178232|6.345760|5.242195|3.967718|3.772715|4.502717|6.694524|8.001683|23.997129|36.858105| |2.648135|2.896121|2.531054|2.572066|3.026319|3.734698|3.607622|7.592071|4.475426|0.128485|3.368705|5.709866|9.507271|8.798759|10.307804|12.877071|7.535465|33.593400|5.162695|5.365362|3.120209|2.765777|2.330984|2.190805|2.351223|2.800008|5.311471|2.576122|36.858105| |2.769259|3.101550|2.743964|2.828811|3.372894|4.139341|3.877171|7.776909|4.175117|0.119692|3.139999|4.778058|7.461134|7.670280|8.008513|7.606425|5.400978|27.422252|4.275639|4.723388|2.806865|2.459333|2.113083|2.028665|2.208163|2.613566|5.114435|2.552555|13.621410|36.858105| |2.631537|3.046915|2.797330|3.007513|3.710998|4.395215|3.799008|7.045205|3.772405|0.113681|2.902603|3.963946|6.314706|5.822838|5.739098|5.059358|4.009669|21.639460|3.295671|3.823182|2.347795|2.106350|1.842912|1.772936|1.907911|2.205547|4.263483|2.178881|7.910314|13.875984|36.858105| |2.415625|2.804507|2.615206|2.861125|3.573144|4.136308|3.478402|6.357842|3.621624|0.114664|2.847360|3.752243|6.260302|5.107240|5.036793|4.462269|3.670765|19.915127|2.969118|3.477383|2.164366|1.989027|1.748063|1.664160|1.761084|2.008626|3.791067|1.935480|6.828058|7.926850|13.611412|36.858105| |2.333949|2.650817|2.430379|2.598863|3.173119|3.737530|3.281562|6.255724|3.811389|0.122358|3.013261|4.151962|7.319405|5.397478|5.477485|5.058174|4.162037|21.905768|3.218629|3.706297|2.295900|2.138381|1.863450|1.748426|1.829325|2.087450|3.865610|1.944151|7.891158|6.863717|7.906011|13.719412|36.858105| |2.432696|2.690879|2.397896|2.482962|2.956077|3.581160|3.337945|6.770135|4.239469|0.130204|3.287426|5.140287|9.337824|6.804155|7.385489|7.670075|5.823369|28.075174|4.129559|4.523856|2.726975|2.516542|2.148365|1.996024|2.093317|2.429375|4.478500|2.201117|13.757103|7.951229|6.886001|7.936357|13.726127|36.858105| |2.245282|2.631526|2.542645|2.866506|3.592598|3.883280|3.171457|5.522836|3.102057|0.098316|2.535294|3.077354|5.166275|4.138773|4.024726|3.402201|2.929625|16.662254|2.465474|2.968242|1.886561|1.750575|1.560059|1.493106|1.573504|1.769971|3.331791|1.727705|4.623415|5.320949|8.234967|14.286828|7.897767|5.216122|73.516695| |2.020272|2.340143|2.286621|2.576623|3.158151|3.320950|2.759683|4.798979|2.778227|0.088729|2.350946|2.744064|4.750006|3.587366|3.508771|2.934554|2.605702|15.108995|2.203540|2.681799|1.728680|1.630337|1.463371|1.394039|1.452851|1.616068|2.999706|1.558798|3.780290|3.985430|5.251061|8.002574|6.702468|4.505847|24.053997|36.858105| |3.652103|4.757706|7.049823|10.960132|7.048337|4.781286|4.248341|5.776762|2.853772|0.082558|2.691236|2.377220|3.776435|3.142262|2.744103|1.940023|1.710900|11.324123|1.805375|2.427418|1.589865|1.485163|1.351828|1.311666|1.381556|1.525003|2.872614|1.527701|2.131798|2.332435|2.511023|2.431541|2.208915|2.085374|4.474862|2.325314|448.794386| |17.575371|8.845857|5.818407|4.275696|3.962561|4.622527|6.790389|12.401970|4.948914|0.113700|4.779605|4.115972|5.927681|5.921986|4.623616|2.842638|2.439304|17.323610|3.099905|4.538544|2.835416|2.508624|2.194432|2.128952|2.316365|2.695277|5.209864|2.641891|2.817971|2.963878|2.743197|2.462285|2.376381|2.520829|4.009592|2.006972|25.791904|0.500000| |17.565796|8.828754|5.954151|4.321333|3.944717|4.524346|6.548748|11.471916|5.335700|0.123013|6.168780|4.084126|6.080184|5.272424|4.151875|2.594126|2.246960|15.966403|2.810725|4.127030|2.618217|2.415404|2.119336|2.011628|2.122807|2.419918|4.479521|2.257229|2.589988|2.630730|2.483970|2.324372|2.295786|2.414209|3.824718|1.963086|26.198001|0.302462|0.500000| |17.602320|8.883545|7.298926|4.774780|3.969818|4.177851|5.578269|8.690774|3.889281|0.095850|4.029702|3.182880|4.826125|4.342899|3.570957|2.295280|2.013762|14.216907|2.429217|3.513133|2.283108|2.088511|1.873570|1.820769|1.944520|2.187951|4.141144|2.158968|2.321387|2.439797|2.348616|2.166950|2.082784|2.148864|3.637739|1.856349|29.819616|0.301678|0.302261|0.500000| |7.008543|8.922553|17.745133|8.958367|5.654701|4.972409|5.674961|7.510718|3.463317|0.092899|3.409086|2.790176|4.305502|3.724914|3.136047|2.113270|1.851415|12.627462|2.086010|2.896180|1.885867|1.744859|1.577174|1.531174|1.623144|1.807762|3.417648|1.803057|2.233580|2.403171|2.435291|2.284553|2.138383|2.118796|3.973599|2.034982|54.139137|0.149712|0.155612|0.224300|0.500000| |3.535716|4.912447|5.642088|8.919880|17.755544|8.902405|5.646535|7.480292|3.758027|0.117871|3.224385|3.076323|4.821025|3.985267|3.442798|2.505478|2.140865|13.577265|2.170712|2.820913|1.797770|1.669115|1.492961|1.433001|1.511034|1.694675|3.197037|1.667483|2.925298|3.275714|3.763202|3.749008|3.253919|2.923963|7.062576|3.528653|53.717201|0.090320|0.089904|0.090453|0.124419|0.500000| |4.084049|5.622341|4.971208|5.676069|8.934459|17.725702|8.927245|12.916685|6.473129|0.224746|4.590592|4.991016|7.292955|6.240251|5.048360|3.641728|2.913319|17.887563|2.979883|3.765514|2.291910|2.095888|1.822157|1.725231|1.828077|2.105050|3.979687|2.009801|4.482260|4.988518|5.500874|5.317067|4.726142|4.395028|8.567158|3.988465|31.632678|0.109306|0.106306|0.096121|0.107875|0.214753|0.500000| |3.950703|3.996925|3.255246|3.017494|3.256804|4.003181|4.637411|10.072595|8.860602|0.214237|17.608744|6.996034|12.444775|6.518037|5.208195|3.302220|2.826296|19.659638|3.455414|4.835516|2.958599|2.908940|2.442036|2.169846|2.187378|2.502792|4.358332|2.100149|3.269468|2.954356|2.741104|2.760026|3.009926|3.304221|4.372118|2.327228|19.397000|0.104822|0.129339|0.091762|0.080633|0.080820|0.111827|0.500000| |5.559872|5.809442|4.491131|3.958359|4.125142|5.082512|6.447426|12.439880|8.878583|0.213639|17.594304|5.533975|8.552467|5.861296|4.561208|2.918604|2.485213|17.120234|2.988812|4.204980|2.606002|2.492384|2.143940|1.963799|2.015942|2.296571|4.115062|2.027553|2.987287|2.869743|2.737545|2.705299|2.802653|2.948992|4.394194|2.309698|24.169453|0.134225|0.194319|0.123619|0.108497|0.097256|0.129236|0.300826|0.500000| |5.469828|4.900249|3.702536|3.207911|3.315175|4.094718|5.336368|12.537116|8.823225|0.173581|17.575863|6.842543|10.307949|7.325345|5.503083|3.275387|2.796822|20.166943|3.729588|5.566502|3.353883|3.180553|2.648371|2.387441|2.455016|2.859077|5.046040|2.408449|3.142402|2.948287|2.678133|2.573659|2.698160|2.981076|4.080552|2.119803|20.211996|0.148856|0.195797|0.119997|0.092599|0.079689|0.108140|0.300043|0.300629|0.500000| |4.304992|4.486841|3.489693|3.250689|3.651771|4.869334|5.790771|15.835784|7.353536|0.164874|4.989639|9.250297|10.902051|25.992788|12.855159|6.573020|4.682314|30.277382|6.290859|7.652395|3.983957|3.300748|2.691738|2.544657|2.816592|3.539119|7.014430|3.243915|6.190840|6.203398|4.700128|3.911592|3.906316|4.672475|5.671900|2.699695|20.245370|0.138660|0.114604|0.097626|0.084036|0.089586|0.143327|0.118955|0.117199|0.138546|0.500000| |2.025760|2.095470|1.871579|1.865512|2.078442|2.403510|2.414051|4.957440|2.934319|0.080519|2.497487|3.708865|6.913178|5.698572|7.860793|8.884481|17.818748|54.807704|5.444152|5.426299|3.454815|3.118050|2.677250|2.528062|2.692483|3.142165|5.747903|2.795755|6.548440|4.941743|3.870558|3.637694|4.148495|5.585667|5.219892|2.643427|12.979751|0.060250|0.055928|0.050809|0.047576|0.056184|0.074226|0.069626|0.061876|0.067895|0.105891|0.500000| |3.453697|3.149039|2.566328|2.331710|2.454903|2.951506|3.474683|8.156822|4.660616|0.105460|4.293957|6.150788|9.783821|10.880278|10.366412|4.888718|4.355568|37.843445|9.678261|25.935649|9.032428|6.277135|4.452031|4.023416|4.518108|6.452509|11.279098|4.388521|3.839338|3.478786|2.847447|2.576526|2.710116|3.247847|3.930314|1.989079|15.468351|0.111182|0.099721|0.082626|0.065808|0.061750|0.083272|0.110792|0.098251|0.137816|0.181619|0.097359|0.500000| |2.329985|2.177613|1.880242|1.756830|1.842632|2.119848|2.348223|5.016962|3.105078|0.076875|3.146079|3.854861|7.575441|5.364904|5.865827|3.555072|3.664743|35.296999|5.673695|9.826031|8.966041|17.723062|8.884329|5.657077|4.944310|5.623656|7.615071|3.323996|2.863648|2.496901|2.148760|2.058052|2.246482|2.659955|3.211611|1.693718|12.162352|0.069745|0.068960|0.058454|0.049214|0.047765|0.060597|0.090706|0.074618|0.096061|0.093054|0.087728|0.168398|0.500000| |1.883982|1.751138|1.553193|1.455768|1.503107|1.679970|1.834905|3.748195|2.232741|0.056714|2.283021|2.580208|4.874364|3.634870|3.920184|2.544962|2.697285|24.971059|3.543405|5.670403|5.653092|8.914449|17.750571|8.896408|5.619449|4.918929|6.502483|3.121561|2.144956|1.941332|1.714525|1.645298|1.761919|2.014329|2.627539|1.398916|10.330951|0.056002|0.055108|0.048685|0.041389|0.039329|0.047513|0.065041|0.056713|0.069033|0.066997|0.068220|0.103445|0.213561|0.500000| |1.776504|1.641844|1.469807|1.374945|1.407231|1.555733|1.696553|3.412158|1.955025|0.049774|1.957414|2.212363|4.011697|3.243801|3.505167|2.300295|2.448788|22.451795|3.128297|4.937221|4.989343|5.670218|8.934587|17.728539|8.967622|5.659045|7.463160|3.907494|1.957367|1.826773|1.616056|1.524669|1.596623|1.801929|2.452480|1.294908|9.843222|0.053503|0.050879|0.046564|0.039495|0.036864|0.043687|0.054236|0.049523|0.059123|0.061882|0.062707|0.091349|0.124181|0.214619|0.500000| |1.968237|1.811488|1.613132|1.501912|1.535316|1.703362|1.869261|3.773002|2.090407|0.052782|2.032895|2.369257|4.143985|3.653037|3.982041|2.573162|2.717255|25.022855|3.577365|5.667555|5.644969|4.948326|5.636599|8.944520|17.774749|8.888146|12.475580|7.420268|2.169047|2.072109|1.806561|1.662092|1.709347|1.932913|2.660003|1.381083|10.688422|0.060732|0.055167|0.051550|0.043281|0.040038|0.047678|0.054905|0.051496|0.061547|0.071374|0.068690|0.105087|0.107456|0.124126|0.217628|0.500000| |2.052112|1.922964|1.716186|1.609750|1.657197|1.841792|2.003313|4.027606|2.167639|0.055057|2.027113|2.461947|4.192010|3.973707|4.435060|2.922350|3.090169|27.420712|3.857951|5.617337|4.756690|3.778595|3.722814|4.564850|6.700837|7.036924|16.412376|17.593143|2.459232|2.418472|2.075880|1.858377|1.875161|2.121022|2.956849|1.508977|11.422264|0.064240|0.056005|0.053594|0.045737|0.043315|0.051818|0.053896|0.051575|0.060366|0.080196|0.078243|0.104694|0.087991|0.086348|0.112866|0.222841|0.500000| |2.288543|2.078930|1.841945|1.695173|1.717496|1.905070|2.117823|4.254353|2.254123|0.056368|2.149965|2.500034|4.186522|4.004417|4.219565|2.678356|2.706384|23.291329|3.595666|5.632545|4.760309|3.783066|3.726315|4.568404|6.705676|7.043534|16.415371|17.595092|2.302377|2.285989|1.985761|1.780951|1.787331|2.001279|2.853930|1.457884|11.987249|0.072723|0.062508|0.060211|0.049557|0.044396|0.052669|0.056425|0.054945|0.065409|0.081771|0.067745|0.111998|0.088117|0.086429|0.112936|0.222919|0.298378|0.500000| |2.401808|2.234843|1.976848|1.836030|1.881589|2.101142|2.315597|4.660868|2.417505|0.060759|2.222314|2.704551|4.442088|4.516010|4.859873|3.120476|3.127057|25.971885|4.008061|5.827059|4.411844|3.404603|3.174726|3.613864|4.891841|5.887819|16.955835|17.667472|2.675113|2.723364|2.320934|2.028089|2.006545|2.255479|3.220860|1.618796|12.890217|0.077149|0.064204|0.062563|0.052580|0.048713|0.058546|0.057799|0.056748|0.066446|0.094925|0.077878|0.115366|0.082137|0.074877|0.088959|0.145336|0.299872|0.299932|0.500000| |2.861403|3.141993|2.764131|2.794040|3.237293|3.917018|3.824020|7.702549|3.921352|0.107469|3.009793|4.458776|6.820908|7.738578|8.148380|7.001129|5.221783|28.089047|4.458930|4.972449|2.953689|2.525380|2.175248|2.119959|2.351990|2.815458|5.692482|2.860612|8.856569|17.698659|8.996825|5.645720|4.946050|5.644578|7.645161|3.333478|18.528858|0.087152|0.074393|0.070287|0.067808|0.085909|0.123933|0.077470|0.076583|0.080591|0.185165|0.130029|0.102146|0.069892|0.054942|0.052880|0.061730|0.074590|0.070305|0.086754|0.500000| |2.607185|3.043646|2.864578|3.126814|3.834832|4.332899|3.695631|6.555133|3.374931|0.100167|2.664847|3.419940|5.416096|5.064243|4.912391|4.106065|3.398685|19.218170|2.922828|3.479717|2.171927|1.946388|1.722230|1.674028|1.809565|2.075822|4.050582|2.108983|5.621249|8.913203|17.747492|8.935469|5.648911|4.961433|13.534134|4.873908|21.257747|0.075411|0.067241|0.065483|0.069512|0.109728|0.143755|0.069206|0.071118|0.069016|0.116363|0.091695|0.072537|0.054680|0.044531|0.042622|0.048053|0.055736|0.053675|0.063084|0.215539|0.500000| |2.153875|2.434800|2.263898|2.433893|2.942374|3.365128|2.954757|5.536360|3.439984|0.111607|2.832259|3.661389|6.679331|4.612025|4.656241|4.132619|3.587307|19.657575|2.845048|3.343887|2.110043|2.000806|1.759378|1.644081|1.701235|1.916619|3.504672|1.772568|5.644326|4.951742|5.618367|8.863158|17.773180|8.957658|12.494482|7.408012|16.918470|0.060204|0.059419|0.053841|0.055774|0.085001|0.115230|0.080241|0.074017|0.070088|0.091570|0.100992|0.067831|0.058791|0.046667|0.041959|0.044200|0.047714|0.045618|0.050451|0.107484|0.123975|0.500000| |2.296743|2.492534|2.220444|2.274748|2.656254|3.174072|3.031641|6.201945|4.045352|0.122838|3.271286|5.059283|10.131310|6.370636|7.104204|7.094036|5.943946|29.358973|4.185143|4.592011|2.798508|2.643310|2.247742|2.056507|2.123863|2.447724|4.406580|2.150020|8.931724|5.647926|4.959728|5.653726|8.946503|17.729104|7.471990|3.905087|15.490132|0.065840|0.064358|0.056551|0.055037|0.072694|0.104848|0.094422|0.080580|0.082571|0.116024|0.159990|0.090094|0.079045|0.059020|0.051542|0.054042|0.057904|0.054507|0.060275|0.123965|0.107684|0.217492|0.500000| |2.101801|2.450234|2.388479|2.700509|3.346310|3.541703|2.914172|5.050362|2.997028|0.098337|2.547007|2.906945|5.073794|3.684185|3.543912|2.914279|2.566568|15.054065|2.223502|2.724362|1.750520|1.662175|1.486889|1.406408|1.457497|1.621584|2.987459|1.542299|3.709943|3.768296|4.724719|6.989148|6.688117|4.550123|16.414532|17.577392|19.390340|0.057412|0.057263|0.053398|0.058739|0.103988|0.119488|0.070699|0.069885|0.062803|0.076236|0.071378|0.056434|0.048354|0.039613|0.036252|0.038318|0.041331|0.040231|0.044249|0.087639|0.119160|0.223607|0.112581|0.500000| 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