Version2.1 2020-12-01T04:48:40Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 09-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](Cc1ccccc1F)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4csc(c4OC)Cl C39687099 RHF 6-31G(d) (6D,7F) C[C@H](Cc1ccccc1F)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4csc(c4OC)Cl C01[X(C24H30Cl1F1N3O3S1)] 183 C1 563 COc1c(Cl)scc1C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@@H](Cc1ccccc1F)C COc1c(Cl)scc1C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@@H](Cc1ccccc1F)C COc1c(Cl)scc1C(=O)N2C[C@@H](C(=O)N[C@H](C)Cc3ccccc3F)C4(CC[NH2+]CC4)C2 InChIKey=SULHSCACNGCLRT-QAPCUYQASA-O InChI=1S/C24H29ClFN3O3S/c1-15(11-16-5-3-4-6-19(16)26)28-22(30)18-12-29(14-24(18)7-9-27-10-8-24)23(31)17-13-33-21(25)20(17)32-2/h3-6,13,15,18,27H,7-12,14H2,1-2H3,(H,28,30)/p+1/t15-,18+/m1/s1 InChI=1/C24H29ClFN3O3S/c1-15(11-16-5-3-4-6-19(16)26)28-22(30)18-12-29(14-24(18)7-9-27-10-8-24)23(31)17-13-33-21(25)20(17)32-2/h3-6,13,15,18,27H,7-12,14H2,1-2H3,(H,28,30)/p+1/t15-,18+/m1/s1/fC24H30ClFN3O3S/h27-28H/q+1 C[C@H](Cc1ccccc1F)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4csc(c4OC)Cl C01[X(C24H30Cl1F1N3O3S1)] 183 C01 563 COc1c(Cl)scc1C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@@H](Cc1ccccc1F)C CO[C]1=C(Cl)S[CH]=[C]1C(=O)N1C[C@H](C2(C1)CC[NH2]CC2)C(=O)N[C@@H](C[C]1[CH][CH][CH][CH][C]1F)C COc1c(Cl)scc1C(=O)N2C[C@@H](C(=O)N[C@H](C)C[C]3[CH][CH][CH][CH][C]3F)C4(CC[NH2]CC4)C2 InChIKey=AKQIOZMQARUCOF-QAPCUYQASA-N InChI=1S/C24H30ClFN3O3S/c1-15(11-16-5-3-4-6-19(16)26)28-22(30)18-12-29(14-24(18)7-9-27-10-8-24)23(31)17-13-33-21(25)20(17)32-2/h3-6,13,15,18H,7-12,14,27H2,1-2H3,(H,28,30)/t15-,18+/m1/s1 InChI=1/C24H30ClFN3O3S/c1-15(11-16-5-3-4-6-19(16)26)28-22(30)18-12-29(14-24(18)7-9-27-10-8-24)23(31)17-13-33-21(25)20(17)32-2/h3-6,13,15,18H,7-12,14,27H2,1-2H3,(H,28,30)/t15-,18+/m1/s1/f/h28H 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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| 14.5087 18.8036 23.3016 35.8912 40.1599 46.2959 53.6143 59.5360 77.5695 84.3952 99.4451 104.3585 115.4351 132.1851 138.4998 147.2918 156.4270 179.4141 196.0477 207.2708 214.2234 217.9938 230.4473 246.7394 259.5104 263.6783 271.7191 280.9218 301.7874 310.1602 334.1849 370.2101 374.9210 389.5788 398.0007 419.7575 426.2280 441.2538 456.2916 474.0923 494.8858 501.7285 502.4037 527.5660 538.2286 543.5557 554.0069 578.5060 591.0002 592.8670 615.9130 669.8066 680.3284 715.3318 755.5611 779.1516 788.7648 806.2981 836.6346 838.3219 857.3272 862.1180 865.6620 873.6119 878.9974 892.0442 922.5280 925.4045 941.7044 953.9462 957.2952 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27.05 33.53 51.64 57.78 66.61 77.14 85.66 111.61 121.43 143.08 150.15 166.09 190.18 199.27 211.92 225.06 258.14 282.07 298.22 308.22 313.64 331.56 355.00 373.38 379.37 390.94 404.18 434.20 446.25 480.82 532.65 539.43 560.52 572.63 603.94 613.25 634.87 656.50 682.11 712.03 721.88 722.85 759.05 774.39 782.06 797.09 832.34 850.32 853.00 886.16 963.70 978.84 1029.20 1087.08 1121.03 1134.86 1160.08 1203.73 1206.16 1233.50 1240.40 1245.49 1256.93 1264.68 1283.45 1327.31 1331.45 1354.90 1372.52 1377.33 1379.57 1405.22 1420.88 1433.41 1463.99 1479.52 1524.07 1545.24 1546.57 1560.42 1573.96 1587.98 1599.79 1603.75 1624.22 1634.90 1642.02 1670.12 1701.50 1706.60 1722.62 1747.47 1751.48 1784.99 1790.10 1827.12 1839.11 1849.93 1858.76 1874.89 1887.64 1897.92 1902.62 1910.42 1920.57 1941.55 1966.32 1977.42 1980.08 2010.58 2013.89 2054.03 2085.60 2090.81 2093.03 2101.97 2122.14 2126.12 2158.92 2175.27 2189.79 2213.53 2224.34 2228.68 2239.72 2252.92 2255.49 2260.53 2268.35 2290.60 2325.55 2330.50 2334.60 2342.61 2357.98 2358.61 2360.77 2366.01 2369.69 2371.98 2388.83 2398.59 2404.41 2414.73 2426.84 2460.32 2557.94 2571.70 2602.02 2644.16 2781.83 2807.47 4590.47 4607.07 4618.31 4620.13 4628.76 4658.79 4686.96 4705.65 4705.75 4706.49 4707.00 4710.22 4714.54 4725.29 4731.84 4742.98 4774.52 4782.74 4794.34 4803.94 4817.34 4820.53 4821.07 4844.57 4858.56 4898.55 4951.59 5182.69 5347.12 5560.47 0.562649 0.592667 0.593611 0.498181 -2269.898663 -2269.868645 -2269.867701 -2269.963131 3.200738D-04 MUNgauss RevisionA2.0 retrievium 01-Dec-2020 DUDE C[C@H](Cc1ccccc1F)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4csc(c4OC)Cl C39687099 RHF 6-31G(d) (6D,10F) C1 494.168045 |X|Y|Z| 52.460464 39.930566 128.468861 64.562225 26 6 7 16 22 3 1 |36.858105| |12.472793|36.858105| |8.903682|17.690809|0.500000| |7.543909|12.370800|0.246320|36.858105| |4.869600|7.365125|0.186854|12.579882|36.858105| |3.881691|5.202621|0.129404|7.499301|13.723088|36.858105| |3.070725|3.922524|0.103669|4.978394|7.840609|13.682376|36.858105| |2.864655|3.661017|0.102515|4.404281|6.774976|7.925703|13.734196|36.858105| |3.194436|4.218074|0.124974|4.989107|7.823066|6.884595|7.932439|13.712648|36.858105| |4.123791|5.918990|0.178283|7.520773|13.704013|8.063416|6.944719|7.997561|13.835602|36.858105| |4.407640|6.161077|0.215018|6.774477|8.168033|5.333140|4.684810|5.319346|8.218795|14.389635|97.533100| |7.775244|13.030237|0.259489|7.673373|6.303496|5.131870|3.983759|3.643898|3.997022|5.137397|11.047950|53.358707| |5.384149|7.720985|0.212515|5.452982|5.300763|4.486124|3.799562|3.661560|4.069279|4.920010|10.764120|19.229500|36.858105| |4.796537|6.781093|0.226127|5.013033|5.121533|4.165833|3.681632|3.778116|4.459152|5.358808|12.621629|11.545114|15.835622|73.516695| |4.037973|4.976552|0.132271|4.021252|4.048059|3.809809|3.403155|3.231083|3.374331|3.758064|7.978899|10.623650|12.491491|14.264168|36.858105| |4.131427|4.806277|0.120614|3.938460|3.807899|3.682514|3.225371|2.964177|3.027193|3.389513|7.152126|10.327621|8.852717|10.468098|17.527872|0.500000| |3.396908|3.891966|0.109093|3.167428|3.158135|2.956859|2.737148|2.689955|2.840659|3.077681|6.826599|7.113271|7.476688|11.593869|12.448012|0.247024|36.858105| |2.758616|3.118169|0.086341|2.699280|2.770746|2.705622|2.590133|2.541362|2.597223|2.707521|5.867560|5.443826|5.156346|8.297957|8.128107|0.191667|13.039933|53.358707| |2.701328|3.123848|0.084589|2.817156|2.984808|3.034899|2.953319|2.838521|2.800205|2.866262|5.977435|5.515075|5.031042|7.831017|8.022786|0.198740|7.872584|17.884827|36.858105| |3.223737|3.980754|0.107113|3.582570|3.927383|3.970151|3.788578|3.603790|3.577551|3.724025|7.523623|7.469592|7.340996|10.749493|12.230700|0.247481|7.844745|10.995050|12.338949|36.858105| |3.196421|3.949990|0.101286|3.843764|4.347657|4.844817|4.610801|4.027541|3.732161|3.857855|7.383257|7.211011|5.862526|8.467732|7.477233|0.201942|5.024925|6.986584|7.407026|12.386599|36.858105| |2.607405|3.139670|0.082660|3.202592|3.761626|4.411727|4.727651|4.183938|3.625018|3.485056|6.596901|5.208339|4.154691|6.610334|4.848300|0.129036|3.825390|5.645043|5.874391|7.419023|12.505014|36.858105| |2.509643|3.078212|0.084042|3.170557|3.913161|4.483402|5.256795|5.154964|4.358751|3.894817|7.265471|4.902394|4.042272|6.912741|4.382551|0.109269|3.616390|5.213922|4.999981|6.461710|7.723217|12.695373|53.358707| |2.232425|2.676476|0.073315|2.791596|3.406341|3.931856|4.778520|4.780710|3.934678|3.428962|6.481224|4.136149|3.332439|5.781260|3.571417|0.091182|3.075333|4.488529|4.171847|4.896604|5.690606|9.184975|25.696363|0.500000| |2.706605|3.409241|0.093213|3.631907|4.769333|5.643653|7.129267|7.072235|5.587442|4.795937|8.482357|5.311151|4.282385|7.419706|4.315490|0.107220|3.472312|4.755264|4.321488|5.859897|7.122764|9.209447|25.547736|0.327181|0.500000| |2.479759|3.029756|0.085388|2.965322|3.532270|3.713264|4.090608|4.307465|4.053726|3.683789|7.252255|4.869735|4.321083|7.761477|4.830903|0.113031|4.257828|6.319747|5.932811|7.427068|6.505787|7.645215|17.238506|0.254736|0.254742|36.858105| |2.968347|3.737740|0.106580|3.451683|4.005832|3.958092|4.014204|4.145456|4.219238|4.143080|8.364201|6.377274|6.363145|11.478020|7.390833|0.152307|6.148272|8.392308|7.482960|12.316897|7.558731|6.486512|10.495008|0.157928|0.197511|12.509779|36.858105| |2.374289|2.611808|0.073365|2.289315|2.340480|2.281638|2.215428|2.206506|2.261521|2.326715|5.127376|4.318212|3.905327|6.662239|5.228670|0.130640|7.855419|18.968278|7.513107|5.230731|3.807950|3.334272|4.334203|0.079141|0.080862|3.868694|4.669372|36.858105| |2.356391|2.552205|0.072851|2.206834|2.225722|2.130453|2.056661|2.069348|2.158081|2.237379|5.041542|4.117946|3.706707|6.540925|4.602164|0.114727|7.124824|11.644228|5.309164|4.282153|3.230159|2.837702|3.775644|0.069565|0.072157|3.333685|4.030564|15.928008|73.516695| |2.038711|2.224261|0.061953|2.010656|2.077116|2.070029|2.047107|2.033772|2.042229|2.061815|4.492385|3.592744|3.106727|5.304542|3.981389|0.104219|5.015386|10.544945|6.349684|4.321878|3.426277|3.198381|4.125108|0.077617|0.075366|3.612255|3.947041|12.728619|14.406573|36.858105| |1.959871|2.119938|0.058059|1.943205|2.002027|2.030072|2.007027|1.959814|1.935562|1.954472|4.209591|3.427387|2.870092|4.776868|3.688169|0.101525|4.283711|8.519596|6.067021|4.069974|3.444070|3.266892|4.034037|0.076745|0.073133|3.356490|3.542012|7.564451|9.721532|14.131522|36.858105| |1.667597|1.788081|0.049132|1.669713|1.727740|1.764248|1.768794|1.737533|1.703613|1.698549|3.663022|2.808389|2.297476|3.896209|2.789091|0.076845|3.111027|5.517757|4.083330|3.080236|2.756129|2.748233|3.472065|0.068303|0.063206|2.828472|2.832665|4.745163|7.024008|7.426773|11.091927|388.023441| |1.636511|1.763243|0.049238|1.637142|1.701721|1.714251|1.728018|1.730978|1.719683|1.704277|3.716880|2.740354|2.280794|3.975587|2.712488|0.072299|3.130696|5.474598|3.812234|2.970859|2.571331|2.560260|3.385036|0.066632|0.062070|2.868813|2.883108|5.106781|7.948119|8.227944|7.774946|78.309886|36.858105| |1.802670|1.956886|0.055087|1.790491|1.859821|1.851071|1.854707|1.869757|1.880815|1.874092|4.113146|3.070638|2.618881|4.605587|3.158657|0.082174|3.835329|6.960048|4.486685|3.426046|2.825828|2.740551|3.666285|0.070754|0.067434|3.217978|3.358787|7.343850|11.246981|13.128590|8.215283|52.702670|14.158034|36.858105| |1.766987|1.918486|0.054796|1.749260|1.818003|1.786806|1.793955|1.836212|1.872630|1.860749|4.138412|2.963381|2.542843|4.600066|2.958984|0.075528|3.632533|6.102074|3.833461|3.138721|2.577510|2.495209|3.443594|0.066597|0.064357|3.066239|3.226809|6.255691|11.226191|7.695054|5.301672|35.063265|8.063724|14.223078|73.516695| |1.806824|1.994343|0.057614|1.829269|1.931828|1.893203|1.924224|2.004220|2.054216|2.012024|4.474106|3.061766|2.662629|4.942516|3.033603|0.075406|3.642485|5.931703|3.857950|3.304075|2.685599|2.639549|3.785495|0.073358|0.070679|3.506745|3.626216|5.517647|9.754875|5.970680|4.365722|28.468268|5.726818|8.115004|24.075374|36.858105| |1.436715|1.538440|0.043149|1.443746|1.502905|1.514255|1.538306|1.552982|1.542302|1.516568|3.322766|2.341668|1.920672|3.391930|2.203686|0.058812|2.481082|4.070784|2.880638|2.390722|2.128729|2.157565|2.909753|0.058376|0.053990|2.426365|2.385485|3.588093|5.973502|4.787937|4.613082|45.249939|11.125579|6.968844|10.903474|4.861089|448.794386| |17.579760|8.814578|0.214857|5.488085|4.025952|3.312965|2.725556|2.590614|2.887534|3.600221|8.816786|9.610192|5.431228|8.701161|4.158836|0.117909|3.663015|3.945746|2.747975|3.202690|3.054051|2.486010|3.257036|0.059191|0.070526|2.420368|2.934018|2.515083|4.511911|2.127966|2.028718|12.196607|1.691614|1.876530|3.283268|1.875291|11.881809|0.500000| |17.576061|8.813209|0.211839|6.924214|4.549796|3.605612|2.899754|2.745691|3.095156|3.986797|9.951231|7.642611|4.306401|7.263727|3.336937|0.093337|2.899360|3.283264|2.366056|2.781573|2.772822|2.338225|3.113895|0.057281|0.068840|2.256190|2.638792|2.118537|3.763545|1.842755|1.770646|10.870719|1.508668|1.652950|2.901167|1.674928|10.751208|0.301585|0.500000| |17.521314|8.761665|0.173423|6.801679|4.512688|3.834024|3.009673|2.728135|2.937096|3.679831|8.400414|9.480451|4.777785|7.265066|3.862136|0.115233|3.211432|3.639124|2.661591|3.133274|3.214268|2.616962|3.342970|0.060956|0.073055|2.382213|2.803281|2.296960|4.006073|1.997576|1.950643|11.826282|1.610286|1.758119|3.031318|1.728665|11.336793|0.300662|0.301856|0.500000| |6.986120|8.833235|0.174171|17.543015|8.965697|7.323912|4.775113|3.978944|4.181403|5.603066|11.091883|9.338484|4.796372|7.470613|3.817993|0.108871|2.994667|3.542264|2.754406|3.437514|3.853239|3.208439|4.161292|0.075378|0.095835|2.793244|3.185012|2.206812|3.750817|1.960561|1.923706|11.784958|1.603646|1.738536|2.989760|1.741176|11.345323|0.141589|0.174364|0.206807|0.500000| |7.009752|8.918477|0.215269|17.552825|8.945298|5.903065|4.316613|3.998712|4.640574|6.804875|15.548804|7.639638|4.368852|7.556632|3.339481|0.090617|2.763629|3.237753|2.447084|3.008605|3.164694|2.736986|3.749355|0.068805|0.086893|2.606873|2.969011|2.063112|3.578710|1.825640|1.760879|10.894636|1.511509|1.646816|2.883012|1.696967|10.812383|0.143013|0.212039|0.170319|0.304196|0.500000| |3.896064|4.924949|0.116778|6.970025|8.953831|17.706871|8.919767|5.646319|4.957683|5.700604|9.632454|6.774970|4.165075|6.599418|3.679801|0.103295|2.848624|3.577306|2.965382|3.779807|4.804694|4.313285|5.532551|0.100391|0.134115|3.348955|3.558146|2.215797|3.663257|2.024716|2.015067|12.464478|1.679690|1.800106|3.060804|1.800794|11.891636|0.091634|0.099517|0.112284|0.225785|0.152503|0.500000| |2.712163|3.318206|0.086955|4.071260|5.609906|8.895835|17.697930|8.888883|5.636812|4.989840|8.338752|4.671454|3.284418|5.579382|3.080187|0.082781|2.516676|3.321721|2.822150|3.496117|4.391082|4.833643|7.050314|0.138210|0.184316|3.850602|3.612686|2.105381|3.451661|1.981125|1.969407|12.483231|1.697983|1.800911|3.073059|1.843762|12.185427|0.067606|0.071273|0.075316|0.113821|0.100113|0.215693|0.500000| |2.468591|3.044201|0.085787|3.527959|4.900972|5.630600|8.881572|17.702418|8.917384|5.675716|9.635624|4.166920|3.131703|5.778776|2.863629|0.073232|2.455072|3.228441|2.653395|3.251584|3.587174|3.931891|6.837241|0.138696|0.182674|4.200750|3.795820|2.094343|3.489734|1.962037|1.893818|12.115236|1.704860|1.827853|3.199688|1.977304|12.402169|0.063005|0.066142|0.065700|0.090572|0.091142|0.123997|0.213461|0.500000| |2.878763|3.666122|0.112121|4.095633|5.617612|4.961023|5.624100|8.824403|17.741638|8.991515|16.900288|4.718296|3.631305|7.338505|3.059838|0.075753|2.679015|3.352210|2.606621|3.230132|3.241513|3.192968|5.292158|0.099993|0.131765|3.814640|3.914697|2.186808|3.751133|1.980632|1.859587|11.740213|1.688950|1.850449|3.317968|2.069761|12.271942|0.073847|0.078511|0.072964|0.096460|0.109966|0.107659|0.123475|0.212661|0.500000| |7.218461|9.007017|0.181570|6.493829|5.309600|4.741875|3.703480|3.286490|3.454293|4.241509|8.959374|26.043519|9.423573|10.884936|7.466149|0.242447|5.008940|5.402669|4.088590|5.295386|5.420446|3.836643|4.673811|0.081248|0.101079|3.336952|4.219477|3.137986|5.253992|2.643741|2.577241|14.957421|2.014300|2.235600|3.779839|2.162002|13.757859|0.184188|0.144087|0.209390|0.185421|0.136497|0.136870|0.091693|0.078027|0.083684|0.500000| |3.317198|3.846661|0.113280|3.119082|3.145610|2.878184|2.695810|2.727794|2.956010|3.186500|7.260681|6.629026|7.176764|13.279924|8.764911|0.174861|17.636350|12.307820|6.140880|6.518149|4.353146|3.492874|4.755992|0.083208|0.094583|4.265541|6.248771|7.032426|12.867801|4.599770|3.785082|20.453652|3.019450|3.753294|6.671428|3.916297|19.639266|0.099854|0.080143|0.084706|0.079892|0.076806|0.075404|0.068096|0.069389|0.079001|0.122789|0.500000| |3.459087|3.746778|0.103738|3.000395|2.884992|2.688707|2.459370|2.397086|2.533182|2.776702|6.259711|6.663026|6.278429|9.659851|8.724692|0.222833|17.619619|12.322051|5.956885|5.684884|4.182520|3.260144|4.139468|0.073488|0.081929|3.438616|4.576479|6.916806|12.354069|4.599101|4.041286|21.160617|2.960774|3.568221|6.015217|3.270500|19.015944|0.107192|0.081610|0.091633|0.079824|0.073659|0.073151|0.063257|0.060916|0.066559|0.135597|0.302915|0.500000| |2.378336|2.736545|0.075040|2.531585|2.733170|2.814900|2.832066|2.769698|2.695721|2.678748|5.572463|4.618860|4.107074|6.757664|5.701522|0.142150|5.821781|12.366588|17.617119|8.614209|6.200396|5.879021|7.180244|0.126405|0.120641|6.648579|7.097149|6.984439|8.802834|6.967088|6.643520|32.773068|4.359092|5.088639|7.519107|4.353439|25.978788|0.066799|0.058927|0.064944|0.068590|0.061981|0.075791|0.076215|0.073578|0.070648|0.093848|0.141304|0.128963|0.500000| |2.641181|2.981647|0.078850|2.720005|2.830875|2.931906|2.821586|2.642280|2.568483|2.649848|5.502619|5.247671|4.462942|6.746198|6.822139|0.200544|6.319717|12.295764|17.513712|8.796514|7.221905|5.718497|6.074284|0.106413|0.108368|4.773071|5.515698|6.154556|8.101348|5.710071|6.265735|29.858819|3.640920|4.067694|6.046988|3.306074|22.201491|0.074347|0.064113|0.073954|0.075691|0.065633|0.081850|0.076255|0.068643|0.065914|0.113152|0.135789|0.149831|0.303098|0.500000| |3.135901|3.698452|0.092680|3.572815|3.817902|4.247732|3.933546|3.388561|3.157876|3.318402|6.506976|6.732428|5.127394|7.265866|6.751133|0.214956|4.742361|6.717075|6.976316|8.778646|17.564773|8.984899|7.642779|0.127155|0.144588|4.890194|5.495307|3.706893|5.570959|3.393656|3.550752|20.084501|2.550834|2.760690|4.402278|2.512307|16.872075|0.083707|0.075130|0.090224|0.103266|0.082474|0.124086|0.107196|0.084916|0.077115|0.151954|0.110160|0.115486|0.157825|0.224879|0.500000| |3.669794|4.778925|0.118977|4.843533|5.712851|6.583886|5.797432|4.771241|4.411588|4.739866|8.670741|8.816798|6.604252|9.322842|7.009572|0.188448|4.576229|5.866636|5.469168|8.835685|17.566679|8.946316|9.467983|0.145444|0.209538|5.660821|6.714614|3.310424|5.189906|2.942758|2.915974|17.014476|2.268460|2.489467|4.128059|2.434290|15.389733|0.094301|0.087767|0.102321|0.134865|0.106064|0.179449|0.145827|0.112081|0.101992|0.179339|0.114142|0.108530|0.130605|0.146663|0.303908|0.500000| |2.340515|2.739058|0.072762|2.740064|3.112864|3.529399|3.751916|3.441872|3.057372|2.938571|5.742903|4.499811|3.627973|5.847413|4.395478|0.118591|3.706797|5.830046|6.322088|6.606041|8.722647|17.615100|12.438482|0.223265|0.180863|7.037551|5.732393|3.523225|5.210366|3.535396|3.721175|22.371376|2.862027|3.014613|4.760490|2.805163|19.116936|0.062946|0.058592|0.065400|0.076414|0.066299|0.096987|0.107577|0.092457|0.077043|0.093088|0.093315|0.088428|0.192494|0.176834|0.212992|0.173408|0.500000| |2.527789|3.006775|0.078049|3.186169|3.761400|4.679573|5.135494|4.263121|3.540268|3.392637|6.333717|4.830657|3.650679|5.819646|4.046036|0.111782|3.232383|4.645670|4.510057|5.435317|8.780534|17.628223|12.371472|0.223855|0.223050|5.595667|4.876491|2.829037|4.375227|2.741107|2.836944|17.477667|2.273586|2.392675|3.898226|2.300901|15.690446|0.066015|0.063552|0.071472|0.090841|0.076017|0.132082|0.157206|0.111923|0.085551|0.100368|0.082625|0.079032|0.124158|0.127607|0.212293|0.217627|0.301217|0.500000| |2.246414|2.664323|0.074545|2.587466|2.979900|3.143169|3.413045|3.511280|3.300362|3.053721|6.154889|4.274449|3.732122|6.585029|4.375598|0.105760|4.084832|6.560076|6.377215|6.597161|5.746434|7.040855|12.449067|0.223693|0.180708|17.626675|8.683473|4.157707|6.179141|4.107361|3.848348|23.208435|3.306189|3.676755|6.066421|3.905609|22.100590|0.061528|0.056892|0.060536|0.068804|0.063867|0.081165|0.092090|0.096905|0.087487|0.083412|0.111515|0.092844|0.229365|0.142461|0.129139|0.132038|0.214219|0.144542|0.500000| |2.340635|2.849665|0.082014|2.821032|3.400228|3.512589|3.983734|4.494771|4.298853|3.719239|7.400389|4.396149|3.843595|7.258549|4.028416|0.095080|3.684644|5.290535|4.552475|5.439820|4.887351|5.599562|12.366792|0.223766|0.222266|17.628782|8.805887|3.405539|5.414008|3.198199|2.935149|18.165516|2.658502|2.969166|5.195528|3.437757|18.589401|0.063399|0.060086|0.061854|0.072828|0.070249|0.086324|0.103199|0.126744|0.117321|0.082534|0.106705|0.084666|0.139747|0.105166|0.107727|0.127251|0.144488|0.126611|0.301469|0.500000| |3.302716|4.373330|0.128263|4.059806|4.928008|4.640169|4.646853|4.979529|5.378783|5.342688|10.573674|7.281658|7.375893|14.657492|6.898632|0.143297|5.454972|6.701039|5.493890|8.760965|6.672937|5.633335|9.439181|0.145263|0.208507|8.952309|17.625126|3.887380|6.281799|3.285650|2.979842|17.402108|2.495743|2.869254|5.006770|3.154194|17.000268|0.089221|0.081780|0.084798|0.100235|0.095969|0.110591|0.110296|0.121234|0.135925|0.126252|0.160888|0.117952|0.141427|0.123116|0.137078|0.192515|0.131608|0.126688|0.173182|0.218765|0.500000| |2.792765|3.414458|0.099913|3.072109|3.438555|3.304785|3.329713|3.510739|3.687033|3.639727|7.741057|5.665273|5.729238|11.127661|6.650371|0.136989|6.743649|9.355152|7.087136|8.745508|5.498768|4.878669|7.632810|0.127026|0.144407|8.979161|17.598174|5.474807|8.540699|4.426837|3.739839|21.113260|3.147351|3.811884|6.711611|4.399564|20.742688|0.078482|0.069515|0.072541|0.078404|0.075182|0.083417|0.084007|0.091192|0.099055|0.104179|0.211790|0.135965|0.194116|0.141353|0.123079|0.137822|0.128804|0.107539|0.211572|0.212678|0.306717|0.500000| |2.070015|2.229401|0.060193|2.042036|2.087344|2.130661|2.083399|2.001639|1.966035|2.004354|4.289242|3.654983|3.015749|4.882818|3.970476|0.114084|4.442736|8.675415|6.579335|4.330302|3.765698|3.480448|4.120915|0.077668|0.074956|3.313873|3.546603|6.639322|8.714838|8.777469|17.791564|55.704637|5.453471|5.677219|7.391616|3.603099|29.751017|0.059393|0.051548|0.057866|0.056744|0.051048|0.059450|0.056970|0.053315|0.051910|0.077853|0.104507|0.118499|0.183030|0.216302|0.112393|0.087430|0.110220|0.084396|0.103411|0.079300|0.083457|0.100481|0.500000| |1.734502|1.901633|0.055400|1.743396|1.832717|1.780511|1.807241|1.897028|1.964465|1.925386|4.336593|2.871041|2.476118|4.667532|2.735781|0.068213|3.261949|5.015347|3.249743|2.898630|2.395601|2.346376|3.391479|0.066051|0.064466|3.082781|3.206117|4.515746|8.539828|4.619787|3.565111|23.780772|4.585476|5.918060|16.940041|17.666118|34.191347|0.050162|0.045008|0.045863|0.045904|0.045330|0.046925|0.047948|0.052087|0.055559|0.056021|0.099500|0.082995|0.098534|0.078673|0.062331|0.061454|0.068195|0.057614|0.092425|0.085987|0.080048|0.107061|0.084418|0.500000| 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