Version2.1 2021-01-18T23:10:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)NC(=O)c2ccc3c(c2)sc(n3)n4cccc4 C36593231 RHF 6-31G(d) (6D,7F) CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)NC(=O)c2ccc3c(c2)sc(n3)n4cccc4 C01[X(C24H32N5O2S1)] 186 C1 548 CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)NC(=O)c1ccc2c(c1)sc(n2)n1cccc1 CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)NC(=O)c1ccc2c(c1)sc(n2)n1cccc1 CC[NH+]1CCC[C@@H]1CNC(=O)[C@H](NC(=O)c2ccc3nc(sc3c2)n4cccc4)C(C)C InChIKey=KLJUFHBTLRMBAE-WIYYLYMNSA-O InChI=1S/C24H31N5O2S/c1-4-28-13-7-8-18(28)15-25-23(31)21(16(2)3)27-22(30)17-9-10-19-20(14-17)32-24(26-19)29-11-5-6-12-29/h5-6,9-12,14,16,18,21H,4,7-8,13,15H2,1-3H3,(H,25,31)(H,27,30)/p+1/t18-,21-/m1/s1 InChI=1/C24H31N5O2S/c1-4-28-13-7-8-18(28)15-25-23(31)21(16(2)3)27-22(30)17-9-10-19-20(14-17)32-24(26-19)29-11-5-6-12-29/h5-6,9-12,14,16,18,21H,4,7-8,13,15H2,1-3H3,(H,25,31)(H,27,30)/p+1/t18-,21-/m1/s1/fC24H32N5O2S/h25,27-28H/q+1 CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)NC(=O)c2ccc3c(c2)sc(n3)n4cccc4 C01[X(C24H32N5O2S1)] 186 C01 548 CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)NC(=O)c1ccc2c(c1)sc(n2)n1cccc1 CC[NH]1CCC[C@@H]1C[NH][C](=O)[C@@H](C(C)C)NC(=O)[C]1[CH][CH][C]2[C]([CH]1)SC(=N2)N1C=[CH][CH]=C1 CC[NH]1CCC[C@@H]1CNC(=O)[C@H](NC(=O)[C]2[CH][CH][C]3N=C(S[C]3[CH]2)n4cccc4)C(C)C InChIKey=LVTYRMSSANOLCY-WIYYLYMNSA-N InChI=1S/C24H32N5O2S/c1-4-28-13-7-8-18(28)15-25-23(31)21(16(2)3)27-22(30)17-9-10-19-20(14-17)32-24(26-19)29-11-5-6-12-29/h5-6,9-12,14,16,18,21,28H,4,7-8,13,15H2,1-3H3,(H,25,31)(H,27,30)/t18-,21-/m1/s1 InChI=1/C24H32N5O2S/c1-4-28-13-7-8-18(28)15-25-23(31)21(16(2)3)27-22(30)17-9-10-19-20(14-17)32-24(26-19)29-11-5-6-12-29/h5-6,9-12,14,16,18,21,28H,4,7-8,13,15H2,1-3H3,(H,25,31)(H,27,30)/t18-,21-/m1/s1/f/h25,27H 3286.8084425736 -1746.8198864 1-A 26680.3793 121 427 548 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.05487 -20.66453 -20.62674 -15.80902 -15.70741 -15.69448 -15.69265 -15.63321 -11.47542 -11.45437 -11.43545 -11.42849 -11.42099 -11.42000 -11.40809 -11.38567 -11.37071 -11.36981 -11.35839 -11.35232 -11.34813 -11.33483 -11.33332 -11.33217 -11.32952 -11.32062 -11.31480 -11.31422 -11.30912 -11.30173 -11.27888 -11.27484 -9.06560 -6.74809 -6.74722 -6.74516 -1.52876 -1.49493 -1.46292 -1.41532 -1.36610 -1.34778 -1.34331 -1.24183 -1.23920 -1.19330 -1.18185 -1.15982 -1.15884 -1.14784 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 6675.1261 42561.1357 47243.5939 1.00000 0.00220 -0.00012 -0.00220 1.00000 -0.00007 0.00012 0.00007 1.00000 1 0.01298 0.00204 0.00183 0.27037 0.04240 0.03820 17.11 27.48 30.66 53.94 64.13 77.44 81.21 91.74 95.02 119.04 146.92 162.06 180.21 187.46 190.92 221.07 265.55 289.48 302.92 309.70 313.20 330.56 359.77 363.47 372.75 393.35 408.24 428.37 486.32 496.24 531.60 539.38 553.76 572.40 623.00 645.92 660.00 690.23 691.32 703.00 730.60 744.97 797.64 824.48 844.05 892.63 904.69 924.30 949.74 1009.30 1014.63 1018.41 1071.11 1090.01 1137.40 1149.35 1159.64 1174.33 1199.24 1221.04 1239.96 1260.11 1279.22 1297.08 1323.56 1336.29 1355.04 1355.53 1373.39 1399.60 1410.31 1422.97 1437.88 1440.89 1451.51 1468.21 1476.92 1489.76 1506.66 1509.40 1510.54 1566.21 1569.61 1570.41 1576.50 1612.52 1612.76 1646.36 1666.29 1685.87 1701.00 1715.41 1735.75 1759.55 1781.33 1786.83 1789.61 1808.65 1824.59 1846.06 1853.64 1874.23 1910.73 1918.99 1945.03 1966.76 1977.41 1990.23 2008.64 2031.73 2055.88 2060.30 2075.14 2085.90 2099.82 2111.52 2126.02 2131.59 2146.52 2157.91 2165.65 2172.22 2180.90 2236.34 2243.97 2247.88 2249.43 2252.43 2273.67 2279.47 2281.38 2321.68 2333.95 2346.35 2352.28 2352.94 2357.23 2359.29 2359.83 2372.71 2373.91 2378.61 2389.18 2391.22 2392.08 2423.39 2440.70 2472.67 2508.12 2521.63 2547.04 2607.05 2707.48 2734.14 4615.35 4626.07 4640.61 4644.04 4648.50 4654.42 4668.36 4706.87 4708.54 4718.35 4719.69 4728.54 4734.56 4738.74 4739.38 4746.63 4752.13 4754.85 4762.04 4769.69 4795.58 4844.97 4859.65 4903.17 4915.36 4939.44 4957.38 4987.19 5032.83 5045.29 5419.18 5614.55 0.585989 0.614958 0.615902 0.522380 -1746.233897 -1746.204928 -1746.203984 -1746.297506 3.136743D-04 MUNgauss RevisionA2.0 retrievium 18-Jan-2021 DUDE CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)NC(=O)c2ccc3c(c2)sc(n3)n4cccc4 C36593231 RHF 6-31G(d) (6D,10F) C1 454.227672 |X|Y|Z| 150.231707 58.200521 26.893960 61.723102 25 6 7 16 19 5 1 |36.858105| |12.518849|36.858105| |7.567326|12.685493|53.358707| |7.292495|9.387904|25.471702|0.500000| |6.080536|7.554074|17.245765|0.253461|36.858105| |4.500800|5.860327|10.880113|0.164202|12.530914|36.858105| |3.973606|5.416178|10.634981|0.168620|8.020720|12.470240|36.858105| |4.915294|7.552227|16.957926|0.255282|7.830301|7.821923|12.382151|36.858105| |4.839736|7.811016|12.307283|0.193821|6.011204|6.347272|8.751674|17.646339|0.500000| |3.998818|5.279860|10.253885|0.217198|5.464689|5.150179|7.470488|12.464463|0.246641|36.858105| |4.009120|5.049759|8.298017|0.192348|4.320169|3.909454|4.930389|7.567727|0.196007|13.143101|53.358707| |4.369513|5.012106|7.875071|0.206273|4.165068|3.522193|4.058781|5.773982|0.147540|7.812526|19.227615|36.858105| |5.229482|5.633070|9.319156|0.288322|4.917143|3.830886|4.168981|5.778266|0.139413|6.878977|11.575789|15.684165|73.516695| |3.517566|3.786711|5.445165|0.131408|3.134006|2.751325|3.093805|4.022728|0.109100|5.042529|10.653018|12.422154|13.985654|36.858105| |3.305851|3.650860|5.071772|0.116443|2.918410|2.642764|3.006542|3.903428|0.110909|4.781089|10.220911|8.925697|10.563910|17.612821|0.500000| |3.583877|3.559668|4.844806|0.116531|2.877660|2.481222|2.660489|3.339487|0.091197|3.814434|6.939300|7.433830|11.748569|12.394210|0.246205|36.858105| |2.817786|2.791892|3.777128|0.087280|2.338550|2.076293|2.220919|2.676958|0.073988|3.029550|5.241643|4.869533|7.760239|7.520147|0.189174|12.424769|36.858105| |4.266388|4.093430|5.107457|0.119295|2.976135|2.557275|2.680363|3.400046|0.096159|3.607578|6.349296|6.216992|10.483578|7.555518|0.194589|12.424196|7.600933|36.858105| |2.876997|3.077637|4.592627|0.108857|2.795811|2.504596|2.840632|3.494445|0.092487|4.543376|8.511747|7.928513|10.586814|13.110513|0.258551|7.669749|6.518884|4.984922|53.358707| |2.527547|2.770153|4.154827|0.094676|2.576256|2.393596|2.781393|3.332996|0.089295|4.417424|7.896539|5.977129|8.137428|7.746445|0.207659|5.139412|4.831673|3.877495|19.103123|36.858105| |2.559128|2.892220|4.306801|0.095514|2.631169|2.503058|2.982783|3.617639|0.099646|4.853274|8.933068|5.855826|7.714601|6.916675|0.217863|4.560295|4.201184|3.738374|11.619692|15.717789|73.516695| |2.149619|2.312356|3.468082|0.077957|2.240710|2.104875|2.408717|2.750179|0.073141|3.499158|5.609653|4.220552|6.343280|5.013193|0.132970|3.941688|3.974819|3.079612|10.635591|12.792820|14.329486|36.858105| |2.022569|2.118632|3.145234|0.071087|2.067655|1.919966|2.140204|2.412154|0.063921|2.955527|4.628618|3.662331|5.803226|4.385898|0.112270|3.808839|4.044507|2.938099|8.889582|7.484006|9.343130|13.591347|36.858105| |1.777028|1.851569|2.739536|0.061044|1.840718|1.728818|1.910530|2.099324|0.055707|2.510454|3.779924|2.921450|4.766276|3.331747|0.087164|3.007835|3.206175|2.432950|6.051752|5.006753|7.093535|7.865018|13.843986|36.858105| |1.661887|1.751937|2.600602|0.057126|1.761156|1.683214|1.876297|2.029488|0.054023|2.422859|3.566884|2.654953|4.314981|2.930084|0.078636|2.596785|2.708865|2.168776|5.111260|4.463104|6.788070|6.852262|7.988150|13.682758|36.858105| |1.730808|1.857362|2.774889|0.060530|1.864383|1.803383|2.049104|2.219033|0.059266|2.697162|3.965402|2.849058|4.526894|3.102095|0.084996|2.641860|2.692997|2.226535|5.400760|5.119491|8.158237|8.007421|6.941118|7.911233|13.642071|36.858105| |1.953210|2.125025|3.194560|0.070159|2.098777|2.021568|2.337709|2.594976|0.069383|3.266210|4.967685|3.511979|5.372615|3.883988|0.107411|3.128349|3.127595|2.589817|7.088936|7.769456|12.187901|13.715264|7.890387|6.782439|7.853387|13.818256|36.858105| |1.533886|1.649186|2.451881|0.052559|1.675981|1.651823|1.870260|1.972588|0.053005|2.332508|3.315358|2.334562|3.774419|2.463365|0.068445|2.143332|2.171171|1.870882|4.017747|3.605750|6.192848|4.681932|4.255596|4.879406|7.414726|10.880944|6.728278|388.023441| |1.430086|1.511489|2.232906|0.048129|1.540324|1.501688|1.666848|1.754924|0.046996|2.040873|2.905808|2.107645|3.476274|2.244664|0.061396|2.018362|2.080405|1.756090|3.656083|3.114425|5.142991|4.060668|4.180127|5.422451|8.721964|7.811926|4.994230|76.854996|36.858105| |1.489896|1.562091|2.306086|0.050193|1.584315|1.525236|1.683523|1.791201|0.047798|2.091533|3.017718|2.235181|3.697233|2.420006|0.065327|2.197013|2.292930|1.879966|4.027475|3.379364|5.367218|4.589191|5.178934|7.766072|13.853493|8.116795|5.240945|52.202437|14.944868|53.358707| |1.300859|1.369466|2.012504|0.043082|1.402095|1.374677|1.512990|1.574944|0.042290|1.799877|2.533192|1.834969|3.060005|1.933719|0.053039|1.764795|1.817118|1.560187|3.066794|2.547775|4.281501|3.145377|3.240674|4.011118|5.452768|5.041249|3.703591|49.765562|13.953521|11.169772|53.358707| |1.226907|1.279624|1.871122|0.040096|1.310730|1.279196|1.392223|1.447038|0.038842|1.635787|2.301667|1.687367|2.844556|1.780510|0.048567|1.654876|1.715151|1.468248|2.797506|2.264474|3.775193|2.744146|2.924580|3.638583|4.533730|3.941533|3.067339|33.502192|7.828962|9.122713|18.678437|36.858105| |1.138370|1.187268|1.730267|0.036845|1.219204|1.197476|1.298434|1.338682|0.036036|1.497315|2.090057|1.523723|2.579137|1.593883|0.043677|1.487220|1.534207|1.335934|2.462086|1.979795|3.351374|2.331350|2.435608|2.902066|3.477854|3.194854|2.596475|27.631572|5.405286|6.258354|11.714078|14.177526|36.858105| |1.142280|1.200254|1.751985|0.037116|1.234238|1.222363|1.333865|1.368601|0.036930|1.531582|2.125880|1.530423|2.577022|1.590148|0.043880|1.468278|1.503301|1.325748|2.444958|1.990606|3.423989|2.325349|2.355342|2.737017|3.339675|3.256950|2.658317|30.398764|5.379411|5.738476|11.708411|8.478578|13.236873|36.858105| |1.234645|1.305457|1.914857|0.040648|1.340454|1.327907|1.462946|1.507924|0.040650|1.707944|2.378428|1.701790|2.840285|1.772506|0.049009|1.614862|1.649580|1.447380|2.758835|2.290204|3.943298|2.729228|2.720034|3.185003|4.097974|4.132548|3.234421|43.252443|7.712565|7.148847|18.671955|8.463341|8.485040|14.180739|36.858105| |17.582470|8.949098|7.555320|0.148118|4.625369|3.763989|3.401146|4.114070|0.118395|3.440009|4.837267|3.839060|7.713325|3.272117|0.087637|3.419795|2.757583|4.267773|3.632371|2.362527|4.277144|2.017633|1.905324|1.681102|1.573709|1.635863|1.838641|10.355861|1.360877|1.927769|1.690504|1.173998|1.091868|1.095417|1.180970|0.500000| |17.600410|8.722702|9.030227|0.172503|6.491922|4.685591|3.854666|4.404981|0.117027|3.575264|4.683056|3.682498|7.842262|3.015498|0.078498|3.067017|2.484007|3.501305|3.487289|2.279259|4.077917|1.979186|1.877562|1.669807|1.568370|1.626506|1.814924|10.342163|1.363133|1.929116|1.697216|1.180263|1.098841|1.101964|1.186383|0.303249|0.500000| |17.581293|8.806655|9.445708|0.219200|5.478034|3.991646|3.681521|4.630417|0.122685|4.075241|5.793140|5.009975|11.472077|4.016518|0.101094|4.253370|3.217741|5.082739|4.391520|2.745682|4.838387|2.320570|2.203685|1.917372|1.770372|1.830065|2.071445|11.387105|1.501427|2.146948|1.849848|1.283889|1.185194|1.183714|1.281007|0.301853|0.300418|0.500000| |8.769347|17.613319|12.353224|0.181892|7.066870|6.408809|5.561729|6.830381|0.211102|4.599672|5.764982|4.017194|7.685575|3.185390|0.087284|2.991039|2.437940|3.399267|3.637703|2.471011|4.637829|2.098689|1.922395|1.701591|1.627311|1.730478|1.962634|11.088945|1.426455|1.991922|1.770733|1.215953|1.134537|1.151221|1.248708|0.209982|0.210384|0.172397|0.500000| |8.872249|17.634965|12.483409|0.223664|5.595347|4.760656|4.888719|7.295559|0.237671|5.561856|8.014585|5.756904|10.569221|4.370662|0.120864|4.026270|3.108187|4.806036|4.621752|3.049521|5.765402|2.482814|2.247785|1.942922|1.834578|1.956714|2.266660|12.262570|1.570370|2.210582|1.927123|1.318109|1.219795|1.234490|1.347614|0.218088|0.172700|0.210070|0.302158|0.500000| |5.019554|5.674591|12.366904|0.236952|17.612327|8.810970|6.974015|6.646937|0.139034|5.451673|5.794575|4.201934|9.064200|3.159050|0.079998|2.889641|2.354090|2.885575|3.947329|2.661866|4.743102|2.343959|2.177026|1.941595|1.853046|1.952562|2.189363|12.428966|1.613554|2.266838|1.995056|1.371285|1.271909|1.284243|1.395819|0.109038|0.147935|0.136825|0.142486|0.127871|0.500000| |7.018235|7.379294|12.178038|0.201743|17.687550|8.638213|5.680296|5.696139|0.135345|4.284755|4.983089|3.673004|7.778938|2.876225|0.074536|2.742068|2.246712|2.901763|3.474173|2.332000|4.199144|2.046903|1.916742|1.716460|1.634956|1.713501|1.910590|10.989147|1.434975|2.014384|1.787153|1.235545|1.152122|1.162149|1.255144|0.144901|0.242591|0.166337|0.198127|0.146131|0.301721|0.500000| |3.742276|4.468663|7.769625|0.130346|8.794671|17.613368|8.699245|5.634365|0.131721|4.265341|4.516095|3.040767|5.874513|2.443836|0.065019|2.225829|1.894229|2.265621|3.099242|2.192813|4.039052|1.968436|1.811134|1.650392|1.615381|1.723552|1.907284|11.344782|1.457892|2.009294|1.827635|1.253004|1.177451|1.202489|1.301453|0.088979|0.111245|0.094520|0.133404|0.104511|0.216477|0.197357|0.500000| |4.598471|6.070856|9.341196|0.141138|8.825101|17.566838|8.772428|6.629761|0.172322|4.402708|4.838171|3.217886|6.115332|2.579675|0.069982|2.359751|1.991587|2.490107|3.158453|2.222249|4.163483|1.953328|1.786216|1.612801|1.571530|1.681569|1.879438|11.012094|1.409987|1.945855|1.763926|1.208482|1.135059|1.159465|1.255794|0.110460|0.133659|0.108218|0.210473|0.135892|0.173397|0.214167|0.302621|0.500000| |3.471068|4.400471|8.578830|0.152818|6.819878|8.845033|17.552751|8.798139|0.176260|7.433806|6.475588|3.958304|7.244568|3.042372|0.080935|2.595199|2.184593|2.539155|3.938320|2.864723|5.391663|2.523731|2.239376|2.009239|1.984786|2.174102|2.471085|14.137771|1.767000|2.424102|2.179101|1.468720|1.367615|1.406670|1.547198|0.082877|0.094576|0.092661|0.120520|0.112664|0.194389|0.137933|0.219732|0.174136|0.500000| |3.457729|4.626045|7.850716|0.130128|5.715083|8.689001|17.610704|8.758041|0.224238|6.109565|5.954580|3.549975|6.251247|2.824828|0.078181|2.432761|2.072030|2.466228|3.554850|2.615299|5.082445|2.282801|2.017702|1.815459|1.802539|1.983697|2.254334|13.069410|1.625125|2.214179|2.017338|1.359887|1.274616|1.317500|1.444806|0.085428|0.092844|0.088336|0.138490|0.121234|0.139738|0.125487|0.194793|0.216837|0.302743|0.500000| |3.818556|4.702463|9.495773|0.219634|5.668525|5.057145|6.800102|8.864527|0.174307|17.550298|12.404241|7.251595|12.836180|4.773199|0.119056|3.720050|2.965392|3.404517|6.213466|4.342455|7.938022|3.572724|3.077559|2.624485|2.517320|2.767858|3.306851|16.914281|2.105799|2.957196|2.523660|1.690353|1.541971|1.569627|1.748842|0.089872|0.097720|0.111027|0.113442|0.130084|0.174368|0.122135|0.121551|0.115136|0.215234|0.147985|0.500000| |3.324053|4.271914|7.552165|0.151745|4.493041|4.640143|7.072790|9.017911|0.211577|17.607288|12.645296|5.835326|8.953359|4.337905|0.119490|3.311141|2.751831|3.121055|5.621246|4.322734|8.860166|3.513998|2.901705|2.500358|2.473260|2.821080|3.432111|17.660242|2.122526|2.915390|2.547726|1.683725|1.545784|1.597072|1.792196|0.081937|0.084233|0.092566|0.109620|0.125418|0.124471|0.100661|0.110838|0.112526|0.206077|0.180367|0.303255|0.500000| |3.371468|4.114629|6.371165|0.141045|3.565275|3.364239|4.232350|5.842345|0.161970|9.075392|25.869086|9.556191|10.959807|7.676155|0.233351|4.823180|3.875290|4.314172|9.070443|6.998132|16.450396|4.676125|3.663357|2.961631|2.828982|3.228398|4.193702|18.999177|2.290933|3.219485|2.694194|1.780128|1.611694|1.648025|1.859274|0.085741|0.081654|0.098336|0.100187|0.133305|0.097864|0.085810|0.081240|0.086540|0.115243|0.109858|0.191160|0.237700|0.500000| |3.671819|3.521929|4.919278|0.121602|2.990062|2.518574|2.654529|3.277088|0.086943|3.719964|6.380760|6.947788|12.840863|8.902519|0.174672|17.542336|8.861210|8.905558|9.375068|4.632812|7.117135|3.752557|3.762083|3.008181|2.569304|2.569730|2.986171|14.860047|1.995480|2.976689|2.382034|1.652328|1.483532|1.456597|1.595652|0.095076|0.088872|0.125214|0.081707|0.106103|0.085183|0.079716|0.063264|0.065792|0.072768|0.066469|0.105167|0.088604|0.118969|0.500000| |2.663593|2.694644|3.599528|0.081395|2.221222|2.009109|2.168348|2.611739|0.073635|2.943453|5.133602|4.496819|6.904278|6.865832|0.203280|8.758779|17.541625|6.823962|8.046016|4.822609|7.841355|3.920970|3.846300|3.085529|2.667203|2.697512|3.155660|15.587951|2.074919|3.079807|2.469153|1.702737|1.527989|1.506116|1.656417|0.073404|0.065079|0.082380|0.066244|0.084668|0.061423|0.059102|0.050820|0.053986|0.058878|0.056953|0.078232|0.075652|0.109173|0.172998|0.500000| |2.734457|2.629693|3.495404|0.080094|2.201129|1.948769|2.046287|2.429768|0.067254|2.670193|4.447439|4.044346|6.815978|5.487644|0.140642|8.828463|17.571604|7.063414|6.583608|3.802615|6.030161|3.289534|3.426006|2.837603|2.416368|2.371092|2.678496|13.897505|1.899796|2.845548|2.288075|1.604227|1.443531|1.408225|1.530987|0.075437|0.067503|0.086969|0.064211|0.080208|0.061391|0.059671|0.049652|0.052268|0.055727|0.053102|0.073062|0.067477|0.089842|0.211543|0.301860|0.500000| |2.544682|2.539845|3.527626|0.081520|2.224796|1.987248|2.136561|2.532057|0.069040|2.920087|4.948620|4.500269|7.214838|6.720852|0.163988|8.689207|17.591357|5.489918|9.766964|5.304368|7.678919|4.603096|4.987689|3.828395|3.104022|3.011625|3.476563|16.829164|2.299311|3.517824|2.703457|1.877437|1.661181|1.615761|1.778972|0.068339|0.063422|0.080138|0.062166|0.077152|0.063116|0.059033|0.050847|0.052523|0.059251|0.055382|0.080982|0.074613|0.103005|0.211891|0.302121|0.302909|0.500000| |5.620596|5.276368|6.307255|0.149947|3.522595|2.940705|3.043154|3.976724|0.112206|4.059973|7.022872|6.962413|12.759091|6.844675|0.172583|8.715410|5.493598|17.584769|6.230810|3.639468|6.362202|2.898412|2.730919|2.285972|2.064604|2.136216|2.481886|12.901459|1.693484|2.449390|2.055863|1.419352|1.296719|1.291629|1.409032|0.153321|0.120907|0.195263|0.115580|0.175959|0.093141|0.095850|0.071131|0.079630|0.078745|0.076572|0.105522|0.094517|0.125081|0.212317|0.139402|0.142989|0.122115|0.500000| |3.967779|3.606571|4.457162|0.102517|2.704325|2.326321|2.385415|2.925118|0.082280|3.038295|5.056542|4.718285|8.451678|5.497191|0.142171|8.813507|6.982151|17.576905|5.599312|3.288277|5.571636|2.734012|2.684407|2.268453|2.016050|2.039116|2.322172|12.303672|1.647493|2.407579|2.007588|1.400393|1.277699|1.261680|1.367999|0.113322|0.092828|0.131463|0.085084|0.112724|0.073126|0.074846|0.057990|0.063316|0.063041|0.061225|0.081231|0.074160|0.096390|0.213835|0.169277|0.214420|0.142521|0.303031|0.500000| |3.851875|3.863286|4.731197|0.106247|2.761677|2.446618|2.597113|3.284220|0.096027|3.464187|6.152702|5.490917|8.650376|6.828544|0.207968|8.764649|6.901771|17.529683|6.305783|3.821085|6.823031|3.016607|2.824951|2.353617|2.125942|2.206941|2.577516|13.284262|1.738081|2.513464|2.104786|1.449788|1.322863|1.318900|1.441727|0.110149|0.088355|0.119868|0.091772|0.130144|0.073447|0.074407|0.060148|0.067034|0.067807|0.067680|0.088324|0.085397|0.121356|0.173459|0.203191|0.174337|0.139843|0.300525|0.302257|0.500000| |2.757129|2.866390|4.293785|0.102591|2.688568|2.381760|2.645193|3.169853|0.082695|3.996770|6.882893|6.505056|9.948226|9.026657|0.182064|7.207643|6.451548|4.615741|26.099347|9.325345|10.881034|7.346711|7.341856|4.882267|3.904462|3.915084|4.857558|20.596164|2.726941|4.185194|3.113495|2.111685|1.846463|1.811972|2.033426|0.070813|0.069195|0.086929|0.069300|0.085704|0.078741|0.068891|0.060872|0.061052|0.075613|0.067132|0.116528|0.100600|0.141866|0.205651|0.150487|0.138019|0.217216|0.117796|0.110886|0.114917|0.500000| |2.122298|2.187186|3.217011|0.073579|2.104483|1.923939|2.115879|2.410036|0.063864|2.913578|4.635274|3.849513|6.194146|4.805978|0.118581|4.411231|4.860655|3.264459|9.789948|6.836771|8.545020|8.832611|17.731143|9.045072|5.687397|4.989063|5.618178|24.421058|3.442903|5.697740|3.801955|2.595298|2.197195|2.108593|2.382090|0.055616|0.054527|0.065098|0.054641|0.064505|0.061518|0.054640|0.050240|0.049830|0.060979|0.054996|0.084432|0.077531|0.099475|0.123310|0.122589|0.113299|0.179405|0.082769|0.083559|0.085539|0.254910|0.500000| |1.690509|1.738593|2.553622|0.056874|1.731310|1.619301|1.765029|1.927961|0.051184|2.261510|3.376917|2.645073|4.409373|3.001366|0.078084|2.821618|3.055293|2.303458|5.235659|4.067337|5.916322|5.601463|8.897054|17.750092|8.913498|5.636103|4.907520|28.816329|4.825808|9.548100|5.173762|3.653568|2.905321|2.658976|3.004053|0.044571|0.044354|0.050778|0.044452|0.050386|0.050768|0.045241|0.043124|0.042086|0.051402|0.046531|0.065874|0.062019|0.072287|0.079574|0.080715|0.076994|0.101854|0.059977|0.060658|0.061525|0.120001|0.216874|0.500000| |1.990877|2.204824|3.322186|0.072009|2.169837|2.123222|2.502187|2.774686|0.074839|3.528567|5.319853|3.569787|5.375292|3.827019|0.109252|3.015921|2.949051|2.562141|6.577466|7.269978|13.776287|8.929647|5.628156|4.908457|5.595688|8.871083|17.762108|43.933080|4.296478|5.769543|4.565528|2.774118|2.413606|2.526733|3.065551|0.052077|0.051263|0.058023|0.056946|0.065689|0.062351|0.054448|0.055418|0.054925|0.073378|0.067866|0.096771|0.106785|0.129146|0.078952|0.083961|0.070339|0.088182|0.068986|0.063265|0.071768|0.119785|0.123738|0.106814|0.500000| |1.249266|1.295444|1.892234|0.040754|1.323844|1.282469|1.389945|1.452291|0.038909|1.642891|2.325620|1.724441|2.917497|1.832849|0.049660|1.718372|1.793976|1.514544|2.897118|2.318057|3.805402|2.830925|3.123192|4.008209|4.822480|3.920761|3.072980|30.459016|7.067287|9.998413|12.164829|17.857340|8.645256|5.770314|5.855406|0.033200|0.033369|0.036483|0.034063|0.037058|0.038550|0.034748|0.034847|0.033629|0.040678|0.037520|0.047331|0.046579|0.049761|0.047894|0.049169|0.046735|0.055022|0.040513|0.040270|0.041358|0.061477|0.077598|0.116611|0.075765|0.500000| |1.080072|1.121199|1.628233|0.034639|1.151577|1.129943|1.217329|1.252517|0.033739|1.390473|1.938226|1.419058|2.415865|1.482375|0.040566|1.395915|1.442174|1.260174|2.270807|1.803761|3.053279|2.094870|2.203401|2.594801|2.998606|2.742164|2.288193|22.733347|4.219912|5.198431|7.978481|8.848952|17.796477|8.475471|5.812804|0.028829|0.029033|0.031221|0.029803|0.031924|0.033350|0.030350|0.030923|0.029812|0.035535|0.033182|0.039788|0.039702|0.041302|0.038786|0.039826|0.037945|0.043264|0.033990|0.033644|0.034625|0.047454|0.056074|0.073381|0.059318|0.197265|0.500000| 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