Version2.1 2021-01-09T04:40:14Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 19-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(c(c1)[C@@H](CNC(=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3)[NH+]4CCCC4)Cl C12915219 RHF 6-31G(d) (6D,7F) c1ccc(c(c1)[C@@H](CNC(=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3)[NH+]4CCCC4)Cl C01[X(C24H31Cl1N3O3S1)] 183 C1 550 O=C(c1ccc(cc1)S(=O)(=O)N1CCCCC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 O=C(c1ccc(cc1)S(=O)(=O)N1CCCCC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 Clc1ccccc1[C@@H](CNC(=O)c2ccc(cc2)[S](=O)(=O)N3CCCCC3)[NH+]4CCCC4 InChIKey=LXSKLHDZRYSAGU-HSZRJFAPSA-O InChI=1S/C24H30ClN3O3S/c25-22-9-3-2-8-21(22)23(27-14-6-7-15-27)18-26-24(29)19-10-12-20(13-11-19)32(30,31)28-16-4-1-5-17-28/h2-3,8-13,23H,1,4-7,14-18H2,(H,26,29)/p+1/t23-/m1/s1 InChI=1/C24H30ClN3O3S/c25-22-9-3-2-8-21(22)23(27-14-6-7-15-27)18-26-24(29)19-10-12-20(13-11-19)32(30,31)28-16-4-1-5-17-28/h2-3,8-13,23H,1,4-7,14-18H2,(H,26,29)/p+1/t23-/m1/s1/fC24H31ClN3O3S/h26-27H/q+1 c1ccc(c(c1)[C@@H](CNC(=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3)[NH+]4CCCC4)Cl C01[X(C24H31Cl1N3O3S1)] 183 C01 550 O=C(c1ccc(cc1)S(=O)(=O)N1CCCCC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 [O][C]([C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)N1CCCCC1)NC[C@H]([C]1[CH][CH][CH][CH][C]1Cl)[NH]1CCCC1 [O][C](NC[C@H]([C]1[CH][CH][CH][CH][C]1Cl)[NH]2CCCC2)[C]3[CH][CH][C]([CH][CH]3)[S](=O)(=O)N4CCCCC4 InChIKey=PJGKVFRIRQIYFY-HSZRJFAPSA-N InChI=1S/C24H31ClN3O3S/c25-22-9-3-2-8-21(22)23(27-14-6-7-15-27)18-26-24(29)19-10-12-20(13-11-19)32(30,31)28-16-4-1-5-17-28/h2-3,8-13,23,27H,1,4-7,14-18H2,(H,26,29)/t23-/m1/s1 InChI=1/C24H31ClN3O3S/c25-22-9-3-2-8-21(22)23(27-14-6-7-15-27)18-26-24(29)19-10-12-20(13-11-19)32(30,31)28-16-4-1-5-17-28/h2-3,8-13,23,27H,1,4-7,14-18H2,(H,26,29)/t23-/m1/s1/f/h26H 3618.9213649753 -2171.5827175 1-A 24425.9872 126 424 550 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0.04267 16.44 21.29 30.48 40.79 51.50 65.76 72.07 94.38 106.67 113.34 117.82 150.92 178.53 192.99 230.50 254.65 275.66 285.22 304.54 312.25 371.98 387.26 407.96 418.00 431.00 458.56 472.02 516.05 549.80 562.57 578.81 599.78 638.94 654.45 666.81 698.11 703.49 715.19 738.91 760.27 766.09 789.12 801.25 827.56 893.76 915.45 932.40 944.13 967.46 994.15 1056.26 1095.57 1124.84 1129.07 1173.42 1190.50 1238.04 1241.40 1251.99 1257.98 1286.21 1296.74 1307.44 1337.58 1355.36 1358.83 1380.89 1403.72 1413.58 1415.82 1429.02 1449.08 1482.44 1494.88 1525.13 1526.93 1552.23 1588.31 1595.98 1599.99 1616.25 1618.52 1621.67 1642.10 1646.68 1656.55 1666.49 1668.99 1674.69 1680.43 1718.96 1727.51 1739.51 1745.58 1751.50 1792.49 1803.45 1822.17 1848.47 1861.19 1867.75 1883.48 1894.04 1896.12 1908.75 1932.45 1948.14 1964.57 1968.98 2024.00 2033.86 2041.22 2055.49 2056.85 2086.15 2093.70 2118.92 2124.94 2128.04 2130.92 2151.93 2152.29 2157.05 2196.03 2205.11 2209.87 2210.49 2218.57 2232.79 2246.31 2251.33 2260.04 2316.80 2338.68 2348.34 2348.96 2352.51 2365.21 2367.14 2370.69 2375.04 2376.40 2395.60 2397.86 2406.27 2409.73 2474.07 2534.25 2548.34 2587.75 2604.75 2694.73 4552.39 4559.37 4590.32 4631.73 4632.58 4668.35 4681.99 4690.51 4690.78 4701.30 4704.35 4711.24 4749.67 4753.80 4769.92 4775.94 4782.46 4802.64 4804.04 4845.38 4855.40 4861.40 4862.88 4878.14 4896.42 4905.03 4912.81 4921.48 4926.22 5189.34 5613.39 0.573389 0.601195 0.602139 0.509905 -2171.009328 -2170.981523 -2170.980579 -2171.072813 3.093544D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2021 DUDE c1ccc(c(c1)[C@@H](CNC(=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3)[NH+]4CCCC4)Cl C12915219 RHF 6-31G(d) (6D,10F) C1 476.177467 |X|Y|Z| 141.622833 54.787031 36.975335 65.953987 28 6 7 16 24 3 1 |36.858105| |13.747629|36.858105| |7.955113|13.791804|36.858105| |6.901099|7.957065|13.746763|36.858105| |7.863242|6.804401|7.860558|13.684881|36.858105| |13.793441|7.959604|6.903736|7.998819|13.662236|36.858105| |4.988694|4.410714|4.988980|7.510099|12.535548|7.495010|36.858105| |4.194013|3.981694|4.759264|7.255209|8.939778|5.615097|17.668887|0.500000| |4.193175|3.738281|4.100328|5.524757|7.472172|5.753366|12.327322|0.250367|36.858105| |4.451530|3.773297|3.853078|4.726391|6.325588|5.979845|7.438075|0.155149|13.160936|53.358707| |4.167229|3.393313|3.303366|3.857387|5.132414|5.475702|5.857522|0.125363|7.736178|19.268408|36.858105| |3.951324|3.201244|3.121220|3.671569|4.964963|5.281232|6.023546|0.128940|6.847021|11.636427|15.649407|73.516695| |3.702659|3.055406|2.884533|3.176121|3.918502|4.380327|4.087424|0.093732|5.016852|10.665354|12.766681|14.305149|36.858105| |3.471926|2.832141|2.606008|2.793626|3.396558|3.947454|3.456650|0.080786|3.879435|7.130572|7.727976|12.035614|13.705057|36.858105| |2.983681|2.510345|2.298422|2.400113|2.798900|3.210953|2.792130|0.067293|3.094934|5.403913|5.083876|8.085733|7.926034|13.779528|36.858105| |2.750754|2.385577|2.209819|2.291897|2.605662|2.910515|2.590340|0.063367|2.942172|5.137253|4.476619|6.800466|6.891237|7.963736|13.735396|36.858105| |2.851262|2.506587|2.365337|2.482371|2.811530|3.060740|2.818901|0.068914|3.346567|6.060417|5.025207|7.122976|7.922096|6.857852|7.898863|13.740622|36.858105| |3.273744|2.830945|2.708038|2.928825|3.423171|3.683896|3.510071|0.083673|4.414315|8.895134|7.530055|9.402842|13.694704|7.916492|6.858562|7.964140|13.773386|36.858105| |2.280897|2.034095|1.885980|1.920120|2.120359|2.339922|2.090031|0.052322|2.313254|3.813471|3.152564|5.027770|4.185031|4.716597|6.923092|10.656255|6.927955|4.717751|388.023441| |2.211538|2.012606|1.876944|1.894659|2.054485|2.239363|2.007119|0.050676|2.234013|3.654671|2.894129|4.543721|3.717517|3.860167|4.993503|7.399207|6.535738|4.453221|94.900447|73.516695| |2.277708|2.018017|1.844250|1.857806|2.050974|2.300922|1.997545|0.050007|2.151700|3.489874|2.904931|4.771874|3.717001|4.445168|6.516490|7.398744|5.001116|3.864066|94.908711|13.587216|73.516695| |1.974131|1.778427|1.676556|1.725418|1.900554|2.053530|1.916177|0.048509|2.128207|3.424323|2.830587|4.630677|3.606062|3.998458|5.369040|6.922404|5.352504|3.988155|83.311224|13.722099|13.722021|53.358707| |1.856426|1.693914|1.621238|1.680195|1.837165|1.945209|1.874609|0.047871|2.116304|3.374935|2.725570|4.419735|3.392681|3.514507|4.308933|5.571693|5.149317|3.921973|50.759546|11.647741|8.851566|17.655503|36.858105| |1.619691|1.492455|1.435568|1.484221|1.608377|1.689565|1.645839|0.042501|1.832957|2.845240|2.271820|3.771209|2.702992|2.809702|3.309624|3.906922|3.648945|3.004860|34.578127|8.203702|7.015623|10.596665|12.482595|36.858105| |1.565508|1.435054|1.379105|1.430652|1.559246|1.640987|1.606127|0.041494|1.770389|2.722574|2.207230|3.749222|2.589611|2.766676|3.233043|3.569096|3.222373|2.756960|30.077849|6.621605|6.621129|9.009225|7.547744|12.462272|36.858105| |1.645097|1.494482|1.420490|1.465959|1.606403|1.715432|1.640194|0.042094|1.785980|2.764222|2.276484|3.898534|2.702043|3.013473|3.659632|3.905892|3.299866|2.800763|34.576925|7.016511|8.202861|10.596897|6.511985|7.589779|12.462254|36.858105| |1.894515|1.696843|1.599852|1.654130|1.834261|1.984525|1.866383|0.047298|2.045681|3.243434|2.733564|4.626225|3.390846|3.934634|5.169559|5.568653|4.293124|3.501718|50.752718|8.851273|11.648474|17.654411|7.676098|6.511796|7.547768|12.482690|36.858105| |4.395922|3.736549|3.936796|5.163819|7.580510|6.335986|12.620031|0.257438|7.495438|7.906687|5.625083|12.341667|3.952831|3.549415|2.826619|2.535472|2.665047|3.245989|14.604508|3.433458|3.541931|2.593801|1.844533|1.631373|1.618610|1.667569|1.896740|53.358707| |4.557225|3.684841|3.696041|4.602103|6.808151|6.681893|9.303224|0.183930|7.154452|8.829915|7.111818|18.034789|4.735165|4.300670|3.283671|2.863841|2.974842|3.670520|16.133011|3.736985|3.922737|2.848243|2.004256|1.756646|1.748809|1.816303|2.093200|25.593849|0.500000| |4.376435|3.801090|3.962816|4.935539|6.474377|5.794273|7.488189|0.190400|4.866949|5.603647|4.066893|8.529771|3.165658|2.992961|2.474400|2.217849|2.280817|2.669308|13.149729|3.097423|3.248924|2.334838|1.647590|1.474753|1.470497|1.525457|1.718372|17.131923|0.252574|36.858105| |3.271128|2.919309|3.015411|3.566651|4.289727|4.004020|5.066645|0.138131|3.864828|4.560939|3.430868|7.357362|2.769807|2.684398|2.258972|2.021328|2.053853|2.358879|12.175875|2.850145|3.019545|2.202781|1.558334|1.411928|1.424311|1.475918|1.644629|10.629501|0.182825|12.370859|36.858105| |2.956304|2.622358|2.709893|3.230227|3.942720|3.666135|5.067546|0.135787|4.234754|4.967337|3.837741|8.635221|3.029871|2.905794|2.411080|2.152008|2.198072|2.553720|12.819855|2.980591|3.143199|2.350451|1.675113|1.515876|1.536926|1.582636|1.765459|10.968024|0.201077|7.797271|12.416347|36.858105| |3.267230|2.904720|3.085857|3.874288|4.919724|4.244621|7.504560|0.200060|6.179928|6.495617|4.740907|10.526300|3.489255|3.162210|2.574056|2.332631|2.451200|2.942510|13.633892|3.200258|3.285476|2.482167|1.787630|1.599536|1.600609|1.632772|1.833861|17.243634|0.263303|7.939933|7.936116|12.534243|36.858105| |4.227445|4.790212|7.107832|10.904049|6.946649|4.745520|6.160076|0.207968|4.972139|5.378436|3.217779|5.505632|2.682947|2.355946|2.059573|1.998709|2.182041|2.546151|12.119743|3.013648|2.906513|2.126403|1.545822|1.381316|1.331240|1.347699|1.499639|5.976804|0.104910|4.178957|3.277070|3.036846|3.689726|448.794386| |17.737512|8.902926|5.652133|4.968196|5.619173|8.942823|4.078129|0.096531|3.594221|5.387993|3.924269|6.663057|3.680506|3.616975|3.169758|2.880335|2.901731|3.239096|17.122942|4.114903|4.362776|2.797968|1.903093|1.658237|1.606575|1.707441|1.977642|5.201726|0.113719|3.840909|3.009388|2.744563|2.944744|27.405656|0.500000| |8.900295|17.737807|8.949409|5.659151|4.917882|5.653181|3.532378|0.090651|3.106434|4.323002|2.921239|4.911175|2.723055|2.574087|2.342031|2.245335|2.335227|2.568757|13.922743|3.470006|3.484011|2.323753|1.621437|1.436291|1.378862|1.439284|1.625694|4.222475|0.085664|3.193187|2.556829|2.306249|2.503018|31.804072|0.214002|0.500000| |5.648690|8.907363|17.756576|8.947667|5.624697|4.971139|4.083563|0.113395|3.494533|4.444626|2.823275|4.755317|2.516843|2.289036|2.056064|2.000628|2.141858|2.411775|12.362660|3.103620|3.020464|2.117363|1.512971|1.349747|1.294200|1.327466|1.482127|4.511272|0.086090|3.370429|2.676404|2.416729|2.719149|54.996291|0.124059|0.214953|0.500000| |9.001938|5.672865|4.968793|5.664105|8.887331|17.724548|6.936361|0.141214|5.726570|8.761860|6.724900|12.155785|5.205627|4.821353|3.724692|3.240210|3.337404|4.065291|18.059409|4.222983|4.464014|3.030094|2.085253|1.799934|1.761783|1.856879|2.174205|9.341148|0.232580|5.940204|4.235471|4.005724|4.556670|31.318862|0.217911|0.124627|0.107845|0.500000| |3.444743|3.106828|3.372288|4.344474|5.478082|4.498804|8.778826|0.213405|17.620163|12.485123|6.931194|11.987721|4.651471|3.680002|2.959164|2.809636|3.171065|4.112129|15.853220|3.800941|3.673570|2.855863|2.107608|1.840304|1.791651|1.793306|2.038601|9.604805|0.186004|4.577016|3.911574|4.603920|7.135805|33.752540|0.084702|0.073701|0.082322|0.129219|0.500000| |3.949437|3.729839|4.277690|5.800794|6.774724|5.054288|9.031195|0.230272|17.624784|12.717878|5.775404|8.884538|4.282832|3.357671|2.791366|2.734899|3.161781|4.069677|15.622931|3.850724|3.611244|2.750355|2.032162|1.767844|1.690390|1.691476|1.919675|7.608067|0.144100|4.107508|3.330190|3.539566|4.866216|45.923222|0.093284|0.086737|0.103757|0.131240|0.305120|0.500000| |4.415115|3.854518|3.922444|4.624295|5.692605|5.496036|5.918454|0.132761|9.072887|26.096448|9.418754|10.912468|7.421519|4.932260|3.947286|3.945315|4.897757|7.335447|20.851198|5.128463|4.696290|3.520480|2.568517|2.144852|2.017187|2.037982|2.392450|6.243670|0.137448|3.515081|2.896443|3.078067|3.861228|31.148641|0.109615|0.091169|0.093361|0.155026|0.187817|0.237990|0.500000| |3.561403|2.855024|2.614109|2.815629|3.481290|4.115981|3.567714|0.082915|3.813504|6.622740|7.222111|13.465344|8.928242|17.760625|8.924800|5.656570|4.947542|5.643379|27.724737|5.752542|6.904232|4.676096|3.027456|2.515379|2.536937|2.787325|3.533369|5.265607|0.134717|3.302538|2.988638|3.238439|3.421034|18.936064|0.103881|0.071779|0.063459|0.145854|0.101395|0.089917|0.121687|0.500000| |2.768447|2.341404|2.129818|2.200170|2.538940|2.923035|2.516772|0.061338|2.707771|4.529212|4.140586|6.981632|5.639304|8.914198|17.761736|8.919872|5.635563|4.948438|47.102983|8.184380|13.282246|7.246717|4.044558|3.236020|3.266585|3.890832|5.588030|3.533072|0.083200|2.333174|2.161812|2.287091|2.380602|15.218021|0.083042|0.061407|0.053252|0.093786|0.072413|0.068179|0.091051|0.214446|0.500000| |2.585574|2.334119|2.224583|2.313824|2.554479|2.727312|2.551188|0.063537|3.019269|5.244409|4.085044|5.943904|5.637187|4.947848|5.634848|8.920017|17.763104|8.913466|47.140523|13.349368|8.199909|7.215452|5.548585|3.871744|3.251124|3.223839|4.027200|3.243856|0.072384|2.063596|1.867959|1.988650|2.215181|16.631038|0.072662|0.061073|0.056748|0.080482|0.079846|0.081559|0.120233|0.107494|0.124172|0.500000| |3.187907|2.836761|2.789604|3.057076|3.507256|3.604124|3.648774|0.088207|4.839597|9.693773|6.868819|8.609346|8.845265|5.622776|4.945819|5.672614|8.989574|17.728425|27.823253|6.947925|5.768818|4.679759|3.536032|2.787765|2.533454|2.512193|3.023102|4.407230|0.098746|2.636338|2.319695|2.513732|2.963766|21.829972|0.085270|0.071164|0.069519|0.106346|0.124676|0.129493|0.246470|0.123814|0.107468|0.216696|0.500000| |1.919654|1.744293|1.681270|1.763005|1.943811|2.042675|2.013548|0.051299|2.308890|3.704594|3.021310|4.878675|3.785730|3.835037|4.545929|5.769839|5.641518|4.417320|43.136690|9.648317|7.800656|12.318653|17.470456|8.827176|6.756249|5.682733|6.867337|2.700916|0.060094|1.749588|1.657690|1.803762|1.939425|13.065031|0.054204|0.045977|0.043419|0.061155|0.064569|0.061222|0.077747|0.090842|0.114367|0.163528|0.110636|0.500000| |1.879402|1.728402|1.655807|1.706723|1.850084|1.953872|1.871395|0.047886|2.120956|3.390398|2.677735|4.273503|3.323245|3.336483|4.022519|5.416470|5.389109|3.995530|49.990189|14.159586|8.447153|12.465776|17.673057|8.853842|5.511132|4.909743|5.624768|2.470085|0.054441|1.621646|1.521318|1.623898|1.746228|12.619723|0.053399|0.046112|0.043071|0.057572|0.058144|0.057256|0.073008|0.079311|0.102875|0.177593|0.102358|0.300466|0.500000| |1.551798|1.440066|1.396713|1.448991|1.562437|1.623664|1.608409|0.041791|1.801642|2.770963|2.182421|3.617873|2.551381|2.584692|2.945548|3.449347|3.384483|2.862223|28.543005|7.094484|5.851256|7.676392|8.913546|17.546703|8.797379|5.507935|4.881422|2.158907|0.047123|1.430477|1.372178|1.477583|1.566479|10.933641|0.043795|0.038450|0.036615|0.047751|0.050537|0.048602|0.058145|0.064548|0.078747|0.101555|0.075610|0.216568|0.212270|0.500000| |1.562855|1.447202|1.386872|1.422054|1.530331|1.612864|1.550513|0.040130|1.710778|2.643589|2.092811|3.476732|2.472570|2.580186|3.050446|3.591020|3.328101|2.739264|33.608336|8.347754|7.052893|9.504828|8.917943|17.550908|8.838921|6.815788|5.711959|2.086223|0.045687|1.397503|1.335371|1.420833|1.494087|10.612581|0.044646|0.038946|0.036353|0.047471|0.047376|0.046055|0.055629|0.064605|0.084105|0.099097|0.070874|0.174091|0.218652|0.302351|0.500000| |1.588765|1.452783|1.403533|1.468082|1.608589|1.683001|1.676458|0.043317|1.860225|2.854350|2.329071|3.979674|2.715048|2.879634|3.285359|3.557530|3.272001|2.866823|27.779194|6.078657|6.078852|7.854191|6.774009|8.845914|17.496658|8.845995|6.774247|2.310850|0.051029|1.531510|1.490877|1.625800|1.695520|11.007352|0.045031|0.038551|0.036510|0.050384|0.052821|0.049105|0.058259|0.073583|0.090847|0.090330|0.073387|0.198093|0.139006|0.214846|0.173567|0.500000| |1.438017|1.327142|1.278862|1.323253|1.432646|1.501040|1.474373|0.038338|1.613295|2.448957|1.964423|3.360653|2.257997|2.394660|2.740118|2.975177|2.732668|2.387391|24.778743|5.648071|5.647433|6.724313|5.499718|8.824766|17.562360|8.824580|5.499684|2.023995|0.044335|1.361167|1.325126|1.425171|1.476623|9.946027|0.040946|0.035549|0.033494|0.044510|0.045419|0.042985|0.050362|0.061881|0.077382|0.077078|0.061809|0.138854|0.123612|0.210047|0.214529|0.303310|0.500000| |1.590559|1.443181|1.373168|1.420232|1.559334|1.663486|1.599413|0.041135|1.727125|2.646133|2.189497|3.816139|2.549997|2.870572|3.394278|3.448105|2.936870|2.575956|28.541619|5.851721|7.094177|7.676482|4.881489|5.507967|8.797503|17.546740|8.913794|2.238049|0.049758|1.512291|1.477204|1.588067|1.621009|10.501172|0.045857|0.038578|0.035643|0.050175|0.048432|0.045227|0.053630|0.075606|0.102084|0.078465|0.064418|0.127468|0.107882|0.123168|0.139360|0.214851|0.210046|0.500000| |1.586882|1.449152|1.372556|1.405133|1.528543|1.636541|1.545545|0.039769|1.670434|2.574903|2.096654|3.581233|2.471814|2.744318|3.334138|3.590202|3.044325|2.574407|33.607527|7.054770|8.345476|9.505145|5.712258|6.815851|8.838918|17.550824|8.917680|2.129151|0.047113|1.442809|1.392150|1.478433|1.522539|10.363179|0.045956|0.039027|0.035759|0.048893|0.046278|0.044204|0.053070|0.070789|0.099408|0.083889|0.064588|0.131603|0.128971|0.139360|0.200217|0.173567|0.214525|0.302348|0.500000| |1.947085|1.733647|1.618248|1.661777|1.845157|2.022027|1.857785|0.046939|2.005869|3.175816|2.690513|4.599164|3.320449|4.002134|5.400881|5.412067|4.012333|3.327421|49.982305|8.447467|14.160654|12.465762|5.624895|4.909607|5.511061|8.853545|17.673302|2.586488|0.058473|1.739434|1.662890|1.768544|1.820104|11.987704|0.057130|0.046326|0.041562|0.061815|0.055098|0.052101|0.064851|0.102034|0.178598|0.102603|0.079230|0.141473|0.127397|0.107880|0.128963|0.139009|0.123609|0.212268|0.218634|0.500000| |1.964307|1.747660|1.656131|1.731302|1.940163|2.090992|2.002777|0.050557|2.213203|3.523667|3.032784|5.178122|3.782968|4.440906|5.677381|5.766143|4.522282|3.814561|43.131785|7.799244|9.650878|12.318185|6.867264|5.682723|6.756371|8.827133|17.471299|2.795252|0.063427|1.840244|1.769256|1.925161|2.002371|12.611337|0.056577|0.046110|0.042425|0.064262|0.061889|0.057092|0.071227|0.110791|0.165279|0.113708|0.090533|0.201845|0.141469|0.127469|0.131601|0.198103|0.138856|0.216567|0.174089|0.300480|0.500000| |5.141462|4.231198|4.156766|4.893334|6.495299|6.750392|6.341260|0.152110|4.399551|5.454898|4.079651|8.479318|3.260571|3.163847|2.614239|2.311651|2.343364|2.717237|13.699698|3.211023|3.425842|2.404676|1.676865|1.496183|1.492349|1.562949|1.771364|12.251612|0.232623|17.688790|8.630666|6.001793|5.846558|30.936811|0.127380|0.098409|0.096350|0.198588|0.111583|0.104181|0.096628|0.098583|0.069038|0.058532|0.073277|0.049142|0.045845|0.040060|0.039531|0.042942|0.038312|0.043023|0.041207|0.050273|0.052448|0.500000| |4.368789|4.035782|4.452127|5.733823|6.865561|5.548415|7.450772|0.216381|4.680348|5.215393|3.601717|7.131386|2.863241|2.670394|2.252075|2.058323|2.138526|2.488271|12.343396|2.944345|3.039392|2.189366|1.554914|1.396497|1.384060|1.428086|1.598372|12.308488|0.182142|17.653168|8.690353|5.950188|6.485402|40.420486|0.103363|0.093515|0.106062|0.143875|0.120006|0.115764|0.093507|0.079825|0.058910|0.054434|0.069387|0.045693|0.042805|0.037780|0.036897|0.039910|0.035717|0.039198|0.037691|0.044828|0.047214|0.302738|0.500000| |3.141953|2.780452|2.790712|3.174337|3.756526|3.714025|4.149592|0.110500|3.309237|4.091825|3.158346|6.758118|2.633337|2.627148|2.234159|1.979523|1.979219|2.238154|12.031807|2.798952|3.019429|2.177102|1.527046|1.388868|1.409428|1.472146|1.638501|8.053400|0.154588|8.735467|17.620675|8.714979|5.744944|22.986476|0.082528|0.068746|0.069158|0.111045|0.092078|0.080141|0.073257|0.082473|0.060281|0.049937|0.060355|0.044884|0.041264|0.037328|0.036591|0.040865|0.036486|0.041126|0.038659|0.046373|0.048840|0.223024|0.182208|0.500000| |2.954225|2.733572|2.888356|3.399547|3.869295|3.502988|4.502415|0.131429|3.486243|4.050199|2.965201|6.116128|2.440510|2.348805|2.013684|1.829937|1.869639|2.129266|11.166997|2.636715|2.763456|2.029030|1.444870|1.317815|1.326704|1.367188|1.509922|8.269719|0.139556|8.816632|17.600518|8.787391|6.549152|26.372521|0.075129|0.067181|0.072734|0.099096|0.098576|0.086413|0.072849|0.071278|0.053614|0.047767|0.058821|0.042583|0.039320|0.035733|0.034712|0.038522|0.034457|0.037998|0.035940|0.042288|0.044892|0.179925|0.228296|0.303279|0.500000| |2.924976|2.541242|2.559462|2.982907|3.676668|3.603542|4.532532|0.115699|3.994909|4.982027|4.076633|9.648162|3.260010|3.218266|2.640679|2.308718|2.321100|2.684934|13.667655|3.134663|3.369749|2.513692|1.776022|1.603954|1.639919|1.701922|1.910214|9.455060|0.204249|6.455871|8.754792|17.566656|8.887069|21.922210|0.077128|0.062520|0.063208|0.113932|0.119834|0.091878|0.085507|0.102589|0.070062|0.057711|0.071975|0.053245|0.047433|0.043185|0.041629|0.048335|0.042088|0.047684|0.043949|0.053359|0.058331|0.156495|0.135734|0.220892|0.174777|0.500000| |2.544607|2.309003|2.403511|2.823776|3.304067|3.055841|4.144172|0.116138|3.634056|4.278363|3.264146|7.053718|2.663489|2.561018|2.172920|1.963657|2.006628|2.300096|11.875443|2.771524|2.906674|2.203013|1.581490|1.445462|1.471076|1.505570|1.660260|7.803365|0.144519|5.671417|8.678058|17.615379|8.797689|22.115137|0.066061|0.057198|0.060657|0.090841|0.112062|0.087376|0.075259|0.078101|0.057583|0.050955|0.063339|0.047307|0.042534|0.039325|0.037630|0.043340|0.038103|0.042125|0.039071|0.046009|0.050243|0.127257|0.133934|0.191775|0.221038|0.302455|0.500000| |3.053902|2.816560|3.090178|3.936962|4.707386|3.858393|7.151375|0.228137|5.842941|5.829932|4.011893|8.219508|3.059997|2.750386|2.295137|2.122986|2.252730|2.678335|12.594405|2.993595|3.024759|2.298788|1.670266|1.503979|1.497347|1.516213|1.686893|12.326567|0.183576|6.879877|6.865720|8.768706|17.597927|32.416910|0.075609|0.067662|0.076971|0.109296|0.188357|0.137692|0.099760|0.080800|0.059066|0.057442|0.076452|0.050167|0.045612|0.041163|0.039149|0.043956|0.038572|0.041724|0.039443|0.046354|0.050786|0.139976|0.181111|0.138480|0.183214|0.173615|0.215319|0.500000| |3.068906|2.715840|2.853273|3.520932|4.437818|3.945347|6.605487|0.168508|6.657014|7.215579|5.434463|12.360687|3.902846|3.461194|2.781526|2.524563|2.677747|3.266325|14.559738|3.401281|3.466708|2.673958|1.939749|1.726988|1.729595|1.753695|1.977405|12.229317|0.236432|5.727969|5.667744|8.697664|17.702160|26.959975|0.077895|0.065543|0.070203|0.120255|0.243090|0.141142|0.116233|0.102849|0.070579|0.066816|0.091654|0.059176|0.052388|0.047090|0.044445|0.051325|0.044105|0.048309|0.045064|0.054026|0.060651|0.130878|0.135163|0.127133|0.134448|0.218602|0.197732|0.298722|0.500000| 2169.374716 -12319.407736 4592.670202 -233.141555 -5790.504372 3618.921625 -2171.582747 2.001018 408B00000000002F 44BD0267A6BD5B3A 443D5A770BE0FE35 42BD4B3A0CD80005 B3D5B193CD5B3A8E 44831507A127789A