Version2.4 2021-06-06T16:47:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccc(cc1)n2c(nnc2SCC(=O)NNC(=C)c3ccc(cc3)Br)c4ccc(cc4)Cl C01898119 RHF 6-31G(d) (6D,7F) CCOc1ccc(cc1)n2c(nnc2SCC(=O)NNC(=C)c3ccc(cc3)Br)c4ccc(cc4)Cl C01[X(C26H23Br1Cl1N5O2S1)] 171 C1 609 CCOc1ccc(cc1)n1c(SCC(=O)NNC(=C)c2ccc(cc2)Br)nnc1c1ccc(cc1)Cl CCOc1ccc(cc1)n1c(SCC(=O)NNC(=C)c2ccc(cc2)Br)nnc1c1ccc(cc1)Cl CCOc1ccc(cc1)n2c(SCC(=O)NNC(=C)c3ccc(Br)cc3)nnc2c4ccc(Cl)cc4 InChIKey=SOBWSSSZOPQXQX-UHFFFAOYSA-N InChI=1S/C26H23BrClN5O2S/c1-3-35-23-14-12-22(13-15-23)33-25(19-6-10-21(28)11-7-19)31-32-26(33)36-16-24(34)30-29-17(2)18-4-8-20(27)9-5-18/h4-15,29H,2-3,16H2,1H3,(H,30,34) InChI=1/C26H23BrClN5O2S/c1-3-35-23-14-12-22(13-15-23)33-25(19-6-10-21(28)11-7-19)31-32-26(33)36-16-24(34)30-29-17(2)18-4-8-20(27)9-5-18/h4-15,29H,2-3,16H2,1H3,(H,30,34)/f/h30H CCOc1ccc(cc1)n2c(nnc2SCC(=O)NNC(=C)c3ccc(cc3)Br)c4ccc(cc4)Cl C01[X(C26H23Br1Cl1N5O2S1)] 171 C01 609 CCOc1ccc(cc1)n1c(SCC(=O)NNC(=C)c2ccc(cc2)Br)nnc1c1ccc(cc1)Cl CCO[C]1[CH][CH][C]([CH][CH]1)[N@@]1[C]([N][N][C]1[C]1[CH][CH][C]([CH][CH]1)Cl)SCC(=O)NNC(=C)[C]1[CH][CH][C]([CH][CH]1)Br CCO[C]1[CH][CH][C]([CH][CH]1)N2[C]([N][N][C]2[C]3[CH][CH][C](Cl)[CH][CH]3)SCC(=O)NNC(=C)[C]4[CH][CH][C](Br)[CH][CH]4 InChIKey=SOBWSSSZOPQXQX-UHFFFAOYSA-N InChI=1S/C26H23BrClN5O2S/c1-3-35-23-14-12-22(13-15-23)33-25(19-6-10-21(28)11-7-19)31-32-26(33)36-16-24(34)30-29-17(2)18-4-8-20(27)9-5-18/h4-15,29H,2-3,16H2,1H3,(H,30,34) InChI=1/C26H23BrClN5O2S/c1-3-35-23-14-12-22(13-15-23)33-25(19-6-10-21(28)11-7-19)31-32-26(33)36-16-24(34)30-29-17(2)18-4-8-20(27)9-5-18/h4-15,29H,2-3,16H2,1H3,(H,30,34)/f/h30H 4122.0781539041 -4846.7631378 1-A 50798.3649 149 460 609 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0.7561 0.5760 0.5048 0.6989 0.7754 0.1871 0.8562 0.6671 0.8568 0.7961 0.4219 0.8491 0.8209 0.8192 0.6403 0.4948 0.5763 0.8437 0.8369 0.3899 0.3058 0.4538 0.6009 0.8448 0.2497 0.1696 0.2527 0.4767 0.6367 0.8541 0.6955 0.5381 0.8571 0.6251 0.7938 0.8448 0.8571 0.8528 0.6483 0.6024 0.7305 0.6762 0.1837 0.4901 0.6104 0.2371 0.6633 0.6793 0.2835 0.8178 0.8374 0.2632 0.2436 0.3910 0.8571 0.6857 0.8463 0.0552 0.3866 0.2063 0.1492 0.8566 0.8566 0.7547 0.3546 0.8202 0.8571 0.8413 0.2551 0.3040 0.5510 0.6773 0.3833 0.8564 0.7481 0.8271 0.8564 0.5029 0.7561 0.4276 0.1480 0.2051 0.4707 0.2468 0.5784 0.3502 0.2264 0.7819 0.8571 0.8317 0.8125 0.4138 0.4830 0.8434 0.5069 0.5429 0.8214 0.4276 0.7395 0.4780 0.4184 0.6389 0.5361 0.6433 0.3717 0.2082 0.5504 0.0214 0.8561 0.0632 0.8473 0.8571 0.8563 0.2676 0.7460 0.7342 0.2394 0.8571 0.3489 0.8344 0.3392 0.5212 0.2668 0.3286 0.2115 0.4106 0.8136 0.2665 0.3386 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 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 8 6 6 6 6 6 6 7 6 7 7 6 16 6 6 8 7 7 6 6 6 6 6 6 6 6 35 6 6 6 6 6 6 17 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 11426.4577 90337.4356 99707.8919 0.99992 -0.01263 -0.00176 0.01262 0.99990 -0.00574 0.00184 0.00572 0.99998 1 0.00758 0.00096 0.00087 0.15794 0.01998 0.01810 10.60 13.63 16.42 29.33 42.59 45.60 55.97 67.41 70.62 86.65 94.61 108.08 113.53 126.81 145.43 154.57 169.87 182.64 203.00 247.60 255.25 260.42 305.04 322.88 360.11 379.81 394.30 401.41 434.44 455.86 469.50 478.52 529.03 550.45 562.45 592.61 652.06 657.79 660.48 666.21 669.45 678.43 680.01 718.93 750.71 777.92 792.97 833.81 846.45 857.14 925.01 958.68 969.98 994.59 998.66 1011.27 1034.85 1041.44 1105.37 1118.38 1134.32 1144.18 1158.00 1176.27 1181.66 1191.65 1221.81 1253.55 1282.70 1290.28 1294.63 1337.13 1359.62 1372.15 1375.38 1378.66 1382.72 1435.58 1460.72 1470.54 1518.87 1540.52 1553.76 1572.15 1579.01 1581.18 1582.07 1590.38 1595.94 1596.53 1602.72 1608.49 1629.24 1679.46 1689.73 1696.34 1719.05 1722.91 1725.04 1736.84 1738.84 1790.87 1794.68 1802.48 1830.28 1843.33 1853.68 1866.81 1870.38 1873.78 1880.12 1883.38 1983.52 2029.27 2053.54 2062.40 2082.35 2085.23 2089.97 2095.39 2127.63 2158.92 2220.88 2225.02 2227.92 2261.76 2269.12 2273.89 2286.01 2303.86 2343.60 2366.26 2397.59 2401.54 2406.50 2412.70 2419.12 2449.09 2466.90 2499.65 2528.36 2551.29 2556.61 2591.91 2610.63 2616.43 2698.68 2845.33 4615.96 4632.07 4675.53 4701.40 4727.87 4746.94 4774.85 4846.29 4867.34 4871.44 4875.58 4876.96 4887.42 4888.79 4899.02 4901.45 4903.50 4912.57 4915.10 4916.32 4964.24 5447.29 5570.02 0.484530 0.516377 0.517321 0.411730 -4846.278608 -4846.246761 -4846.245816 -4846.351408 3.541573D-04 MUNgauss RevisionA2.1 retrievium 06-Jun-2021 DUDE CCOc1ccc(cc1)n2c(nnc2SCC(=O)NNC(=C)c3ccc(cc3)Br)c4ccc(cc4)Cl C01898119 RHF 6-31G(d) (6D,10F) C1 583.044436 |X|Y|Z| 210.109571 76.655580 27.888722 76.584240 29 6 7 16 23 5 1 |36.858105| |12.577893|36.858105| |8.076680|13.516204|73.516695| |5.235361|7.974224|25.254209|36.858105| |4.093453|5.243749|14.613207|13.653639|36.858105| |3.203386|3.977934|9.437659|7.927323|13.848221|36.858105| |2.978458|3.783085|8.228085|6.857851|7.944946|13.695457|36.858105| |3.338261|4.499620|9.257993|7.938073|6.891825|7.954795|13.812339|36.858105| |4.398782|6.689069|14.013020|13.726573|7.920232|6.866458|7.925261|13.728822|36.858105| |2.436139|2.958056|6.108294|4.528611|5.144042|7.797091|13.333262|7.823497|5.133732|53.358707| |2.178393|2.594396|5.195412|3.664993|4.004819|5.400557|7.501414|5.807881|4.153756|18.849620|36.858105| |1.923954|2.244243|4.422711|3.013663|3.276567|4.225954|5.340142|4.397531|3.347971|11.914608|14.852609|53.358707| |1.927292|2.241990|4.443518|3.027293|3.334925|4.338303|5.361846|4.320454|3.318740|11.898014|8.879102|19.029314|53.358707| |2.188222|2.592089|5.256809|3.711480|4.189147|5.817480|7.641655|5.559046|4.076407|19.021666|8.859936|12.162600|20.225847|36.858105| |2.244559|2.628231|5.350260|3.687419|4.177940|5.369111|5.998459|4.790045|3.873918|9.452791|4.941112|6.727582|9.513869|10.831268|388.023441| |1.855191|2.111006|4.161396|2.732513|3.002576|3.621428|3.959696|3.406357|2.869375|6.478294|4.033346|6.164617|9.112771|7.131959|74.747797|36.858105| |1.779641|1.990104|3.886919|2.480778|2.695829|3.091005|3.230819|2.886887|2.551460|4.876672|3.085755|4.533838|5.947264|4.695250|49.776507|12.565285|36.858105| |1.892375|2.107340|4.130955|2.612141|2.837298|3.171090|3.221916|2.911346|2.640637|4.617722|2.860222|4.044434|5.093241|4.222707|47.147565|7.949578|15.941447|73.516695| |1.580592|1.745802|3.363578|2.111833|2.267890|2.558146|2.672784|2.432755|2.174992|4.048565|2.685283|4.024616|5.089713|3.753116|34.069451|7.920574|14.005812|15.085396|53.358707| |1.490705|1.623868|3.106258|1.914720|2.042526|2.246287|2.302079|2.127931|1.948993|3.383952|2.261689|3.321097|4.017101|2.994051|26.563816|5.142280|8.002641|12.445316|18.803820|53.358707| |1.454708|1.579324|2.978816|1.819126|1.903294|2.058656|2.127342|2.015372|1.866044|3.078443|2.067077|3.004040|3.557110|2.662428|23.205892|4.181509|5.911563|10.111169|10.904524|18.337574|36.858105| |1.469799|1.606190|3.000624|1.838141|1.895261|2.049830|2.160975|2.081027|1.916991|3.136159|2.115737|3.082455|3.640081|2.708738|23.203511|4.145974|5.437249|9.060330|9.255531|10.689457|14.406501|36.858105| |1.369968|1.467714|2.755575|1.657931|1.730493|1.840801|1.872815|1.784676|1.681279|2.664816|1.799619|2.582926|2.985470|2.244447|19.172537|3.232260|4.268155|7.799020|7.045039|10.748890|12.780703|7.710177|36.858105| |1.379314|1.468779|2.733928|1.628216|1.680611|1.760861|1.786844|1.726768|1.648783|2.499612|1.682760|2.383005|2.719189|2.068892|17.629968|2.825873|3.601533|6.878577|5.459666|7.207203|7.609882|6.244589|13.697207|36.858105| |1.292650|1.361939|2.525565|1.488614|1.534405|1.592424|1.602206|1.552305|1.496689|2.225683|1.508775|2.125262|2.390179|1.814680|15.163245|2.372724|2.909874|5.540142|4.328139|5.467293|5.039897|4.339691|7.889798|13.765880|36.858105| |1.213856|1.274572|2.372280|1.397560|1.450593|1.509816|1.511342|1.453513|1.398854|2.110788|1.441809|2.039232|2.283702|1.718734|14.167441|2.234034|2.704533|5.046202|4.092836|5.204779|4.465987|3.735526|6.864658|7.982554|13.783385|36.858105| |1.206399|1.272512|2.383815|1.414448|1.480503|1.557132|1.559781|1.485150|1.416508|2.203516|1.510621|2.156195|2.429567|1.811794|14.899444|2.412819|2.946196|5.363668|4.630466|6.137569|5.037003|3.969851|7.887745|6.878421|7.920186|13.783983|36.858105| |1.276407|1.358858|2.557482|1.533012|1.610879|1.713759|1.728872|1.636162|1.543871|2.468542|1.685345|2.426686|2.777374|2.064691|17.221563|2.894070|3.670869|6.550994|6.104279|8.988511|7.599878|5.274284|13.683744|7.959922|6.877187|7.981302|13.763806|36.858105| |1.115978|1.159676|2.147172|1.252118|1.294907|1.334665|1.328355|1.283725|1.246985|1.841589|1.266577|1.779927|1.963562|1.476409|11.941083|1.836763|2.145977|3.995906|3.163058|3.794724|3.090560|2.735665|4.076219|4.601485|6.693361|10.034950|6.693949|4.601306|2539.412838| |2.193674|2.605320|5.141140|3.552411|3.753073|4.689041|6.002562|5.277729|4.030813|10.169992|12.890593|10.654107|7.256642|5.296788|25.849619|3.072793|2.492845|4.188410|3.025190|2.618978|1.783714|1.826206|1.580632|1.492758|1.354120|1.298066|1.352446|1.490555|39.288502|36.858105| |1.966718|2.298302|4.389476|2.919426|2.982917|3.516481|4.313584|4.129363|3.328502|7.010035|7.741419|8.880362|6.148340|4.194478|21.684960|2.729345|2.250726|3.754503|2.797084|2.438397|1.677771|1.732491|1.490737|1.409436|1.282398|1.231435|1.282478|1.409565|37.413657|13.683470|36.858105| |1.904850|2.196170|4.129624|2.670364|2.684779|3.028213|3.526874|3.492803|2.992808|5.285356|5.088977|6.064959|4.640651|3.248471|17.952538|2.281500|1.938158|3.271019|2.434691|2.158586|1.496374|1.541579|1.345914|1.280681|1.174973|1.131216|1.173673|1.279026|34.677477|7.898099|13.786354|36.858105| |2.035394|2.338314|4.421098|2.832246|2.847937|3.138522|3.517883|3.485735|3.100889|4.970954|4.485082|5.145029|4.119364|2.996159|17.031695|2.123853|1.830015|3.130287|2.287440|2.046550|1.418099|1.450338|1.286032|1.229361|1.133572|1.092483|1.130141|1.225029|33.661645|6.875133|7.984660|13.769331|36.858105| |2.287223|2.659188|5.180911|3.388413|3.483247|3.873126|4.250105|4.078854|3.631640|5.765004|5.034371|5.409609|4.391975|3.316224|18.776449|2.267607|1.948275|3.360349|2.401772|2.145431|1.477412|1.500930|1.339980|1.281210|1.180269|1.136441|1.175303|1.274918|34.958447|7.902979|6.878233|7.917664|13.789942|36.858105| |2.394103|2.843278|5.715744|3.940212|4.214875|5.087876|5.893055|5.207854|4.279876|8.262221|7.558365|7.139386|5.606806|4.344810|23.186566|2.706613|2.267160|3.891772|2.748372|2.420099|1.651600|1.675905|1.482983|1.410363|1.289455|1.238345|1.284809|1.404346|37.770955|13.708021|7.950180|6.871574|7.978466|13.760667|36.858105| |1.876922|2.100460|3.882784|2.392365|2.372036|2.512994|2.714157|2.741937|2.563439|3.739511|3.180646|3.843289|3.231723|2.352625|14.000880|1.778500|1.567851|2.699580|1.983110|1.799245|1.255981|1.283138|1.151056|1.106281|1.028048|0.993508|1.024287|1.101636|30.879253|4.221209|4.774883|7.038808|10.935197|7.043893|4.772930|448.794386| |17.580958|8.865625|12.943275|4.889582|4.024921|3.146185|2.873389|3.141298|4.021668|3.222223|2.096178|2.544932|2.583686|2.163066|16.163724|1.879942|1.827032|3.494174|2.203262|2.091545|1.500769|1.508380|1.420649|1.436760|1.349452|1.264883|1.252829|1.322280|39.606360|2.075087|1.856704|1.783387|1.888588|2.116888|2.240514|13.932489|0.500000| |17.557551|8.882768|10.246673|4.239355|3.388217|2.774481|2.653294|3.003120|3.843137|3.020600|2.012154|2.441104|2.439256|2.010903|14.617655|1.728111|1.664306|3.134423|2.029044|1.921270|1.387797|1.409271|1.310980|1.325808|1.246229|1.168760|1.157547|1.220956|36.707772|2.036264|1.855911|1.811093|1.925551|2.126893|2.198451|14.442305|0.300452|0.500000| |17.579603|8.864430|12.944352|4.880753|4.011521|3.138124|2.868498|3.137371|4.019924|3.216770|2.138922|2.565165|2.546011|2.108798|15.162989|1.773797|1.694048|3.182018|2.057341|1.940308|1.383393|1.391542|1.305250|1.308030|1.229720|1.161913|1.158999|1.224254|36.473451|2.183753|1.955917|1.913947|2.075006|2.351082|2.427225|15.512047|0.300891|0.300467|0.500000| |8.845781|17.549790|16.525418|7.074781|4.772548|3.802385|3.753108|4.597499|6.777864|4.034388|2.661617|3.105774|3.043152|2.553210|17.823262|2.035186|1.896260|3.520245|2.280752|2.112482|1.509454|1.542304|1.398943|1.394576|1.293261|1.213876|1.215399|1.298782|37.626794|2.748806|2.445655|2.370653|2.553511|2.899999|3.036675|18.515383|0.173395|0.212571|0.212147|0.500000| |8.844919|17.552541|16.529136|7.103774|4.796385|3.817476|3.764590|4.610287|6.786905|4.045574|2.580746|3.070254|3.108365|2.651593|19.516856|2.200549|2.088916|3.958357|2.484899|2.312327|1.665984|1.706372|1.544101|1.554043|1.434906|1.332880|1.325073|1.417782|41.098879|2.541051|2.259537|2.135056|2.227834|2.491095|2.692873|15.986335|0.212191|0.212496|0.173377|0.300788|0.500000| |4.123599|4.866033|13.514639|8.947590|17.747165|8.910709|5.638885|4.964319|5.654460|5.663490|3.394363|3.911515|3.999007|3.575104|26.103905|2.749685|2.530868|4.781929|2.928027|2.675648|1.827916|1.800675|1.682380|1.637887|1.507636|1.432163|1.460106|1.577773|43.788893|3.221460|2.625765|2.407290|2.573857|3.119258|3.638807|17.651700|0.116213|0.093343|0.115672|0.120072|0.120710|0.500000| |2.809456|3.324305|7.617792|5.638453|8.947008|17.725962|8.911221|5.658389|4.949284|9.759591|5.239766|5.835666|6.098284|5.873535|38.775842|3.779341|3.211126|5.807194|3.620172|3.171202|2.097296|2.058543|1.877713|1.778360|1.610738|1.539556|1.600531|1.764764|46.264284|4.446631|3.361105|2.894704|2.989477|3.664228|4.777995|19.351813|0.077722|0.068276|0.077507|0.088289|0.088623|0.214196|0.500000| |2.976661|3.896062|7.455511|5.648813|4.962768|5.655634|8.956578|17.729945|8.923886|9.791857|5.946636|6.283860|6.044052|5.418250|31.966544|3.375882|2.836652|4.994702|3.299594|2.872273|2.017742|2.115278|1.775602|1.717296|1.539121|1.438171|1.469361|1.622425|43.155992|5.450821|4.509752|3.743272|3.583717|3.986865|4.953610|22.510215|0.077596|0.076578|0.077521|0.113317|0.113554|0.107733|0.124418|0.500000| |4.667809|7.398568|12.482455|8.864005|5.625556|4.953336|5.660745|8.962717|17.774959|5.687309|3.580231|4.052308|3.994075|3.471989|23.702252|2.583949|2.334991|4.293772|2.751095|2.488446|1.774134|1.838187|1.607020|1.588640|1.447244|1.348551|1.357818|1.473059|41.095338|3.564821|3.090834|2.846147|2.937107|3.324579|3.730432|20.020868|0.114712|0.117811|0.114823|0.226063|0.225186|0.124064|0.107543|0.216866|0.500000| |1.758319|1.984369|3.930323|2.567430|2.869052|3.493670|3.734710|3.142641|2.658671|6.278160|4.089268|6.492253|9.654849|6.782435|56.407176|17.611047|8.868819|10.954610|9.626081|6.525448|3.777299|3.635429|3.011228|2.604221|2.227889|2.141277|2.345120|2.796168|60.502577|3.114284|2.766490|2.310894|2.150028|2.295307|2.740930|14.436497|0.049370|0.045451|0.047172|0.053433|0.056700|0.073922|0.104890|0.085901|0.066345|0.500000| |1.791412|2.045013|3.963984|2.596043|2.775029|3.306587|3.760339|3.357989|2.798831|6.263321|4.078981|6.459374|9.551512|6.740766|56.322127|17.619401|8.878650|10.925040|9.694131|6.448699|4.093028|4.320638|3.124280|2.748698|2.302705|2.157434|2.318720|2.775990|60.514776|3.113926|2.838739|2.354712|2.152955|2.259379|2.677499|14.460540|0.050053|0.046742|0.047473|0.055319|0.059532|0.069977|0.093275|0.095922|0.071162|0.303777|0.500000| |1.507440|1.664402|3.203657|2.014748|2.167565|2.465303|2.593970|2.348599|2.083147|4.018285|2.735254|4.207106|5.327839|3.740908|31.494821|7.502497|9.297323|10.882074|26.059424|12.887353|6.290564|5.672977|4.427311|3.473263|2.847189|2.755509|3.153906|4.076421|74.017061|2.260844|2.109054|1.830255|1.706875|1.780451|2.034659|11.865418|0.042636|0.039551|0.040255|0.044711|0.048049|0.057061|0.071667|0.065450|0.053802|0.211507|0.199993|0.500000| |1.527770|1.655931|3.187792|1.955967|2.104864|2.299929|2.311891|2.123213|1.963449|3.348631|2.214662|3.205676|3.851066|2.930406|26.547384|4.831765|7.552207|13.504910|13.200736|25.923111|9.463791|6.018025|7.490420|5.297383|4.136795|3.981133|4.683980|6.616594|98.841274|1.891733|1.746081|1.551867|1.484058|1.567223|1.768350|10.491424|0.044014|0.040027|0.040621|0.043689|0.048003|0.056825|0.066771|0.057750|0.050930|0.126807|0.118043|0.198215|0.500000| |1.414321|1.536731|2.842076|1.724671|1.759353|1.879601|1.979774|1.933629|1.801051|2.839831|1.929934|2.787884|3.223735|2.400150|20.092346|3.406169|4.209601|7.288560|6.693996|7.655732|9.159386|17.761877|7.083987|6.646762|4.648092|3.857039|3.919040|4.916743|96.629428|1.690182|1.615517|1.450068|1.366855|1.408466|1.559043|9.783812|0.040324|0.037898|0.037131|0.041035|0.045478|0.046545|0.052080|0.054809|0.048455|0.084238|0.099139|0.120246|0.130639|0.500000| |1.524051|1.682684|3.148119|1.950695|2.008490|2.199787|2.361538|2.273321|2.060760|3.483047|2.350074|3.463807|4.158091|3.065217|26.147994|4.878118|6.143794|9.519999|10.248919|9.550810|9.071627|17.769356|5.508097|4.664361|3.500830|3.097921|3.297270|4.214611|80.796321|2.002387|1.901821|1.675119|1.562733|1.613603|1.813868|11.009181|0.043200|0.040542|0.040053|0.045082|0.049725|0.052438|0.061099|0.064858|0.054770|0.115051|0.149665|0.178418|0.149731|0.288542|0.500000| |1.453468|1.553521|2.877676|1.714222|1.753988|1.830624|1.869259|1.823986|1.745917|2.597426|1.737317|2.446568|2.794153|2.145484|18.450687|2.905714|3.687122|7.184732|5.375487|6.658931|7.049122|6.660701|8.919245|17.740079|8.950943|5.672743|4.956838|5.656198|130.319216|1.539543|1.452332|1.317772|1.264197|1.318039|1.452910|9.116792|0.042091|0.038879|0.038059|0.040883|0.046015|0.047230|0.050871|0.050542|0.046926|0.072855|0.079220|0.093910|0.133944|0.208239|0.139407|0.500000| |1.287124|1.349219|2.486027|1.454903|1.488857|1.531416|1.539150|1.503519|1.461628|2.119472|1.436750|2.009930|2.242934|1.710529|14.211171|2.174186|2.613119|5.015698|3.784752|4.576010|4.105292|3.746691|5.624562|8.909321|17.753720|8.924132|5.642793|4.957071|219.797500|1.297908|1.230833|1.132587|1.095722|1.140422|1.241036|8.008295|0.037409|0.034599|0.033935|0.035535|0.039589|0.040699|0.042785|0.041414|0.039475|0.056547|0.058847|0.069610|0.096113|0.113661|0.086590|0.215471|0.500000| |1.146094|1.204844|2.258717|1.337499|1.403750|1.476134|1.473480|1.399266|1.335594|2.085011|1.439097|2.056293|2.300653|1.705543|13.824412|2.228478|2.658472|4.784742|4.155188|5.302801|4.102299|3.342249|5.622889|4.957590|5.642932|8.925286|17.752760|8.907990|219.861135|1.294904|1.230680|1.130285|1.089966|1.132152|1.233285|7.957707|0.033015|0.030551|0.030711|0.032039|0.034685|0.038593|0.042322|0.038414|0.035547|0.061093|0.059448|0.080565|0.112557|0.091110|0.079773|0.107637|0.124226|0.500000| |1.257918|1.342687|2.538174|1.529238|1.617609|1.736539|1.753527|1.645141|1.540856|2.532694|1.740315|2.530101|2.906110|2.133780|17.606049|3.035681|3.811423|6.537781|6.624381|9.796853|7.030060|4.952410|8.907237|5.654535|4.955985|5.673159|8.954223|17.739930|130.344537|1.533641|1.451443|1.313621|1.254790|1.304568|1.439581|9.038592|0.036072|0.033356|0.033642|0.035770|0.038738|0.043977|0.050041|0.045330|0.040670|0.083348|0.080647|0.127811|0.193642|0.123128|0.115341|0.124234|0.107624|0.215572|0.500000| |1.837539|2.135006|4.042545|2.668400|2.718452|3.199950|3.939116|3.793513|3.052791|6.641192|7.224636|9.790730|6.639798|4.268394|21.958808|2.861862|2.337717|3.844640|2.933768|2.538620|1.749974|1.821245|1.543648|1.453152|1.316858|1.263905|1.319817|1.457135|38.245530|8.931541|17.754804|8.939740|5.668972|4.957686|5.658399|31.614978|0.048539|0.048447|0.050374|0.062515|0.059108|0.066842|0.085650|0.118134|0.079630|0.080563|0.084719|0.061988|0.050018|0.047118|0.056001|0.041595|0.035022|0.035144|0.041785|0.500000| |1.751059|1.995538|3.698696|2.350408|2.343579|2.601569|2.990346|3.002935|2.624502|4.464052|4.143439|5.247280|4.140833|2.857536|16.195480|2.106994|1.808931|3.046145|2.299810|2.050089|1.429527|1.478212|1.289361|1.228179|1.129537|1.088876|1.129157|1.227710|33.474050|5.626165|8.912748|17.751032|8.921635|5.642395|4.953904|53.784082|0.045640|0.046675|0.048778|0.059737|0.054231|0.059017|0.069440|0.090265|0.070585|0.059247|0.060936|0.048190|0.040784|0.038812|0.044570|0.035074|0.030274|0.030252|0.035029|0.214857|0.500000| |2.377973|2.725610|5.323658|3.389466|3.483101|3.708120|3.847619|3.719674|3.494749|4.995300|4.091985|4.533161|3.838492|2.940359|17.300732|2.087886|1.823660|3.176827|2.251441|2.030392|1.400631|1.416270|1.280197|1.228995|1.137899|1.097191|1.131791|1.221368|33.925834|5.629971|4.957413|5.641803|8.929058|17.751347|8.908626|53.826434|0.060753|0.061194|0.069125|0.083034|0.069558|0.088720|0.097857|0.098312|0.089349|0.058658|0.057266|0.046158|0.041432|0.037029|0.041998|0.035084|0.030619|0.030336|0.034640|0.107650|0.124232|0.500000| 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