Version2.1 2021-01-09T01:04:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 18-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](CC1=c2ccccc2=[NH+]C1)NC(=O)CNC(=O)c3ccc4c(c3)S[C@H](N4)n5cccc5 C63948432 RHF 6-31G(d) (6D,7F) C[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)CNC(=O)c3ccc4c(c3)S[C@H](N4)n5cccc5 C01[X(C25H26N5O2S1)] 171 C1 551 O=C(N[C@H](CC1=c2ccccc2=[NH+]C1)C)CNC(=O)c1ccc2c(c1)S[C@H](N2)n1cccc1 O=C(N[C@H](CC1=c2ccccc2=[NH+]C1)C)CNC(=O)c1ccc2c(c1)S[C@H](N2)n1cccc1 C[C@@H](CC1=C2C=CC=CC2=[NH+]C1)NC(=O)CNC(=O)c3ccc4N[C@@H](Sc4c3)n5cccc5 InChIKey=URYUJQBFQRMQFB-IVCQMTBJSA-O InChI=1S/C25H25N5O2S/c1-16(12-18-14-26-20-7-3-2-6-19(18)20)28-23(31)15-27-24(32)17-8-9-21-22(13-17)33-25(29-21)30-10-4-5-11-30/h2-11,13,16,25,29H,12,14-15H2,1H3,(H,27,32)(H,28,31)/p+1/t16-,25+/m0/s1 InChI=1/C25H25N5O2S/c1-16(12-18-14-26-20-7-3-2-6-19(18)20)28-23(31)15-27-24(32)17-8-9-21-22(13-17)33-25(29-21)30-10-4-5-11-30/h2-11,13,16,25,29H,12,14-15H2,1H3,(H,27,32)(H,28,31)/p+1/t16-,25+/m0/s1/fC25H26N5O2S/h26-28H/q+1 C[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)CNC(=O)c3ccc4c(c3)S[C@H](N4)n5cccc5 C01[X(C25H26N5O2S1)] 171 C01 551 O=C(N[C@H](CC1=c2ccccc2=[NH+]C1)C)CNC(=O)c1ccc2c(c1)S[C@H](N2)n1cccc1 O=C(N[C@H](CC1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1)C)CNC(=O)[C]1[CH][CH][C]2[C]([CH]1)S[C@H](N2)N1C=[CH][CH]=C1 C[C@@H](CC1=C2C=CC=C[C]2NC1)NC(=O)CNC(=O)[C]3[CH][CH][C]4N[C@@H](S[C]4[CH]3)n5cccc5 InChIKey=AUFXMCVFBMPHRY-IVCQMTBJSA-N InChI=1S/C25H26N5O2S/c1-16(12-18-14-26-20-7-3-2-6-19(18)20)28-23(31)15-27-24(32)17-8-9-21-22(13-17)33-25(29-21)30-10-4-5-11-30/h2-11,13,16,25-26,29H,12,14-15H2,1H3,(H,27,32)(H,28,31)/t16-,25+/m0/s1 InChI=1/C25H26N5O2S/c1-16(12-18-14-26-20-7-3-2-6-19(18)20)28-23(31)15-27-24(32)17-8-9-21-22(13-17)33-25(29-21)30-10-4-5-11-30/h2-11,13,16,25-26,29H,12,14-15H2,1H3,(H,27,32)(H,28,31)/t16-,25+/m0/s1/f/h27-28H 3398.9094473164 -1781.1611716 1-A 21749.2602 121 430 551 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.02975 -20.63481 -20.62436 -15.75059 -15.69797 -15.68170 -15.67335 -15.66887 -11.46015 -11.45567 -11.44805 -11.43005 -11.42397 -11.40659 -11.39940 -11.39629 -11.38438 -11.37892 -11.37708 -11.37673 -11.36945 -11.36855 -11.36319 -11.34630 -11.33575 -11.33438 -11.33046 -11.32402 -11.31798 -11.30985 -11.30702 -11.26666 -11.26455 -9.04016 -6.72274 -6.72180 -6.71945 -1.50648 -1.48822 -1.45711 -1.39794 -1.35423 -1.34240 -1.33456 -1.28463 -1.24757 -1.24159 -1.17900 -1.15830 -1.15348 -1.14254 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17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 6 6 1 6 6 6 6 6 6 6 6 7 1 6 7 6 8 6 7 6 8 6 6 6 6 6 6 16 6 1 7 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 1.00783 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 7392.9118 33830.3622 38021.9683 0.99999 0.00384 0.00140 -0.00386 0.99996 0.00798 -0.00137 -0.00798 0.99997 1 0.01172 0.00256 0.00228 0.24412 0.05335 0.04747 9.00 20.10 29.42 32.62 47.05 50.53 82.73 87.09 111.69 115.73 143.53 152.11 195.61 206.15 251.53 255.09 289.37 319.98 325.46 345.35 358.59 381.69 400.93 414.08 444.93 481.24 505.92 508.10 550.58 597.25 607.78 624.08 673.39 678.00 703.34 709.28 721.04 729.51 745.78 765.47 788.77 794.09 818.50 830.69 853.53 889.63 915.78 927.55 938.53 965.09 985.08 1022.03 1103.89 1137.45 1140.07 1141.55 1157.10 1171.54 1181.25 1199.15 1201.18 1226.97 1240.40 1249.14 1312.63 1329.03 1339.08 1365.74 1368.05 1376.81 1396.92 1407.98 1408.83 1464.89 1465.54 1488.16 1499.58 1503.40 1520.43 1521.15 1548.21 1552.31 1605.85 1610.94 1624.02 1643.26 1661.05 1670.48 1673.20 1690.70 1703.43 1737.72 1739.28 1749.94 1793.64 1814.07 1821.92 1842.55 1855.57 1873.34 1894.70 1896.62 1917.92 1924.09 1956.28 1985.14 1989.75 2000.73 2018.07 2037.79 2039.57 2058.08 2062.16 2082.33 2093.18 2145.66 2161.62 2202.40 2211.85 2238.94 2250.57 2251.84 2254.68 2263.15 2286.41 2293.36 2297.25 2319.06 2337.47 2338.29 2356.94 2362.59 2378.65 2383.89 2396.92 2450.71 2463.94 2505.84 2507.17 2547.47 2554.58 2571.56 2664.77 2723.72 2820.85 4618.91 4639.86 4647.62 4671.59 4711.02 4712.25 4748.02 4749.68 4753.61 4763.88 4783.40 4857.25 4874.22 4883.22 4887.97 4904.34 4909.98 4915.29 4926.23 4941.54 4964.47 4977.36 5522.52 5551.63 5585.85 5608.59 0.516410 0.544105 0.545049 0.452576 -1780.644762 -1780.617067 -1780.616123 -1780.708595 3.101526D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2021 DUDE C[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)CNC(=O)c3ccc4c(c3)S[C@H](N4)n5cccc5 C63948432 RHF 6-31G(d) (6D,10F) C1 460.180722 |X|Y|Z| 57.233689 32.338537 132.013869 62.516870 30 6 7 16 24 5 1 |36.858105| |12.476110|36.858105| |8.880416|17.632945|0.500000| |7.555102|12.276897|0.245943|36.858105| |4.917662|7.472268|0.192133|12.723356|36.858105| |3.996176|5.542643|0.164124|7.402565|14.042663|36.858105| |3.771888|4.841933|0.154614|5.818007|7.429246|13.217540|36.858105| |3.009927|3.672874|0.115919|4.147485|5.136772|7.957886|14.202041|36.858105| |2.622103|3.199257|0.097794|3.591742|4.649691|6.883031|7.866931|13.169670|36.858105| |2.660117|3.319984|0.098466|3.801805|5.291158|7.655809|6.615844|7.715270|14.076977|36.858105| |3.185583|4.190995|0.121158|5.107319|8.431601|13.217540|7.651779|6.816838|8.071248|13.425736|36.858105| |3.165938|4.159843|0.113487|5.087840|8.283981|8.452101|5.298181|4.658788|5.260845|7.719538|14.523186|53.358707| |2.777591|3.520478|0.096053|4.089332|5.847765|5.929133|4.239131|3.951135|4.639158|6.800425|9.275931|26.028366|0.500000| |3.931958|5.431807|0.136685|7.255077|12.743226|8.221928|5.085334|4.106188|4.155595|5.199840|8.384523|17.943466|0.245394|36.858105| |7.811831|13.114729|0.258575|7.637257|6.290232|4.723995|3.942617|3.188208|2.944020|3.170321|3.988572|5.770258|0.103165|5.621744|53.358707| |5.232103|7.727915|0.208417|5.654013|5.700050|4.700544|3.899573|3.275304|3.126862|3.428241|4.249710|6.170342|0.113041|5.529434|19.120858|36.858105| |4.588657|6.804095|0.216588|5.413440|6.061128|5.526472|4.614168|3.899323|3.730090|4.074965|5.019062|6.830550|0.122981|5.587017|11.561292|15.879671|73.516695| |4.026925|5.005038|0.132318|4.053000|4.100843|3.523979|3.005734|2.648191|2.609799|2.879554|3.408461|5.116984|0.099909|4.364742|10.672531|12.490117|14.140313|36.858105| |3.163583|3.869956|0.106861|3.382147|3.647740|3.312505|2.836781|2.590156|2.645914|2.970139|3.404999|5.148676|0.105220|4.046654|7.096167|7.711269|12.157918|13.288775|53.358707| |2.888059|3.570242|0.097559|3.351390|3.825418|3.501852|2.903771|2.680227|2.831515|3.311360|3.824496|6.116887|0.131795|4.598214|6.222859|6.206107|10.605621|7.893693|19.078162|36.858105| |3.074735|3.876284|0.102218|3.819753|4.494317|3.926197|3.110701|2.811776|2.970857|3.568658|4.345184|7.564504|0.164770|5.986258|6.779759|6.297455|10.342145|7.078202|11.605902|15.723998|73.516695| |2.381894|2.850122|0.079574|2.734139|3.132453|3.021159|2.588902|2.482879|2.700129|3.151156|3.413814|5.285637|0.119046|3.676849|4.637487|4.318486|7.912449|5.065211|10.664565|12.815443|14.324326|36.858105| |2.160844|2.512587|0.070915|2.363520|2.623040|2.559985|2.274509|2.208580|2.373517|2.672777|2.811839|4.171153|0.091471|2.939849|4.027725|3.677933|6.716941|4.405002|8.959501|7.521354|9.371705|13.704969|36.858105| |1.878895|2.149420|0.060907|2.055276|2.279114|2.267239|2.050926|2.031457|2.209593|2.465648|2.512342|3.666934|0.081161|2.529326|3.336284|2.931647|5.421307|3.338626|6.067651|5.009958|7.094814|7.869840|13.751260|36.858105| |1.783487|2.045600|0.057827|2.004943|2.260745|2.277917|2.052777|2.058829|2.289561|2.593090|2.591886|3.802897|0.086371|2.543765|3.118529|2.688693|5.024544|2.944647|5.119304|4.465471|6.785574|6.851294|7.982789|13.752636|36.858105| |1.901378|2.215330|0.062216|2.216689|2.563533|2.584676|2.274275|2.274597|2.577749|3.023354|3.041477|4.595056|0.108619|2.979895|3.376973|2.910444|5.468149|3.119842|5.386902|5.103073|8.128944|7.956509|6.919427|7.908085|13.636040|36.858105| |2.188039|2.608476|0.072680|2.607461|3.068727|3.028899|2.579159|2.520350|2.834319|3.409367|3.597627|5.680420|0.136639|3.700836|4.080425|3.613895|6.757714|3.913168|7.056161|7.717774|12.086039|13.620965|7.928624|6.826059|7.919032|13.916663|36.858105| |1.689961|1.942946|0.054483|1.990067|2.303138|2.362547|2.108198|2.149379|2.480126|2.900665|2.813125|4.186163|0.099923|2.655559|2.875834|2.390605|4.493354|2.477965|4.006131|3.597801|6.185208|4.655562|4.225778|4.833440|7.281502|10.774259|6.738143|388.023441| |1.513090|1.708053|0.048077|1.717292|1.933593|1.974837|1.805271|1.843269|2.077544|2.335443|2.264569|3.286776|0.075229|2.164053|2.526427|2.091172|3.896416|2.207269|3.560881|3.031108|5.035426|3.910063|4.005438|5.135575|7.960061|7.354782|4.827094|73.385521|36.858105| |1.438586|1.617625|0.045778|1.630621|1.834012|1.894984|1.754295|1.812350|2.052727|2.280144|2.169721|3.093155|0.070161|2.024838|2.363629|1.943683|3.649706|2.021289|3.209822|2.681429|4.488260|3.343285|3.422972|4.259201|5.964733|5.600808|4.011877|56.485807|17.680518|0.500000| |1.587100|1.795354|0.050826|1.772783|1.983701|2.018358|1.849712|1.878705|2.094229|2.335080|2.285591|3.298172|0.074418|2.200479|2.685432|2.261954|4.225956|2.430121|4.031961|3.383400|5.373210|4.592806|5.161592|7.731156|13.860386|8.216196|5.295113|51.934884|13.164766|0.254197|53.358707| 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|17.582862|8.833537|0.214009|5.490874|4.062945|3.462734|3.335335|2.754308|2.425632|2.446312|2.857577|3.859157|0.070418|3.401490|9.674308|5.148668|7.959660|4.127813|4.365175|2.836266|5.214811|2.352577|2.173398|1.886168|1.769067|1.861096|2.128755|11.678888|1.488316|0.039308|2.142814|1.892612|1.265809|1.215918|1.292955|1.411012|0.301666|0.500000| |17.535269|8.770074|0.173200|6.828872|4.531692|3.602992|3.312439|2.694207|2.401494|2.473604|2.966043|4.134157|0.074896|3.841616|9.519298|4.692368|7.099640|3.853313|4.119767|2.799638|5.388166|2.306191|2.087129|1.818657|1.731534|1.850462|2.129184|11.746521|1.479019|0.038944|2.101009|1.894740|1.268934|1.225169|1.307090|1.421353|0.301835|0.300685|0.500000| |7.069639|8.840466|0.212671|17.573181|8.997931|6.886489|6.293743|4.372344|3.601073|3.637960|4.641203|5.925719|0.099005|5.531279|7.613910|4.442244|7.883040|3.351023|3.917637|2.846771|5.626118|2.402429|2.114458|1.869555|1.832997|2.011043|2.317013|13.053877|1.597153|0.042466|2.234267|2.012548|1.348790|1.284781|1.354114|1.481678|0.214120|0.143490|0.173010|0.500000| |6.916809|8.808338|0.174056|17.557029|8.984496|5.649358|4.507838|3.448930|3.107048|3.347022|4.397716|6.385957|0.108410|6.962721|9.438961|5.028540|8.069584|3.894209|4.399910|3.238658|6.712293|2.637060|2.277649|1.984839|1.940694|2.149436|2.526805|13.793636|1.675410|0.044018|2.340789|2.129218|1.417825|1.360076|1.450465|1.589632|0.171465|0.140929|0.205115|0.302746|0.500000| |4.246647|5.242577|0.171262|6.153061|6.563297|8.712554|17.744140|9.033792|5.589167|4.819073|5.500139|5.840564|0.098216|4.430543|5.428611|3.774109|7.672079|2.903383|3.638043|2.668283|5.043817|2.364067|2.108996|1.901031|1.883100|2.057208|2.318982|13.530002|1.656223|0.044707|2.318865|2.049719|1.378384|1.294410|1.344698|1.477436|0.128494|0.102985|0.100883|0.206213|0.129637|0.500000| |2.787234|3.263214|0.103337|3.565231|4.104008|5.628051|9.044956|17.755509|8.769385|5.589768|4.928140|5.023167|0.089945|3.357960|3.848252|2.882018|5.991037|2.377189|3.161942|2.369277|4.356110|2.220912|2.015147|1.872843|1.891568|2.057517|2.241942|13.928319|1.710700|0.047045|2.375861|2.090302|1.416954|1.314512|1.344240|1.476505|0.081359|0.071872|0.069220|0.106833|0.083893|0.215780|0.500000| |2.303825|2.731078|0.083064|2.991732|3.683773|4.958611|5.657223|8.798345|17.722533|9.098467|5.699478|5.716644|0.108391|3.400331|3.466844|2.712210|5.663647|2.329063|3.254119|2.550065|4.678178|2.496815|2.237418|2.124179|2.219463|2.471104|2.642387|17.279353|2.060445|0.057324|2.810979|2.464470|1.665180|1.518964|1.538773|1.706351|0.064609|0.060008|0.058991|0.083816|0.073464|0.124082|0.215602|0.500000| |2.358108|2.879124|0.084096|3.228182|4.294483|5.496589|4.819900|5.523307|8.953059|17.753438|8.749599|9.240400|0.192103|4.545838|3.854768|3.096146|6.403588|2.707406|3.906727|3.277599|6.230599|3.249734|2.750813|2.588992|2.798642|3.331301|3.673607|23.541598|2.588417|0.070607|3.460005|3.045493|2.010950|1.819629|1.864556|2.108467|0.063986|0.060920|0.061725|0.085220|0.081455|0.105287|0.123189|0.216836|0.500000| |3.668182|4.696580|0.114947|6.480996|8.932519|6.278005|4.322684|3.577502|3.609845|4.388984|6.341041|12.372514|0.202327|17.526040|6.493567|4.450244|7.670094|3.749081|4.718294|3.913256|8.982293|3.227555|2.631022|2.302704|2.334052|2.723492|3.302422|17.719802|2.041310|0.053116|2.787734|2.576574|1.695247|1.615712|1.731823|1.922332|0.094171|0.087486|0.103676|0.144394|0.197690|0.108330|0.083463|0.084283|0.110300|0.500000| |4.020817|5.597060|0.138140|6.430173|8.799258|6.184824|4.273399|3.556857|3.608337|4.404485|6.335557|12.434067|0.212333|17.611299|9.123912|6.992399|11.577016|5.608361|6.930966|5.917117|15.144984|4.329235|3.361521|2.799994|2.763269|3.233743|4.171384|19.691220|2.268528|0.058226|3.186872|2.822810|1.822438|1.726099|1.869787|2.113802|0.097950|0.098973|0.110055|0.133743|0.176715|0.106841|0.083002|0.084366|0.111162|0.300153|0.500000| |7.461868|9.029855|0.183336|6.231652|5.060710|3.891707|3.316849|2.751687|2.570720|2.766088|3.400132|5.016959|0.092273|4.831797|26.028483|9.375898|10.872353|7.538192|6.658835|4.262446|8.276654|3.205129|2.823335|2.347523|2.185646|2.349210|2.814966|14.279694|1.781103|0.046150|2.572757|2.265220|1.488570|1.432506|1.550440|1.714560|0.146664|0.196222|0.213530|0.133809|0.177630|0.093806|0.068813|0.062767|0.069947|0.121566|0.160570|0.500000| |3.956585|4.740669|0.118374|4.015650|3.982309|3.320155|2.799950|2.458971|2.430420|2.702013|3.225909|4.997236|0.098498|4.419126|10.085452|8.856443|10.615652|17.613162|12.569190|7.131624|12.978334|4.665484|4.004657|3.108025|2.792065|2.991504|3.745785|17.169172|2.143047|0.054275|3.164017|2.723824|1.750443|1.685574|1.862830|2.099076|0.090434|0.110231|0.110555|0.091494|0.112817|0.075415|0.061376|0.060368|0.071082|0.109726|0.161484|0.228261|0.500000| |3.966603|4.600287|0.124326|3.602347|3.505705|3.087917|2.740683|2.438187|2.372524|2.552561|2.939975|4.274238|0.083469|3.570449|9.125254|8.959222|11.492931|17.567476|12.626460|5.781220|9.054671|4.249511|3.995168|3.108964|2.700299|2.774430|3.335896|15.904139|2.044459|0.052366|3.084524|2.574209|1.664263|1.592279|1.738902|1.954479|0.091221|0.119124|0.104607|0.085410|0.096005|0.074997|0.061910|0.059555|0.066747|0.087443|0.119962|0.188906|0.302770|0.500000| |2.942314|3.528792|0.100808|3.059150|3.283269|3.089094|2.729460|2.538437|2.594483|2.857916|3.171134|4.617974|0.094340|3.509650|6.128756|6.447670|11.255332|9.149926|26.096794|9.408301|10.992353|7.361968|7.251793|4.840174|3.899685|3.916031|4.871323|20.605286|2.645437|0.066675|4.179338|3.220451|2.023986|1.897169|2.079962|2.415475|0.071895|0.084291|0.077073|0.074035|0.080075|0.071655|0.063962|0.065930|0.077023|0.084029|0.116598|0.116287|0.182091|0.229816|0.500000| |2.222365|2.554338|0.072151|2.343636|2.538302|2.451214|2.201615|2.118930|2.230547|2.465111|2.615568|3.833894|0.082000|2.782872|4.149086|3.811209|6.795984|4.801825|9.916004|6.870779|8.573387|8.877066|17.736028|9.012763|5.687849|4.978286|5.630931|24.281595|3.324670|0.081095|5.677153|4.035549|2.457159|2.291493|2.562691|3.068861|0.055862|0.063018|0.059532|0.058262|0.062744|0.057482|0.054109|0.058322|0.069215|0.069361|0.088847|0.081625|0.118708|0.126481|0.246481|0.500000| |1.758268|1.981120|0.056289|1.880311|2.052483|2.044565|1.878860|1.866663|2.009183|2.200387|2.228212|3.205330|0.069908|2.236616|3.049877|2.642702|4.858053|3.008062|5.266830|4.078370|5.925734|5.615419|8.899840|17.728766|8.891699|5.623445|4.928610|28.491084|4.590023|0.109815|9.408450|5.414493|3.192807|2.881857|3.187180|3.955158|0.045312|0.049422|0.047273|0.047907|0.050484|0.048835|0.048329|0.054076|0.063739|0.057016|0.068180|0.060028|0.077871|0.080155|0.119129|0.217474|0.500000| |2.283972|2.754712|0.075889|2.837705|3.436371|3.369736|2.784978|2.699420|3.070974|3.832718|4.151868|6.962074|0.179936|4.364657|4.274657|3.709202|6.913780|3.860389|6.532415|7.218805|13.622884|8.910432|5.650494|4.931779|5.631610|8.945877|17.763909|44.405624|4.209808|0.100366|5.829465|4.889166|2.900982|2.635494|2.924584|3.610920|0.058441|0.060783|0.062055|0.069533|0.076858|0.068746|0.065752|0.078344|0.115899|0.108269|0.135719|0.081528|0.105092|0.089753|0.120333|0.123991|0.107185|0.500000| |1.503684|1.683420|0.047624|1.650971|1.823172|1.846468|1.706592|1.729337|1.904057|2.093765|2.057887|2.952966|0.065750|2.001751|2.516042|2.105118|3.899341|2.280051|3.743140|3.048269|4.832443|3.994834|4.685125|7.025468|9.299578|5.932942|4.317570|38.247863|9.164904|0.206854|25.989475|10.031835|5.392057|4.354363|4.563628|6.075389|0.039345|0.041658|0.040690|0.042618|0.044601|0.044031|0.044966|0.052273|0.062567|0.052038|0.059199|0.049518|0.060729|0.059921|0.079849|0.110514|0.202227|0.099466|0.500000| |1.247488|1.378121|0.038643|1.394284|1.540141|1.572976|1.466146|1.504378|1.672843|1.831427|1.765185|2.523986|0.056550|1.691514|2.002109|1.610403|2.967206|1.681329|2.596574|2.124530|3.631952|2.515513|2.575893|3.052770|3.774449|3.604094|2.885179|33.042662|6.936769|0.226438|6.739152|12.170259|17.795978|8.644343|5.786049|5.881093|0.033140|0.034104|0.034081|0.036563|0.038080|0.037830|0.039420|0.046736|0.055800|0.045302|0.048410|0.039607|0.045921|0.044034|0.053383|0.063700|0.082342|0.075141|0.136918|0.500000| |1.156096|1.260743|0.034948|1.274528|1.385355|1.389126|1.290468|1.304316|1.423292|1.553040|1.532436|2.218413|0.049315|1.525835|1.839625|1.458695|2.632968|1.542996|2.345424|1.898758|3.285971|2.180534|2.230295|2.546520|2.939623|2.836981|2.421795|23.550351|4.159906|0.113038|4.710214|7.976567|8.809105|17.792930|8.495328|5.813177|0.030650|0.031642|0.031916|0.033405|0.035258|0.033650|0.034236|0.039332|0.046457|0.041504|0.043917|0.036907|0.042891|0.040650|0.047652|0.056572|0.069637|0.064087|0.099516|0.197570|0.500000| 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