Version2.0 2020-02-02T08:19:05Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCCCN([C@@H](C1CCCCC1)C(=O)NCS(=O)(=O)c2ccc(cc2)C)C(=O)C3CCCCC3 C36508287 RHF 6-31G(d) (6D,7F) CCCCCCN([C@@H](C1CCCCC1)C(=O)NCS(=O)(=O)c2ccc(cc2)C)C(=O)C3CCCCC3 C01[X(C29H46N2O4S1)] 240 C1 636 CCCCCCN(C(=O)C1CCCCC1)[C@H](C(=O)NCS(=O)(=O)c1ccc(cc1)C)C1CCCCC1 CCCCCCN(C(=O)C1CCCCC1)[C@H](C(=O)NCS(=O)(=O)c1ccc(cc1)C)C1CCCCC1 CCCCCCN([C@@H](C1CCCCC1)C(=O)NC[S](=O)(=O)c2ccc(C)cc2)C(=O)C3CCCCC3 InChIKey=GDXSNRYYKATLEA-MHZLTWQESA-N InChI=1S/C29H46N2O4S/c1-3-4-5-12-21-31(29(33)25-15-10-7-11-16-25)27(24-13-8-6-9-14-24)28(32)30-22-36(34,35)26-19-17-23(2)18-20-26/h17-20,24-25,27H,3-16,21-22H2,1-2H3,(H,30,32)/t27-/m0/s1 InChI=1/C29H46N2O4S/c1-3-4-5-12-21-31(29(33)25-15-10-7-11-16-25)27(24-13-8-6-9-14-24)28(32)30-22-36(34,35)26-19-17-23(2)18-20-26/h17-20,24-25,27H,3-16,21-22H2,1-2H3,(H,30,32)/t27-/m0/s1/f/h30H CCCCCCN([C@@H](C1CCCCC1)C(=O)NCS(=O)(=O)c2ccc(cc2)C)C(=O)C3CCCCC3 C01[X(C29H46N2O4S1)] 240 C01 636 CCCCCCN(C(=O)C1CCCCC1)[C@H](C(=O)NCS(=O)(=O)c1ccc(cc1)C)C1CCCCC1 CCCCCCN(C(=O)C1CCCCC1)[C@H](C(=O)NCS(c1ccc(cc1)C)(O)O)C1CCCCC1 CCCCCCN([C@@H](C1CCCCC1)C(=O)NC[S](O)(O)c2ccc(C)cc2)C(=O)C3CCCCC3 InChIKey=HWUZWDHSPQIBRJ-MHZLTWQESA-N InChI=1S/C29H48N2O4S/c1-3-4-5-12-21-31(29(33)25-15-10-7-11-16-25)27(24-13-8-6-9-14-24)28(32)30-22-36(34,35)26-19-17-23(2)18-20-26/h17-20,24-25,27,34-35H,3-16,21-22H2,1-2H3,(H,30,32)/t27-/m0/s1 InChI=1/C29H48N2O4S/c1-3-4-5-12-21-31(29(33)25-15-10-7-11-16-25)27(24-13-8-6-9-14-24)28(32)30-22-36(34,35)26-19-17-23(2)18-20-26/h17-20,24-25,27,34-35H,3-16,21-22H2,1-2H3,(H,30,32)/t27-/m0/s1/f/h30H 4415.9505134210 -1930.809129 1-A 23203.1492 141 495 636 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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 1.00783 15970.6517 28212.5636 36656.0547 0.99981 0.01814 0.00689 -0.01808 0.99980 -0.00909 -0.00706 0.00896 0.99993 1 0.00542 0.00307 0.00236 0.11300 0.06397 0.04923 13.09 16.77 26.78 31.43 32.03 36.24 48.26 53.45 67.17 74.23 78.37 88.98 95.41 112.27 118.58 148.40 161.10 173.39 179.61 207.21 231.79 244.66 253.61 263.21 274.74 287.23 344.14 352.24 365.85 377.91 379.74 386.68 396.97 412.94 434.01 462.88 495.76 503.00 507.18 524.74 529.38 568.23 593.11 627.18 654.67 660.93 675.04 680.38 687.98 691.70 708.84 723.72 733.63 745.14 758.46 807.60 814.03 854.97 898.11 932.41 983.37 1000.89 1082.56 1121.05 1125.67 1133.74 1147.51 1164.22 1184.36 1229.12 1233.98 1242.92 1245.34 1249.32 1266.51 1277.05 1283.96 1321.89 1336.13 1358.51 1371.84 1380.81 1388.77 1392.56 1402.28 1407.15 1409.89 1439.00 1458.05 1460.18 1519.29 1548.39 1567.86 1576.42 1581.62 1582.88 1600.61 1604.63 1605.88 1607.04 1610.57 1616.35 1618.93 1637.27 1642.78 1649.21 1660.38 1688.45 1689.39 1690.72 1703.94 1711.91 1717.32 1718.04 1728.61 1754.77 1775.89 1797.28 1801.62 1809.18 1851.16 1883.22 1889.28 1893.64 1895.72 1900.77 1911.82 1915.09 1921.91 1967.72 1972.83 1983.31 1986.51 2011.47 2018.50 2027.93 2036.95 2037.57 2053.66 2065.65 2073.22 2092.27 2095.77 2097.04 2100.75 2110.97 2117.89 2124.14 2139.80 2156.86 2159.62 2167.26 2182.23 2184.79 2188.93 2196.50 2199.38 2200.55 2206.47 2209.92 2230.27 2242.99 2245.73 2252.22 2255.44 2255.65 2265.78 2299.63 2316.19 2345.41 2347.55 2349.18 2350.74 2352.68 2353.45 2354.09 2354.58 2358.31 2359.04 2363.18 2365.24 2366.37 2370.96 2373.61 2385.62 2389.39 2391.88 2411.54 2414.18 2452.01 2540.64 2599.51 2765.57 2856.78 4524.61 4548.56 4558.75 4574.07 4575.82 4577.18 4579.81 4586.69 4588.38 4593.43 4595.66 4596.50 4599.98 4602.61 4610.67 4618.16 4625.10 4636.51 4639.20 4643.06 4646.52 4648.13 4648.91 4652.81 4654.29 4657.20 4659.42 4663.87 4682.46 4689.23 4692.80 4693.77 4696.06 4699.55 4701.09 4723.47 4734.58 4743.38 4761.99 4776.00 4823.55 4844.59 4849.45 4897.92 4906.18 5611.63 0.776378 0.812487 0.813431 0.700750 -1930.032751 -1929.996642 -1929.995698 -1930.108379 3.779339D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE CCCCCCN([C@@H](C1CCCCC1)C(=O)NCS(=O)(=O)c2ccc(cc2)C)C(=O)C3CCCCC3 C36508287 RHF 6-31G(d) (6D,10F) C1 518.317830 |X|Y|Z| 84.945280 116.941573 48.084428 78.169538 25 6 7 16 22 2 1 |36.858105| |12.464828|36.858105| |7.474433|12.453942|36.858105| |4.860911|7.456993|12.450887|36.858105| |3.737394|4.860792|7.474850|12.450894|36.858105| |2.966619|3.740546|4.873563|7.505054|12.449492|36.858105| |2.498858|2.979359|3.753622|4.925130|7.535369|13.025559|53.358707| |2.338651|2.721711|3.370470|4.153280|5.894550|7.697113|17.756623|36.858105| |2.462394|2.906175|3.578570|4.497670|6.114356|7.856821|12.745904|17.556432|0.500000| 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|8.859964|17.503719|8.849740|6.862344|4.524342|3.655441|3.948495|2.587940|0.075846|2.161342|1.967913|1.718623|1.701175|1.820820|2.125919|2.546473|4.527291|3.279766|2.282207|17.771097|3.953681|5.463917|2.329871|2.000650|1.870427|1.970485|2.284080|2.540523|1.780746|2.631240|4.026011|2.813765|2.515311|2.498125|2.326993|2.548042|2.571509|0.210783|0.212629|0.172962|0.303946|0.500000| |6.882808|8.861235|17.503762|8.866687|6.852485|4.539607|4.976053|3.224146|0.091684|2.557209|2.289230|1.945261|1.870967|2.007983|2.393194|3.383561|6.289787|4.244997|2.999037|23.434616|5.120598|7.741382|2.818953|2.350180|2.110299|2.161007|2.511832|2.956490|1.889635|3.314213|4.978637|3.514709|3.208394|3.059486|2.656978|2.813203|2.933946|0.204106|0.140499|0.169643|0.173720|0.211453|0.500000| |6.863200|8.846122|17.521333|8.859768|6.918363|4.553839|4.994478|3.467390|0.103648|2.709252|2.499722|2.086001|1.984639|2.084219|2.496417|3.695348|6.500820|4.920133|3.484399|29.518639|6.130136|10.720055|3.605226|2.874645|2.556803|2.654721|3.202877|3.921000|2.264167|3.141291|4.797984|3.095196|2.776928|2.558154|2.275846|2.434562|2.625822|0.168798|0.140300|0.203819|0.211496|0.173539|0.304350|0.500000| |4.539834|6.887800|8.855242|17.480896|8.845578|6.895321|6.261566|4.086779|0.129855|3.161640|2.814830|2.340900|2.315906|2.497858|3.101504|3.757878|6.211455|4.772982|3.065721|23.275654|4.779337|7.369031|3.134340|2.560936|2.383123|2.580863|3.171499|3.645961|2.266957|3.665918|5.369734|3.590668|2.941628|2.688385|2.508534|2.867319|3.188796|0.111402|0.108775|0.119552|0.207668|0.172353|0.173761|0.210660|0.500000| |4.527880|6.831696|8.850585|17.484992|8.832829|6.903105|6.272048|3.726211|0.108889|2.940122|2.533094|2.153370|2.145571|2.375664|2.919294|3.454704|6.072192|4.172275|2.733630|20.012585|4.269197|6.185628|2.583874|2.174913|2.013275|2.123412|2.499711|2.839454|1.892646|3.977846|5.660774|4.328872|3.493379|3.307123|3.060860|3.561680|3.809530|0.119715|0.108325|0.111141|0.169789|0.206211|0.212621|0.173677|0.303840|0.500000| |3.648057|4.519159|6.858366|8.828115|17.544085|8.858824|9.373706|5.250617|0.139212|3.733340|3.086681|2.517939|2.397496|2.664151|3.368402|5.414724|10.446679|5.880322|3.797407|26.086671|5.419334|8.284467|3.059129|2.519900|2.237189|2.277251|2.654642|3.177448|1.969591|5.945740|7.985202|6.069647|4.969131|4.146644|3.445926|3.744144|4.329261|0.102574|0.085391|0.097585|0.111824|0.119623|0.206183|0.172815|0.173334|0.210245|0.500000| |3.663581|4.551446|6.889008|8.876366|17.559690|8.820591|9.289844|6.388970|0.192501|4.203199|3.628410|2.824923|2.636648|2.834170|3.647779|6.805713|11.109569|7.991065|4.848663|34.744569|6.572432|11.993163|4.103252|3.174563|2.775004|2.865940|3.498353|4.443516|2.398722|5.016123|7.202553|4.409390|3.669423|3.084792|2.708551|2.961751|3.475168|0.097428|0.085814|0.103331|0.121249|0.112190|0.170750|0.209560|0.211941|0.173704|0.305560|0.500000| |2.884444|3.653288|4.537194|6.869768|8.854576|17.554519|12.578192|7.368693|0.251192|5.166210|4.109351|3.245528|3.269834|3.735530|5.278710|5.254358|7.982662|6.030607|3.458885|23.128527|4.675188|6.710466|3.133225|2.597270|2.420143|2.599063|3.134808|3.563994|2.284544|5.792745|7.952442|4.901226|3.607459|3.052221|2.899730|3.450087|4.335537|0.075715|0.071857|0.078241|0.103757|0.098178|0.112004|0.120741|0.207319|0.171134|0.173833|0.211795|0.500000| |2.890876|3.664059|4.554847|6.932864|8.837390|17.642274|12.457565|5.680061|0.156081|4.315850|3.344532|2.786699|2.831477|3.351480|4.490183|4.477834|7.627634|4.917069|2.991109|19.886044|4.186868|5.773991|2.582713|2.196267|2.036006|2.135926|2.486030|2.803502|1.905607|7.198890|8.889555|7.429230|4.750020|4.032109|3.842755|4.892983|6.411918|0.078347|0.071986|0.075945|0.098510|0.103973|0.120798|0.112663|0.173358|0.209638|0.209527|0.173426|0.307462|0.500000| |1.864717|2.098684|2.474467|2.881216|3.660785|4.469490|9.019069|8.833231|0.175664|17.655758|8.902168|6.830253|5.672342|6.828271|8.904321|6.765738|10.244284|7.130367|3.971947|21.447833|4.596968|5.294924|2.825465|2.538638|2.333495|2.335095|2.552211|2.831549|2.068565|6.545131|14.915099|4.331588|3.782898|2.922871|2.749942|2.944421|3.830654|0.051085|0.047407|0.052039|0.057754|0.056499|0.067619|0.069868|0.078485|0.075696|0.098739|0.104763|0.119205|0.109297|0.500000| |1.846352|2.041789|2.382522|2.667677|3.259084|3.605397|6.101888|6.696030|0.171812|8.761330|17.574386|8.921811|5.510247|4.857378|5.499626|6.687844|8.999190|10.047744|5.346159|26.870618|5.629499|6.072575|3.790631|3.477382|3.177969|3.115330|3.333844|3.687976|2.675292|3.929094|7.536245|2.992538|2.713707|2.233329|2.085160|2.204808|2.664162|0.049913|0.047009|0.052793|0.057192|0.053633|0.063758|0.070053|0.074947|0.067654|0.085125|0.100773|0.102766|0.085718|0.214817|0.500000| |1.917347|2.161013|2.490914|2.872423|3.419241|3.957404|6.315194|6.839117|0.214301|8.774676|17.438682|8.859190|6.766541|5.667294|6.797362|5.511588|7.377115|8.070381|4.282039|24.634089|5.054889|5.854141|3.742490|3.360549|3.229261|3.392934|3.781191|4.003610|2.963854|3.789121|6.815705|2.940035|2.552785|2.143761|2.045926|2.230166|2.704404|0.051035|0.049103|0.054588|0.061796|0.056834|0.064948|0.072735|0.083848|0.072719|0.085233|0.104525|0.121966|0.093496|0.173812|0.302030|0.500000| |1.545439|1.700158|1.927571|2.160950|2.541158|2.906780|4.873731|4.466460|0.112817|6.766145|8.868967|17.508384|8.868154|6.834032|5.695121|4.012766|6.231294|5.286647|3.241217|18.183816|4.048000|4.271357|2.566734|2.452340|2.345355|2.332829|2.429133|2.549882|2.132191|3.455132|7.067722|2.729932|2.514907|2.106335|2.037935|2.150184|2.590179|0.042062|0.039948|0.043544|0.047537|0.045659|0.052180|0.055077|0.060556|0.056951|0.067823|0.073953|0.082335|0.073641|0.201820|0.217817|0.173999|0.500000| |1.544382|1.695236|1.901476|2.116910|2.432921|2.731714|4.334352|4.033109|0.111006|5.471227|8.844031|17.529707|8.810045|5.507940|4.853445|3.664458|5.528377|5.242491|3.236807|18.772927|4.151406|4.337062|2.809433|2.739269|2.705099|2.730040|2.795959|2.834721|2.523864|2.920728|5.608743|2.373801|2.165724|1.854386|1.795793|1.910692|2.257220|0.041598|0.040086|0.043859|0.048054|0.045161|0.050706|0.054944|0.060588|0.055187|0.063561|0.072039|0.080104|0.068584|0.140247|0.215798|0.215830|0.303495|0.500000| |1.436763|1.590095|1.757863|1.990012|2.246280|2.622095|4.125920|3.489947|0.094780|4.792791|5.478050|8.824891|17.533434|8.808789|5.482530|2.960235|4.656551|3.911151|2.441696|14.806245|3.309294|3.579029|2.160973|2.072168|2.057319|2.123199|2.216105|2.236060|2.019927|2.886949|5.576824|2.404984|2.164087|1.879307|1.884712|2.040401|2.420824|0.038801|0.037615|0.040159|0.045039|0.043174|0.047051|0.049532|0.056948|0.053375|0.058961|0.063765|0.076981|0.068665|0.127066|0.123831|0.139125|0.215115|0.211406|0.500000| |1.598163|1.791582|1.986624|2.286230|2.576948|3.060308|4.713407|4.128197|0.119417|5.592554|6.753004|8.854968|17.488342|8.851842|6.767755|3.332303|5.037762|4.478184|2.700818|16.608791|3.619931|4.051254|2.489442|2.344462|2.349105|2.493924|2.665526|2.661360|2.361032|3.098410|5.716488|2.547862|2.224747|1.926874|1.919815|2.118033|2.535590|0.042707|0.041745|0.044773|0.051358|0.048341|0.052295|0.056222|0.066831|0.060611|0.065770|0.073796|0.093789|0.078534|0.131190|0.139514|0.198900|0.173843|0.214433|0.303209|0.500000| |1.570869|1.759794|1.983851|2.297559|2.685708|3.292531|5.599135|4.493020|0.111807|6.759462|5.679710|6.825948|8.859667|17.509369|8.868225|3.576780|5.748940|4.315087|2.627607|15.571238|3.450218|3.864148|2.161600|2.010715|1.932113|1.975121|2.115969|2.222602|1.830622|4.178672|8.632818|3.315547|2.915329|2.440493|2.469415|2.705063|3.399943|0.042835|0.040772|0.043435|0.049077|0.048244|0.053814|0.055026|0.064198|0.062475|0.071680|0.074165|0.092846|0.087517|0.201557|0.127451|0.131292|0.201423|0.139788|0.214686|0.173745|0.500000| |1.586923|1.795731|1.992784|2.340034|2.650802|3.310685|5.233338|4.068095|0.109536|5.471036|4.845531|5.510003|8.816022|17.531487|8.845786|3.152353|4.996659|3.903655|2.380451|14.692706|3.235405|3.701450|2.093218|1.940458|1.899509|1.989686|2.152774|2.215434|1.873276|3.679461|6.902465|3.060135|2.607645|2.254130|2.327636|2.637655|3.261432|0.042851|0.041485|0.043687|0.050759|0.049487|0.053235|0.054880|0.066954|0.064149|0.068977|0.072392|0.097965|0.089631|0.140190|0.106884|0.126828|0.139911|0.123275|0.211006|0.214621|0.303475|0.500000| |1.967696|2.289565|2.618612|3.224372|3.805631|5.167150|8.238264|6.968856|0.208789|8.823528|6.829002|5.696332|6.791130|8.856913|17.458124|4.525015|6.617942|5.485880|3.098730|19.079318|4.012221|4.920169|2.735899|2.427904|2.343929|2.504377|2.842681|3.002335|2.280519|4.828903|8.206109|3.722810|2.978790|2.502034|2.486861|2.874907|3.680992|0.052464|0.050686|0.054399|0.065356|0.062126|0.068240|0.072677|0.094587|0.085579|0.093434|0.105291|0.168223|0.128974|0.174248|0.139574|0.200790|0.131836|0.127333|0.139316|0.199737|0.173904|0.215278|0.500000| |1.925468|2.232044|2.579385|3.177667|3.870584|5.461127|10.048738|6.920179|0.167894|8.821098|5.511625|4.861908|5.506315|8.878217|17.624226|4.558218|7.150412|5.068951|2.941593|17.770900|3.811174|4.627857|2.422195|2.159750|2.046025|2.128321|2.376477|2.564403|1.935329|6.889215|12.173695|4.965905|3.799393|3.070968|3.099891|3.650042|5.113606|0.052255|0.049434|0.052629|0.062127|0.061549|0.069253|0.070161|0.088588|0.087078|0.100156|0.102260|0.153923|0.145650|0.215142|0.123179|0.139522|0.127500|0.106971|0.123508|0.139615|0.216212|0.214451|0.303193|0.500000| |2.284415|2.547691|3.074659|3.407594|4.261621|4.314611|6.661355|7.411326|0.228698|6.067425|7.087130|4.612165|3.704442|3.538322|4.352133|9.287838|10.869992|26.102074|9.121647|44.387717|7.933932|9.791698|6.288563|4.942331|4.169634|4.110472|4.796775|6.117651|3.229952|3.908772|6.758392|3.071593|2.743560|2.281712|2.083433|2.215486|2.633180|0.060935|0.057092|0.066623|0.071794|0.064898|0.080269|0.094648|0.096701|0.081881|0.106590|0.146629|0.124781|0.096702|0.141675|0.236832|0.213913|0.114540|0.121620|0.086524|0.103218|0.090969|0.084402|0.122767|0.105368|0.500000| |2.091822|2.216336|2.623871|2.690617|3.213372|3.039351|4.601644|4.251180|0.115442|3.833851|4.296247|3.410769|2.751947|2.619699|2.961454|5.917208|9.460713|12.373822|17.596400|57.687654|12.358850|9.643393|6.449729|5.893366|4.356845|3.715286|3.853379|4.797067|2.926276|3.041265|5.476515|2.544822|2.447713|2.076340|1.861298|1.902022|2.176489|0.057005|0.052391|0.061992|0.061105|0.056376|0.071313|0.081708|0.073627|0.066045|0.087064|0.106540|0.083135|0.072427|0.103345|0.151775|0.116083|0.092425|0.094435|0.068382|0.074515|0.071039|0.063951|0.080243|0.075521|0.215694|0.500000| |2.349581|2.497379|3.074900|3.120206|3.906700|3.515872|5.378346|4.714328|0.121080|3.897267|3.881700|3.068538|2.571311|2.576180|3.002306|7.575457|14.580031|12.634611|17.648931|58.084227|12.168616|11.673637|5.094939|4.275433|3.332189|3.013868|3.271431|4.153456|2.446989|3.623934|6.405546|3.042147|2.986194|2.479084|2.149447|2.168421|2.485732|0.065175|0.057775|0.069194|0.067056|0.063448|0.086109|0.095860|0.081939|0.076032|0.111044|0.131492|0.091374|0.083014|0.108149|0.128725|0.102362|0.084855|0.081258|0.063789|0.068884|0.070841|0.063246|0.080127|0.079472|0.179921|0.299779|0.500000| |2.031865|2.080363|2.333605|2.291127|2.503842|2.325333|3.255690|2.795442|0.081501|2.577870|2.899773|2.498107|2.149200|2.008983|2.200263|3.292838|5.385766|5.816657|5.370063|47.259873|12.983229|8.115168|8.906580|17.742023|8.913749|5.621023|4.954353|5.636763|4.092458|2.149407|3.769830|1.903267|1.821759|1.620553|1.484538|1.526541|1.692278|0.054320|0.051831|0.061943|0.058766|0.052201|0.062001|0.073952|0.064717|0.056410|0.066432|0.081086|0.065871|0.057119|0.067791|0.091625|0.084619|0.065945|0.072282|0.054816|0.060583|0.053551|0.050947|0.062196|0.056592|0.122217|0.174042|0.122745|0.500000| |1.803288|1.857517|2.012417|2.010370|2.129269|2.042837|2.818962|2.396579|0.071621|2.296187|2.646159|2.378872|2.101129|1.914291|2.045224|2.609385|4.195891|4.364441|3.474540|27.854455|6.841534|5.719128|5.661365|8.961765|17.710210|8.899286|5.652724|4.952699|7.024123|1.855863|3.253856|1.656445|1.564478|1.410129|1.320045|1.373048|1.515239|0.047542|0.047016|0.054442|0.053694|0.047094|0.052629|0.062367|0.058348|0.050236|0.055519|0.066972|0.059492|0.050967|0.059462|0.079997|0.079991|0.061429|0.070968|0.054240|0.060817|0.050285|0.049294|0.059041|0.052093|0.097598|0.106751|0.082297|0.215598|0.500000| |2.404417|2.628909|2.824343|2.944864|2.980181|2.878948|3.692143|3.105108|0.102485|2.808867|3.093966|2.633619|2.471879|2.321589|2.618879|3.092032|4.737736|4.960663|3.391418|27.832118|5.735526|6.891544|5.662382|4.952039|5.650781|8.913329|17.715626|8.946838|6.990337|2.280424|3.810293|2.032812|1.822961|1.641958|1.555039|1.677523|1.873954|0.060629|0.062519|0.072191|0.080597|0.065452|0.069269|0.088080|0.092566|0.071417|0.072426|0.094614|0.090065|0.070442|0.068484|0.085953|0.101859|0.065020|0.074868|0.061477|0.075166|0.058453|0.060871|0.081011|0.066553|0.117452|0.090714|0.080239|0.107548|0.124131|0.500000| |3.048817|3.413049|4.017406|4.141944|4.410133|3.896735|4.891799|4.171662|0.140437|3.381505|3.524665|2.799066|2.551626|2.497336|2.971987|4.480465|6.716261|7.530986|5.086579|47.269070|8.185863|13.326108|8.930784|5.638122|4.956053|5.621761|8.890734|17.749320|4.083036|2.908215|4.728075|2.553204|2.273793|2.005927|1.846951|1.984810|2.246117|0.077072|0.075465|0.093247|0.101749|0.081814|0.096525|0.135433|0.127350|0.093683|0.103912|0.156742|0.118588|0.090197|0.082253|0.100973|0.112019|0.070473|0.076431|0.062326|0.074730|0.063789|0.064080|0.089825|0.076836|0.170641|0.122527|0.116389|0.124179|0.107570|0.215093|0.500000| |1.829807|1.894358|1.976369|1.982672|2.009564|1.945049|2.588284|2.133729|0.065473|2.038108|2.282839|2.084869|1.942542|1.786614|1.906489|2.194884|3.525162|3.473899|2.575535|20.800376|4.868803|4.791363|3.992440|4.540115|6.512267|8.871902|6.072351|4.378461|17.541913|1.689052|2.909592|1.535251|1.426595|1.306251|1.242024|1.310760|1.433504|0.047228|0.048681|0.055055|0.056400|0.048123|0.050583|0.060469|0.059301|0.049920|0.051437|0.061805|0.058069|0.049252|0.051957|0.065276|0.070917|0.053003|0.061413|0.050319|0.057874|0.046183|0.047175|0.056635|0.048921|0.078306|0.073684|0.062917|0.106425|0.179719|0.159702|0.101713|0.500000| |1.867819|1.984313|2.082167|2.149958|2.186520|2.166310|2.875014|2.397162|0.075283|2.310788|2.624449|2.389036|2.254843|2.049069|2.192020|2.387969|3.753364|3.763042|2.661818|20.706020|4.636273|4.869716|3.968776|4.175424|5.588474|8.836786|7.201198|4.733804|17.587529|1.847160|3.170113|1.661434|1.519624|1.383133|1.324215|1.413923|1.561935|0.047978|0.049589|0.055470|0.059674|0.050679|0.052735|0.063114|0.065480|0.054109|0.055046|0.067063|0.066161|0.054599|0.057756|0.073294|0.084288|0.059368|0.070614|0.057827|0.068834|0.052048|0.054244|0.066501|0.055512|0.087446|0.075192|0.064419|0.096074|0.141342|0.219544|0.112395|0.301850|0.500000| |1.692924|1.775777|1.884073|1.930830|2.004960|1.985295|2.703853|2.279979|0.069766|2.240818|2.605571|2.414197|2.216630|1.981334|2.083069|2.329349|3.689839|3.730867|2.722463|20.737148|4.805637|4.651788|3.974316|4.665478|6.943994|8.846955|5.734181|4.234772|17.566352|1.765490|3.080402|1.580162|1.466532|1.330478|1.268467|1.339145|1.479092|0.044127|0.044783|0.050308|0.052362|0.045543|0.048583|0.057141|0.057456|0.048821|0.051383|0.061656|0.059420|0.050062|0.056928|0.074817|0.081754|0.060678|0.073079|0.057518|0.066459|0.051004|0.051894|0.061725|0.052560|0.086113|0.079948|0.065675|0.110196|0.203425|0.146519|0.097649|0.302194|0.301421|0.500000| |2.706542|3.233625|4.032353|5.112570|6.639645|7.602140|9.854863|4.720591|0.116698|3.775187|2.942549|2.515315|2.488713|2.932600|3.683736|4.263121|8.243789|4.532347|2.896741|18.814306|4.098567|5.388713|2.330193|2.016167|1.841334|1.877575|2.124223|2.411097|1.675389|8.795372|10.520700|17.602941|8.950402|6.943346|5.754117|6.880700|8.877969|0.076880|0.067071|0.070893|0.082711|0.092691|0.119475|0.100221|0.118129|0.155379|0.224411|0.141290|0.149898|0.259306|0.104791|0.078417|0.078550|0.069224|0.062059|0.061809|0.066789|0.081086|0.077367|0.097567|0.120137|0.085028|0.070244|0.084742|0.053757|0.046675|0.058761|0.075292|0.043721|0.047208|0.044467|0.500000| |2.313875|2.573464|3.146080|3.476303|4.411120|4.420277|6.939498|4.066455|0.095722|3.464578|2.794405|2.430735|2.306702|2.640586|3.126991|4.258525|9.479728|4.511784|3.052305|18.943247|4.289923|5.197683|2.248396|1.985507|1.782457|1.763221|1.941336|2.215674|1.566683|6.953023|11.222166|8.827428|17.547687|8.804641|5.484196|4.829309|5.492192|0.067344|0.057511|0.062271|0.065619|0.071649|0.096697|0.083290|0.083330|0.097481|0.153787|0.110892|0.098650|0.123551|0.104393|0.078078|0.071773|0.069596|0.060399|0.058339|0.060288|0.076360|0.067895|0.079348|0.096985|0.081229|0.074727|0.095070|0.054398|0.045707|0.052383|0.066911|0.041051|0.043382|0.042077|0.215783|0.500000| |1.966067|2.187182|2.572594|2.900392|3.541730|3.904916|6.433236|3.823566|0.089278|3.567332|2.820696|2.545776|2.470670|2.924899|3.365479|3.707613|7.628929|3.998150|2.652657|16.248376|3.699281|4.325415|2.005219|1.803521|1.647223|1.638002|1.785615|1.992320|1.476330|7.078089|13.506735|8.867030|17.584597|8.827717|6.782008|5.680140|6.829721|0.056406|0.049838|0.052903|0.057043|0.061514|0.076237|0.068242|0.072437|0.082698|0.112337|0.089831|0.090860|0.112871|0.111896|0.077023|0.071107|0.074307|0.062323|0.063129|0.063344|0.087556|0.075670|0.082552|0.108182|0.074224|0.066970|0.080166|0.049345|0.042588|0.048541|0.059400|0.038554|0.041100|0.039994|0.175178|0.304042|0.500000| |2.405086|2.685453|3.120537|3.410932|3.807053|3.777652|5.117811|2.991649|0.075637|2.618712|2.185953|1.957564|1.929272|2.205527|2.548998|2.946446|5.912547|3.356434|2.297310|15.246725|3.496090|4.260378|1.877649|1.671913|1.532092|1.539128|1.696205|1.894814|1.392244|4.523859|7.008385|6.793450|8.829996|17.488360|8.850339|6.775659|5.659066|0.071234|0.060700|0.062416|0.067261|0.078664|0.097894|0.078200|0.080999|0.104115|0.127954|0.090863|0.087069|0.117127|0.075441|0.059753|0.058024|0.055084|0.049404|0.049496|0.051487|0.062678|0.059024|0.067188|0.079904|0.062994|0.057295|0.068836|0.045474|0.039492|0.046631|0.057548|0.036850|0.038909|0.037201|0.205266|0.213835|0.173358|0.500000| |2.012058|2.189709|2.506559|2.691266|3.045293|3.090829|4.471790|2.742172|0.068186|2.505813|2.110961|1.928277|1.887519|2.152038|2.415294|2.747439|5.586457|3.150571|2.184506|14.166996|3.306178|3.837308|1.745595|1.579329|1.447931|1.439847|1.563512|1.734812|1.307728|4.093255|6.975293|5.493413|8.841999|17.534937|8.819020|5.492041|4.839181|0.059263|0.051307|0.053227|0.055853|0.062935|0.077007|0.065038|0.066076|0.079124|0.098879|0.076328|0.073399|0.092013|0.074514|0.058215|0.055062|0.055333|0.048668|0.048997|0.049642|0.062648|0.057278|0.062309|0.075135|0.059004|0.055407|0.066143|0.043415|0.037639|0.042684|0.051768|0.034606|0.036367|0.035251|0.141709|0.212319|0.214000|0.303631|0.500000| |1.919634|2.124076|2.339174|2.578460|2.762973|2.931601|4.036741|2.446301|0.062675|2.281774|1.928530|1.792639|1.817422|2.101990|2.331358|2.318325|4.450442|2.712872|1.848426|12.240813|2.833611|3.327567|1.561221|1.417455|1.323394|1.337457|1.456689|1.586951|1.232125|3.531584|5.843261|4.825543|5.484143|8.806342|17.530012|8.820521|5.486449|0.055784|0.049914|0.049947|0.054869|0.062872|0.069904|0.059402|0.064665|0.079172|0.085013|0.067771|0.071568|0.092504|0.066064|0.051883|0.051149|0.050727|0.045290|0.047477|0.048355|0.060454|0.057777|0.061240|0.073941|0.052256|0.047293|0.054212|0.038535|0.034452|0.040419|0.047528|0.032642|0.034644|0.033163|0.128681|0.123035|0.139161|0.214797|0.211469|0.500000| |1.791806|1.986966|2.224776|2.490524|2.781119|3.066607|4.497555|2.725491|0.068050|2.615897|2.166366|2.031048|2.061201|2.434658|2.679024|2.550114|4.909154|2.933006|1.973997|12.709211|2.930814|3.401466|1.621640|1.476852|1.377124|1.386716|1.504902|1.639735|1.275254|4.191361|7.312168|5.633836|6.786495|8.857763|17.500696|8.859692|6.772210|0.051497|0.046394|0.047339|0.051986|0.057634|0.065541|0.057612|0.063213|0.074427|0.084847|0.069229|0.074724|0.094953|0.077847|0.058020|0.056372|0.058320|0.050644|0.053893|0.053880|0.071774|0.066425|0.068317|0.086563|0.056386|0.050735|0.057998|0.040223|0.035883|0.041575|0.048816|0.033575|0.035811|0.034523|0.132526|0.139436|0.199739|0.173799|0.215084|0.303240|0.500000| |2.297469|2.675972|2.986418|3.538123|3.741396|4.194339|5.356068|3.026061|0.078804|2.718306|2.237008|2.030206|2.088701|2.462177|2.861776|2.726820|5.081740|3.142146|2.076494|13.874781|3.124922|3.863165|1.787034|1.593122|1.490813|1.530383|1.700087|1.859643|1.403608|4.515447|6.749364|6.765279|5.640786|6.772251|8.851368|17.490800|8.848385|0.065528|0.059280|0.058948|0.069356|0.080787|0.087346|0.073451|0.087799|0.115353|0.112407|0.086579|0.099895|0.147349|0.075918|0.058990|0.060341|0.056137|0.050842|0.053469|0.056425|0.068669|0.068234|0.076965|0.093460|0.061077|0.052310|0.059832|0.042650|0.038376|0.047733|0.056852|0.036981|0.039838|0.037452|0.202817|0.126182|0.131212|0.198956|0.139171|0.215181|0.173835|0.500000| |1.911498|2.181998|2.395655|2.794051|2.993918|3.469400|4.740506|2.789113|0.072102|2.654587|2.189211|2.046493|2.149442|2.583014|2.890720|2.474774|4.551099|2.878061|1.897859|12.485049|2.833125|3.389703|1.632376|1.476241|1.393547|1.429278|1.569531|1.692878|1.323851|4.090878|6.587630|5.480035|4.837236|5.489606|8.809616|17.531216|8.837233|0.054035|0.049934|0.049815|0.057820|0.064704|0.068737|0.060703|0.072146|0.087049|0.087295|0.072332|0.086362|0.115816|0.075372|0.057151|0.058417|0.057155|0.050997|0.055772|0.057438|0.073395|0.073016|0.076264|0.095928|0.056562|0.048605|0.054366|0.039634|0.036131|0.044097|0.050992|0.034802|0.037634|0.035620|0.140596|0.106516|0.127262|0.139110|0.123194|0.211448|0.215099|0.303448|0.500000| 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