Version2.0 2020-01-23T06:32:54Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 27-Sep-2019 # opt=(rfo,maxstep=1) freq hf/6-31g(d) iop(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)[C@H]2Nc3ccccc3-c4n2c(nn4)SCC(=O)NCCC5[NH+]=c6ccccc6=[NH+]5 C64568232 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)[C@H]2Nc3ccccc3-c4n2c(nn4)SCC(=O)NCCC5[NH+]=c6ccccc6=[NH+]5 C01[X(C27H27N7O1S1)] 183 C1 598 O=C(CSc1nnc2n1[C@H](Nc1c2cccc1)c1ccc(cc1)C)NCCC1[NH+]=c2c(=[NH+]1)cccc2 O=C(CSc1nnc2n1[C@H](Nc1c2cccc1)c1ccc(cc1)C)NCCC1[NH+]=c2c(=[NH+]1)cccc2 Cc1ccc(cc1)[C@H]2Nc3ccccc3c4nnc(SCC(=O)NCCC5[NH+]=C6C=CC=CC6=[NH+]5)n24 InChIKey=FJOHFMRNDKQZTI-VWLOTQADSA-P InChI=1S/C27H25N7OS/c1-17-10-12-18(13-11-17)25-31-20-7-3-2-6-19(20)26-32-33-27(34(25)26)36-16-24(35)28-15-14-23-29-21-8-4-5-9-22(21)30-23/h2-13,23,25,31H,14-16H2,1H3,(H,28,35)/p+2/t25-/m0/s1 InChI=1/C27H25N7OS/c1-17-10-12-18(13-11-17)25-31-20-7-3-2-6-19(20)26-32-33-27(34(25)26)36-16-24(35)28-15-14-23-29-21-8-4-5-9-22(21)30-23/h2-13,23,25,31H,14-16H2,1H3,(H,28,35)/p+2/t25-/m0/s1/fC27H27N7OS/h28-30H/q+2 Cc1ccc(cc1)[C@H]2Nc3ccccc3-c4n2c(nn4)SCC(=O)NCCC5[NH+]=c6ccccc6=[NH+]5 C01[X(C27H27N7O1S1)] 183 C01 598 O=C(CSc1nnc2n1[C@H](Nc1c2cccc1)c1ccc(cc1)C)NCCC1[NH+]=c2c(=[NH+]1)cccc2 O=C(CS[C@H]1NN[C@H]2N1[C@H](Nc1c2cccc1)c1ccc(cc1)C)NCC[C@@H]1N[C@@H]2[C@H](N1)C=CC=C2 Cc1ccc(cc1)[C@H]2Nc3ccccc3[C@H]4NN[C@H](SCC(=O)NCC[C@@H]5N[C@H]6C=CC=C[C@H]6N5)N24 InChIKey=AZSBAEXOHNHRLB-MQCODARXSA-N InChI=1S/C27H33N7OS/c1-17-10-12-18(13-11-17)25-31-20-7-3-2-6-19(20)26-32-33-27(34(25)26)36-16-24(35)28-15-14-23-29-21-8-4-5-9-22(21)30-23/h2-13,21-23,25-27,29-33H,14-16H2,1H3,(H,28,35)/t21-,22+,23+,25-,26-,27-/m0/s1 InChI=1/C27H33N7OS/c1-17-10-12-18(13-11-17)25-31-20-7-3-2-6-19(20)26-32-33-27(34(25)26)36-16-24(35)28-15-14-23-29-21-8-4-5-9-22(21)30-23/h2-13,21-23,25-27,29-33H,14-16H2,1H3,(H,28,35)/t21-,22+,23+,25-,26-,27-/m0/s1/f/h28H 4118.2839843273 -1891.1613952 1-A 17678.1226 130 468 598 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.15100 -20.73228 -15.95893 -15.94915 -15.83059 -15.79747 -15.79039 -15.78679 -15.75488 -11.65243 -11.64367 -11.59862 -11.56042 -11.55938 -11.55096 -11.53491 -11.53459 -11.52366 -11.51565 -11.51033 -11.49203 -11.48942 -11.46335 -11.46027 -11.41553 -11.41437 -11.40839 -11.40563 -11.40405 -11.40369 -11.40163 -11.39499 -11.39081 -11.38896 -11.38608 -11.36313 -9.16002 -6.84280 -6.84131 -6.83900 -1.69640 -1.62356 -1.60251 -1.56316 -1.47741 -1.45345 -1.44722 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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| 18.6431 21.7491 33.5710 36.7608 41.5259 48.6567 53.5447 63.2458 71.8132 89.5137 97.6363 116.3435 130.9571 142.9252 152.0479 165.1532 168.2278 186.3097 210.7414 225.2925 240.8604 250.7164 272.1064 277.9339 300.3524 319.2688 351.6160 358.6555 384.6139 400.4045 405.9303 420.8745 457.5339 462.1700 464.2784 481.7956 493.5092 503.7742 520.8680 528.9802 531.3326 539.4202 556.6593 561.6607 584.2516 588.1298 601.2362 612.6047 616.0105 638.9163 658.2925 692.0075 702.8144 750.3417 756.3841 785.2554 789.6298 796.6411 807.1185 814.3684 826.9535 839.5538 848.4770 854.4598 868.6470 873.4612 879.6598 890.2129 910.4171 918.1228 935.4821 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0.00745 0.00373 0.00293 0.15524 0.07781 0.06096 26.82 31.29 48.30 52.89 59.75 70.01 77.04 91.00 103.32 128.79 140.48 167.39 188.42 205.64 218.76 237.62 242.04 268.06 303.21 324.15 346.54 360.72 391.50 399.88 432.14 459.36 505.90 516.03 553.37 576.09 584.04 605.54 658.29 664.96 667.99 693.20 710.05 724.82 749.41 761.08 764.47 776.11 800.91 808.10 840.61 846.19 865.04 881.40 886.30 919.26 947.14 995.64 1011.19 1079.57 1088.27 1129.81 1136.10 1146.19 1161.26 1171.69 1189.80 1207.93 1220.77 1229.38 1249.79 1256.72 1265.63 1280.82 1309.89 1320.97 1345.95 1353.72 1364.88 1384.77 1390.03 1397.79 1425.01 1441.68 1449.32 1459.79 1546.66 1558.78 1567.71 1568.82 1581.56 1594.86 1607.08 1610.19 1626.24 1627.11 1631.51 1669.12 1670.37 1688.82 1699.78 1707.96 1710.07 1722.32 1736.64 1751.26 1763.41 1791.65 1808.90 1822.49 1844.24 1871.26 1880.46 1880.70 1886.36 1894.06 1916.07 1926.96 1949.11 1951.83 1994.51 2012.77 2021.89 2039.18 2043.50 2064.79 2086.74 2096.01 2113.83 2149.40 2153.48 2168.67 2186.13 2204.22 2209.17 2230.53 2257.74 2258.35 2262.65 2281.55 2318.68 2328.40 2330.81 2333.72 2347.16 2348.13 2352.25 2371.16 2422.11 2433.06 2455.73 2469.57 2488.96 2519.30 2546.12 2567.40 2597.86 2612.90 2615.28 2617.50 2717.42 2762.94 4503.96 4625.68 4660.49 4703.81 4711.44 4713.07 4744.87 4748.51 4753.04 4772.05 4777.54 4806.30 4828.23 4835.50 4855.91 4856.55 4861.91 4867.65 4882.53 4899.25 4903.46 4909.52 4924.37 4930.60 5422.67 5530.14 5556.71 0.551322 0.579753 0.580698 0.489516 -1890.610073 -1890.581642 -1890.580698 -1890.671879 3.058226D-04 MUNgauss RevisionA2.0 retrievium 23-Jan-2020 DUDE Cc1ccc(cc1)[C@H]2Nc3ccccc3-c4n2c(nn4)SCC(=O)NCCC5[NH+]=c6ccccc6=[NH+]5 C64568232 RHF 6-31G(d) (6D,10F) C1 497.199780 |X|Y|Z| 105.258980 70.780864 39.855456 66.714607 34 6 7 16 26 7 1 |36.858105| |12.615554|36.858105| |7.535905|13.635167|36.858105| |5.007336|7.866216|13.788422|36.858105| |4.405187|6.767788|7.902316|13.654069|36.858105| |5.004376|7.883906|6.911561|7.974788|13.754297|36.858105| |7.541966|13.739520|7.988813|6.894301|7.893461|13.709977|36.858105| |3.259184|4.393792|4.985176|7.451174|12.520525|7.598865|5.017226|36.858105| |3.046913|3.993675|4.201541|5.583831|8.965156|7.475431|4.839922|17.651590|0.500000| |2.890261|3.714009|4.252643|5.944869|7.575171|5.427136|4.044458|13.171433|0.258620|53.358707| |2.670099|3.321327|3.969910|5.413832|5.689035|4.175818|3.393379|7.666688|0.160491|18.731941|36.858105| |2.462620|2.952985|3.459118|4.329361|4.335922|3.460279|2.963309|5.109803|0.118457|10.701956|13.653136|36.858105| |2.217740|2.580943|3.030615|3.632169|3.473519|2.848181|2.528009|3.916531|0.093219|7.061664|7.941877|13.836475|36.858105| |2.138839|2.477118|2.946541|3.533836|3.304179|2.687253|2.399313|3.725230|0.088251|6.200113|6.805630|7.875235|13.639435|36.858105| |2.267761|2.678560|3.237906|4.044889|3.789450|2.978077|2.606724|4.425598|0.101838|7.038282|7.856433|6.853773|7.985079|13.880178|36.858105| |2.537669|3.112752|3.794002|5.124427|5.047481|3.722028|3.104721|6.525508|0.139226|10.783669|13.644954|7.925510|6.915812|7.931067|13.644463|36.858105| |2.617521|3.254652|3.917650|5.376551|5.585702|4.064674|3.309851|7.624675|0.162503|9.530734|7.889725|5.146574|4.531913|5.076139|7.597041|13.129435|36.858105| |2.899915|3.741044|4.367841|6.236689|7.694168|5.327270|4.011426|12.962967|0.256727|11.118750|6.934186|4.599540|3.824294|3.946339|5.125570|7.848909|14.120229|53.358707| |2.747093|3.442254|3.862023|4.995755|5.850770|4.668735|3.699137|7.437470|0.190900|7.110574|4.663226|3.477115|3.056432|3.225839|4.087411|5.374577|8.821107|19.016394|36.858105| |2.454906|2.968067|3.379254|4.198257|4.450218|3.635024|3.060725|5.308905|0.134159|5.865438|4.236069|3.267031|3.010225|3.327174|4.350629|5.323145|8.870699|12.022869|14.858759|53.358707| |2.395040|2.888706|3.403600|4.330975|4.365742|3.426575|2.906332|5.329209|0.126355|6.489739|5.187884|3.901176|3.680051|4.290115|6.193522|7.612053|14.616948|11.984170|8.874954|19.052720|53.358707| |2.777528|3.418645|3.533533|4.184483|5.101371|4.805270|3.876856|5.645044|0.171070|5.512745|3.470431|2.773520|2.447509|2.509260|2.980900|3.664547|4.901653|9.239698|10.799731|9.621201|6.725879|388.023441| |3.288926|4.013360|4.079494|4.483148|4.956333|4.868472|4.356351|4.574005|0.126980|4.644708|3.044063|2.509078|2.256919|2.326060|2.724959|3.227186|4.100736|7.000888|6.850339|7.530319|5.719465|73.995843|36.858105| |2.983112|3.497243|3.745865|4.055135|4.077165|3.777494|3.520478|3.846663|0.101962|4.148005|2.872218|2.395819|2.218522|2.351187|2.787844|3.185347|4.065565|6.270796|6.130606|8.123338|6.138871|48.475936|12.554903|36.858105| |2.522879|2.865444|3.034301|3.260032|3.299351|3.094416|2.897173|3.244652|0.087685|3.634785|2.552328|2.163802|2.033316|2.172101|2.558747|2.849170|3.581682|5.302301|5.165276|7.460534|5.629997|41.117527|7.949596|15.791286|73.516695| |3.282866|3.856607|4.384249|4.662973|4.275195|3.797511|3.640114|3.856823|0.097397|4.248891|3.034336|2.541890|2.379423|2.550041|3.038972|3.421320|4.269503|6.239898|5.495613|7.570958|6.369624|36.651303|7.844271|14.118956|15.186042|53.358707| |2.830996|3.167868|3.622004|3.762108|3.369164|3.003031|2.929458|3.137752|0.079355|3.661020|2.715180|2.338615|2.257787|2.472757|2.923725|3.120287|3.734901|5.051491|4.254531|6.396614|5.798945|27.425424|5.019653|7.803287|12.337584|17.927205|36.858105| |2.462584|2.779829|3.238330|3.531378|3.188679|2.755953|2.608816|3.139308|0.078485|3.775403|2.901864|2.491933|2.458969|2.790585|3.397355|3.503602|4.234551|5.290720|4.402185|7.355124|7.140309|25.929640|4.161902|5.831773|10.091680|10.432163|12.386597|36.858105| |2.185538|2.476745|2.798468|3.119237|2.987282|2.611818|2.413444|3.095245|0.079457|3.714995|2.818581|2.400646|2.356684|2.671882|3.279016|3.419266|4.301386|5.396910|4.810423|8.914596|7.899897|28.335540|4.201246|5.823199|11.510271|8.333278|7.368911|12.350177|36.858105| |2.007370|2.282674|2.595521|2.958197|2.861215|2.463759|2.241008|3.095789|0.079069|3.857209|3.019121|2.575958|2.577667|3.012477|3.789753|3.806423|4.742728|5.499359|4.663577|9.160171|9.450556|25.781177|3.500210|4.318911|8.124975|6.102876|4.961761|7.631193|13.096431|53.358707| |2.094037|2.420552|2.794615|3.285691|3.187855|2.671187|2.385179|3.557435|0.089049|4.474607|3.581741|2.983044|2.981186|3.557245|4.717607|4.763106|6.193137|6.606365|5.410704|11.302026|14.231616|27.422193|3.575651|4.215090|7.503889|6.023287|4.599784|6.673607|8.864172|24.917554|0.500000| |1.775268|1.983336|2.214230|2.471583|2.411078|2.125663|1.954325|2.601452|0.067788|3.308493|2.581587|2.265693|2.295294|2.664107|3.217651|3.150664|3.712198|4.421366|3.673139|6.628909|6.744110|21.699653|2.934850|3.524666|6.854740|4.854115|3.986497|5.553084|8.359016|20.414239|0.254310|36.858105| |1.598339|1.774662|1.967724|2.192592|2.156709|1.913272|1.757575|2.357853|0.061938|3.088166|2.436341|2.184207|2.249448|2.624950|3.095849|2.941625|3.310150|3.910551|3.126777|5.377038|5.715121|18.692994|2.465868|2.823561|5.384130|3.866931|3.083410|3.993794|5.149594|10.459827|0.182898|13.231296|36.858105| |1.457023|1.597019|1.747425|1.914440|1.887853|1.704839|1.583079|2.037345|0.054171|2.671651|2.082007|1.896445|1.951382|2.233478|2.552204|2.438841|2.694868|3.285797|2.624936|4.327199|4.445638|16.394388|2.191345|2.492857|4.821051|3.380814|2.709299|3.351678|4.168279|7.226710|0.127028|8.091180|14.250982|36.858105| |1.435066|1.558616|1.690248|1.824830|1.795722|1.642534|1.541782|1.903359|0.050903|2.460739|1.889268|1.721184|1.753655|1.975448|2.239208|2.177882|2.423857|3.035978|2.463457|3.994001|3.947378|15.915931|2.184505|2.525890|5.011999|3.397954|2.774031|3.347952|4.171309|6.455483|0.109238|6.859366|7.684146|12.864029|36.858105| |1.541521|1.673816|1.814857|1.949360|1.909488|1.749810|1.649986|1.998928|0.053361|2.539765|1.933267|1.744041|1.759870|1.973187|2.256975|2.229846|2.528275|3.207189|2.656095|4.334129|4.157495|17.356884|2.444861|2.919766|5.961845|3.914783|3.281349|3.974071|5.147987|7.269894|0.116452|7.493748|6.438088|7.646981|14.193115|36.858105| |1.734154|1.908820|2.098081|2.283280|2.223923|2.005814|1.875996|2.334430|0.061597|2.926113|2.234579|1.979617|1.987112|2.250308|2.642705|2.634305|3.076959|3.854413|3.258523|5.569910|5.284887|20.595802|2.914627|3.614023|7.430003|4.895246|4.191877|5.512567|8.323595|11.638949|0.162825|12.750872|7.474756|6.837081|8.116881|13.326789|36.858105| |1.923899|2.124829|2.340543|2.533614|2.449093|2.209502|2.077061|2.521311|0.066225|3.086094|2.328714|2.038869|2.020224|2.267242|2.681598|2.736420|3.268801|4.187695|3.635916|6.207013|5.613086|23.273391|3.458496|4.594128|9.843205|6.250636|5.648406|7.517140|13.036520|11.614522|0.164377|8.554166|5.325279|4.723662|5.301514|7.674644|14.881694|53.358707| |1.917762|2.092935|2.273121|2.414008|2.335581|2.145225|2.043757|2.361937|0.062589|2.874204|2.142181|1.888301|1.860952|2.058819|2.396063|2.464005|2.908840|3.830778|3.323198|5.397178|4.801928|22.359716|3.454514|4.657920|10.454105|6.215798|5.703017|6.504798|8.803163|8.100441|0.127591|5.937367|4.226118|3.963398|4.629516|6.711895|9.368125|25.777198|0.500000| |17.548729|8.880293|6.389898|4.499111|3.973042|4.415905|6.170384|3.032215|0.078730|3.799246|2.605545|2.465431|2.226713|2.117801|2.202615|2.437278|2.449798|3.634533|2.487435|3.052966|3.029194|17.596960|2.817434|2.585992|3.962457|3.853445|2.504828|2.236281|1.996556|2.535772|0.054180|1.659786|1.510467|1.380219|1.353642|1.442955|1.612489|2.407581|0.048765|0.500000| |17.593666|8.838386|5.598197|4.176153|3.939874|4.708690|7.142035|3.011087|0.080512|3.609619|2.420320|2.231124|2.011056|1.941778|2.060048|2.303907|2.404147|3.661572|2.601664|3.154506|3.027952|19.394956|3.249420|2.891565|4.392470|4.193458|2.649524|2.292436|2.069934|2.577762|0.054485|1.688153|1.522733|1.397109|1.383595|1.487850|1.662938|2.510149|0.051447|0.302217|0.500000| |17.572512|8.833041|6.994442|4.671862|3.940722|4.207619|5.679305|3.005200|0.077307|3.643596|2.535660|2.342011|2.150181|2.108724|2.243909|2.470172|2.558453|3.778755|2.669832|3.317353|3.244553|18.987714|3.240375|3.059680|4.607926|4.722618|3.056910|2.608716|2.265743|2.800929|0.059129|1.819811|1.628609|1.487050|1.472509|1.590456|1.791456|2.723169|0.055686|0.302381|0.301447|0.500000| |7.001239|8.896961|17.699715|8.955449|5.634783|4.970868|5.666548|4.068921|0.096405|4.981940|3.609148|3.255606|2.962622|2.925310|3.169326|3.547799|3.576327|5.129021|3.394541|4.226510|4.345364|21.831953|3.560894|3.458855|5.085496|5.698888|3.663137|3.280944|2.751849|3.472222|0.075664|2.188305|1.946322|1.733813|1.681201|1.806077|2.082139|3.158272|0.062699|0.174210|0.141831|0.207344|0.500000| |4.096860|5.625904|8.973067|17.708207|8.855992|5.651085|4.962904|6.853755|0.139244|8.266903|6.311114|4.933032|4.239819|4.264126|5.050708|6.432289|6.402585|8.891198|5.041497|6.118897|6.803094|27.738456|4.057358|3.914957|5.716096|6.314859|3.930133|3.886232|3.366253|4.449898|0.103189|2.691925|2.386659|2.056198|1.937639|2.060896|2.436193|3.654860|0.069938|0.105577|0.096355|0.111039|0.217701|0.500000| |4.091474|5.634149|4.970786|5.652010|8.911044|17.700041|8.938978|7.070142|0.231691|7.043794|3.869491|3.238328|2.664435|2.503033|2.757295|3.427273|3.764458|6.783522|4.502334|4.728546|4.378910|35.320186|4.629399|3.510543|5.256496|4.597838|2.711498|2.519026|2.455741|3.180951|0.070134|2.040476|1.852982|1.660110|1.599298|1.695908|1.928340|2.866727|0.056892|0.102945|0.112234|0.097210|0.107807|0.123874|0.500000| |6.980023|8.921932|5.660673|4.963302|5.638388|8.936211|17.718527|4.106968|0.115480|4.670065|2.905886|2.595309|2.242106|2.125913|2.283369|2.668642|2.834171|4.602373|3.209143|3.671850|3.458295|24.927913|3.916149|3.164166|4.745477|4.337236|2.616994|2.328337|2.182497|2.758463|0.059303|1.792207|1.622248|1.475432|1.445060|1.544339|1.736828|2.605660|0.052744|0.163448|0.215934|0.144486|0.124238|0.107696|0.217157|0.500000| |2.928693|3.729845|4.111911|5.400736|6.870831|5.481375|4.141010|9.276399|0.222184|26.006686|9.414715|7.440860|4.850302|4.043643|4.285909|5.817930|5.132150|8.014657|4.235699|4.832984|5.197042|25.359630|3.085982|2.731338|4.280662|3.797281|2.421500|2.457535|2.404081|3.363063|0.077962|2.156826|2.029060|1.780764|1.651760|1.701513|1.935495|2.772634|0.053227|0.080015|0.074922|0.074049|0.098097|0.145581|0.148788|0.099036|0.500000| |2.459103|2.923992|3.319193|4.014481|4.132837|3.450252|2.976679|4.713145|0.114200|9.739903|8.886482|17.723780|8.936404|5.617061|4.942575|5.635512|4.180526|5.445918|3.112157|3.910458|4.472557|18.449841|2.356533|2.215677|3.562751|3.168148|2.131418|2.227617|2.149891|3.092924|0.071714|2.022911|1.954334|1.720809|1.576129|1.597909|1.795628|2.520844|0.048112|0.069379|0.062204|0.064077|0.086101|0.120130|0.091002|0.073299|0.222724|0.500000| |2.070247|2.359044|2.716166|3.133979|2.999076|2.544508|2.304545|3.283670|0.080468|5.715564|5.656531|8.994483|17.729362|8.896248|5.673198|4.975137|3.609512|4.303715|2.611650|3.502939|4.155864|15.361423|2.013144|1.979062|3.248382|2.878776|2.024408|2.184684|2.092812|3.092683|0.071577|2.058542|2.036669|1.793363|1.619570|1.618321|1.804028|2.485370|0.047050|0.058438|0.052358|0.055776|0.074587|0.098689|0.066624|0.057550|0.114526|0.216820|0.500000| |1.960666|2.223810|2.612272|3.025635|2.812722|2.349840|2.139194|3.090409|0.075016|4.933998|4.919465|5.624856|8.868067|17.749200|8.939130|5.636165|4.110991|4.475483|2.805528|4.006734|5.049538|15.914363|2.102896|2.153287|3.581814|3.182113|2.317674|2.634900|2.519818|3.891849|0.091933|2.587202|2.597691|2.230615|1.963848|1.942792|2.189928|2.966601|0.055013|0.054125|0.049653|0.054162|0.073262|0.099457|0.061096|0.053243|0.091748|0.123886|0.214427|0.500000| |2.146718|2.499690|2.999521|3.643804|3.388444|2.720964|2.417869|3.861016|0.091131|5.711363|5.617209|4.942879|5.657254|8.950176|17.726968|8.909977|6.964864|6.374486|4.015699|6.208228|9.197861|20.822500|2.709868|2.863512|4.750292|4.276057|3.121993|3.806255|3.702583|6.123080|0.160307|3.786668|3.656145|2.929533|2.522892|2.530839|3.002325|4.088293|0.073186|0.057498|0.054466|0.059761|0.082692|0.124560|0.070226|0.059289|0.098393|0.107362|0.124344|0.214710|0.500000| |4.029777|5.183896|5.149731|5.532818|6.124997|6.239376|5.692793|5.033503|0.136207|4.992826|3.223195|2.657041|2.360652|2.399254|2.783802|3.330561|4.107110|7.121086|6.164609|6.624500|5.425700|55.887398|17.645050|8.768818|10.365867|10.206957|4.784403|3.913514|3.723131|4.330051|0.091816|2.672964|2.279271|2.026765|2.006692|2.222099|2.623884|4.176406|0.084762|0.093051|0.109678|0.108687|0.119403|0.130513|0.154345|0.136270|0.093212|0.069794|0.058487|0.059883|0.075583|0.500000| |3.079336|3.597992|3.497876|3.686733|4.074516|4.252991|3.964382|3.791074|0.108927|4.010896|2.631485|2.222137|2.011743|2.059342|2.366207|2.745139|3.361654|5.556055|5.163106|5.975911|4.698356|57.867431|17.607521|8.984955|12.836309|8.095284|4.265432|3.543600|3.635219|4.160213|0.085119|2.651531|2.260000|2.047584|2.068446|2.315921|2.694846|4.308566|0.090030|0.073522|0.087155|0.084105|0.086149|0.092750|0.117021|0.104148|0.075739|0.058729|0.050464|0.052243|0.065452|0.300918|0.500000| |3.911889|4.778467|5.670717|5.920490|5.105350|4.449165|4.337535|4.281813|0.105355|4.643995|3.289553|2.742904|2.534901|2.680168|3.173490|3.635075|4.435604|6.629327|5.416509|6.966350|6.185707|35.429472|7.469438|9.360226|10.875632|26.024216|9.015827|6.192043|4.898004|5.336199|0.111736|3.158184|2.596076|2.272228|2.253867|2.540207|3.103499|5.145390|0.103265|0.091787|0.099391|0.115385|0.148032|0.158512|0.105304|0.101923|0.084986|0.069941|0.062403|0.067582|0.089027|0.237016|0.155435|0.500000| |3.017671|3.300138|3.830822|3.807785|3.273036|2.930781|2.941069|2.962244|0.074302|3.521505|2.637702|2.312239|2.248809|2.452690|2.845424|2.988751|3.426285|4.593713|3.666326|5.333333|5.096933|23.677505|4.270267|5.815577|9.058957|12.587302|17.618660|8.948404|5.465179|5.631342|0.109548|3.437899|2.764299|2.456936|2.503903|2.900809|3.563032|6.125432|0.126478|0.074199|0.077280|0.093096|0.112377|0.111057|0.072495|0.072828|0.065445|0.058768|0.056398|0.064279|0.083718|0.119912|0.103022|0.230720|0.500000| |2.589652|2.825021|3.106049|3.169573|2.927664|2.694808|2.654735|2.753988|0.071376|3.238829|2.378922|2.076388|2.008888|2.183058|2.537096|2.687799|3.175532|4.352754|3.714317|5.544339|4.922682|25.452124|4.678987|7.294387|13.435309|12.526767|17.618159|8.722492|6.708553|6.102599|0.111390|3.818538|2.966545|2.680131|2.834386|3.441747|4.302507|8.176266|0.187518|0.063829|0.068710|0.077594|0.086833|0.090057|0.068895|0.067359|0.060201|0.053123|0.050560|0.057358|0.075116|0.119796|0.117216|0.183631|0.304010|0.500000| |2.602094|3.001933|3.631278|4.106975|3.600347|2.994432|2.793234|3.566568|0.086456|4.320935|3.408700|2.880650|2.850652|3.297470|4.155405|4.277175|5.202557|6.151216|4.864289|8.167486|8.789172|26.594799|4.114625|5.336686|8.621713|9.729031|8.897897|17.602624|8.979199|10.146780|0.211220|5.190389|3.923355|3.208844|3.074427|3.480704|4.654070|7.692626|0.135071|0.066012|0.066227|0.076056|0.102480|0.131916|0.074983|0.068079|0.076894|0.070244|0.069200|0.085290|0.131060|0.111143|0.095081|0.179496|0.213544|0.173348|0.500000| |2.265270|2.495275|2.880934|3.064988|2.753573|2.416595|2.322785|2.705789|0.068162|3.347230|2.605023|2.297914|2.312165|2.639920|3.131847|3.108304|3.567823|4.409941|3.544091|5.758861|5.829008|21.488319|3.394285|4.484813|8.016514|7.603413|8.768229|17.554630|8.822122|8.993162|0.156310|5.410842|3.995664|3.437119|3.492064|4.167139|5.610170|9.822988|0.177278|0.057806|0.058640|0.067196|0.082851|0.093794|0.061676|0.058215|0.061326|0.057315|0.057787|0.070793|0.098606|0.090038|0.083115|0.133858|0.219485|0.205663|0.302502|0.500000| |2.279393|2.618699|2.917681|3.290926|3.255343|2.863366|2.605494|3.407429|0.088792|3.955702|2.912996|2.438050|2.341090|2.602253|3.195565|3.477974|4.569625|6.076672|5.926189|11.271588|8.365449|35.684527|5.222478|7.599045|15.980195|9.438365|7.010676|8.682221|17.657225|12.612115|0.213662|6.531404|4.473547|3.707446|3.706935|4.463484|6.500803|12.528584|0.209215|0.057353|0.060452|0.064945|0.077800|0.096246|0.075458|0.065458|0.070784|0.061030|0.057577|0.067161|0.097163|0.121459|0.122905|0.148437|0.141197|0.181019|0.200861|0.173303|0.500000| |1.596481|1.782296|1.986247|2.237922|2.208131|1.941344|1.769334|2.454763|0.064175|3.280165|2.633025|2.369384|2.469277|2.930177|3.475009|3.222554|3.549863|4.077662|3.168304|5.411851|6.076308|18.491144|2.390359|2.672281|4.969360|3.681465|2.869813|3.668688|4.494129|9.134072|0.184669|8.701520|17.757447|8.958041|5.485853|4.725043|5.405347|5.871835|0.098166|0.042133|0.042099|0.044944|0.054453|0.068270|0.052285|0.045229|0.059587|0.058376|0.061827|0.080946|0.116159|0.062046|0.060513|0.069954|0.072443|0.075324|0.104675|0.100529|0.111884|0.500000| |1.360516|1.485494|1.618405|1.768666|1.750152|1.587787|1.475835|1.894202|0.050584|2.516635|1.965905|1.813984|1.878964|2.142122|2.403444|2.276284|2.462180|3.009101|2.363986|3.807856|3.954676|14.874753|1.974018|2.201485|4.206990|2.984924|2.360386|2.847144|3.399354|5.724478|0.106292|5.688383|9.108600|17.738016|8.709581|5.579134|4.939924|5.077479|0.090163|0.035998|0.036284|0.038454|0.044621|0.052658|0.043125|0.038353|0.046896|0.045920|0.048361|0.059992|0.075961|0.051120|0.051534|0.056463|0.060324|0.064735|0.077014|0.081052|0.086073|0.214584|0.500000| |1.331136|1.435015|1.544627|1.654840|1.632092|1.506254|1.421257|1.722894|0.046340|2.239577|1.713324|1.576382|1.607911|1.795306|2.003538|1.947354|2.137835|2.704315|2.174292|3.443039|3.401402|14.289955|1.965444|2.238991|4.419442|3.004127|2.431657|2.843147|3.401542|5.093176|0.089564|4.950124|5.595928|8.712097|17.730594|9.110385|5.706501|5.721390|0.107471|0.034998|0.035777|0.037915|0.042731|0.048526|0.040888|0.037221|0.042087|0.040378|0.041580|0.049820|0.061974|0.050426|0.052242|0.055855|0.061824|0.069494|0.073081|0.082603|0.086042|0.122851|0.215948|0.500000| 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