Version2.0 2020-01-22T04:06:14Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCn1c(c(c(=O)[nH]c1=O)N(CC)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)c3c(noc3C)C)N C12700428 RHF 6-31G(d) (6D,7F) CCCCn1c(c(c(=O)[nH]c1=O)N(CC)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)c3c(noc3C)C)N C01[X(C22H36N7O6S1)] 210 C1 616 CCCCn1c(=O)[nH]c(=O)c(c1N)N(C(=O)C[NH+]1CCCN(CC1)S(=O)(=O)c1c(C)noc1C)CC CCCCn1c(=O)[nH]c(=O)c(c1N)N(C(=O)C[NH+]1CCCN(CC1)S(=O)(=O)c1c(C)noc1C)CC CCCCN1C(=O)NC(=O)C(=C1N)N(CC)C(=O)C[NH+]2CCCN(CC2)[S](=O)(=O)c3c(C)onc3C InChIKey=CQXZUAMPVLKGIB-UHFFFAOYSA-O InChI=1S/C22H35N7O6S/c1-5-7-11-29-20(23)18(21(31)24-22(29)32)28(6-2)17(30)14-26-9-8-10-27(13-12-26)36(33,34)19-15(3)25-35-16(19)4/h5-14,23H2,1-4H3,(H,24,31,32)/p+1 InChI=1/C22H35N7O6S/c1-5-7-11-29-20(23)18(21(31)24-22(29)32)28(6-2)17(30)14-26-9-8-10-27(13-12-26)36(33,34)19-15(3)25-35-16(19)4/h5-14,23H2,1-4H3,(H,24,31,32)/p+1/fC22H36N7O6S/h24,26H/q+1 CCCCn1c(c(c(=O)[nH]c1=O)N(CC)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)c3c(noc3C)C)N C01[X(C22H36N7O6S1)] 210 C01 616 CCCCn1c(=O)[nH]c(=O)c(c1N)N(C(=O)C[NH+]1CCCN(CC1)S(=O)(=O)c1c(C)noc1C)CC CCCCN1C(=O)NC(=O)[C@H]([C@@H]1N)N(C(=O)C[NH]1CCCN(CC1)S(=O)(=O)[C@@H]1[C@H](C)ON=C1C)CC CCCCN1[C@@H](N)[C@H](N(CC)C(=O)C[NH]2CCCN(CC2)[S](=O)(=O)[C@@H]3[C@H](C)ON=C3C)C(=O)NC1=O InChIKey=GXPSTSQCTQSDTO-FRYIKTPZSA-N InChI=1S/C22H40N7O6S/c1-5-7-11-29-20(23)18(21(31)24-22(29)32)28(6-2)17(30)14-26-9-8-10-27(13-12-26)36(33,34)19-15(3)25-35-16(19)4/h16,18-20,26H,5-14,23H2,1-4H3,(H,24,31,32)/t16-,18-,19-,20+/m0/s1 InChI=1/C22H40N7O6S/c1-5-7-11-29-20(23)18(21(31)24-22(29)32)28(6-2)17(30)14-26-9-8-10-27(13-12-26)36(33,34)19-15(3)25-35-16(19)4/h16,18-20,26H,5-14,23H2,1-4H3,(H,24,31,32)/t16-,18-,19-,20+/m0/s1/f/h24H 4494.8071095686 -2081.619867 1-A 23901.9127 140 476 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.31634 -20.75101 -20.67579 -20.65460 -20.65422 -20.62833 -20.62308 -15.84308 -15.72769 -15.72738 -15.72038 -15.71066 -15.70783 -15.70292 -11.50177 -11.49249 -11.46936 -11.45599 -11.45046 -11.44063 -11.43968 -11.43910 -11.40392 -11.40110 -11.38917 -11.38533 -11.37773 -11.36378 -11.35466 -11.35240 -11.32820 -11.32239 -11.31878 -11.31053 -11.29822 -11.27958 -9.28709 -6.97350 -6.97315 -6.97219 -1.61868 -1.58333 -1.55274 -1.52960 -1.49061 -1.48195 -1.45674 -1.43161 -1.38617 -1.37557 -1.35134 -1.31875 -1.29178 -1.22849 -1.21196 -1.19630 -1.17484 -1.15388 -1.13940 -1.11858 -1.09664 -1.09149 -1.07520 -1.07327 -1.03502 -1.00805 -1.00529 -0.99331 -0.98689 -0.96059 -0.95260 -0.91426 -0.89954 -0.89592 -0.88593 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901.88 918.51 929.53 952.76 1003.11 1012.61 1021.25 1047.71 1084.78 1099.98 1123.41 1137.95 1142.99 1145.71 1183.97 1218.22 1228.00 1246.22 1248.82 1259.66 1291.47 1330.49 1385.18 1403.76 1412.24 1417.53 1430.68 1471.88 1491.41 1499.24 1511.27 1545.75 1569.16 1597.99 1626.60 1630.44 1636.81 1662.49 1664.73 1668.02 1676.95 1680.20 1691.00 1695.20 1717.46 1744.30 1746.47 1756.88 1769.87 1774.68 1798.83 1815.04 1883.17 1885.25 1900.35 1902.34 1945.78 1973.64 1986.30 2007.83 2015.92 2021.48 2030.26 2044.18 2052.36 2055.56 2081.99 2093.38 2112.63 2120.34 2126.62 2133.72 2184.28 2185.91 2193.24 2206.45 2215.35 2219.95 2232.21 2244.94 2251.07 2252.06 2255.98 2260.15 2266.93 2270.10 2272.31 2274.32 2310.54 2324.20 2327.92 2333.17 2334.87 2338.28 2341.82 2344.50 2351.03 2353.28 2360.81 2363.72 2365.56 2368.94 2371.82 2380.15 2382.80 2391.42 2395.49 2402.54 2411.28 2468.59 2566.91 2618.29 2656.12 2753.98 2794.76 2872.05 4577.35 4590.02 4611.22 4637.17 4642.58 4643.44 4650.18 4651.32 4654.02 4658.10 4677.72 4686.29 4703.62 4706.16 4718.78 4720.49 4723.01 4726.08 4736.35 4739.33 4744.99 4748.46 4752.85 4778.08 4794.49 4796.04 4796.15 4824.23 4830.29 4832.31 4852.52 4855.04 5258.21 5526.87 5532.82 5683.02 0.654135 0.689276 0.690220 0.582430 -2080.965732 -2080.930591 -2080.929646 -2081.037437 3.615328D-04 MUNgauss RevisionA2.0 retrievium 22-Jan-2020 DUDE CCCCn1c(c(c(=O)[nH]c1=O)N(CC)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)c3c(noc3C)C)N C12700428 RHF 6-31G(d) (6D,10F) C1 526.244779 |X|Y|Z| 49.327273 65.805689 130.912813 75.181485 22 6 7 8 16 14 6 1 1 |36.858105| |12.468123|36.858105| |7.487888|12.446943|36.858105| |4.885115|7.523979|12.473287|36.858105| |3.770207|4.935461|7.591457|12.886678|53.358707| |3.275002|4.042508|5.669390|7.619387|18.925051|36.858105| |2.700005|3.169990|4.151121|5.085820|10.910986|13.980179|36.858105| |2.505520|2.893987|3.722813|4.449857|9.243256|7.818092|13.233502|36.858105| |2.180541|2.453996|3.032599|3.474569|6.469772|5.361082|8.126400|15.828342|73.516695| |2.751231|3.232678|4.244347|5.188643|11.099267|7.057572|8.064309|13.834328|15.048369|53.358707| |2.536116|2.914021|3.675338|4.290066|8.035728|5.152099|5.819373|9.338563|13.734011|25.957223|0.500000| |3.341795|4.140901|5.808950|7.827295|18.628996|7.911110|6.815591|7.755700|9.588570|18.969210|0.263196|36.858105| |3.480712|4.303182|5.703793|7.079233|11.463459|5.445496|4.779224|5.397958|7.540593|11.570737|0.217402|15.995552|73.516695| |2.365469|2.692571|3.341413|3.855725|7.015250|7.798220|13.368270|7.815042|12.187475|7.091528|0.118531|4.515113|6.260027|53.358707| |2.117707|2.416620|2.873201|3.372995|5.730618|5.751664|7.694083|5.666425|9.546382|5.703793|0.099670|3.742766|5.418264|17.593704|36.858105| |1.919243|2.184959|2.557437|3.024030|5.096834|4.607043|6.099693|5.570025|10.312322|5.702244|0.103744|3.584712|5.299924|10.235303|12.488146|36.858105| |2.230348|2.457680|3.014461|3.275414|5.704998|5.648879|8.122743|6.461372|11.528339|6.162208|0.108371|3.870011|5.570438|19.225233|7.663044|5.619629|36.858105| |2.359565|2.555714|3.180723|3.315952|5.750368|5.396536|7.060592|6.194802|10.840304|6.297464|0.112009|3.983688|5.785161|11.475392|5.281799|4.270241|15.849406|73.516695| |1.901739|2.062061|2.432887|2.612965|4.306794|3.960874|5.117744|4.565879|8.892517|4.702987|0.087032|2.996921|4.507081|10.464314|6.584172|5.345053|12.423451|14.487714|36.858105| |1.807368|1.917477|2.241747|2.332474|3.761519|3.294548|4.026324|3.834308|7.570813|4.171967|0.079432|2.678868|4.127395|7.013029|4.372502|3.849889|7.814388|13.291807|12.769227|53.358707| |1.886694|1.998548|2.364380|2.445618|4.000679|3.459608|4.285002|4.261361|8.590570|4.616008|0.088456|2.906523|4.462735|7.048933|4.150844|3.733131|8.035537|16.171302|9.462990|25.623745|0.500000| |1.585343|1.673767|1.919188|2.001200|3.166551|2.683874|3.207528|3.178541|6.432015|3.571541|0.069794|2.297956|3.616117|5.317934|3.624960|3.444547|5.086166|8.541804|7.651301|17.208426|0.255461|36.858105| |1.504044|1.567010|1.783331|1.829245|2.856893|2.351722|2.736564|2.789043|5.614174|3.251733|0.064794|2.106806|3.375109|4.271504|2.872132|2.776798|3.936672|7.159277|4.965625|10.218851|0.200521|12.477192|36.858105| |1.527470|1.569531|1.778028|1.787603|2.752761|2.251548|2.546603|2.548972|4.950467|3.037128|0.060251|2.011027|3.245603|3.906478|2.580177|2.423755|3.587636|6.852198|4.226289|8.560969|0.173234|7.320811|12.470428|36.858105| |1.711953|1.752103|2.011636|1.996950|3.098787|2.542312|2.868750|2.859971|5.470504|3.406696|0.067062|2.258196|3.621186|4.341700|2.739468|2.513603|4.117623|8.500639|4.498634|9.261646|0.212345|6.133579|7.752350|12.976892|53.358707| |1.860360|1.905497|2.199912|2.171081|3.362244|2.826932|3.151170|2.990951|5.529539|3.526161|0.067791|2.378570|3.770325|4.899397|3.030706|2.657986|4.773740|10.036904|5.108747|10.257784|0.214471|5.672752|5.717689|7.643649|17.715504|36.858105| |1.836861|1.917949|2.219558|2.250145|3.526780|3.068407|3.520814|3.231925|6.020889|3.674160|0.069644|2.455896|3.832147|5.918485|3.718844|3.163938|6.078900|11.337672|7.661178|17.188839|0.260327|7.626532|6.063152|6.565659|10.494361|12.483338|36.858105| |1.695877|1.705445|1.940631|1.887383|2.879579|2.289445|2.508626|2.546728|4.790326|3.158403|0.063126|2.126573|3.481119|3.617594|2.293883|2.134270|3.247543|6.790159|3.314059|5.915498|0.136862|4.048898|5.018361|7.142827|15.442937|7.232165|4.763738|388.023441| |1.912204|1.904047|2.186448|2.083120|3.169743|2.505443|2.693821|2.708306|4.952969|3.405963|0.067487|2.327182|3.809294|3.796356|2.349206|2.149342|3.386561|7.402675|3.250539|5.513393|0.129607|3.518360|3.956066|5.008783|10.506705|6.922489|4.538062|95.015329|73.516695| |1.540041|1.538046|1.719862|1.670281|2.504844|1.980374|2.138933|2.150379|4.018341|2.694089|0.053950|1.838881|3.040869|3.095353|2.018489|1.887999|2.702335|5.421106|2.821132|4.877945|0.106049|3.523995|4.401282|6.485637|10.250915|5.627377|4.031547|94.791704|13.668801|73.516695| |1.612666|1.632319|1.857281|1.826600|2.806005|2.190903|2.430002|2.572098|4.970446|3.226733|0.066109|2.131970|3.522555|3.428962|2.194564|2.109334|3.012972|6.183939|3.060179|5.269846|0.125424|3.818041|4.921542|5.844096|9.696081|4.824421|3.779816|78.279736|13.096411|13.182146|36.858105| |1.700812|1.735408|1.997320|1.976956|3.081921|2.377081|2.667932|2.932850|5.765702|3.711115|0.077432|2.400603|3.968460|3.666597|2.315148|2.257824|3.193082|6.633786|3.127661|5.174227|0.128086|3.656543|4.403805|4.593208|7.540190|4.188056|3.499493|47.652289|10.614898|8.585446|13.207913|36.858105| |1.567990|1.600533|1.820742|1.813331|2.801150|2.130565|2.376804|2.644702|5.234076|3.406713|0.072422|2.207272|3.704242|3.240455|2.096798|2.089684|2.737316|5.477246|2.713683|4.336742|0.103206|3.197964|3.842815|3.844090|5.740555|3.321431|2.907143|34.766011|7.738358|7.104077|8.552753|14.906587|53.358707| |1.436045|1.456860|1.636027|1.624606|2.474531|1.890674|2.087397|2.266723|4.434237|2.912749|0.061263|1.919605|3.233519|2.891260|1.904860|1.892957|2.432932|4.781524|2.477839|4.000223|0.091907|3.053281|3.820444|3.967308|5.588447|3.171629|2.756387|35.162100|7.287633|7.838523|8.813570|8.949700|18.868715|73.516695| |1.455247|1.469983|1.650261|1.628856|2.473914|1.912464|2.104830|2.235475|4.327033|2.839825|0.058763|1.887700|3.156934|2.960885|1.943012|1.898118|2.532134|5.018359|2.611643|4.352841|0.099325|3.317718|4.319299|4.909222|6.953800|3.729737|3.102982|48.551161|8.937735|11.116289|14.005107|8.614417|11.727733|25.913348|36.858105| |1.327290|1.334276|1.478849|1.457631|2.184749|1.687851|1.836551|1.921140|3.679312|2.450989|0.050504|1.651478|2.777588|2.600492|1.738534|1.698347|2.192180|4.253447|2.295135|3.768859|0.082660|2.939493|3.795662|4.421522|5.782424|3.258138|2.761053|38.469316|7.255089|10.844053|7.213149|5.150503|7.217587|14.254306|12.775897|36.858105| |1.939625|1.996855|2.354472|2.331116|3.723248|2.863499|3.253508|3.678923|7.205408|4.655928|0.097117|2.947413|4.803101|4.336194|2.634074|2.544704|3.803028|8.320472|3.485288|5.558991|0.144161|3.645103|4.005175|4.033135|6.955105|4.293406|3.677467|39.317121|10.397710|7.069172|7.164703|12.729755|10.746426|9.499977|5.174679|3.696734|36.858105| |3.393641|4.173861|5.520763|6.807190|11.119978|14.052406|8.032829|5.165026|7.191777|6.396219|0.104755|5.259179|7.374849|9.147119|5.493376|4.125643|5.090954|8.492549|3.774129|4.273455|0.088693|2.560084|2.233002|2.171379|3.317024|2.782857|3.057713|15.552626|4.257244|3.416784|2.043806|2.161981|2.636578|3.111132|1.792207|1.604119|2.534459|53.358707| |17.551973|8.781181|6.791204|4.516868|4.974310|3.130234|2.636970|2.510816|3.906553|3.814017|0.072803|3.391286|6.448440|3.124722|2.038449|1.867497|2.191509|4.174201|1.869422|2.443834|0.052523|1.579461|1.511758|1.538089|2.356098|1.862259|1.816991|12.343445|3.499672|2.792864|1.664074|1.767529|2.222533|2.646722|1.502024|1.364748|2.025156|4.254955|0.500000| |17.569913|8.794352|5.465728|4.059516|4.349082|2.824286|2.374566|2.216613|3.475403|3.288314|0.062553|2.879066|5.365294|2.877262|1.927876|1.762413|1.994676|3.713278|1.729336|2.240631|0.047444|1.459349|1.387923|1.409058|2.129489|1.692051|1.674731|11.038124|3.082551|2.530261|1.479576|1.552381|1.962176|2.363537|1.346240|1.236882|1.748284|4.011726|0.301880|0.500000| |17.538286|8.768271|6.775857|4.503304|4.955693|3.303946|2.731559|2.491314|3.870789|3.633268|0.067904|3.166609|5.666606|3.313812|2.163091|1.931197|2.321459|4.398044|1.978252|2.571164|0.054623|1.645020|1.559620|1.597714|2.452169|1.982464|1.948495|12.688918|3.607385|2.883388|1.672294|1.747735|2.175546|2.611877|1.501187|1.371206|1.988932|4.801231|0.301514|0.301853|0.500000| |8.857665|17.503090|8.834890|6.901801|6.254295|3.969877|3.096048|2.756138|4.176816|4.071751|0.074498|3.730816|6.660171|3.655732|2.458598|2.201564|2.423547|4.402249|2.050635|2.570822|0.054074|1.651151|1.534478|1.534612|2.315252|1.862939|1.898030|11.660978|3.228933|2.645436|1.559579|1.644087|2.064791|2.470938|1.407974|1.285231|1.873941|5.919980|0.172988|0.213190|0.210485|0.500000| |8.864017|17.530338|8.868303|6.943373|6.290312|3.680335|2.961410|2.782652|4.221992|4.329288|0.081066|4.110880|8.029740|3.408357|2.281075|2.109008|2.278240|4.180676|1.931306|2.445028|0.052064|1.585691|1.489526|1.482367|2.235244|1.763474|1.777207|11.397677|3.153034|2.576490|1.553541|1.661038|2.105251|2.500987|1.409149|1.280370|1.904695|4.981007|0.211049|0.213157|0.172937|0.303830|0.500000| |6.855917|8.837718|17.564122|8.924111|9.510497|5.108849|3.995094|3.798697|5.539440|6.159357|0.111459|6.261338|11.754595|4.340726|2.708919|2.459928|2.950148|5.664483|2.384618|3.041228|0.066398|1.920011|1.805728|1.803387|2.795099|2.215141|2.197782|14.294920|4.058214|3.146130|1.946284|2.119625|2.632884|3.062484|1.726517|1.536477|2.530479|6.287943|0.203439|0.140324|0.168431|0.173392|0.212110|0.500000| |6.880380|8.836377|17.487482|8.803107|9.377943|5.981452|4.346500|3.733174|5.440651|5.479007|0.096018|5.116405|8.366811|4.891655|3.020087|2.608466|3.292111|6.269791|2.623237|3.298502|0.070839|2.041722|1.889778|1.902781|2.962255|2.428002|2.443822|14.857741|4.235829|3.280743|1.961953|2.088705|2.559090|3.012344|1.727205|1.547244|2.465080|8.595578|0.169515|0.140551|0.203913|0.210680|0.173641|0.303718|0.500000| |4.508817|6.820208|8.743418|17.619381|12.451184|7.236874|4.833760|4.022556|5.715413|5.951924|0.101757|5.850686|9.294968|5.248217|3.510245|3.088813|3.205847|5.607204|2.596675|3.110580|0.065463|1.966554|1.780714|1.737879|2.617718|2.108814|2.219518|12.797858|3.500224|2.856143|1.727465|1.847026|2.309321|2.728628|1.546784|1.395077|2.144658|10.464099|0.110878|0.108217|0.118598|0.205062|0.171403|0.173411|0.207449|0.500000| |4.546084|6.868213|8.870359|17.694897|12.605444|5.802880|4.352061|4.094187|5.820569|6.826874|0.120327|7.704105|14.683181|4.578051|3.034095|2.834929|2.891177|5.179098|2.366359|2.897881|0.062070|1.859725|1.713317|1.665905|2.509461|1.972691|2.036278|12.487357|3.416155|2.777319|1.723494|1.875593|2.371043|2.774594|1.551681|1.391707|2.196949|6.902897|0.120251|0.108862|0.111350|0.170409|0.208007|0.214802|0.173470|0.304824|0.500000| |1.971239|2.208293|2.574493|2.920432|4.754453|4.576714|5.657602|4.455782|7.836020|4.693744|0.084341|3.130884|4.664978|12.408951|17.586953|8.818238|7.225718|8.874898|7.542184|6.481542|0.118569|3.972615|3.043400|2.726951|3.870664|3.193166|4.101184|16.588590|4.191275|3.687069|2.197262|2.271359|2.793966|3.361112|1.950016|1.761049|2.529164|6.341834|0.052646|0.050186|0.056443|0.062735|0.057673|0.067518|0.076051|0.084780|0.073221|0.500000| |2.238314|2.599470|3.068597|3.701189|6.118719|6.206702|7.127017|5.053750|8.015568|5.469928|0.094703|3.802480|5.531117|12.592162|17.612751|8.885522|5.836571|7.927213|4.949666|4.898892|0.095907|3.038961|2.490597|2.290399|3.319925|2.713177|3.234322|14.866656|3.849375|3.304348|1.991990|2.094151|2.596622|3.095966|1.775217|1.600824|2.375679|8.774783|0.059055|0.056733|0.063363|0.074777|0.067996|0.078406|0.089269|0.111399|0.091624|0.306178|0.500000| |2.009466|2.320423|2.736133|3.333890|5.748999|5.012484|6.598359|6.474901|11.467720|6.742413|0.121707|4.157513|6.072810|9.177638|8.798733|17.616914|4.970818|7.139815|4.409217|4.606100|0.094250|3.030958|2.535550|2.241962|3.200684|2.463359|2.833967|14.529197|3.696232|3.205250|2.044050|2.220656|2.817402|3.303369|1.844050|1.643569|2.535365|5.768769|0.054476|0.051149|0.055522|0.064528|0.062905|0.073415|0.075954|0.093582|0.088282|0.172948|0.213178|0.500000| |1.809663|2.029161|2.370651|2.731606|4.589571|4.037858|5.428462|5.443771|11.324909|5.497003|0.103231|3.344043|5.007506|9.160016|8.726865|17.588671|5.804904|7.883131|6.008742|5.897904|0.116905|3.993217|3.155675|2.663482|3.710227|2.818202|3.375354|16.226323|4.018887|3.568646|2.286988|2.461097|3.107774|3.664812|2.058910|1.830616|2.756574|4.870393|0.049373|0.046181|0.050674|0.056232|0.054481|0.064406|0.067330|0.075983|0.071580|0.206756|0.172835|0.303184|0.500000| |1.787523|2.026969|2.318720|2.722455|4.393701|3.842748|4.656430|4.267519|7.809019|4.699297|0.087337|3.072320|4.678325|7.532642|8.901116|17.562699|4.428964|6.235358|4.472915|4.571097|0.088825|3.117114|2.537808|2.225966|3.088481|2.394966|2.843340|13.800994|3.452254|3.100632|1.913907|2.024068|2.575308|3.087850|1.743879|1.580724|2.236596|4.922273|0.048098|0.046050|0.049918|0.057298|0.054602|0.061577|0.065462|0.078563|0.071673|0.215615|0.214673|0.301879|0.300774|0.500000| |1.852358|2.004420|2.329591|2.495101|4.002217|3.682645|4.484019|3.849886|7.174602|4.127705|0.076321|2.722328|4.140840|9.058256|6.491933|4.996019|8.641605|11.027048|17.642606|12.331209|0.184057|6.522700|4.375305|3.879487|5.458085|4.729420|7.392878|21.410539|5.257015|4.706842|2.722536|2.719002|3.252754|3.958096|2.363791|2.126465|2.960586|5.043828|0.050122|0.047076|0.053809|0.056065|0.051965|0.062548|0.070159|0.070210|0.062614|0.239645|0.141189|0.112509|0.146944|0.123229|0.500000| |1.792159|1.953877|2.288971|2.497787|4.126416|3.704810|4.870704|4.627645|9.599370|4.725973|0.088928|2.944570|4.450774|9.427220|6.745392|6.325762|8.872512|11.156297|17.658244|12.332034|0.211376|7.524318|4.865984|3.887085|5.376289|4.162775|5.627626|21.402397|5.160149|4.611444|2.905880|3.025086|3.665666|4.361906|2.535727|2.232066|3.335121|4.681189|0.049081|0.045512|0.051233|0.053917|0.051449|0.062613|0.067256|0.068874|0.063892|0.207870|0.136116|0.138983|0.223376|0.144656|0.301528|0.500000| |1.520768|1.602877|1.818688|1.895218|2.955001|2.508682|2.933995|2.832954|5.577562|3.225842|0.062739|2.115356|3.346216|4.907783|3.487702|3.271843|4.493643|7.355810|6.786129|12.418819|0.181210|17.620131|8.742780|6.366123|7.030306|5.137259|7.259647|25.403852|5.585132|5.798435|3.274651|3.079641|3.732036|4.753333|2.919603|2.682708|3.052855|3.335768|0.041840|0.039086|0.043956|0.044267|0.042131|0.050100|0.053856|0.052307|0.048903|0.110105|0.082416|0.079028|0.102927|0.084644|0.187019|0.181872|0.500000| |1.558850|1.659877|1.904883|2.015830|3.216532|2.715752|3.309673|3.366718|7.059894|3.738036|0.073604|2.363810|3.712284|5.468813|3.842907|3.853539|5.022355|8.088329|7.455605|12.367058|0.213606|17.642956|8.906888|5.451119|6.538301|4.436926|5.606694|24.762536|5.507044|5.407559|3.476086|3.486781|4.277102|5.250881|3.092984|2.729187|3.529544|3.466172|0.043168|0.039912|0.044579|0.045463|0.043989|0.052995|0.055675|0.054988|0.052437|0.115303|0.087893|0.093293|0.130312|0.096411|0.169828|0.247888|0.302266|0.500000| |1.387627|1.444134|1.626177|1.672113|2.583627|2.107756|2.424068|2.472245|4.953137|2.922038|0.058585|1.907735|3.083712|3.753428|2.605419|2.567013|3.319346|5.895340|4.153646|7.566832|0.144602|9.047202|17.550970|8.865686|7.649631|4.457396|4.761297|29.472314|5.897259|6.930730|4.179186|3.747271|4.691493|6.312713|3.948004|3.671288|3.358319|2.741738|0.038696|0.035789|0.039853|0.039411|0.038307|0.045633|0.047580|0.045433|0.043800|0.077093|0.063406|0.065130|0.080915|0.066466|0.106070|0.117171|0.220869|0.212854|0.500000| |1.527040|1.593164|1.822237|1.871796|2.946424|2.397065|2.813195|2.964341|6.108763|3.468806|0.070075|2.213108|3.552985|4.276158|2.832744|2.795919|3.912095|7.280980|4.647783|8.953470|0.201056|8.896445|17.572296|8.948505|9.770917|5.100048|5.097492|36.632732|7.244024|7.644421|5.731973|5.423209|6.448526|8.114008|4.982480|4.098114|4.782866|3.036867|0.042907|0.039054|0.043748|0.043036|0.042251|0.051743|0.053268|0.050135|0.048958|0.081179|0.068198|0.072140|0.089148|0.070163|0.109661|0.130483|0.173844|0.223969|0.303624|0.500000| |1.488183|1.525690|1.714931|1.721369|2.623272|2.155519|2.406621|2.357415|4.503098|2.818042|0.055512|1.891427|3.057014|3.732766|2.509353|2.328318|3.376130|6.298269|4.040997|7.819591|0.146401|6.596569|8.713064|17.552593|12.289545|7.358850|6.770624|41.058702|7.813547|10.396293|4.533897|3.680302|4.310750|5.843817|3.980649|3.809479|3.346394|2.882736|0.041382|0.038278|0.043426|0.041717|0.039919|0.047912|0.051190|0.046893|0.044456|0.074965|0.062409|0.059387|0.070194|0.060148|0.108427|0.101788|0.183634|0.135812|0.208759|0.173297|0.500000| |1.443095|1.473794|1.656614|1.657606|2.530048|2.035370|2.275270|2.308798|4.477444|2.804429|0.056266|1.865607|3.046463|3.408668|2.272874|2.169286|3.034018|5.803645|3.448965|6.405528|0.133788|5.453823|8.958968|17.663326|12.395094|5.712861|4.815703|51.876329|8.533151|13.378589|6.543691|4.755902|5.603301|8.076819|5.981300|5.680182|3.890111|2.664345|0.040554|0.037123|0.041800|0.039914|0.038845|0.046930|0.048925|0.044633|0.043228|0.065994|0.056702|0.056418|0.065973|0.055750|0.088643|0.090585|0.135936|0.124325|0.219634|0.216683|0.306630|0.500000| |1.792095|1.815574|2.062930|2.015660|3.055183|2.541617|2.756308|2.592913|4.726109|3.119456|0.060112|2.145083|3.440187|4.237624|2.700369|2.371704|3.911622|7.880818|4.182981|7.589201|0.150532|4.646181|4.767582|6.604075|12.184582|17.531503|8.989309|46.081705|11.105957|10.372390|4.228100|3.581221|3.994583|5.128775|3.424542|3.133853|3.570858|3.480864|0.049667|0.045570|0.053381|0.049566|0.046588|0.057391|0.063396|0.054786|0.050977|0.079680|0.068519|0.061211|0.068959|0.060383|0.113774|0.097144|0.125250|0.103436|0.110328|0.116477|0.201863|0.147102|0.500000| |2.061960|2.105536|2.467674|2.400845|3.741339|3.145103|3.467980|3.273037|5.915045|3.884027|0.074042|2.635991|4.155808|5.238837|3.112900|2.696838|5.121810|11.857132|4.900443|8.843920|0.203386|4.713657|4.650067|5.639537|12.546168|17.705445|8.902737|49.051421|14.530916|9.011045|4.749723|4.347936|4.597518|5.555493|3.594623|3.070391|4.780824|4.184198|0.057566|0.051557|0.061392|0.056726|0.053709|0.069468|0.076608|0.064096|0.060025|0.088804|0.078133|0.070490|0.078395|0.066732|0.123331|0.110700|0.117091|0.109297|0.103425|0.123579|0.145819|0.128156|0.301592|0.500000| |1.987967|2.086112|2.429384|2.460749|3.853097|3.441157|3.883819|3.388246|6.086607|3.838154|0.071400|2.609458|4.032602|6.707987|4.119358|3.320425|6.860641|12.502558|7.738134|12.294253|0.205175|5.697154|4.562021|4.811120|7.733609|8.966457|17.679701|28.721540|7.326934|6.165263|3.266395|3.110310|3.558160|4.365353|2.715627|2.431643|3.377016|4.817083|0.054118|0.050123|0.059060|0.057747|0.053149|0.065912|0.075503|0.068044|0.060959|0.127473|0.100854|0.082441|0.095286|0.082673|0.226929|0.150673|0.156195|0.129074|0.105156|0.112463|0.138440|0.105876|0.208094|0.227960|0.500000| |1.684818|1.753957|1.996315|2.029043|3.128112|2.687398|3.036006|2.802614|5.236355|3.235257|0.061840|2.181001|3.442325|5.064126|3.383173|2.936484|4.813108|8.469588|6.367859|12.401700|0.185633|7.658200|6.083370|6.630170|8.836076|8.727148|17.650780|30.125643|6.898066|6.846625|3.416242|3.100277|3.609136|4.588013|2.915940|2.682734|3.141538|3.694197|0.046156|0.043058|0.049552|0.048531|0.045361|0.054670|0.060589|0.056100|0.051430|0.106306|0.082701|0.072512|0.087036|0.075227|0.189631|0.140747|0.242714|0.152410|0.141030|0.133149|0.218185|0.135419|0.222831|0.174515|0.302755|0.500000| |1.260193|1.273587|1.408383|1.399739|2.099900|1.625027|1.776960|1.863492|3.597827|2.368186|0.048910|1.589232|2.671712|2.529924|1.712063|1.689632|2.121155|4.046487|2.255644|3.680558|0.079660|2.966667|3.881722|4.298062|5.281236|3.010880|2.645737|31.797691|6.142196|8.730154|5.763281|4.514730|6.585386|12.735490|9.013805|17.570693|3.348858|2.101437|0.035885|0.032709|0.036050|0.034186|0.034056|0.040501|0.040774|0.037344|0.037239|0.048327|0.043681|0.045293|0.050886|0.043901|0.058194|0.061777|0.075595|0.077497|0.108825|0.116587|0.103597|0.154798|0.080185|0.077854|0.064550|0.072474|0.500000| |1.292300|1.292108|1.423781|1.396445|2.077588|1.589407|1.713073|1.795845|3.412128|2.321545|0.048052|1.575902|2.673573|2.398102|1.606877|1.573189|1.994371|3.867573|2.057445|3.300183|0.072305|2.532036|3.134408|3.558322|4.799167|2.835647|2.425199|31.985780|6.522003|8.908225|5.776347|4.549568|6.639919|12.824653|9.049298|17.579367|3.380444|2.056634|0.037053|0.033543|0.037008|0.034490|0.034538|0.041239|0.041221|0.037052|0.037191|0.044979|0.041406|0.042582|0.046793|0.040787|0.053205|0.055691|0.064777|0.066142|0.084528|0.093651|0.087727|0.119801|0.076495|0.075853|0.060476|0.065309|0.302334|0.500000| |1.335162|1.337858|1.479914|1.452873|2.169318|1.686348|1.826256|1.882518|3.574326|2.391191|0.048828|1.622442|2.720137|2.607913|1.743643|1.684253|2.209288|4.290115|2.327750|3.861264|0.083498|2.994085|3.863168|4.827733|6.251593|3.529104|2.924440|42.825457|7.767216|14.266072|6.665753|4.573778|5.967585|10.313507|8.924569|17.688564|3.457511|2.203022|0.038000|0.034577|0.038527|0.035914|0.035501|0.042501|0.043283|0.038784|0.038349|0.049428|0.044688|0.045027|0.050177|0.043645|0.060551|0.062074|0.077095|0.075535|0.103474|0.110676|0.118826|0.177641|0.097020|0.090701|0.071173|0.079819|0.298312|0.300137|0.500000| |2.086673|2.118812|2.505583|2.418473|3.812867|2.900048|3.191372|3.509750|6.540446|4.562904|0.093886|2.987325|4.910009|4.185478|2.522433|2.389581|3.623952|8.118465|3.233467|5.069609|0.127725|3.243867|3.496207|3.685022|6.542845|4.282110|3.546528|39.672946|12.091186|7.132878|6.381847|8.958065|8.348551|8.186267|4.651916|3.467446|17.602484|3.526361|0.061008|0.051920|0.059826|0.054810|0.055735|0.075595|0.073536|0.061384|0.062909|0.067232|0.064203|0.066396|0.070434|0.058634|0.077922|0.084104|0.077554|0.085844|0.082458|0.110130|0.087543|0.098724|0.101079|0.139329|0.092823|0.083856|0.085525|0.090057|0.092260|0.500000| |1.925466|1.995952|2.352317|2.353460|3.774275|2.835155|3.223255|3.808406|7.571810|4.972666|0.107725|3.088517|5.099143|4.172296|2.566742|2.540702|3.519198|7.410499|3.197076|4.858152|0.122064|3.261597|3.502637|3.393775|5.483645|3.505197|3.155344|30.157440|7.860967|5.838813|5.448249|9.007638|10.350348|8.806417|4.441659|3.296703|17.627276|3.354961|0.056169|0.048288|0.054176|0.051747|0.053482|0.070954|0.067173|0.059646|0.062491|0.067471|0.064600|0.071591|0.076544|0.061981|0.075743|0.087407|0.076732|0.090779|0.084134|0.116257|0.079969|0.091870|0.083054|0.106541|0.081938|0.076368|0.084961|0.085702|0.084281|0.299484|0.500000| |1.991426|2.077177|2.479855|2.493021|4.073384|3.234170|3.812110|4.298738|8.636496|5.143958|0.104569|3.179618|5.031864|5.206172|3.070890|2.930623|4.809966|10.988845|4.343398|7.098395|0.200078|4.402559|4.649839|4.519919|8.040562|5.057882|4.450209|39.417145|10.250689|7.000572|6.344671|8.879115|8.244461|8.080254|4.593688|3.423695|17.583727|3.864384|0.057127|0.049688|0.056940|0.054526|0.054710|0.073059|0.072778|0.064061|0.064511|0.081863|0.075389|0.080125|0.089205|0.070369|0.098661|0.113794|0.099172|0.117901|0.104165|0.154838|0.103103|0.114871|0.111059|0.157836|0.112298|0.101888|0.088014|0.085293|0.091129|0.302828|0.300654|0.500000| 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