Version2.0 2020-01-25T11:39:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccc(cc1)NC(=O)NCCSc2[nH]c(c(n2)c3ccccc3)c4ccc(cc4)N(C)C C35105796 RHF 6-31G(d) (6D,7F) CCOc1ccc(cc1)NC(=O)NCCSc2[nH]c(c(n2)c3ccccc3)c4ccc(cc4)N(C)C C01[X(C28H31N5O2S1)] 195 C1 606 CCOc1ccc(cc1)NC(=O)NCCSc1[nH]c(c(n1)c1ccccc1)c1ccc(cc1)N(C)C CCOc1ccc(cc1)NC(=O)NCCSc1[nH]c(c(n1)c1ccccc1)c1ccc(cc1)N(C)C CCOc1ccc(NC(=O)NCCSc2[nH]c(c3ccc(cc3)N(C)C)c(n2)c4ccccc4)cc1 InChIKey=HYTNFYDZMDMLRS-UHFFFAOYSA-N InChI=1S/C28H31N5O2S/c1-4-35-24-16-12-22(13-17-24)30-27(34)29-18-19-36-28-31-25(20-8-6-5-7-9-20)26(32-28)21-10-14-23(15-11-21)33(2)3/h5-17H,4,18-19H2,1-3H3,(H,31,32)(H2,29,30,34) InChI=1/C28H31N5O2S/c1-4-35-24-16-12-22(13-17-24)30-27(34)29-18-19-36-28-31-25(20-8-6-5-7-9-20)26(32-28)21-10-14-23(15-11-21)33(2)3/h5-17H,4,18-19H2,1-3H3,(H,31,32)(H2,29,30,34)/f/h29-30,32H CCOc1ccc(cc1)NC(=O)NCCSc2[nH]c(c(n2)c3ccccc3)c4ccc(cc4)N(C)C C01[X(C28H31N5O2S1)] 195 C01 606 CCOc1ccc(cc1)NC(=O)NCCSc1[nH]c(c(n1)c1ccccc1)c1ccc(cc1)N(C)C CCOc1ccc(cc1)NC(=O)NCCS[C@H]1NC(=C(N1)c1ccccc1)c1ccc(cc1)N(C)C CCOc1ccc(NC(=O)NCCS[C@@H]2NC(=C(N2)c3ccc(cc3)N(C)C)c4ccccc4)cc1 InChIKey=SNNKQJFSIGPYQW-MUUNZHRXSA-N InChI=1S/C28H33N5O2S/c1-4-35-24-16-12-22(13-17-24)30-27(34)29-18-19-36-28-31-25(20-8-6-5-7-9-20)26(32-28)21-10-14-23(15-11-21)33(2)3/h5-17,28,31-32H,4,18-19H2,1-3H3,(H2,29,30,34)/t28-/m1/s1 InChI=1/C28H33N5O2S/c1-4-35-24-16-12-22(13-17-24)30-27(34)29-18-19-36-28-31-25(20-8-6-5-7-9-20)26(32-28)21-10-14-23(15-11-21)33(2)3/h5-17,28,31-32H,4,18-19H2,1-3H3,(H2,29,30,34)/t28-/m1/s1/f/h29-30H 3523.8896787426 -1897.8631741 1-A 41485.1577 133 473 606 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.95166 -20.58048 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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|A|A|A|A|A|A|A|A|A|A|A|A| 4.3532 5.8712 15.4925 24.0943 27.8156 30.2932 33.9187 44.5179 51.9807 58.8537 64.1749 70.7291 75.7900 96.0084 100.9119 114.3695 117.0679 121.0422 150.1486 172.0192 177.1957 196.2253 203.0480 212.4934 225.2430 259.2251 273.8904 277.6537 281.1904 306.6888 319.3568 332.1620 339.2558 361.5161 377.7813 384.9636 391.3783 413.2033 437.3475 455.8538 458.1715 464.0310 464.9529 468.1847 486.1321 493.7563 513.1367 523.1740 538.7219 573.1707 577.4154 585.4548 602.6224 645.0658 663.5670 669.7679 680.5244 698.2973 701.3764 755.1643 776.0761 777.1453 784.0538 796.6570 803.7061 827.5369 834.9954 840.0514 847.7490 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3254.1413 3262.1822 3280.2324 3281.4964 3295.6453 3300.7321 3320.5411 3322.8452 3346.6010 3349.2296 3351.7040 3357.3982 3363.4414 3378.5596 3381.7650 3386.3324 3390.6801 3393.0719 3398.4300 3404.6741 3405.6807 3433.2034 3857.8544 3870.6968 3902.9007 5.6728 5.7071 3.4302 4.8492 3.5569 5.7943 4.8660 3.7511 4.3168 4.9105 4.3385 5.6009 4.9414 3.4280 2.9249 4.4263 2.1004 4.7186 4.6655 3.4111 2.9324 2.0642 4.3959 4.9273 3.0223 4.0847 4.1811 1.1719 4.0668 2.9169 1.2404 3.2192 4.5776 4.2647 1.8508 4.3785 3.7692 5.3294 3.5671 3.0681 3.1323 3.2990 3.2869 3.4705 5.4266 3.7146 4.6012 1.3523 1.2547 3.8923 6.0531 2.4697 3.8363 2.9650 5.1445 5.5473 6.4701 6.4340 6.7621 5.9304 2.1153 2.6875 6.2706 2.1135 3.3935 3.8500 5.7963 4.6917 6.8949 3.0886 2.2436 2.2979 1.1454 1.2829 3.4625 1.2456 1.8191 1.6985 1.2485 2.2975 3.2966 1.4119 1.4327 7.7278 2.9287 1.3830 5.9788 1.3653 1.4166 5.5106 1.4197 2.6571 3.0024 1.9924 1.9848 2.4071 1.5910 1.5237 3.1389 2.9076 1.7155 2.2349 2.2885 2.2870 1.2529 2.9524 2.7988 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4676.87 4681.98 4693.55 4719.52 4721.34 4741.70 4749.02 4777.52 4780.83 4815.01 4818.79 4822.35 4830.55 4839.24 4860.99 4865.61 4872.18 4878.43 4881.87 4889.58 4898.57 4900.01 4939.61 5550.59 5569.07 5615.40 0.591875 0.624749 0.625693 0.518367 -1897.271299 -1897.238425 -1897.237481 -1897.344807 3.599732D-04 MUNgauss RevisionA2.0 retrievium 25-Jan-2020 DUDE CCOc1ccc(cc1)NC(=O)NCCSc2[nH]c(c(n2)c3ccccc3)c4ccc(cc4)N(C)C C35105796 RHF 6-31G(d) (6D,10F) C1 501.219847 |X|Y|Z| 189.334824 59.942434 45.214862 80.059958 29 6 7 16 24 4 1 |36.858105| |12.572136|36.858105| |8.084261|13.571298|73.516695| |5.228964|7.983722|25.073972|36.858105| |4.084486|5.245914|14.553190|13.667634|36.858105| |3.196618|3.974382|9.399337|7.903689|13.852882|36.858105| |2.969230|3.772471|8.178577|6.819521|7.937068|13.660576|36.858105| |3.335077|4.496629|9.232150|7.944481|6.932585|7.982277|13.815309|36.858105| |4.397374|6.691662|13.974267|13.784953|7.962184|6.866867|7.885647|13.688433|36.858105| |2.435097|2.960436|6.095066|4.526350|5.137788|7.750907|13.449509|7.898827|5.149343|53.358707| |2.172395|2.558975|5.243167|3.701386|4.324801|6.213831|7.710100|5.284970|3.952831|18.914086|36.858105| |2.196425|2.553501|5.321899|3.702411|4.522455|6.432397|6.662019|4.664889|3.742841|11.413596|15.873714|73.516695| |1.899722|2.200463|4.376115|2.974232|3.323668|4.346174|5.232951|4.135050|3.214208|11.322994|13.904808|15.009916|53.358707| |1.701142|1.928376|3.810705|2.511310|2.811859|3.510966|3.885519|3.200166|2.636028|7.120372|7.792711|12.261903|17.908266|36.858105| |1.626341|1.819837|3.618032|2.351621|2.677819|3.302939|3.455907|2.835717|2.403990|5.991506|5.959951|10.179970|10.489963|12.461058|36.858105| |1.432631|1.575278|3.092161|1.958505|2.194148|2.582909|2.642556|2.262807|1.983218|4.278291|3.947283|7.174326|6.377136|6.959312|10.458094|388.023441| |1.364487|1.485615|2.916008|1.825216|2.048785|2.371267|2.372411|2.046911|1.825393|3.732231|3.253658|5.880544|4.980195|4.626944|6.947369|76.955659|36.858105| |1.262590|1.360921|2.655221|1.639994|1.826647|2.069354|2.051563|1.800007|1.630820|3.145025|2.677374|4.899181|3.990205|3.573612|4.725176|49.996977|14.142335|53.358707| |1.226326|1.317763|2.563566|1.576674|1.749238|1.967735|1.949361|1.721367|1.566803|2.964960|2.527779|4.678828|3.742662|3.369426|4.222035|46.220224|9.092501|26.077079|0.500000| |1.227971|1.316595|2.565296|1.573931|1.749854|1.962137|1.930617|1.704197|1.557486|2.920630|2.420735|4.391005|3.545054|3.022454|3.910440|34.857768|8.659570|18.743728|0.249369|36.858105| |1.300133|1.401476|2.742438|1.694034|1.893052|2.143851|2.112624|1.848908|1.678624|3.225611|2.656875|4.742071|3.902801|3.261838|4.391205|35.075708|8.937102|11.935939|0.168922|14.014113|36.858105| |1.395474|1.520658|2.992117|1.875127|2.110935|2.447401|2.439791|2.098327|1.871669|3.834500|3.253769|5.752557|4.918207|4.262214|6.413221|49.506086|14.821313|11.882123|0.169101|8.488478|13.782121|53.358707| |1.287078|1.381841|2.697502|1.656089|1.841964|2.062355|2.023904|1.787100|1.636366|3.045780|2.430436|4.286517|3.508641|2.796108|3.583635|26.136035|5.398457|7.136463|0.115831|7.391801|12.878842|10.476549|36.858105| |1.184093|1.262840|2.442577|1.485278|1.631052|1.799029|1.772926|1.591882|1.470807|2.638372|2.075466|3.650743|2.992630|2.364035|2.893793|21.521702|4.146214|5.864479|0.100487|6.009960|7.586761|7.041446|13.684151|36.858105| |1.163781|1.235901|2.381687|1.439151|1.570953|1.714452|1.686110|1.527672|1.422722|2.479157|1.913134|3.348872|2.726308|2.102232|2.503737|18.002394|3.248248|4.483490|0.079718|4.204832|5.040314|5.363724|7.895145|13.755423|36.858105| |1.236195|1.313705|2.540465|1.535480|1.681037|1.831592|1.790842|1.619462|1.511943|2.615974|1.992060|3.472797|2.802958|2.116538|2.510801|17.327636|3.042124|4.039189|0.072148|3.615788|4.458570|5.097513|6.818781|7.929012|13.754716|36.858105| |1.354842|1.449418|2.831211|1.726693|1.914846|2.111901|2.051125|1.826893|1.693936|3.012472|2.299635|4.005278|3.214097|2.409917|2.922715|19.472309|3.445107|4.388566|0.077176|3.858036|5.067992|6.040596|7.894889|6.888319|7.960312|13.744530|36.858105| |1.387328|1.493537|2.935461|1.808265|2.027095|2.276641|2.213636|1.939860|1.776964|3.312191|2.599023|4.554946|3.677570|2.829731|3.603992|24.171817|4.579766|5.655271|0.095516|5.107734|7.678700|8.829526|13.675673|7.955253|6.889489|7.930263|13.767401|36.858105| |1.136622|1.208060|2.339953|1.419786|1.566191|1.726918|1.691278|1.513016|1.399779|2.513961|2.050664|3.736884|2.958686|2.470429|3.020497|26.153802|5.291943|10.443020|0.192219|12.907465|7.279023|6.995788|5.673104|5.561107|4.066039|3.374142|3.395845|4.131613|36.858105| |1.126158|1.189232|2.305875|1.389033|1.534480|1.674404|1.620597|1.453817|1.358003|2.373342|1.912362|3.505526|2.704948|2.207273|2.656051|21.775589|4.140716|7.177699|0.136226|7.626859|5.805008|5.758668|5.321927|5.462953|4.243284|3.540207|3.497003|4.091541|13.737878|36.858105| |1.049116|1.101100|2.122639|1.268844|1.390911|1.501162|1.453595|1.317418|1.239859|2.109174|1.684005|3.086395|2.370407|1.915789|2.238813|18.172030|3.233404|5.412487|0.108379|5.046658|4.110772|4.419276|3.951225|4.272947|3.620146|3.049032|2.922321|3.235047|7.881616|13.742154|36.858105| |0.990739|1.039680|1.993342|1.190436|1.295792|1.396533|1.363284|1.243482|1.169663|1.982367|1.583046|2.890710|2.245596|1.823850|2.098107|17.324065|2.992708|5.056199|0.105078|4.431661|3.558926|3.975087|3.339648|3.634840|3.117778|2.630215|2.509459|2.756409|6.748280|7.880793|13.692138|36.858105| |0.998037|1.052470|2.015815|1.210078|1.315258|1.427342|1.405438|1.280623|1.196563|2.063783|1.660391|3.018946|2.387290|1.966880|2.268457|19.347175|3.363646|5.919147|0.126013|5.055634|3.848544|4.335317|3.434332|3.679769|3.054909|2.565400|2.476027|2.775184|7.881497|6.914407|7.982434|13.636264|36.858105| |1.063441|1.128328|2.170160|1.312541|1.434166|1.573098|1.553880|1.404161|1.301194|2.307791|1.876703|3.405570|2.727790|2.284164|2.702766|23.852051|4.415892|8.479986|0.177009|7.628402|5.117418|5.565921|4.218175|4.354646|3.399594|2.836172|2.795554|3.258181|13.651390|8.001602|6.913074|7.884561|13.822906|36.858105| |0.928430|0.969641|1.850457|1.098609|1.188774|1.270823|1.240675|1.140309|1.078981|1.790977|1.419118|2.589577|2.003029|1.610898|1.818451|14.762556|2.454472|3.987102|0.083497|3.336940|2.822798|3.268588|2.715907|2.964018|2.666558|2.295744|2.172777|2.324860|4.500116|5.111244|7.728947|13.500911|7.869845|5.159596|53.358707| |0.913410|0.949891|1.811579|1.070472|1.157232|1.229310|1.194449|1.100759|1.047317|1.711606|1.345368|2.454805|1.883297|1.496311|1.682543|13.330587|2.201177|3.470664|0.071414|2.918942|2.572827|2.990750|2.563778|2.823641|2.636649|2.297612|2.149251|2.247065|3.749172|4.500509|6.670841|7.812199|5.145147|3.937681|17.939215|36.858105| |0.902729|0.941212|1.792824|1.062248|1.146859|1.222667|1.194141|1.100575|1.043353|1.719421|1.365555|2.503471|1.923956|1.551809|1.729644|14.149561|2.284548|3.695023|0.079565|2.946416|2.492703|2.978941|2.349187|2.486864|2.246556|1.980976|1.907617|2.048225|3.782984|4.059399|5.394119|7.853516|6.324220|4.420883|17.851280|7.919721|36.858105| |17.576942|8.863773|12.953142|4.873140|4.001158|3.131414|2.858972|3.133642|4.017718|3.216057|2.111329|3.793004|2.520683|1.663398|1.609259|10.080990|1.363540|1.719520|0.033989|1.236110|1.312983|1.909633|1.308454|1.204833|1.189713|1.270291|1.393633|1.418271|1.145745|1.140219|1.062400|1.000037|1.003944|1.068626|1.275846|0.925164|0.909013|0.500000| |17.551723|8.870877|10.252159|4.236953|3.383498|2.770213|2.646931|3.001268|3.843219|3.021608|1.988242|3.546741|2.400875|1.586048|1.512629|9.540447|1.278001|1.614929|0.032062|1.154712|1.219513|1.776439|1.208496|1.117647|1.100478|1.166000|1.270379|1.297109|1.072359|1.061576|0.992283|0.940290|0.947935|1.007576|1.202706|0.869550|0.860162|0.300386|0.500000| |17.577781|8.864374|12.951027|4.880002|4.011575|3.136907|2.863520|3.137669|4.018673|3.215664|2.145999|3.919298|2.547134|1.691423|1.616979|10.199915|1.362633|1.721888|0.034257|1.227081|1.292577|1.886392|1.273595|1.171015|1.147145|1.214052|1.329425|1.367120|1.138291|1.129068|1.053324|0.995028|1.001490|1.065713|1.270209|0.917846|0.909961|0.300996|0.300378|0.500000| |8.847375|17.537072|16.539188|7.108822|4.796838|3.812124|3.754586|4.607481|6.788605|4.045680|2.583372|4.581692|3.031626|1.951468|1.815389|11.213318|1.471372|1.834956|0.036396|1.296214|1.373304|2.034663|1.344916|1.230004|1.198561|1.266233|1.392761|1.442888|1.189233|1.165610|1.080209|1.024043|1.040235|1.115526|1.300602|0.933236|0.930343|0.173392|0.212526|0.212141|0.500000| |8.848853|17.534912|16.536396|7.084922|4.777628|3.801387|3.743619|4.593924|6.782305|4.045853|2.523199|4.382798|2.986984|1.908585|1.804292|11.054855|1.472375|1.831929|0.036073|1.306755|1.397721|2.063709|1.386031|1.269261|1.247258|1.330317|1.466976|1.503259|1.197641|1.177793|1.089919|1.029431|1.042911|1.118783|1.306566|0.940867|0.929269|0.212128|0.212610|0.173410|0.301035|0.500000| |4.111781|4.867018|13.486701|8.958415|17.736645|8.935016|5.639493|4.984487|5.674073|5.654582|3.727661|7.160570|4.018417|2.586049|2.521916|15.006039|1.999358|2.450949|0.048003|1.735774|1.870030|2.805117|1.826480|1.620331|1.564745|1.677465|1.909232|2.013258|1.564346|1.546461|1.405525|1.303951|1.315072|1.427950|1.631174|1.171450|1.156652|0.115322|0.093146|0.115700|0.120641|0.120180|0.500000| |2.807626|3.326530|7.609387|5.638505|8.968871|17.788134|8.903066|5.671537|4.954351|9.633813|6.646610|13.500434|6.244336|3.823791|3.732858|20.431914|2.652015|3.122097|0.060296|2.169686|2.382761|3.735621|2.274558|1.955807|1.849092|1.976789|2.307524|2.526031|1.892195|1.836276|1.631981|1.507447|1.538841|1.705783|1.855335|1.316736|1.308474|0.077455|0.068250|0.077613|0.088624|0.088371|0.215399|0.500000| |2.979337|3.901866|7.450081|5.660103|4.980960|5.658117|8.941691|17.691620|8.941365|9.877040|4.972792|7.491158|5.672925|3.193733|2.770778|15.809744|1.996528|2.390349|0.046705|1.658678|1.796016|2.776833|1.733946|1.553451|1.490504|1.572325|1.760953|1.867449|1.473523|1.407957|1.278449|1.213343|1.255292|1.376510|1.516384|1.072890|1.076021|0.077538|0.076680|0.077646|0.113828|0.113476|0.108027|0.124352|0.500000| |4.662973|7.385479|12.438543|8.874863|5.639911|4.952905|5.646685|8.952721|17.763585|5.713071|3.341144|5.603998|3.859820|2.365530|2.156342|12.875239|1.671613|2.048352|0.040285|1.440826|1.545771|2.328122|1.511822|1.371033|1.331539|1.411401|1.566845|1.632389|1.303504|1.265235|1.161587|1.100438|1.125797|1.218920|1.387632|0.990651|0.987420|0.114682|0.117754|0.114565|0.224940|0.225806|0.124252|0.107616|0.217962|0.500000| |2.321968|2.820134|5.610938|4.057494|4.305686|5.792936|9.306535|7.455746|4.847988|26.067847|9.421286|10.889765|10.785511|4.946617|4.101823|21.223788|2.613013|3.008440|0.057846|2.060333|2.277243|3.667166|2.164735|1.893311|1.786797|1.882183|2.149264|2.342413|1.779081|1.673069|1.492312|1.410198|1.473178|1.645158|1.738361|1.219795|1.225197|0.062497|0.059613|0.061974|0.079137|0.080226|0.098514|0.145665|0.223507|0.115108|0.500000| |1.859791|2.156286|4.241118|2.869786|3.140511|4.023514|4.949531|4.070091|3.152378|10.656566|9.371512|10.922657|26.046366|9.111744|6.672337|30.168076|3.491577|3.822385|0.072433|2.542983|2.842110|4.843818|2.605004|2.234079|2.050736|2.119411|2.429453|2.751955|2.125525|1.943749|1.705809|1.617665|1.720060|1.963162|1.966886|1.361744|1.381078|0.050566|0.048214|0.050422|0.060338|0.060579|0.077304|0.115032|0.117403|0.078208|0.241416|0.500000| |1.722006|1.945882|3.856361|2.530706|2.846869|3.521282|3.805888|3.145628|2.627942|6.612680|7.336024|13.555194|12.626436|17.650545|8.824266|46.229621|4.252539|4.661816|0.092436|2.865918|3.001696|5.159991|2.566433|2.191656|1.953756|1.960475|2.214539|2.580643|2.386068|2.146542|1.877749|1.792803|1.927870|2.220394|2.164731|1.476276|1.546488|0.046525|0.044519|0.047985|0.055072|0.052891|0.073235|0.107034|0.086166|0.065434|0.123426|0.180911|0.500000| |1.586680|1.790332|3.482240|2.266985|2.476894|3.002412|3.360184|2.892914|2.407413|5.977748|5.788363|9.027229|12.610263|17.583465|8.825147|46.641674|4.364685|4.701165|0.091339|2.913399|3.101011|5.404705|2.664054|2.295631|2.041357|2.032926|2.275950|2.645378|2.404220|2.125187|1.858857|1.792228|1.953257|2.267193|2.161567|1.467822|1.533335|0.043030|0.041430|0.043724|0.050549|0.049481|0.063423|0.088418|0.082214|0.061100|0.122199|0.223900|0.302418|0.500000| |1.588649|1.777174|3.511286|2.276060|2.562793|3.133539|3.320331|2.765041|2.343999|5.774607|5.286708|8.473490|9.449447|8.789234|17.636493|56.750236|6.804160|6.261709|0.110423|4.001836|4.755356|9.816964|3.975875|3.171545|2.741681|2.763978|3.250831|4.047417|3.056155|2.680874|2.250482|2.104663|2.276639|2.721898|2.479127|1.690405|1.713960|0.043873|0.041174|0.043557|0.048988|0.049434|0.066872|0.096738|0.075804|0.058761|0.113903|0.193065|0.173032|0.210639|0.500000| |1.722566|1.926566|3.890117|2.538906|2.973217|3.727912|3.738535|2.977458|2.541808|6.320606|6.371268|11.862367|9.441568|8.831628|17.646165|56.400608|6.409636|6.179933|0.112675|3.881320|4.410450|8.518975|3.661117|2.907047|2.533990|2.582225|3.067363|3.810002|3.019860|2.723639|2.284286|2.106371|2.238219|2.643964|2.484839|1.703547|1.733572|0.047533|0.044156|0.047719|0.053018|0.052757|0.078540|0.122456|0.078737|0.062495|0.114567|0.162943|0.212403|0.173395|0.301163|0.500000| |1.124719|1.197405|2.306396|1.399192|1.529021|1.681709|1.664526|1.502458|1.389422|2.478143|1.959656|3.457376|2.844537|2.276119|2.754225|21.310996|4.096410|6.145480|0.106932|6.462957|6.983663|6.515701|8.903738|17.738350|8.942913|5.650547|4.961836|5.651001|6.611186|6.140322|4.856890|4.255754|4.432884|5.333182|4.597934|3.131448|2.776125|0.031690|0.029567|0.030965|0.032529|0.033370|0.042158|0.050567|0.040892|0.036105|0.049527|0.058737|0.059030|0.062137|0.082761|0.075712|0.500000| |1.094349|1.157456|2.217528|1.332642|1.443981|1.563891|1.542187|1.409929|1.319521|2.255434|1.732665|3.033669|2.468519|1.900709|2.220695|16.137479|2.836524|3.984651|0.072467|3.653657|4.104621|4.501343|5.631182|8.934814|17.709511|8.911458|5.652046|4.960016|3.713403|3.913361|3.530283|3.115177|3.020897|3.248462|3.707880|2.729397|2.271281|0.031065|0.028846|0.029972|0.031224|0.032463|0.039976|0.046512|0.038342|0.034488|0.045342|0.051582|0.049370|0.051694|0.066943|0.061997|0.216398|0.500000| |1.207908|1.277880|2.459449|1.476758|1.605165|1.730808|1.691881|1.544810|1.453126|2.446404|1.840138|3.202265|2.571612|1.919491|2.229398|15.292265|2.600107|3.460223|0.062965|3.010287|3.561939|4.226324|4.923348|5.639688|8.904813|17.711631|8.900372|5.640350|2.873043|3.037769|2.713985|2.376055|2.298666|2.484515|2.888595|2.155550|1.842382|0.034590|0.031726|0.032878|0.034129|0.036051|0.044579|0.051450|0.041703|0.037860|0.049082|0.054156|0.049620|0.051373|0.067686|0.063649|0.124242|0.214532|0.500000| |1.428189|1.528104|2.993768|1.823981|2.025807|2.223257|2.144515|1.911541|1.781031|3.113793|2.335074|4.052352|3.211035|2.352974|2.803057|18.126319|3.077182|3.867015|0.069136|3.264446|4.130503|5.249553|5.630038|4.959306|5.652805|8.909850|17.708882|8.935854|2.896391|2.989045|2.558562|2.222033|2.186361|2.435828|2.662253|1.948425|1.740184|0.041035|0.037112|0.038774|0.040523|0.043120|0.056236|0.067317|0.050910|0.045678|0.061621|0.067679|0.060148|0.061295|0.086174|0.082729|0.107664|0.124137|0.214499|0.500000| |1.497342|1.623274|3.223156|2.006307|2.282872|2.607554|2.515903|2.162885|1.964600|3.795398|3.006188|5.280960|4.209391|3.215945|4.219533|26.725882|4.959044|5.755062|0.097255|4.845808|7.146052|9.804905|8.932064|5.659114|4.962490|5.643438|8.918614|17.741569|3.801043|3.706116|2.955229|2.546387|2.581741|3.035607|2.944177|2.082270|1.940820|0.042495|0.038674|0.040993|0.043496|0.045297|0.062848|0.081784|0.057366|0.049633|0.073571|0.086924|0.080886|0.081444|0.131989|0.128895|0.124295|0.107677|0.124063|0.215445|0.500000| |1.181453|1.247316|2.430971|1.464852|1.629250|1.778297|1.705489|1.521582|1.423646|2.486916|1.997803|3.674494|2.794928|2.256457|2.741295|21.710144|4.142640|6.727071|0.123762|7.039661|6.138764|6.032520|6.014944|5.833631|4.611147|3.974685|4.025193|4.764486|8.935844|17.730966|8.951899|5.632740|4.974658|5.670306|5.649463|3.923803|3.416639|0.033341|0.030837|0.032888|0.033817|0.034308|0.045824|0.054548|0.040697|0.036705|0.048430|0.055763|0.060820|0.059559|0.077030|0.079761|0.164226|0.113748|0.093386|0.094895|0.119137|0.500000| 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