Version2.0 2020-04-22T19:42:26Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 23-Mar-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCOC(=O)c1ccc(cc1)NC(=O)C[NH+]2CCNC(=O)[C@@H]2c3c(nn(c3C)c4ccccc4)C C24214987 RHF 6-31G(d) (6D,7F) CCCOC(=O)c1ccc(cc1)NC(=O)C[NH+]2CCNC(=O)[C@@H]2c3c(nn(c3C)c4ccccc4)C C01[X(C27H32N5O4)] 198 C1 604 CCCOC(=O)c1ccc(cc1)NC(=O)C[NH+]1CCNC(=O)[C@@H]1c1c(C)nn(c1C)c1ccccc1 CCCOC(=O)c1ccc(cc1)NC(=O)C[NH+]1CCNC(=O)[C@@H]1c1c(C)nn(c1C)c1ccccc1 CCCOC(=O)c1ccc(NC(=O)C[NH+]2CCNC(=O)[C@@H]2c3c(C)nn(c3C)c4ccccc4)cc1 InChIKey=LZCCBPVYZYJWEB-VWLOTQADSA-O InChI=1S/C27H31N5O4/c1-4-16-36-27(35)20-10-12-21(13-11-20)29-23(33)17-31-15-14-28-26(34)25(31)24-18(2)30-32(19(24)3)22-8-6-5-7-9-22/h5-13,25H,4,14-17H2,1-3H3,(H,28,34)(H,29,33)/p+1/t25-/m0/s1 InChI=1/C27H31N5O4/c1-4-16-36-27(35)20-10-12-21(13-11-20)29-23(33)17-31-15-14-28-26(34)25(31)24-18(2)30-32(19(24)3)22-8-6-5-7-9-22/h5-13,25H,4,14-17H2,1-3H3,(H,28,34)(H,29,33)/p+1/t25-/m0/s1/fC27H32N5O4/h28-29,31H/q+1 CCCOC(=O)c1ccc(cc1)NC(=O)C[NH+]2CCNC(=O)[C@@H]2c3c(nn(c3C)c4ccccc4)C C01[X(C27H32N5O4)] 198 C01 604 CCCOC(=O)c1ccc(cc1)NC(=O)C[NH+]1CCNC(=O)[C@@H]1c1c(C)nn(c1C)c1ccccc1 CCCOC(=O)c1ccc(cc1)NC(=O)C[NH]1CCNC(=O)[C@@H]1c1c(C)nn(c1C)c1ccccc1 CCCOC(=O)c1ccc(NC(=O)C[NH]2CCNC(=O)[C@@H]2c3c(C)nn(c3C)c4ccccc4)cc1 InChIKey=RIDPWHKMYCKFKU-VWLOTQADSA-N InChI=1S/C27H32N5O4/c1-4-16-36-27(35)20-10-12-21(13-11-20)29-23(33)17-31-15-14-28-26(34)25(31)24-18(2)30-32(19(24)3)22-8-6-5-7-9-22/h5-13,25,31H,4,14-17H2,1-3H3,(H,28,34)(H,29,33)/t25-/m0/s1 InChI=1/C27H32N5O4/c1-4-16-36-27(35)20-10-12-21(13-11-20)29-23(33)17-31-15-14-28-26(34)25(31)24-18(2)30-32(19(24)3)22-8-6-5-7-9-22/h5-13,25,31H,4,14-17H2,1-3H3,(H,28,34)(H,29,33)/t25-/m0/s1/f/h28-29H 3680.9058627644 -1612.6181329 1-A 29956.9660 130 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 5.1243 10.5245 21.1842 28.7005 33.8963 36.3215 42.6108 46.8378 55.1753 62.2009 71.4420 75.6431 80.0786 84.7402 106.8034 112.8217 130.6859 133.0063 142.2635 149.3363 155.1929 180.1135 184.8298 203.1424 214.4275 230.2580 251.5341 277.8929 287.4201 294.9773 323.8754 338.3724 351.6381 357.4232 368.2727 379.4138 383.4029 406.6506 443.7136 456.9481 458.6363 459.2281 469.0017 492.7433 521.6897 543.2567 554.1621 573.7343 586.5892 597.4777 612.1734 634.8711 641.5493 663.7621 672.6893 690.1023 699.7212 708.9181 739.7778 741.5766 751.5281 769.1017 772.5901 783.0801 813.2210 821.2432 830.6858 861.3046 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188.03 191.37 204.69 214.86 223.29 259.14 265.93 292.28 308.51 331.29 361.90 399.83 413.53 424.41 465.98 486.84 505.93 514.25 529.86 545.89 551.63 585.08 638.40 657.45 659.88 660.73 674.79 708.95 750.60 781.63 797.32 825.48 843.97 859.64 880.78 913.44 923.05 955.01 967.85 992.90 1006.74 1019.98 1064.38 1066.96 1081.28 1106.57 1111.58 1126.68 1170.04 1181.59 1195.17 1239.23 1250.89 1285.14 1311.40 1344.54 1345.77 1370.15 1374.00 1397.56 1405.38 1412.18 1445.56 1455.21 1502.99 1509.21 1524.97 1555.55 1556.15 1569.21 1579.27 1588.60 1591.86 1605.87 1610.97 1626.77 1627.98 1631.66 1637.09 1654.81 1674.08 1680.11 1687.97 1700.69 1709.86 1736.59 1748.65 1756.14 1785.87 1787.62 1820.05 1823.73 1859.59 1864.42 1873.89 1887.26 1894.11 1899.20 1928.77 1932.99 1981.75 2010.00 2018.59 2049.15 2055.45 2062.98 2078.16 2084.16 2090.96 2110.43 2120.03 2132.56 2136.32 2188.93 2222.10 2229.20 2244.44 2253.26 2255.55 2258.19 2261.29 2279.04 2285.23 2317.86 2330.70 2337.94 2340.89 2342.49 2351.92 2354.57 2357.44 2358.36 2366.07 2380.47 2381.47 2386.98 2396.03 2400.32 2410.86 2430.44 2435.12 2501.56 2529.55 2581.11 2596.94 2599.77 2613.87 2786.82 2873.11 2881.55 4602.81 4613.23 4627.07 4628.37 4629.87 4667.44 4686.64 4692.66 4705.02 4711.86 4715.90 4716.68 4720.96 4722.04 4746.06 4771.02 4775.57 4779.61 4808.83 4819.99 4825.43 4850.22 4862.42 4876.47 4890.46 4902.90 4912.93 4925.79 4982.44 5213.58 5520.41 5536.19 0.610719 0.643290 0.644234 0.539262 -1612.007414 -1611.974843 -1611.973899 -1612.078871 3.520778D-04 MUNgauss RevisionA2.0 retrievium 22-Apr-2020 DUDE CCCOC(=O)c1ccc(cc1)NC(=O)C[NH+]2CCNC(=O)[C@@H]2c3c(nn(c3C)c4ccccc4)C C24214987 RHF 6-31G(d) (6D,10F) C1 490.245430 |X|Y|Z| 151.749515 73.120699 39.778561 76.138720 26 6 7 21 5 |36.858105| |12.462287|36.858105| |7.562520|12.563645|36.858105| |5.078260|8.005996|13.313072|73.516695| |3.921921|5.268392|8.103224|25.716964|36.858105| |3.722655|4.598905|7.151023|15.280097|16.011849|73.516695| |3.125812|4.051588|5.175330|14.448199|12.746761|14.332777|36.858105| |2.606173|3.181907|3.952421|9.387774|7.701996|12.066467|13.738202|36.858105| |2.239135|2.678431|3.139434|7.116830|5.062927|8.082187|7.888359|13.765166|36.858105| |2.202788|2.658904|2.991353|6.831880|4.465407|6.786685|6.871078|7.986666|13.729775|36.858105| |2.489516|3.105938|3.426126|8.197916|5.030901|7.114277|7.941515|6.906022|7.903082|13.713392|36.858105| |3.019211|3.966194|4.557689|12.310757|7.536506|9.377591|13.720660|7.955484|6.840383|7.938908|13.799634|36.858105| |1.909668|2.248686|2.456546|5.347944|3.348696|5.290462|4.541673|5.125114|7.699086|13.376381|7.974373|5.192816|53.358707| |1.710791|1.973642|2.157512|4.557441|2.867198|4.702663|3.680502|4.324031|6.288886|7.652887|5.189217|3.910514|19.436882|36.858105| |1.671335|1.911618|2.119191|4.427460|2.844751|4.794745|3.584266|4.449180|6.485658|6.426778|4.413934|3.579887|11.394887|15.826410|73.516695| |1.538323|1.751700|1.874234|3.872934|2.364645|3.901086|2.900283|3.226808|4.196364|5.005832|4.004322|3.135876|10.729858|12.427828|14.408365|36.858105| |1.404374|1.577285|1.692277|3.434237|2.105498|3.551610|2.508842|2.830872|3.562445|3.874570|3.157119|2.614737|7.113470|7.825485|13.130255|12.815668|53.358707| |1.429276|1.604773|1.738932|3.530662|2.193135|3.732596|2.617602|3.028059|3.858659|4.016096|3.184990|2.669016|7.107178|8.201435|16.805274|9.586386|25.585535|0.500000| |1.365734|1.526649|1.637564|3.301086|2.021880|3.432878|2.380757|2.680764|3.303607|3.509832|2.910069|2.458047|6.101166|6.045855|10.656282|7.705734|17.351251|0.260991|36.858105| |1.264797|1.398368|1.502784|2.986222|1.831750|3.162429|2.108031|2.381919|2.843062|2.887179|2.436842|2.128575|4.689387|4.413841|8.510612|5.043977|10.606599|0.206556|12.591547|36.858105| |1.181608|1.299335|1.385448|2.733406|1.660202|2.865895|1.890503|2.102412|2.466161|2.530747|2.185882|1.921448|4.086667|3.741180|6.987998|4.494061|9.290088|0.175924|7.875837|13.194907|53.358707| |1.183741|1.303981|1.383556|2.735161|1.651838|2.832923|1.886822|2.079048|2.443725|2.557290|2.225020|1.939959|4.197835|3.840532|6.920953|4.920740|10.160921|0.183041|6.694370|7.623928|19.196007|36.858105| |1.113994|1.220175|1.287577|2.526334|1.515091|2.604321|1.710809|1.864284|2.151436|2.246805|1.993963|1.759529|3.607094|3.174056|5.682018|3.933921|7.127327|0.134013|4.745185|5.312717|11.583397|16.020133|73.516695| |1.286852|1.431720|1.519481|3.041974|1.838556|3.114196|2.140680|2.358513|2.842984|3.074811|2.637406|2.237430|5.322519|5.082013|8.608769|7.580814|16.989818|0.253753|7.590813|6.431378|10.412221|12.347396|14.432409|36.858105| |1.272299|1.415699|1.489445|2.979368|1.781465|2.997034|2.069146|2.238665|2.670370|2.955922|2.599764|2.196498|5.139035|4.638667|7.438864|7.204981|12.411827|0.181160|6.789886|5.434938|8.552110|9.079678|12.647193|17.598468|0.500000| |1.295556|1.440657|1.528178|3.055535|1.844200|3.124653|2.140132|2.348487|2.805223|3.022203|2.616556|2.234574|5.108639|4.711299|8.069027|6.312395|10.435046|0.202447|4.999834|4.527433|7.078033|7.488662|11.755385|12.760262|0.250414|36.858105| |1.279995|1.421660|1.491879|2.973369|1.769970|2.979084|2.038935|2.184778|2.556850|2.807377|2.520489|2.161614|4.658223|3.975958|6.541337|5.151422|7.169816|0.136554|3.845806|3.453221|5.283904|5.196396|9.137160|7.326903|0.196407|13.410959|36.858105| |1.273509|1.409566|1.480511|2.935668|1.747311|2.955428|1.994097|2.133030|2.457676|2.649334|2.399504|2.094380|4.229635|3.519027|5.971593|4.149089|5.695341|0.115754|3.191841|2.963969|4.460857|4.143920|7.475267|5.198671|0.134199|8.544797|14.706157|53.358707| |1.283965|1.419469|1.507095|2.986748|1.800552|3.075874|2.054446|2.241835|2.595619|2.716471|2.403697|2.114852|4.279525|3.672200|6.564435|4.124264|5.970025|0.129749|3.315338|3.178048|4.764979|4.348287|7.679749|5.245969|0.124526|8.784376|9.013334|19.312995|53.358707| |1.295216|1.435395|1.533953|3.053930|1.858501|3.182431|2.140676|2.378699|2.815151|2.924710|2.515556|2.190104|4.729574|4.317159|7.961204|4.997440|8.041981|0.182991|4.192684|4.068763|6.196883|5.866622|9.686053|7.354964|0.154311|13.806460|8.581489|11.644653|19.398375|36.858105| |1.286373|1.419851|1.533281|3.038436|1.872622|3.255057|2.141461|2.431767|2.864594|2.844108|2.409028|2.135215|4.444292|4.098929|8.270657|4.331491|7.319963|0.185240|4.144656|4.358474|6.440774|5.434646|8.729876|5.792984|0.122449|7.280737|5.145116|7.089853|10.368770|12.696313|36.858105| |1.262190|1.386557|1.474197|2.895160|1.744754|3.007559|1.959630|2.131747|2.408023|2.461938|2.208620|1.989958|3.717291|3.084436|5.638957|3.258169|4.630797|0.102265|2.727828|2.674891|3.934881|3.393374|6.083813|3.811019|0.093319|5.331940|5.501691|10.848646|18.139361|7.647768|6.232593|36.858105| |1.166755|1.270957|1.341078|2.605615|1.555568|2.690495|1.721347|1.848360|2.050033|2.095497|1.916923|1.749256|3.126048|2.542362|4.608481|2.707938|3.862931|0.083168|2.364275|2.354229|3.518020|3.015407|5.626928|3.233374|0.081681|4.262751|4.599880|8.694168|10.698516|5.411624|4.673704|13.753065|36.858105| |1.138663|1.232447|1.300204|2.504691|1.492483|2.599222|1.629870|1.742459|1.898620|1.916073|1.770189|1.641865|2.792888|2.231837|4.076612|2.314630|3.267657|0.070626|2.054021|2.058336|3.023828|2.509062|4.643919|2.643596|0.067537|3.288779|3.467964|6.042379|7.026730|4.019776|3.777693|7.974959|13.768628|36.858105| |1.193457|1.291418|1.371042|2.637530|1.580146|2.768010|1.717909|1.844757|1.993022|1.981802|1.827645|1.711623|2.837187|2.251035|4.164113|2.265674|3.164057|0.069432|1.997894|1.996875|2.867852|2.329038|4.207062|2.472265|0.062827|3.015583|3.089374|5.210738|6.190274|3.711963|3.667871|6.903900|7.929496|13.735084|36.858105| |1.295978|1.413037|1.513944|2.938562|1.779171|3.115905|1.954154|2.125595|2.316565|2.282967|2.075161|1.934951|3.257564|2.602020|4.877326|2.560626|3.547847|0.079451|2.203926|2.182160|3.081681|2.491731|4.390401|2.705028|0.067726|3.333199|3.325641|5.585353|7.002289|4.244430|4.289693|7.965711|6.859301|7.934770|13.757089|36.858105| |1.339213|1.473605|1.581410|3.109373|1.891504|3.280858|2.121091|2.330444|2.613376|2.610604|2.327274|2.121141|3.830819|3.141150|5.885187|3.131367|4.354528|0.098840|2.602434|2.544766|3.608889|2.984569|5.189312|3.348795|0.082047|4.363649|4.286702|7.487584|10.633493|6.004935|5.766740|13.767149|7.906566|6.869462|7.937424|13.747250|36.858105| |1.252621|1.389833|1.441236|2.864856|1.681965|2.811219|1.927414|2.023085|2.336977|2.617963|2.424314|2.078195|4.331095|3.519137|5.599705|4.626480|6.062285|0.109914|3.510399|3.086911|4.674181|4.430035|7.958395|5.868997|0.189505|7.231363|12.699440|10.653919|7.301391|5.160233|3.703321|3.965122|3.593819|2.873612|2.574488|2.703387|3.279060|36.858105| |17.545878|8.763252|6.837593|8.282593|3.760692|6.544567|2.989540|2.535592|2.176236|2.120088|2.363435|2.840178|2.508587|1.663997|2.908472|1.496266|1.867806|0.038962|1.328449|1.236430|1.577502|1.162974|1.950254|1.262104|0.034541|1.278091|1.263734|1.721682|1.741750|1.285922|1.280663|1.266599|1.172549|1.150220|1.211416|1.315707|1.350819|1.231194|0.500000| |17.573744|8.804772|5.504607|7.462965|3.320315|5.542250|2.774760|2.339454|2.053811|2.051012|2.324989|2.759652|2.455008|1.618355|2.794592|1.471090|1.827460|0.037774|1.306050|1.209038|1.544064|1.139307|1.912084|1.237642|0.034141|1.246131|1.237795|1.675286|1.679769|1.241114|1.226394|1.212158|1.125406|1.098302|1.146691|1.238718|1.279263|1.218994|0.302048|0.500000| |17.545861|8.763203|6.837616|8.282538|3.760634|6.544595|2.989434|2.535692|2.176307|2.119945|2.363121|2.839819|2.508761|1.661794|2.901737|1.493984|1.868083|0.038816|1.345222|1.250578|1.585179|1.160509|1.939747|1.254976|0.034438|1.256330|1.234877|1.667253|1.685564|1.255603|1.253423|1.215644|1.124743|1.097221|1.148601|1.245724|1.287655|1.207467|0.301495|0.302046|0.500000| |8.828736|17.544903|8.933408|13.044739|4.948104|7.495681|4.014834|3.140632|2.684387|2.711393|3.215875|4.087252|3.133436|2.005659|3.424256|1.786716|2.180429|0.044985|1.561004|1.422051|1.792926|1.319321|2.190348|1.449788|0.040022|1.447644|1.427747|1.912573|1.917396|1.430718|1.410502|1.365595|1.251826|1.207699|1.257858|1.373322|1.440833|1.404699|0.172583|0.212246|0.210198|0.500000| |8.828709|17.545003|8.933410|13.044989|4.948256|7.495673|4.015098|3.140449|2.684257|2.711692|3.216661|4.088316|3.133100|2.009516|3.435281|1.790601|2.179992|0.045212|1.535103|1.401463|1.781902|1.322926|2.205426|1.460749|0.040183|1.481036|1.472627|1.995560|2.000864|1.475810|1.449441|1.438625|1.318378|1.279065|1.341254|1.468281|1.530493|1.442239|0.210199|0.212245|0.172583|0.303148|0.500000| |6.824518|8.798731|17.617110|16.511487|7.270071|12.863125|4.755041|3.808399|3.026784|2.836933|3.167113|4.087412|3.195811|2.089336|3.685024|1.816557|2.247807|0.047433|1.587762|1.467580|1.850245|1.360554|2.257877|1.490768|0.040399|1.511550|1.476947|2.011202|2.057721|1.531031|1.536726|1.492484|1.358961|1.325928|1.407975|1.557673|1.613921|1.418063|0.201873|0.139871|0.167804|0.173716|0.212136|0.500000| |6.824396|8.798657|17.617112|16.511429|7.269758|12.863373|4.754684|3.808776|3.027005|2.836621|3.166400|4.086409|3.196199|2.085006|3.671411|1.812501|2.248303|0.047171|1.616576|1.491358|1.862646|1.356628|2.241665|1.479095|0.040234|1.476000|1.431553|1.926087|1.966997|1.480715|1.490416|1.411173|1.286202|1.246686|1.312124|1.445312|1.509496|1.382232|0.167799|0.139870|0.201869|0.212137|0.173716|0.302186|0.500000| |2.560535|3.046308|3.870630|8.615048|7.218499|13.632640|8.969488|17.755349|8.937302|5.668478|4.972180|5.666720|5.638847|3.741376|7.149521|2.877048|3.561351|0.078597|2.506759|2.286953|2.751006|1.981351|3.173420|2.205231|0.057740|2.198681|2.034546|2.724751|2.896159|2.259600|2.358823|2.050936|1.788579|1.701921|1.815105|2.090347|2.260526|1.873200|0.070064|0.063302|0.070073|0.082233|0.082219|0.106557|0.106589|0.500000| |2.020418|2.359383|2.741502|5.940983|4.137207|7.011081|5.636711|8.938222|17.828205|8.884745|5.629556|4.943653|9.482299|6.835437|14.805274|4.421427|5.358821|0.123457|3.654174|3.192682|3.701140|2.658914|4.113875|3.068264|0.078182|3.006243|2.660854|3.476557|3.757691|3.068531|3.227471|2.554035|2.154358|1.987769|2.090285|2.448444|2.786298|2.381716|0.054939|0.051693|0.054942|0.065428|0.065424|0.074462|0.074469|0.215616|0.500000| |2.369771|2.925915|3.090196|7.101002|4.093800|5.937147|5.650188|4.967490|5.625219|8.881270|17.696549|8.950539|10.024391|4.867056|7.076649|4.058700|4.255599|0.085321|2.869977|2.377533|2.940505|2.224412|3.562924|2.660859|0.074410|2.636960|2.594415|3.329144|3.258875|2.482834|2.324526|2.179171|1.904945|1.749895|1.787568|2.008540|2.257299|2.559180|0.062209|0.062572|0.062195|0.085271|0.085309|0.079221|0.079192|0.107822|0.123723|0.500000| |3.397418|4.670559|5.058328|13.922859|6.931805|8.611701|8.912443|5.655036|4.939033|5.652119|8.951609|17.768811|5.740963|3.293834|5.353627|2.770473|3.177046|0.065494|2.207256|1.926796|2.394485|1.782269|2.901423|2.039943|0.056195|2.042412|2.004894|2.652699|2.650020|1.994164|1.930998|1.842211|1.638891|1.546219|1.607161|1.797443|1.950729|1.955798|0.087016|0.086945|0.086995|0.137302|0.137386|0.121397|0.121342|0.124540|0.107433|0.216425|0.500000| |1.885462|2.220511|2.373440|5.134554|3.106769|4.860614|4.091647|4.299166|5.741273|9.309312|7.709047|4.949148|26.012830|9.560887|10.858978|7.696344|6.653865|0.128251|4.221107|3.220951|3.912960|3.002145|4.640632|3.843429|0.107527|3.682246|3.489154|4.247619|4.148570|3.301181|3.005124|2.628617|2.239791|1.995061|2.005050|2.270252|2.656808|3.381285|0.050305|0.049924|0.050347|0.063693|0.063608|0.062616|0.062698|0.098152|0.142782|0.237261|0.117181|0.500000| |1.528726|1.740942|1.844470|3.804384|2.291414|3.755581|2.791369|3.025296|3.826489|4.671429|3.938387|3.077900|9.677224|8.683041|10.767504|17.620692|12.320664|0.185586|7.460474|4.731341|5.716160|4.486739|6.510658|6.374398|0.192556|5.086564|4.463387|4.893210|4.708481|4.026729|3.540510|2.804436|2.404613|2.080077|2.026482|2.250017|2.681496|4.395867|0.041040|0.040795|0.041320|0.049803|0.049318|0.049215|0.049699|0.074683|0.108429|0.114866|0.076689|0.217823|0.500000| |1.521695|1.730527|1.838540|3.786515|2.288963|3.765736|2.783136|3.037163|3.844191|4.609907|3.853787|3.040229|9.287396|8.875993|11.443239|17.639965|12.371974|0.212190|5.665061|4.202112|5.493560|4.699169|7.004914|7.525958|0.203922|7.535443|6.642827|7.021524|6.647638|5.680026|4.485521|3.709659|3.032808|2.544751|2.468316|2.795555|3.492217|5.805662|0.041276|0.040557|0.040797|0.048781|0.049601|0.049792|0.048961|0.075308|0.110029|0.110872|0.075577|0.197107|0.299832|0.500000| |1.452496|1.632972|1.765171|3.586749|2.218315|3.760157|2.644647|3.023089|3.799698|4.000377|3.232050|2.713632|6.925286|6.853529|12.310293|7.323942|12.357332|0.223267|17.652383|8.869555|7.722750|4.902192|6.683723|5.558012|0.142192|4.164353|3.347657|3.906543|4.076001|3.672807|3.720022|2.531108|2.191217|1.933185|1.908131|2.120695|2.477727|3.082831|0.039111|0.038421|0.039856|0.046535|0.045366|0.047288|0.048621|0.078107|0.118127|0.087011|0.066835|0.128500|0.201752|0.145205|0.500000| |1.326766|1.480125|1.571274|3.155301|1.906662|3.218915|2.228008|2.449211|2.955911|3.217564|2.764025|2.336998|5.564019|5.089057|8.385944|6.877113|12.396843|0.182132|17.611051|8.819699|9.529843|6.325639|8.350695|7.064149|0.206261|4.621808|3.757106|4.168107|4.173143|3.738376|3.544336|2.526198|2.230782|1.939951|1.869671|2.034443|2.378720|3.631467|0.035736|0.035428|0.036291|0.042256|0.041391|0.042146|0.043064|0.063321|0.087939|0.077499|0.059113|0.112495|0.215774|0.147890|0.299158|0.500000| |1.292840|1.428953|1.549336|3.078492|1.909318|3.326082|2.196120|2.529177|3.027881|2.974983|2.471288|2.178480|4.719455|4.494040|9.376982|4.711899|9.420011|0.216289|8.891322|17.532746|12.321390|6.203687|8.223475|5.524395|0.125939|4.303186|3.274571|3.952852|4.378346|4.149759|4.808061|2.762365|2.404688|2.120243|2.085382|2.306225|2.686777|2.852223|0.035221|0.034176|0.035548|0.040171|0.039702|0.042220|0.042787|0.068318|0.097229|0.065804|0.054355|0.087560|0.117659|0.110510|0.218235|0.173509|0.500000| |1.228807|1.352886|1.450223|2.864582|1.749799|3.030448|1.993117|2.232830|2.615236|2.643988|2.271244|2.008220|4.189606|3.756685|7.113198|4.161240|7.676262|0.148025|8.974896|17.612991|12.534532|5.783219|7.936884|4.887454|0.124019|3.645468|2.935345|3.478961|3.672632|3.312340|3.521205|2.325401|2.085221|1.849848|1.798410|1.946279|2.226155|2.712747|0.033289|0.032671|0.033895|0.038354|0.037487|0.039213|0.040213|0.059892|0.080597|0.061679|0.050848|0.080836|0.114137|0.097701|0.210959|0.216123|0.302679|0.500000| |1.117684|1.221632|1.299988|2.544907|1.540871|2.674942|1.733930|1.917896|2.210680|2.246219|1.966730|1.752899|3.540108|3.141540|5.890728|3.637227|6.845715|0.134257|5.737885|9.006713|25.960738|9.608043|13.999132|5.646829|0.137222|4.296246|3.382387|4.001025|4.272264|3.930642|4.176568|2.669735|2.443816|2.126672|2.010858|2.131891|2.450471|3.044512|0.030493|0.029845|0.030665|0.034370|0.034131|0.035495|0.035766|0.051664|0.067384|0.053967|0.044870|0.069452|0.096068|0.092865|0.126163|0.149520|0.201039|0.223643|0.500000| |1.373203|1.523309|1.661569|3.314932|2.069838|3.608807|2.389508|2.773369|3.316187|3.209708|2.653847|2.351375|4.948932|4.635543|9.976433|4.513897|7.275592|0.197058|4.140005|4.221674|5.750049|4.558650|7.122272|5.079364|0.110715|5.994045|4.485189|6.208606|8.584808|8.847284|17.548508|5.562244|4.123595|3.495076|3.568969|4.380723|5.870720|3.359440|0.038021|0.036176|0.037156|0.041905|0.043151|0.046373|0.044833|0.075005|0.106594|0.069850|0.058324|0.090196|0.100500|0.127192|0.107930|0.096278|0.134443|0.095566|0.103191|0.500000| |1.245566|1.371437|1.479667|2.924218|1.800974|3.138202|2.053380|2.333364|2.746916|2.721624|2.304955|2.045089|4.274907|3.984826|8.107789|4.306085|7.931069|0.200121|4.722919|5.407983|8.353834|6.775809|10.379132|6.338940|0.129942|6.761349|4.644715|5.991996|7.775088|8.917602|17.577467|4.717700|3.864105|3.212686|3.090666|3.478047|4.351043|3.516917|0.034336|0.033010|0.033865|0.038016|0.038682|0.041002|0.040209|0.063097|0.086471|0.061876|0.051454|0.080485|0.099767|0.118041|0.114123|0.109849|0.169722|0.117287|0.148970|0.300585|0.500000| |1.230306|1.348634|1.453504|2.853087|1.751245|3.065749|1.971552|2.218929|2.548018|2.505823|2.165880|1.953734|3.804700|3.360437|6.678551|3.491912|5.624136|0.134590|3.386810|3.623582|5.421240|4.480926|7.715211|4.513975|0.101373|5.590110|4.446114|6.530117|9.625793|8.906197|17.619705|6.867459|5.346656|4.376818|4.239114|4.881819|6.348253|3.309855|0.034167|0.032616|0.033301|0.037067|0.038265|0.040690|0.039254|0.060459|0.078841|0.058097|0.049504|0.072189|0.082157|0.101185|0.085869|0.082804|0.110329|0.084610|0.102577|0.302434|0.303236|0.500000| |1.119004|1.217113|1.277573|2.478720|1.472204|2.539478|1.628090|1.738367|1.929659|1.991186|1.831531|1.665772|2.998616|2.438534|4.366193|2.664099|3.833084|0.080754|2.362036|2.358005|3.598225|3.143152|6.059017|3.319957|0.085238|4.362862|4.902120|9.144706|9.870688|5.198147|4.318079|8.935789|17.746369|8.884137|5.634061|4.947264|5.641813|3.909704|0.031144|0.030076|0.030004|0.033439|0.035031|0.035803|0.034104|0.046580|0.056120|0.050989|0.043541|0.060329|0.066569|0.082965|0.060112|0.062752|0.065839|0.058220|0.069859|0.103150|0.103491|0.133115|0.500000| |1.075024|1.157601|1.215305|2.327123|1.378960|2.404512|1.494889|1.587125|1.716186|1.734498|1.616846|1.507798|2.519055|1.997452|3.629632|2.081463|2.940450|0.062834|1.879571|1.892853|2.793173|2.304352|4.320805|2.387922|0.061855|2.895118|3.076960|5.183834|5.696738|3.399750|3.210668|5.665554|8.942525|17.732060|8.908046|5.644884|4.951320|2.641682|0.030172|0.028888|0.028804|0.031536|0.033347|0.034409|0.032424|0.043142|0.049680|0.044576|0.039692|0.050298|0.052672|0.063095|0.049139|0.049763|0.053815|0.047727|0.055146|0.082352|0.078437|0.101931|0.214404|0.500000| |1.160537|1.248078|1.322929|2.524739|1.507634|2.654639|1.620527|1.730363|1.844198|1.823004|1.696338|1.606815|2.577123|2.021780|3.740270|2.018860|2.808734|0.061348|1.804462|1.809592|2.582744|2.068696|3.737998|2.172562|0.055729|2.578192|2.634700|4.303794|4.926530|3.078254|3.091809|4.968966|5.644921|8.913660|17.729407|8.921862|5.647192|2.257602|0.032840|0.030997|0.031036|0.033667|0.035993|0.037889|0.035196|0.047600|0.053489|0.046029|0.042137|0.050662|0.050699|0.060456|0.048195|0.047101|0.052511|0.045732|0.050687|0.084581|0.074421|0.097954|0.123938|0.214850|0.500000| |1.345284|1.464703|1.579014|3.055031|1.858773|3.279993|2.025219|2.208744|2.372491|2.298809|2.094487|1.979722|3.207849|2.529448|4.784839|2.424872|3.326053|0.074840|2.095594|2.072066|2.875099|2.280551|3.972845|2.469957|0.062127|2.950002|2.905730|4.690507|5.675540|3.647211|3.803790|5.661312|4.945895|5.642928|8.911152|17.729989|8.930417|2.417606|0.038128|0.035585|0.035894|0.039304|0.042275|0.045469|0.041820|0.060943|0.069593|0.055744|0.051027|0.061624|0.059449|0.072527|0.056797|0.053586|0.061300|0.051704|0.055347|0.112504|0.087743|0.117230|0.107445|0.124084|0.214878|0.500000| |1.435589|1.592408|1.724246|3.426703|2.108843|3.649577|2.400350|2.681323|3.058098|3.027181|2.640849|2.387150|4.434196|3.673603|7.006787|3.526882|4.819270|0.112304|2.833160|2.725711|3.765664|3.073771|5.182114|3.542370|0.085819|4.546458|4.286833|7.046964|9.744818|6.207593|6.171307|8.914487|5.634008|4.951143|5.643236|8.901151|17.724642|3.278141|0.040178|0.037910|0.038318|0.043216|0.045922|0.048870|0.045636|0.071931|0.091538|0.070219|0.060156|0.083690|0.082075|0.108918|0.075916|0.070850|0.080896|0.065725|0.070034|0.195358|0.127394|0.172380|0.124224|0.107514|0.124111|0.214997|0.500000| |1.316667|1.470365|1.521572|3.047491|1.784378|2.956180|2.065769|2.155169|2.511670|2.888191|2.688927|2.262784|4.907117|3.917861|5.978473|5.385840|6.498327|0.113844|3.767413|3.160526|4.613455|4.220328|7.196791|5.828870|0.201010|6.378394|8.821090|8.152477|6.184946|4.572866|3.434263|3.473145|3.097696|2.553697|2.349798|2.503508|3.012347|17.522199|0.035779|0.035610|0.035229|0.041502|0.042406|0.041328|0.040488|0.054794|0.070293|0.080274|0.059127|0.110022|0.148666|0.193181|0.092851|0.110642|0.080346|0.077569|0.082443|0.089406|0.091622|0.084039|0.090756|0.065228|0.057833|0.063359|0.085989|0.500000| |1.237338|1.369034|1.411279|2.792126|1.627297|2.718177|1.848804|1.919201|2.183186|2.437999|2.302289|1.997696|3.924607|3.090194|4.960205|3.825962|4.921100|0.092243|2.943472|2.635703|3.936118|3.585644|6.553094|4.448270|0.136639|5.482061|8.988206|10.267223|6.767159|4.425411|3.283742|3.908927|3.666615|2.958461|2.624826|2.711816|3.228696|17.624126|0.033861|0.033554|0.033019|0.038333|0.039660|0.038687|0.037448|0.049453|0.061209|0.067810|0.052731|0.085347|0.101660|0.130980|0.073658|0.083955|0.068784|0.065366|0.072763|0.083815|0.085286|0.084061|0.111956|0.076270|0.064147|0.067162|0.088004|0.301683|0.500000| |1.180090|1.301963|1.348025|2.661938|1.560989|2.623034|1.773568|1.862713|2.135230|2.361347|2.190677|1.898726|3.858788|3.148773|5.104979|4.107329|5.706735|0.102351|3.468148|3.128670|4.905612|4.739499|8.990042|5.777819|0.196424|6.375077|8.890377|8.299299|6.273535|4.621250|3.472216|3.528882|3.314011|2.682693|2.384140|2.462489|2.924445|17.556795|0.032194|0.031947|0.031721|0.036627|0.037357|0.036803|0.036102|0.048272|0.060778|0.063940|0.049814|0.083063|0.111655|0.133090|0.083191|0.102127|0.078835|0.077225|0.090030|0.086080|0.094789|0.087274|0.102482|0.069705|0.058625|0.061383|0.080392|0.301289|0.301326|0.500000| 1610.559425 -11103.302484 4417.048433 -217.829705 -5293.524331 3680.906128 -1612.618203 2.001278 408B00000000002F 4535B725ABFDEE12 44B54CA66BE2818A 4240DDA87C800003 37E282E87638A880 44220392204DDB65