Version2.0 2020-02-03T18:40:49Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 03-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@]1(Cn2c(ccc2C(=O)N1CCC[NH+](C)C3CCCCC3)c4ccco4)C(=O)NC5CCCCC5 C21863334 RHF 6-31G(d) (6D,7F) C[C@]1(Cn2c(ccc2C(=O)N1CCC[NH+](C)C3CCCCC3)c4ccco4)C(=O)NC5CCCCC5 C01[X(C29H43N4O3)] 231 C1 626 C[NH+](C1CCCCC1)CCCN1C(=O)c2ccc(n2C[C@@]1(C)C(=O)NC1CCCCC1)c1ccco1 C[NH+](C1CCCCC1)CCCN1C(=O)c2ccc(n2C[C@@]1(C)C(=O)NC1CCCCC1)c1ccco1 C[NH+](CCCN1C(=O)c2ccc(n2C[C@@]1(C)C(=O)NC3CCCCC3)c4occc4)C5CCCCC5 InChIKey=IKJJRMXDRLIWBO-LJAQVGFWSA-O InChI=1S/C29H42N4O3/c1-29(28(35)30-22-11-5-3-6-12-22)21-32-24(26-15-9-20-36-26)16-17-25(32)27(34)33(29)19-10-18-31(2)23-13-7-4-8-14-23/h9,15-17,20,22-23H,3-8,10-14,18-19,21H2,1-2H3,(H,30,35)/p+1/t29-/m0/s1 InChI=1/C29H42N4O3/c1-29(28(35)30-22-11-5-3-6-12-22)21-32-24(26-15-9-20-36-26)16-17-25(32)27(34)33(29)19-10-18-31(2)23-13-7-4-8-14-23/h9,15-17,20,22-23H,3-8,10-14,18-19,21H2,1-2H3,(H,30,35)/p+1/t29-/m0/s1/fC29H43N4O3/h30-31H/q+1 C[C@]1(Cn2c(ccc2C(=O)N1CCC[NH+](C)C3CCCCC3)c4ccco4)C(=O)NC5CCCCC5 C01[X(C29H43N4O3)] 231 C01 626 C[NH+](C1CCCCC1)CCCN1C(=O)c2ccc(n2C[C@@]1(C)C(=O)NC1CCCCC1)c1ccco1 C[NH](C1CCCCC1)CCCN1C(=O)[C@H]2CC[C@H](N2C[C@@]1(C)C(=O)NC1CCCCC1)c1ccco1 C[NH](CCCN1C(=O)[C@H]2CC[C@H](N2C[C@@]1(C)C(=O)NC3CCCCC3)c4occc4)C5CCCCC5 InChIKey=HXLXMTAQDRJNPZ-FVVBACEJSA-N InChI=1S/C29H47N4O3/c1-29(28(35)30-22-11-5-3-6-12-22)21-32-24(26-15-9-20-36-26)16-17-25(32)27(34)33(29)19-10-18-31(2)23-13-7-4-8-14-23/h9,15,20,22-25,31H,3-8,10-14,16-19,21H2,1-2H3,(H,30,35)/t24-,25+,29-/m0/s1 InChI=1/C29H47N4O3/c1-29(28(35)30-22-11-5-3-6-12-22)21-32-24(26-15-9-20-36-26)16-17-25(32)27(34)33(29)19-10-18-31(2)23-13-7-4-8-14-23/h9,15,20,22-25,31H,3-8,10-14,16-19,21H2,1-2H3,(H,30,35)/t24-,25+,29-/m0/s1/f/h30H 4070.9800254235 -1565.4319517 1-A 23684.2842 134 492 626 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.69938 -20.62419 -20.59780 -15.83221 -15.70382 -15.69503 -15.66139 -11.45109 -11.42538 -11.42523 -11.42439 -11.41547 -11.38880 -11.38380 -11.36670 -11.36274 -11.36032 -11.35837 -11.35747 -11.35049 -11.35043 -11.33457 -11.33402 -11.32990 -11.32896 -11.32149 -11.31772 -11.30852 -11.29648 -11.29244 -11.29017 -11.28854 -11.27897 -11.27864 -11.27446 -11.27361 -1.54124 -1.49478 -1.47006 -1.46907 -1.41147 -1.35565 -1.31185 -1.25107 -1.20969 -1.18708 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333.86 350.11 357.49 386.54 390.23 394.55 415.98 442.95 455.11 478.77 490.20 515.93 530.21 548.81 559.84 560.49 568.38 593.85 638.41 641.49 659.42 676.11 680.07 685.70 694.78 709.12 725.79 752.00 759.10 792.01 817.68 863.14 901.33 932.56 938.61 959.11 992.06 1055.29 1105.85 1106.31 1170.46 1198.62 1223.55 1229.44 1231.26 1243.07 1245.87 1249.81 1251.15 1299.03 1302.33 1311.85 1324.62 1354.18 1369.26 1374.88 1386.10 1392.92 1400.27 1406.87 1412.41 1430.01 1447.19 1452.77 1458.14 1464.76 1465.98 1467.43 1502.69 1536.18 1539.79 1581.19 1592.71 1595.55 1597.03 1603.00 1609.73 1622.46 1628.77 1630.76 1649.59 1657.13 1689.21 1689.88 1693.19 1707.05 1713.99 1721.81 1732.15 1735.74 1757.93 1789.81 1810.61 1833.10 1851.03 1852.08 1867.28 1873.80 1902.13 1905.63 1928.08 1932.13 1969.02 1971.89 1975.82 1987.69 2005.29 2018.05 2019.21 2026.85 2030.75 2048.70 2054.51 2082.33 2088.31 2106.33 2112.92 2125.24 2134.31 2138.94 2145.35 2160.61 2165.34 2167.31 2183.38 2190.00 2194.08 2199.56 2203.39 2205.20 2206.22 2209.53 2215.89 2239.97 2241.85 2252.55 2261.34 2268.68 2280.78 2286.71 2303.04 2310.48 2345.71 2348.79 2349.64 2353.41 2353.56 2355.33 2355.81 2359.88 2360.72 2363.44 2364.04 2369.89 2370.21 2385.20 2386.57 2390.34 2394.79 2407.89 2409.64 2450.27 2458.50 2512.07 2612.80 2690.16 2772.87 4552.93 4574.57 4575.79 4584.97 4599.59 4602.81 4603.28 4605.26 4612.79 4620.85 4644.42 4645.36 4654.18 4662.14 4666.96 4668.17 4668.65 4674.25 4683.21 4691.89 4697.44 4700.30 4701.00 4706.49 4711.10 4716.36 4719.36 4726.67 4739.67 4748.35 4796.22 4848.89 4851.39 4870.32 4881.04 4911.28 4948.28 4955.73 4972.32 4973.37 5018.88 5325.95 5641.32 0.753967 0.786254 0.787198 0.684616 -1564.677985 -1564.645698 -1564.644754 -1564.747335 3.440584D-04 MUNgauss RevisionA2.0 retrievium 03-Feb-2020 DUDE C[C@]1(Cn2c(ccc2C(=O)N1CCC[NH+](C)C3CCCCC3)c4ccco4)C(=O)NC5CCCCC5 C21863334 RHF 6-31G(d) (6D,10F) C1 495.333517 |X|Y|Z| 123.070713 78.537244 48.678725 77.777955 32 6 7 8 27 4 1 |36.858105| |12.381935|36.858105| |7.744194|12.400820|36.858105| |5.076673|7.771302|13.165084|53.358707| |3.830484|5.101018|7.488882|19.127744|36.858105| |3.198720|4.161523|5.242376|11.713706|13.826484|36.858105| |3.411672|4.597579|5.301011|11.651192|8.485331|13.565557|36.858105| |4.496589|6.759575|7.792673|18.946152|8.607025|8.567782|13.932941|36.858105| |5.083647|7.652973|6.670305|10.559862|5.304040|5.214102|7.453461|13.122155|36.858105| |4.039653|5.300106|4.697545|7.279226|4.187528|4.421991|6.373609|8.144201|15.684802|73.516695| |7.644687|12.900246|7.731366|9.298938|4.621177|4.167182|5.124733|7.914067|13.913677|15.088931|53.358707| |6.464755|7.434570|4.996143|6.107080|3.418357|3.211627|3.865544|5.119827|7.976525|12.913227|17.774595|36.858105| |5.056184|5.179338|4.115888|5.131667|3.002974|2.877517|3.433462|4.297199|6.182338|11.465708|10.319862|12.295403|36.858105| |3.650936|3.871023|3.255483|4.323825|2.645277|2.641957|3.195073|3.742656|5.166084|11.181020|7.281553|7.511603|12.470935|36.858105| |3.045330|3.141564|2.808430|3.759279|2.374170|2.391933|2.830316|3.184809|4.044031|8.520321|5.477970|4.903589|7.529981|12.593964|53.358707| |3.174978|3.273652|3.004263|4.014294|2.527542|2.535045|2.993712|3.389239|4.250944|8.748307|5.689268|4.806470|7.518126|9.309646|25.728464|0.500000| |2.829274|2.779835|2.480689|3.237942|2.070343|2.054415|2.355887|2.637252|3.222561|6.378537|4.576905|4.127212|5.972686|7.722084|17.394764|0.261032|36.858105| |2.536201|2.686407|2.467385|3.423090|2.223260|2.305295|2.740175|2.942091|3.587056|7.846678|4.578561|3.853048|4.989038|7.578350|16.907101|0.258007|7.461289|36.858105| |2.540921|2.787558|2.642025|3.802164|2.491914|2.655231|3.237222|3.375830|4.034824|9.225024|4.793015|3.752619|4.585336|6.106214|10.409466|0.213464|4.984643|12.417659|36.858105| |2.140518|2.348705|2.259763|3.301418|2.234385|2.428832|2.905057|2.890089|3.269959|7.214973|3.881453|2.975748|3.392924|4.267325|6.713791|0.133651|3.775464|7.549063|12.424708|36.858105| |1.903350|2.035080|1.968421|2.821965|1.929847|2.065481|2.387714|2.387948|2.652221|5.563064|3.267638|2.524718|2.908867|3.560641|5.910747|0.118002|3.637038|6.436791|7.528789|12.464860|36.858105| |1.905501|1.998562|1.897053|2.661337|1.799866|1.890250|2.169238|2.222830|2.517189|5.222139|3.203847|2.559637|3.013939|3.805171|6.649513|0.125056|4.355192|7.581269|6.479123|7.567150|12.463736|36.858105| |2.171308|2.248069|2.106193|2.902543|1.925887|1.990435|2.296332|2.421246|2.818718|5.846538|3.660488|3.004317|3.756643|4.935247|10.147668|0.182439|6.611624|12.444989|7.559434|6.438466|7.490091|12.399759|36.858105| |3.479063|4.241898|6.100862|10.413209|13.069048|7.495183|5.193478|5.263414|3.873401|5.693567|4.969830|2.855490|2.552030|2.251656|2.797167|0.060602|1.837436|1.923229|2.114995|1.920435|1.696572|1.595433|1.701377|36.858105| |2.854028|3.346942|4.329542|6.952866|7.459132|5.898967|4.195537|4.014001|3.122432|4.781826|4.017919|2.410768|2.174423|1.961138|2.459070|0.052813|1.631675|1.714225|1.876650|1.737281|1.549109|1.456035|1.534812|14.170465|36.858105| |2.707635|3.013784|3.834355|5.567383|5.197144|4.195564|3.279407|3.263247|2.679901|4.148071|3.566333|2.190260|2.002261|1.796977|2.275181|0.048915|1.532675|1.576504|1.703518|1.576371|1.425398|1.350572|1.427696|8.572739|13.263651|36.858105| |3.112685|3.389654|4.516315|6.118228|5.373874|4.074921|3.301150|3.445489|2.861768|4.360009|3.901212|2.372445|2.177224|1.915932|2.425873|0.052538|1.639407|1.656758|1.780649|1.624817|1.471660|1.401938|1.498099|8.771262|8.606042|14.231087|36.858105| |3.766324|4.301329|6.434380|8.814738|7.893922|5.197420|4.141463|4.495210|3.572981|5.258671|4.842372|2.820478|2.558435|2.212446|2.770600|0.060425|1.846261|1.875212|2.031973|1.827212|1.634717|1.552785|1.672283|14.108478|8.623482|8.623184|14.150437|73.516695| |7.662123|12.302247|7.639657|8.492513|4.678020|3.908035|4.171712|5.509695|5.741048|7.803658|10.225101|5.660250|3.984779|3.260265|3.623340|0.074976|2.396863|2.356510|2.429731|2.116815|1.842826|1.812523|1.997203|4.059701|3.366892|3.009219|3.258491|7.016106|36.858105| |6.700077|8.061620|6.595261|7.190471|4.338791|3.540699|3.559395|4.398418|4.312472|6.162370|7.147692|4.280613|3.277951|2.735412|3.142950|0.065247|2.123840|2.062580|2.118413|1.873622|1.656677|1.631552|1.785390|4.105211|3.494705|3.223503|3.515031|7.336278|15.838716|73.516695| |5.393824|7.669947|5.408361|7.084518|4.131993|3.747022|4.183976|5.255714|5.767483|8.349010|9.293378|5.716152|3.918578|3.388993|3.682357|0.074522|2.410860|2.442563|2.514626|2.214828|1.906669|1.876051|2.047611|3.501865|3.018778|2.655792|2.774584|5.807870|14.221373|15.102535|53.358707| 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|7.374511|8.840354|17.566175|12.465821|6.261113|4.669580|4.741994|6.560276|5.981169|7.920249|9.280491|4.756100|4.262939|3.307246|3.995877|0.089380|2.603850|2.542394|2.723054|2.300247|2.022157|1.949988|2.187512|5.398747|3.925844|3.614682|4.387775|10.959886|5.559167|8.898496|5.815170|3.305820|2.871329|2.373228|2.186046|2.362434|2.851321|0.195468|0.145155|0.214467|0.301392|0.500000| |2.723816|3.385235|4.115208|7.994196|8.744750|17.801477|8.578289|5.838874|4.084308|6.504006|4.603153|2.731043|2.494965|2.337140|2.931777|0.063143|1.869393|2.109502|2.428977|2.278358|1.959416|1.782182|1.850807|6.582779|6.024112|4.219714|3.883633|8.219628|3.263712|5.409951|4.324695|2.866382|2.921939|2.515078|2.134159|2.113140|2.337110|0.073964|0.067684|0.073138|0.107559|0.105016|0.500000| |2.990211|3.863818|4.172720|7.961772|5.799244|8.559630|17.804525|8.768934|6.489795|11.561217|6.102032|3.624766|3.306650|3.229519|3.935962|0.084110|2.376218|2.897285|3.525336|3.247877|2.604616|2.320993|2.414687|4.076932|3.502014|2.819849|2.805732|6.000491|3.579022|5.462304|5.092096|3.203979|3.413777|2.776862|2.350838|2.280461|2.595695|0.076407|0.075647|0.081346|0.099523|0.107046|0.195681|0.500000| |7.636326|7.371495|4.740976|5.482983|3.137105|2.883689|3.322359|4.272735|5.822657|9.238902|12.536804|17.722927|8.806503|5.839330|5.665871|0.112694|3.788189|3.306967|3.148346|2.575284|2.245650|2.305186|2.688547|2.715051|2.315509|2.139459|2.331478|4.860996|5.960660|8.219253|7.868470|4.206019|3.564800|2.842607|2.798549|3.082821|4.078501|0.150114|0.256759|0.197787|0.113207|0.124756|0.069035|0.085903|0.500000| |4.955459|5.879822|4.229285|5.529646|3.206813|3.116663|3.815759|4.816367|7.352805|13.576538|12.449819|17.582098|8.794916|7.639933|6.503679|0.123800|3.966330|3.972742|3.850785|3.115517|2.601100|2.640672|3.044274|2.671184|2.298215|2.070072|2.199451|4.584459|5.202436|7.040830|8.079182|4.370221|4.079033|3.131226|2.983322|3.096153|4.004658|0.108761|0.145357|0.131591|0.099463|0.109097|0.074443|0.102785|0.305751|0.500000| |5.063255|5.296881|4.534302|5.675038|3.288219|3.136847|3.755011|4.766883|6.727890|12.042780|10.425713|8.851131|17.576907|8.876826|9.669292|0.233386|5.434155|4.884289|4.840947|3.502748|2.993616|3.016050|3.747760|2.764723|2.320237|2.132899|2.341424|4.961507|3.872678|5.732783|5.006218|2.886161|2.682422|2.212599|2.100604|2.196463|2.654165|0.111645|0.130160|0.167921|0.101936|0.137410|0.074905|0.099124|0.185608|0.182658|0.500000| |5.046988|4.638002|3.722673|4.490024|2.685485|2.538145|2.923845|3.573511|4.718099|8.409901|8.028499|8.775501|17.563869|8.787705|9.030052|0.182113|6.351493|4.392310|3.870769|2.975756|2.654643|2.815429|3.534975|2.351888|2.023775|1.895800|2.074461|4.272622|3.657060|5.533865|4.790184|2.833167|2.585298|2.169043|2.129273|2.263914|2.751241|0.110533|0.145965|0.164504|0.088910|0.108780|0.061970|0.077858|0.232248|0.184394|0.303147|0.500000| |3.378912|3.494588|2.903661|3.826411|2.377226|2.368360|2.808429|3.232736|4.279913|8.888027|6.214163|6.557817|8.735617|17.607976|12.407949|0.183612|7.567155|6.511980|4.960871|3.798715|3.282302|3.638527|4.615770|2.057081|1.815073|1.673415|1.775084|3.597657|3.078530|4.646030|4.441948|2.752826|2.687862|2.266585|2.223867|2.262687|2.682648|0.078799|0.098638|0.098574|0.070715|0.080753|0.058847|0.079004|0.156423|0.200819|0.173288|0.213657|0.500000| |3.485363|3.918279|3.341321|4.633550|2.838659|2.907820|3.642716|4.212694|6.009491|14.988884|7.620392|7.167477|8.946069|17.754049|12.319187|0.210204|5.681725|7.589051|7.129134|4.910334|3.810927|3.884278|4.735654|2.365575|2.059609|1.859563|1.962777|4.049229|3.359795|4.946397|4.892855|2.948799|2.951358|2.421445|2.284622|2.285841|2.716282|0.081168|0.096395|0.101213|0.078864|0.092390|0.071126|0.105035|0.147806|0.225859|0.209525|0.174464|0.301169|0.500000| |2.607283|2.574431|2.279142|2.994092|1.929545|1.924670|2.201650|2.438312|2.959212|5.888882|4.194130|3.818251|5.083911|6.864263|12.325986|0.181785|17.652683|6.908981|4.517204|3.629085|3.534433|4.400654|6.354177|1.719182|1.540104|1.446095|1.535650|3.052854|2.282293|3.606832|3.179105|2.051297|2.006081|1.763439|1.746698|1.777838|2.028062|0.063457|0.074949|0.078278|0.056886|0.065348|0.048932|0.062134|0.099097|0.106306|0.123704|0.148668|0.219686|0.147395|0.500000| |2.548924|2.496615|2.289078|3.003007|1.949123|1.939633|2.197821|2.421636|2.869505|5.616905|4.008954|3.440828|4.716147|5.606308|12.247171|0.227681|17.691375|6.713563|4.723436|3.698935|3.764644|4.602491|7.252928|1.745577|1.558173|1.471681|1.573843|3.130475|2.160459|3.448802|2.932549|1.883006|1.829949|1.612288|1.579984|1.615039|1.834406|0.062707|0.071140|0.078731|0.056976|0.067410|0.049449|0.061691|0.088622|0.091382|0.127929|0.138297|0.148388|0.126355|0.299393|0.500000| |3.173042|3.010138|2.643663|3.360108|2.124806|2.071654|2.354618|2.687206|3.297572|6.291754|4.894708|4.524669|6.807723|7.340818|12.339949|0.220866|17.668049|5.501519|4.168414|3.220499|3.061801|3.505038|4.846174|1.897030|1.675726|1.583394|1.708386|3.427577|2.558537|4.036702|3.446294|2.169178|2.061193|1.792500|1.771440|1.840241|2.135302|0.075882|0.090652|0.099549|0.065343|0.077652|0.052062|0.064844|0.119260|0.115650|0.166561|0.232527|0.201442|0.145777|0.299976|0.300889|0.500000| |2.471027|2.632540|2.376344|3.304616|2.148932|2.234380|2.660205|2.846279|3.489850|7.700599|4.482393|3.862351|4.729874|7.522831|12.425092|0.184380|6.492880|17.583286|8.787626|6.803746|5.680920|6.857053|8.864104|1.860432|1.668546|1.530791|1.598880|3.204492|2.364973|3.668755|3.408887|2.201022|2.251098|1.952355|1.875020|1.847362|2.095022|0.060308|0.069060|0.072154|0.058476|0.066794|0.056915|0.078636|0.092709|0.115980|0.121542|0.115958|0.203587|0.220526|0.191774|0.153903|0.138864|0.500000| |2.817731|3.197629|3.003918|4.411827|2.839695|3.057973|3.887376|4.095602|5.106107|12.870930|5.728719|4.403508|5.191897|6.834437|9.578303|0.197254|4.557919|8.726786|17.600452|8.832655|5.496927|4.838990|5.482199|2.351228|2.064018|1.849196|1.930810|3.966746|2.767163|4.209747|3.941196|2.461592|2.529212|2.130206|1.969199|1.938422|2.225025|0.068459|0.075138|0.082550|0.071454|0.084828|0.076349|0.119404|0.098777|0.127725|0.152820|0.115228|0.147240|0.257080|0.115522|0.114984|0.111393|0.209495|0.500000| |2.549125|2.764996|2.687739|3.847722|2.535410|2.682368|3.216522|3.357137|3.898897|8.452323|4.667388|3.547841|4.417067|5.330194|9.527456|0.229464|4.824605|8.891931|17.480098|8.863174|6.856499|5.765594|6.935789|2.164276|1.911603|1.744968|1.836659|3.732382|2.367421|3.702849|3.259682|2.066458|2.082794|1.798081|1.683731|1.676336|1.900087|0.063016|0.067477|0.076772|0.064870|0.078701|0.068265|0.095542|0.083653|0.097142|0.137694|0.105706|0.119426|0.160033|0.115864|0.133955|0.114689|0.173592|0.303002|0.500000| |2.094727|2.309993|2.190338|3.204431|2.168543|2.362770|2.833777|2.812512|3.203558|7.131678|3.817562|2.966572|3.283200|4.211449|6.213476|0.117933|3.575097|6.811490|8.846586|17.517147|8.834208|6.772239|5.634456|1.864426|1.696366|1.535128|1.573352|3.135194|2.122133|3.330971|3.077634|2.034246|2.156110|1.893924|1.768419|1.700503|1.883212|0.052436|0.057160|0.060144|0.054319|0.061012|0.061666|0.088702|0.071563|0.088818|0.091152|0.080002|0.108153|0.138012|0.099146|0.094762|0.085289|0.200707|0.213950|0.173802|0.500000| |2.096195|2.329305|2.289231|3.414827|2.349265|2.607364|3.126435|3.009327|3.289470|7.180365|3.808299|2.818884|3.126219|3.724067|5.600685|0.116101|3.223608|5.514755|8.888693|17.577814|8.805454|5.502324|4.841790|2.008573|1.821747|1.641580|1.681908|3.364526|2.104416|3.322816|2.986690|1.959497|2.056634|1.803934|1.665019|1.613274|1.786788|0.052902|0.056009|0.060726|0.056508|0.064649|0.068594|0.099339|0.067834|0.081380|0.091517|0.076014|0.091573|0.119735|0.085203|0.088147|0.078923|0.139875|0.215639|0.215361|0.304027|0.500000| |1.737451|1.859913|1.807136|2.603792|1.803096|1.941438|2.220584|2.187979|2.387239|4.943312|2.943308|2.255261|2.528880|3.029267|4.794448|0.095312|3.054017|4.846419|5.490339|8.830052|17.569264|8.844453|5.477371|1.595964|1.471488|1.354654|1.388826|2.722376|1.708745|2.749068|2.417328|1.621977|1.691165|1.523571|1.439828|1.397245|1.523443|0.044307|0.047277|0.050420|0.045590|0.051222|0.051728|0.067656|0.056297|0.064975|0.071759|0.064601|0.079222|0.090358|0.084061|0.087267|0.073052|0.127689|0.123375|0.140119|0.215149|0.210265|0.500000| |1.888961|2.007852|1.970468|2.818859|1.937822|2.067218|2.364579|2.362060|2.586307|5.320988|3.193410|2.431441|2.824230|3.332945|5.620319|0.117948|3.512597|5.616661|6.758550|8.852891|17.513178|8.850790|6.728408|1.712112|1.561367|1.442750|1.494811|2.949599|1.801089|2.893870|2.503297|1.652883|1.693236|1.510966|1.427526|1.403977|1.546830|0.048017|0.050862|0.055762|0.049297|0.056876|0.054620|0.070993|0.060309|0.068250|0.082664|0.072158|0.084046|0.097208|0.091989|0.104086|0.083316|0.130890|0.139688|0.201402|0.173613|0.215174|0.303654|0.500000| |1.862518|1.959571|1.840546|2.584695|1.747844|1.838281|2.112786|2.162360|2.458638|5.121736|3.139973|2.535607|2.920638|3.746302|6.165872|0.111661|4.094102|6.849428|5.672194|6.786731|8.845151|17.515296|8.849765|1.549539|1.419833|1.314605|1.358899|2.669681|1.802119|2.880743|2.570167|1.718961|1.777643|1.596464|1.536882|1.499498|1.647080|0.046920|0.051706|0.054136|0.046378|0.051986|0.048190|0.063034|0.063706|0.074121|0.079251|0.075763|0.103203|0.107575|0.121059|0.114936|0.092573|0.203050|0.126212|0.132636|0.198443|0.139117|0.215555|0.173684|0.500000| |1.752995|1.818389|1.737927|2.423681|1.652160|1.726296|1.950473|1.993468|2.223410|4.507427|2.862645|2.271735|2.652472|3.221178|5.530797|0.106603|3.873335|5.529955|4.861317|5.502149|8.806491|17.574285|8.885353|1.481143|1.359467|1.269778|1.317936|2.576382|1.656095|2.675751|2.317982|1.549080|1.581206|1.427829|1.376316|1.355829|1.485396|0.044544|0.048279|0.051553|0.043985|0.049796|0.045504|0.057515|0.057706|0.064488|0.074014|0.070252|0.086652|0.089542|0.108977|0.118086|0.088523|0.140840|0.106793|0.129020|0.138986|0.123207|0.211026|0.214882|0.304025|0.500000| |2.172721|2.230780|2.123317|2.913064|1.939432|1.994489|2.279436|2.404904|2.760138|5.607494|3.592826|2.889311|3.653786|4.485308|9.298097|0.191112|6.275611|8.833989|6.853514|5.681625|6.767001|8.830080|17.505822|1.721862|1.549674|1.448444|1.527508|3.031034|1.957985|3.130055|2.690986|1.748619|1.746503|1.546156|1.487254|1.489625|1.666573|0.054340|0.059255|0.065672|0.052804|0.062145|0.051576|0.065995|0.072161|0.079262|0.105222|0.096716|0.112914|0.117891|0.153090|0.213690|0.133234|0.173757|0.140431|0.206773|0.131133|0.127499|0.139068|0.198294|0.173681|0.215534|0.500000| |2.108129|2.146178|1.989515|2.704859|1.793320|1.834813|2.094165|2.224566|2.589309|5.264702|3.449384|2.885764|3.592693|4.666608|9.188581|0.157781|7.318642|8.766527|5.487873|4.836354|5.495825|8.878892|17.591305|1.599281|1.448174|1.355542|1.424124|2.810575|1.922793|3.072458|2.684065|1.762329|1.766880|1.573475|1.533603|1.531753|1.708892|0.052564|0.058857|0.062809|0.049888|0.057245|0.047444|0.060573|0.073279|0.081319|0.096667|0.097323|0.129060|0.119169|0.217400|0.230233|0.144376|0.213897|0.122442|0.141235|0.126312|0.106717|0.123681|0.139166|0.216667|0.216079|0.302074|0.500000| |2.578258|3.039460|3.739759|6.157874|6.448392|5.927195|4.179035|3.799934|2.971501|4.642879|3.753644|2.284030|2.059082|1.889032|2.369293|0.050556|1.568275|1.672034|1.838059|1.723142|1.533022|1.434410|1.498309|8.821300|17.805262|8.456047|5.858340|10.447485|3.128395|5.696077|3.962934|2.773383|2.691091|2.435228|2.100174|2.139004|2.305138|0.074176|0.064385|0.067443|0.111423|0.093816|0.184179|0.099410|0.060649|0.061500|0.060529|0.053023|0.048785|0.055571|0.041362|0.041598|0.044431|0.045464|0.056205|0.051646|0.047014|0.050445|0.040697|0.042752|0.039010|0.037184|0.041825|0.039230|0.500000| |2.379820|2.598852|3.169939|4.543331|4.070924|3.494044|2.815439|2.774141|2.336556|3.680941|3.118804|1.956827|1.801276|1.633138|2.080089|0.044527|1.411356|1.449639|1.559010|1.455409|1.325582|1.258185|1.323081|5.843408|8.456412|17.808624|8.832822|10.447629|2.628709|5.028205|3.214805|2.262045|2.114410|1.963887|1.775961|1.860989|1.986568|0.071364|0.059561|0.062962|0.099656|0.083796|0.099989|0.068952|0.053375|0.051756|0.052921|0.047676|0.042541|0.046837|0.037157|0.037773|0.040418|0.039205|0.046678|0.044284|0.039467|0.042070|0.035165|0.037263|0.034081|0.032997|0.037263|0.035005|0.193362|0.500000| |3.042980|3.166309|4.087417|5.239627|4.291697|3.386362|2.868496|3.038415|2.616730|4.025393|3.640362|2.257643|2.096806|1.838046|2.343811|0.050812|1.601981|1.591870|1.694440|1.543550|1.410619|1.352376|1.450175|6.033126|5.818603|8.615944|17.841411|16.494088|3.011822|5.832229|3.478062|2.337701|2.101575|1.901901|1.759384|1.891643|2.086715|0.095339|0.073464|0.081805|0.135434|0.114405|0.089575|0.068952|0.062339|0.057781|0.062560|0.056250|0.047487|0.051743|0.041637|0.042887|0.046616|0.042584|0.050599|0.048725|0.041438|0.044140|0.036952|0.039907|0.036356|0.035472|0.041222|0.038470|0.123159|0.195172|0.500000| |5.050285|7.289602|5.153665|7.109972|4.079484|3.862646|4.591243|5.865205|7.147853|10.533690|11.000926|6.895003|4.486126|3.950565|4.150318|0.083235|2.651207|2.758104|2.854834|2.487830|2.104150|2.065848|2.261384|3.334673|2.862839|2.498488|2.603085|5.478108|9.429584|10.879311|26.137005|9.004545|7.485334|4.714660|4.126012|4.341735|6.215348|0.119368|0.141487|0.118503|0.126220|0.116890|0.090276|0.116778|0.177298|0.217234|0.114947|0.107466|0.104722|0.120119|0.071412|0.065092|0.076586|0.079220|0.093300|0.074370|0.071037|0.068172|0.054161|0.055947|0.057944|0.051558|0.060131|0.060114|0.077331|0.061808|0.066589|0.500000| |3.832323|4.682533|4.072847|5.523675|3.664298|3.336911|3.414074|3.835285|3.743745|5.763168|5.480844|3.543588|2.758406|2.487871|2.854580|0.057933|1.915129|1.947779|2.011060|1.833823|1.610088|1.577733|1.686166|3.374327|3.109282|2.759312|2.775114|5.514963|7.442777|13.640155|12.630923|17.603192|8.890248|6.834223|5.698887|6.846394|8.904970|0.105079|0.107427|0.088501|0.117922|0.092264|0.082648|0.085898|0.101289|0.101425|0.073677|0.071392|0.067606|0.072673|0.052035|0.048576|0.055401|0.055462|0.062713|0.053670|0.052124|0.051021|0.042334|0.043319|0.044233|0.040320|0.045435|0.045342|0.085364|0.069584|0.070625|0.183959|0.500000| |3.126509|3.979951|3.586887|5.496661|3.741722|3.826546|4.207957|4.360654|4.238603|6.945913|5.454208|3.554037|2.821636|2.695864|3.076486|0.061853|2.000923|2.175935|2.306659|2.145109|1.834743|1.766700|1.853281|3.187171|2.955266|2.507469|2.456937|4.938975|5.087148|7.853952|9.694875|8.844849|17.537777|8.797364|5.479909|4.835571|5.497655|0.081650|0.086028|0.076847|0.095785|0.083830|0.095542|0.112271|0.093824|0.109100|0.075522|0.070291|0.072726|0.082793|0.054744|0.050656|0.056351|0.062885|0.073552|0.060213|0.062167|0.060339|0.048557|0.048704|0.049997|0.044604|0.049292|0.049170|0.084932|0.063380|0.061651|0.198687|0.215350|0.500000| |3.141632|3.823317|3.210417|4.622336|3.023635|3.051674|3.465846|3.748989|4.068819|7.016012|5.515974|3.959711|3.075918|3.009432|3.335995|0.065422|2.185975|2.347560|2.411263|2.228380|1.908667|1.875728|1.980527|2.611288|2.399118|2.109326|2.114518|4.226879|4.757864|7.149165|9.707862|8.855579|17.463458|8.850555|6.778007|5.666247|6.804098|0.079852|0.090558|0.077538|0.084323|0.077268|0.076335|0.095090|0.106244|0.130041|0.078943|0.076946|0.084049|0.092117|0.060874|0.054484|0.061576|0.069516|0.076607|0.061745|0.065681|0.061219|0.050359|0.050020|0.053813|0.047139|0.051892|0.053158|0.067498|0.053772|0.054302|0.219383|0.174154|0.302277|0.500000| |2.542550|2.950957|2.717931|3.899904|2.769675|2.738037|2.802440|2.879769|2.807440|4.664902|3.828888|2.621150|2.172828|2.078231|2.444629|0.049027|1.647455|1.730009|1.790847|1.692577|1.494923|1.458605|1.519888|2.579940|2.521472|2.241959|2.166718|4.141851|3.772827|6.631538|6.272411|6.794488|8.861436|17.510827|8.849660|6.779670|5.658366|0.069194|0.071744|0.062583|0.076652|0.065491|0.071697|0.074892|0.072877|0.078049|0.057972|0.056356|0.057415|0.061543|0.045525|0.042181|0.046680|0.049986|0.055188|0.047258|0.048942|0.047328|0.039987|0.039871|0.041405|0.037425|0.040592|0.040942|0.072834|0.058534|0.055388|0.116575|0.201371|0.214918|0.173831|0.500000| |2.347029|2.721277|2.474768|3.599544|2.530951|2.592053|2.756829|2.787892|2.801885|4.850842|3.730275|2.633835|2.207094|2.180183|2.555524|0.050619|1.711456|1.840187|1.902321|1.821594|1.598209|1.559685|1.609204|2.296841|2.221652|1.969945|1.915196|3.689506|3.298857|5.508624|5.647424|5.500903|8.842469|17.549009|8.805071|5.489478|4.840594|0.062395|0.066687|0.058920|0.067684|0.060724|0.068140|0.076427|0.071894|0.081121|0.058272|0.056750|0.060870|0.065517|0.047805|0.043658|0.047915|0.053995|0.058748|0.049429|0.053561|0.050758|0.042978|0.042145|0.044767|0.039819|0.042497|0.043335|0.064344|0.051433|0.049179|0.114018|0.140163|0.211983|0.215298|0.303722|0.500000| |2.234070|2.449207|2.196353|3.030600|2.112008|2.080430|2.166198|2.260526|2.310682|3.950875|3.241291|2.356765|1.993037|1.938303|2.290443|0.045266|1.578915|1.621278|1.633532|1.551645|1.392300|1.383880|1.440930|1.988029|1.930953|1.776540|1.750588|3.310520|2.997235|5.276037|4.859637|4.836909|5.486553|8.826655|17.548269|8.815712|5.487909|0.060473|0.065292|0.055689|0.061485|0.054573|0.054670|0.058885|0.067196|0.070888|0.052116|0.052808|0.055092|0.056361|0.044358|0.040352|0.044797|0.047431|0.049497|0.042851|0.045229|0.042721|0.037373|0.036919|0.039677|0.035713|0.038210|0.039394|0.054773|0.046928|0.045857|0.093146|0.127607|0.123120|0.139279|0.215149|0.211471|0.500000| |2.483623|2.746344|2.375189|3.266778|2.214614|2.192425|2.356114|2.502301|2.654799|4.605936|3.752893|2.813955|2.332246|2.293844|2.649381|0.051711|1.816584|1.869218|1.864740|1.757136|1.562026|1.563499|1.637717|2.031564|1.928739|1.761217|1.759332|3.388964|3.347599|5.608113|5.747431|5.645596|6.760936|8.849235|17.494432|8.848271|6.773252|0.065458|0.073787|0.061871|0.064963|0.058999|0.056726|0.064564|0.080193|0.087572|0.059773|0.061347|0.066145|0.067050|0.051433|0.045841|0.051476|0.055423|0.056926|0.048302|0.051699|0.047901|0.041710|0.041074|0.045136|0.040026|0.043011|0.044868|0.054241|0.045992|0.046095|0.114324|0.131612|0.138945|0.199203|0.173737|0.214736|0.303488|0.500000| |2.799266|3.033550|2.679962|3.557134|2.441138|2.298079|2.346710|2.536803|2.567650|4.204547|3.758181|2.662935|2.191887|2.041958|2.394374|0.047897|1.656088|1.651341|1.663854|1.546182|1.387708|1.380440|1.462159|2.342481|2.250679|2.095524|2.095015|3.967556|4.004855|7.585431|6.244923|6.795631|5.658400|6.780145|8.847840|17.507643|8.854866|0.077741|0.082505|0.067325|0.077463|0.065196|0.059325|0.061608|0.078330|0.077320|0.057586|0.058618|0.057335|0.058488|0.045866|0.042252|0.047830|0.047570|0.050600|0.044235|0.044338|0.042598|0.036856|0.037183|0.039086|0.035653|0.039197|0.039941|0.062448|0.054892|0.055053|0.108776|0.201922|0.126729|0.131187|0.199277|0.139195|0.214831|0.173697|0.500000| |2.692739|2.825777|2.427290|3.181736|2.147136|2.042939|2.134019|2.323724|2.441736|4.091266|3.623469|2.701558|2.238345|2.112588|2.463561|0.048632|1.726421|1.694293|1.674586|1.554713|1.402938|1.414200|1.502576|2.034737|1.932718|1.812402|1.835475|3.492203|3.552701|6.412781|5.609814|5.496630|4.834942|5.490104|8.808950|17.548638|8.834940|0.073153|0.082082|0.065626|0.068553|0.060312|0.052659|0.056859|0.080909|0.079752|0.057608|0.060605|0.060682|0.059860|0.048428|0.043767|0.049957|0.049337|0.050584|0.044187|0.044877|0.042336|0.037239|0.037371|0.040333|0.036542|0.039990|0.041454|0.053327|0.047512|0.048785|0.102720|0.140366|0.106557|0.126864|0.139233|0.123112|0.211312|0.214688|0.303811|0.500000| |3.664763|4.008731|3.149958|4.085643|2.613678|2.479323|2.703426|3.078950|3.433730|5.701295|5.317527|4.111804|3.132909|2.906095|3.215068|0.062872|2.207489|2.164622|2.129017|1.925974|1.701969|1.719968|1.859816|2.368193|2.164435|1.987025|2.048254|4.043968|5.248596|8.375221|9.624514|8.874422|6.817208|5.677759|6.783365|8.829909|17.483719|0.093728|0.115496|0.087080|0.085407|0.076812|0.061996|0.071667|0.125605|0.126993|0.078039|0.083022|0.083888|0.082882|0.061730|0.054666|0.064302|0.063524|0.065700|0.055505|0.055757|0.051986|0.044567|0.045060|0.049066|0.043790|0.049122|0.051070|0.059057|0.050929|0.053985|0.178266|0.174569|0.139964|0.201515|0.131316|0.127162|0.139233|0.199492|0.173554|0.214246|0.500000| 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