Version2.2 2021-02-11T02:20:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 15-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(CC1)C(=O)Nc2cc(ccc2O)Cl C59258690 RHF 6-31G(d) (6D,7F) C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(CC1)C(=O)Nc2cc(ccc2O)Cl C01[X(C20H30Cl1N4O4)] 171 C1 499 O=C(NC(C)(C)C)NC(=O)[C@@H]([NH+]1CCC(CC1)C(=O)Nc1cc(Cl)ccc1O)C O=C(NC(C)(C)C)NC(=O)[C@@H]([NH+]1CCC(CC1)C(=O)Nc1cc(Cl)ccc1O)C C[C@H]([NH+]1CCC(CC1)C(=O)Nc2cc(Cl)ccc2O)C(=O)NC(=O)NC(C)(C)C InChIKey=XGRNMPOIJXQGFG-LBPRGKRZSA-O InChI=1S/C20H29ClN4O4/c1-12(17(27)23-19(29)24-20(2,3)4)25-9-7-13(8-10-25)18(28)22-15-11-14(21)5-6-16(15)26/h5-6,11-13,26H,7-10H2,1-4H3,(H,22,28)(H2,23,24,27,29)/p+1/t12-/m0/s1 InChI=1/C20H29ClN4O4/c1-12(17(27)23-19(29)24-20(2,3)4)25-9-7-13(8-10-25)18(28)22-15-11-14(21)5-6-16(15)26/h5-6,11-13,26H,7-10H2,1-4H3,(H,22,28)(H2,23,24,27,29)/p+1/t12-/m0/s1/fC20H30ClN4O4/h22-25H/q+1 C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(CC1)C(=O)Nc2cc(ccc2O)Cl C01[X(C20H30Cl1N4O4)] 171 C01 499 O=C(NC(C)(C)C)NC(=O)[C@@H]([NH+]1CCC(CC1)C(=O)Nc1cc(Cl)ccc1O)C O=[C]([NH]C(C)(C)C)NC(=O)[C@@H]([NH]1CC[C@H](CC1)C(=O)N[C]1[CH][C]([CH][CH][C]1O)Cl)C C[C@H]([NH]1CC[C@H](CC1)C(=O)N[C]2[CH][C](Cl)[CH][CH][C]2O)C(=O)NC(=O)NC(C)(C)C InChIKey=IFLVVGRPSAUZND-LBPRGKRZSA-N InChI=1S/C20H30ClN4O4/c1-12(17(27)23-19(29)24-20(2,3)4)25-9-7-13(8-10-25)18(28)22-15-11-14(21)5-6-16(15)26/h5-6,11-13,25-26H,7-10H2,1-4H3,(H,22,28)(H2,23,24,27,29)/t12-/m0/s1 InChI=1/C20H30ClN4O4/c1-12(17(27)23-19(29)24-20(2,3)4)25-9-7-13(8-10-25)18(28)22-15-11-14(21)5-6-16(15)26/h5-6,11-13,25-26H,7-10H2,1-4H3,(H,22,28)(H2,23,24,27,29)/t12-/m0/s1/f/h22-24H 2835.4609949967 -1751.4262801 1-A 27540.2196 113 386 499 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22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 6 6 1 6 8 7 6 8 7 6 6 6 6 7 1 6 6 6 6 6 6 8 7 6 6 6 6 6 6 8 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 34.96885 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 1.00783 1.00783 1.00783 1.00783 4902.5708 47353.6814 48771.7811 0.99997 -0.00745 0.00129 0.00736 0.99789 0.06452 -0.00177 -0.06451 0.99792 1 0.01767 0.00183 0.00178 0.36812 0.03811 0.03700 13.04 19.15 23.78 35.66 46.79 64.21 82.88 104.26 130.04 133.64 158.94 181.81 204.60 217.86 222.88 273.13 297.83 326.72 340.65 352.38 377.75 382.58 397.66 417.38 424.14 425.58 452.44 463.88 477.15 489.32 507.77 527.87 545.99 562.52 576.04 593.01 635.55 644.51 674.47 702.99 716.08 722.80 725.56 737.05 755.76 784.03 785.40 878.75 920.33 939.89 941.42 1022.38 1024.96 1106.73 1144.93 1171.80 1185.35 1196.00 1212.86 1233.06 1257.74 1266.41 1306.60 1326.81 1358.67 1396.74 1425.22 1440.74 1456.44 1460.17 1468.29 1497.00 1504.83 1525.18 1528.08 1529.36 1535.64 1553.67 1606.44 1620.61 1640.06 1667.83 1685.20 1696.53 1714.95 1717.95 1732.22 1757.13 1761.24 1776.56 1813.69 1851.22 1867.01 1885.89 1912.42 1949.23 1954.79 1963.10 1986.44 1998.06 2016.04 2037.41 2047.89 2086.48 2097.64 2100.44 2119.81 2133.59 2182.27 2194.45 2200.61 2243.50 2244.47 2252.57 2263.68 2264.59 2273.01 2285.11 2287.63 2315.11 2335.20 2347.24 2352.08 2353.21 2356.64 2357.85 2363.51 2367.37 2374.82 2378.01 2389.81 2401.57 2405.93 2432.40 2443.88 2501.20 2605.23 2613.54 2805.25 2827.54 2937.21 4606.62 4619.59 4624.18 4635.66 4653.25 4662.51 4665.85 4695.07 4695.90 4703.76 4712.62 4720.40 4724.89 4732.00 4738.55 4747.52 4759.84 4770.78 4782.16 4784.35 4818.07 4832.15 4838.86 4909.54 4995.70 5207.32 5543.86 5556.18 5586.68 5917.85 0.538275 0.566653 0.567597 0.474749 -1750.888005 -1750.859627 -1750.858683 -1750.951532 3.114171D-04 MUNgauss RevisionA2.1 retrievium 11-Feb-2021 DUDE C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(CC1)C(=O)Nc2cc(ccc2O)Cl C59258690 RHF 6-31G(d) (6D,10F) C1 425.195558 |X|Y|Z| 156.647665 43.451738 33.369142 61.013421 14 6 7 12 2 |36.858105| |12.440078|36.858105| |8.816025|17.609038|0.500000| |7.596421|12.367217|0.242465|36.858105| |5.937016|8.103074|0.167015|15.975943|73.516695| |6.014848|7.778192|0.200459|14.070156|14.895849|53.358707| |4.186112|4.999839|0.132848|7.733291|11.727871|18.031632|36.858105| |3.637622|4.443960|0.116890|6.710450|11.890488|11.357281|16.062929|73.516695| |3.662185|4.026597|0.110423|5.363198|8.263251|11.284230|14.178405|14.894480|53.358707| |2.857275|3.083084|0.084897|3.875407|6.408524|6.950695|7.598555|11.548124|17.454574|36.858105| |2.549831|2.837606|0.080024|3.474163|5.801274|5.965003|6.208890|10.888571|10.508168|12.441001|36.858105| |2.624728|2.720233|0.075901|3.218099|5.253172|5.589373|5.141625|7.751265|10.799254|12.443056|7.607762|36.858105| |2.660763|2.826371|0.075436|3.581243|6.304026|5.917389|6.162014|10.671217|10.456004|12.431817|7.539872|7.586025|36.858105| |7.491473|12.661955|0.252943|7.895538|13.097623|7.156427|3.975766|6.848993|4.391704|2.617738|2.482227|2.305724|2.474859|53.358707| |6.700630|9.472070|0.184799|8.093935|16.454342|7.012644|4.046893|7.161394|4.407721|2.650263|2.488208|2.307306|2.572119|25.569599|0.500000| |6.502743|7.474820|0.179790|5.033260|8.547513|5.245582|3.069387|5.264947|3.581685|2.200590|2.092141|1.996164|2.094682|17.262034|0.256289|36.858105| |4.367802|4.920764|0.123397|3.929913|7.181668|4.246794|2.634768|4.673836|3.094868|1.957933|1.888792|1.773451|1.895961|10.417029|0.198537|12.498879|36.858105| |3.597816|4.326021|0.115066|3.658579|6.700166|4.060706|2.587198|4.697645|3.021043|1.933345|1.909333|1.737324|1.862031|8.753571|0.164023|7.482688|12.427767|36.858105| |3.781654|4.975786|0.131246|4.479662|8.423243|4.836239|3.095128|5.774865|3.491538|2.213890|2.207835|1.942892|2.126304|10.385255|0.200350|6.516968|7.616372|12.417415|36.858105| |4.939063|7.668405|0.207170|6.340876|10.832550|6.469782|3.857161|6.973621|4.225385|2.575506|2.543743|2.241777|2.410270|17.174405|0.259568|7.713047|6.554562|7.528310|12.523037|36.858105| |2.869961|3.285040|0.086980|2.956255|5.568081|3.380651|2.232275|4.112209|2.643814|1.730352|1.717399|1.561006|1.692495|6.018490|0.122385|4.924325|7.639661|12.454709|7.633118|4.936424|36.858105| |2.779192|3.129291|0.080752|2.913253|5.668430|3.314733|2.216302|4.121193|2.620263|1.724840|1.701713|1.549941|1.712131|5.647770|0.122078|4.447818|6.616476|8.079501|6.461115|4.405461|15.871415|73.516695| |2.476362|2.788283|0.075989|2.517903|4.642457|2.970330|1.984453|3.642522|2.387846|1.580234|1.582612|1.439114|1.538395|4.812071|0.095432|3.938169|5.411451|7.833446|5.520095|3.990370|14.155238|14.945392|53.358707| |2.106852|2.322996|0.063268|2.148498|3.981884|2.581144|1.755290|3.234062|2.136389|1.433553|1.439929|1.312280|1.406018|3.849587|0.077781|3.082543|3.981337|5.006038|4.041208|3.115749|7.672315|11.581807|18.348367|36.858105| |1.984109|2.163738|0.058094|2.042794|3.848200|2.456113|1.688318|3.130081|2.058088|1.390633|1.392319|1.271346|1.379534|3.549744|0.073650|2.792322|3.564334|4.192606|3.587768|2.806747|6.278319|11.654707|10.470320|13.769457|36.858105| |1.734771|1.869376|0.050474|1.781422|3.339146|2.175447|1.510752|2.798230|1.861087|1.269926|1.274897|1.168025|1.263165|2.983346|0.061816|2.325930|2.841608|3.222232|2.860922|2.338606|4.315510|7.958609|6.971562|7.971182|13.733911|36.858105| |1.617253|1.738183|0.047499|1.648531|3.050814|2.035240|1.414833|2.608386|1.755240|1.201331|1.211280|1.111272|1.188069|2.734674|0.055873|2.137109|2.550206|2.895845|2.576419|2.154747|3.676472|6.409301|6.185218|6.847282|7.899615|13.837584|36.858105| |1.682678|1.818754|0.050237|1.703598|3.117947|2.105823|1.454260|2.668940|1.803866|1.229171|1.242738|1.138733|1.205316|2.867062|0.057654|2.260961|2.693129|3.130760|2.732484|2.287337|3.909746|6.404213|7.087953|7.917466|6.863861|7.997153|13.732010|36.858105| |1.905305|2.084149|0.057687|1.925613|3.515479|2.354924|1.609006|2.949178|1.979782|1.336530|1.349736|1.232924|1.303968|3.354380|0.066795|2.678941|3.279198|3.992295|3.339408|2.716495|5.184631|7.899162|10.895113|13.646087|7.931488|6.928983|7.948618|13.838433|36.858105| |1.966451|2.160950|0.060837|1.967036|3.532281|2.419274|1.641388|2.986958|2.024590|1.361207|1.378652|1.259987|1.314808|3.454300|0.067254|2.781117|3.320559|4.099336|3.397743|2.832580|4.830924|6.991894|9.916169|8.136827|5.271849|4.637780|5.201310|7.911576|14.009699|73.516695| |1.602957|1.708595|0.045739|1.655666|3.133168|2.032025|1.425927|2.650172|1.764513|1.213627|1.214463|1.117201|1.220004|2.686222|0.056546|2.063936|2.465235|2.684158|2.469786|2.067589|3.421236|6.686058|5.012262|4.780948|7.062775|10.948760|7.052232|4.776978|4.243496|5.792050|448.794386| |17.578136|8.764229|0.172727|6.869087|10.943044|7.178374|3.922874|6.229544|4.666981|2.737369|2.421927|2.503879|2.636199|9.328184|0.195114|6.170407|4.419478|3.521791|3.664614|4.500181|2.887656|5.105682|3.346295|2.109137|2.016375|1.761965|1.627737|1.676327|1.888636|3.416145|13.207215|0.500000| |17.591831|8.896512|0.210026|7.080835|9.517607|9.025839|4.542810|6.677144|5.653828|3.157429|2.742146|2.954032|2.885215|7.506118|0.142016|4.784354|3.507963|3.026369|3.219807|4.124294|2.485859|4.297888|2.977214|1.891651|1.790125|1.584207|1.486084|1.543487|1.730385|3.178026|11.834549|0.302769|0.500000| |17.622535|8.730079|0.213562|5.494520|8.111265|6.329102|3.453063|5.447203|4.237370|2.507548|2.279423|2.351696|2.330270|8.971522|0.156013|6.932217|4.512028|3.631088|3.614184|4.570483|2.880512|4.872788|3.430732|2.137585|1.992721|1.743913|1.636343|1.714793|1.947881|3.608294|12.836991|0.299198|0.303581|0.500000| |6.164769|7.487233|0.220497|9.391100|10.817123|26.012503|9.145311|11.021804|10.442820|4.828953|4.197173|4.159423|3.925572|6.628535|0.125860|3.753681|2.989363|2.853461|3.302304|4.423370|2.364169|4.065283|2.867806|1.831626|1.729329|1.537888|1.450067|1.509611|1.687988|3.112422|11.478002|0.140303|0.203323|0.137151|0.500000| |3.947701|4.111522|0.112675|5.217547|7.809860|10.844834|9.538017|10.940227|26.044382|9.001797|5.800646|7.822971|6.278238|4.356506|0.088474|2.657416|2.263606|2.172112|2.460816|2.984888|1.894383|3.330866|2.331864|1.532038|1.473832|1.333842|1.259945|1.296307|1.422462|2.591614|10.148215|0.101757|0.130551|0.092959|0.228376|0.500000| |2.573635|2.880013|0.083437|3.421736|5.547727|5.941229|5.735435|9.550702|9.622813|8.794553|17.556008|6.958980|5.486460|3.397917|0.068232|2.114735|1.895717|1.925209|2.217198|2.582871|1.718632|2.996531|2.169014|1.445228|1.386754|1.269457|1.212218|1.251213|1.362181|2.492386|9.643553|0.066688|0.077197|0.064571|0.121915|0.156811|0.500000| |2.237965|2.446596|0.068757|2.918298|4.966495|4.800147|4.659116|8.371605|7.617387|8.854112|17.568261|6.971189|6.872125|2.968210|0.060943|1.872162|1.711002|1.731309|1.978877|2.233125|1.576926|2.787040|1.991365|1.342972|1.304286|1.202419|1.145178|1.171531|1.264238|2.289841|9.244149|0.059629|0.066503|0.056246|0.094596|0.127880|0.301319|0.500000| |2.584848|2.952879|0.082639|3.694833|6.324010|6.167771|6.628231|13.444374|9.366971|8.760520|17.623847|5.507970|6.873349|3.584372|0.073928|2.187927|1.992576|2.037416|2.399909|2.753289|1.835570|3.242719|2.291947|1.529467|1.481076|1.351735|1.279630|1.310996|1.426847|2.582714|10.332707|0.068568|0.075678|0.063896|0.115726|0.141999|0.300450|0.301727|0.500000| |2.727505|2.739625|0.075369|3.216884|5.258061|5.511635|4.814596|7.133992|9.740855|8.751593|5.501161|17.526091|6.924641|3.136805|0.064377|2.011244|1.778253|1.718419|1.902768|2.191959|1.544516|2.735730|1.932381|1.294882|1.257431|1.155089|1.097060|1.122089|1.214259|2.201770|8.891153|0.072983|0.086662|0.067663|0.114155|0.225733|0.141435|0.141637|0.122667|0.500000| |2.288855|2.369458|0.066051|2.760420|4.607780|4.595290|4.148915|6.657917|7.720502|8.833087|6.930782|17.591589|6.912439|2.800057|0.057395|1.801950|1.623271|1.598940|1.779784|2.018566|1.452356|2.570436|1.832760|1.236809|1.202543|1.110871|1.058905|1.082461|1.165911|2.113407|8.566203|0.061230|0.070357|0.057656|0.093987|0.151264|0.171381|0.209096|0.141357|0.302406|0.500000| |2.646280|2.751057|0.078601|3.167299|5.049403|5.550585|4.841885|7.192833|9.798804|8.765525|6.947253|17.550872|5.496743|3.146806|0.063247|2.012076|1.776054|1.745900|1.944912|2.262789|1.559161|2.728965|1.966658|1.314223|1.265189|1.162195|1.110474|1.143635|1.240526|2.268034|8.874184|0.068800|0.083222|0.066608|0.120322|0.206552|0.209371|0.172409|0.141314|0.299917|0.301622|0.500000| |2.711212|2.948814|0.077727|3.842200|7.035919|6.140870|6.607741|13.100512|9.374919|8.770009|6.860553|5.502238|17.613293|3.581368|0.077075|2.195760|2.005037|1.982463|2.298371|2.588741|1.807280|3.270834|2.221229|1.489831|1.466928|1.338699|1.252850|1.267519|1.373388|2.450820|10.395422|0.075281|0.079907|0.065547|0.108587|0.151677|0.140333|0.169126|0.204835|0.141152|0.140990|0.122756|0.500000| |2.312699|2.439368|0.065725|2.983054|5.281470|4.774416|4.640542|8.283870|7.587876|8.827725|6.875850|6.917291|17.563793|2.962315|0.062586|1.874421|1.717095|1.696052|1.919821|2.140742|1.558189|2.803767|1.943769|1.315615|1.294420|1.193155|1.125812|1.140073|1.226370|2.195835|9.289247|0.063730|0.069111|0.057231|0.090309|0.134078|0.140505|0.205553|0.170182|0.171212|0.207142|0.140934|0.301410|0.500000| |2.772980|2.854354|0.075033|3.592117|6.340515|5.845134|5.652414|9.271295|9.525952|8.782014|5.484299|6.942772|17.547073|3.374333|0.072044|2.115901|1.905340|1.842141|2.078508|2.353761|1.674565|3.023373|2.064963|1.386744|1.363984|1.248698|1.172295|1.187093|1.283601|2.296791|9.708249|0.077436|0.084546|0.067089|0.108079|0.179008|0.122852|0.140638|0.140255|0.208658|0.171257|0.141321|0.300652|0.301473|0.500000| |7.527728|6.959152|0.159664|4.810770|8.201035|5.088708|2.975101|5.024761|3.531694|2.169975|2.027382|1.989714|2.082728|12.331789|0.220949|17.683899|8.875950|5.486705|4.900311|5.614068|4.114855|6.942792|4.598866|2.754788|2.555306|2.164310|1.988535|2.079808|2.416537|4.409980|15.705178|0.215671|0.147040|0.235661|0.101572|0.073994|0.056619|0.050601|0.058315|0.056413|0.049839|0.055467|0.060203|0.051735|0.059272|0.500000| |6.019668|6.854601|0.190815|4.531602|7.324022|5.008002|2.931154|4.968093|3.481564|2.143240|2.055911|1.966967|2.007110|12.402199|0.180737|17.596697|8.745306|6.690239|5.739372|7.057434|4.457348|6.879406|5.178820|2.983064|2.642013|2.227224|2.086183|2.244182|2.668458|5.073251|15.700916|0.146128|0.128858|0.194524|0.103448|0.072130|0.058525|0.051136|0.059287|0.054819|0.049321|0.055774|0.057863|0.050143|0.056025|0.301236|0.500000| |4.177708|4.586237|0.110551|3.907838|7.527985|4.177668|2.633569|4.725288|3.081446|1.960850|1.878607|1.766675|1.930627|9.347552|0.208913|8.862324|17.573293|8.880329|6.819626|5.705455|7.242991|13.400006|6.731563|3.845023|3.639845|2.896033|2.537143|2.605923|3.102930|5.383648|20.719550|0.124236|0.094110|0.115233|0.080010|0.062415|0.051782|0.047417|0.055251|0.049406|0.045036|0.048657|0.057126|0.048538|0.054177|0.216786|0.172774|0.500000| |3.879628|4.092407|0.105814|3.300269|5.933384|3.704553|2.325825|4.094049|2.791156|1.784534|1.721278|1.638979|1.728533|7.608726|0.144942|8.991409|17.567259|8.779261|5.517068|4.914525|6.809866|10.383554|7.320619|4.053042|3.587818|2.887490|2.618445|2.786470|3.395654|6.152933|19.934904|0.109048|0.088471|0.116149|0.073678|0.057158|0.048136|0.043641|0.050022|0.045810|0.041871|0.045733|0.050348|0.043810|0.048424|0.215525|0.213897|0.303857|0.500000| |3.426891|4.083850|0.114560|3.379060|5.954060|3.871083|2.463060|4.421209|2.915814|1.869926|1.859868|1.696407|1.778893|7.645539|0.135208|6.719750|8.847539|17.523686|8.849956|6.772003|8.783045|10.450621|10.361922|4.877261|3.880205|3.068309|2.859021|3.199030|4.154305|8.143331|20.193634|0.090441|0.081223|0.098757|0.077313|0.058472|0.052673|0.046908|0.054773|0.046471|0.043400|0.047794|0.052146|0.045194|0.048738|0.138619|0.195293|0.174258|0.215051|0.500000| |3.636799|4.644431|0.116688|4.499664|9.145383|4.786784|3.135631|5.984482|3.506843|2.240348|2.218976|1.948183|2.196587|9.348928|0.211867|5.692376|6.809197|8.845525|17.568912|8.867565|7.202512|12.908449|6.828627|3.891760|3.656838|2.911765|2.559964|2.639037|3.150450|5.483730|20.727698|0.101823|0.086593|0.094187|0.088407|0.068240|0.060931|0.055429|0.067511|0.053168|0.049728|0.053517|0.066804|0.055015|0.059818|0.128073|0.132244|0.199337|0.139144|0.173951|0.500000| |3.219115|4.147471|0.114555|3.887596|7.197482|4.425961|2.927400|5.544996|3.335132|2.149959|2.190733|1.886119|2.055369|7.588381|0.146170|4.890017|5.516636|8.770808|17.568973|8.992721|6.800011|10.059215|7.573322|4.162646|3.628588|2.922194|2.667463|2.862350|3.512620|6.427079|19.997205|0.085790|0.078673|0.086005|0.084759|0.064659|0.061441|0.054796|0.066607|0.050812|0.048322|0.052645|0.061768|0.051995|0.055176|0.107846|0.128742|0.139350|0.123146|0.215074|0.303683|0.500000| |4.714607|6.986785|0.223592|5.395189|8.592459|6.012649|3.578676|6.299769|4.049579|2.477358|2.471439|2.194754|2.273628|12.408459|0.182162|7.113444|5.820894|6.785154|8.772929|17.598805|4.491263|6.858248|5.268967|3.024352|2.662415|2.244090|2.107772|2.276169|2.714615|5.190866|15.758856|0.114123|0.111779|0.127594|0.120998|0.080290|0.071106|0.060399|0.073327|0.059392|0.054910|0.062513|0.066753|0.056511|0.061516|0.144930|0.215765|0.133347|0.130480|0.199076|0.172967|0.213443|0.500000| |4.631769|7.293411|0.197285|7.422786|12.828889|7.617382|4.638604|8.702989|4.845707|2.922473|2.920752|2.473649|2.718040|12.322468|0.224355|5.621073|4.907723|5.492573|8.847641|17.661728|4.107048|6.821326|4.657889|2.785730|2.564949|2.174963|2.007405|2.109649|2.457029|4.511265|15.700469|0.117954|0.112760|0.114076|0.138103|0.092429|0.081960|0.070147|0.089737|0.066376|0.061577|0.069018|0.082341|0.066395|0.072616|0.126419|0.144614|0.127794|0.108068|0.139280|0.215367|0.215075|0.300271|0.500000| |2.491479|2.815861|0.078426|2.501506|4.517913|2.979324|1.979165|3.605185|2.392036|1.579303|1.587529|1.444557|1.522755|4.793490|0.092167|3.964798|5.178948|7.563909|5.330161|4.045209|9.458198|10.847760|26.067148|9.387724|5.755221|4.311311|4.108579|4.985791|7.788419|15.906918|25.539149|0.067556|0.061309|0.071268|0.059366|0.047779|0.044740|0.040712|0.046753|0.039504|0.037497|0.040539|0.044639|0.039278|0.041629|0.093324|0.111266|0.124360|0.145730|0.246362|0.126885|0.153451|0.114189|0.095357|0.500000| |2.095966|2.286963|0.060510|2.177062|4.165862|2.589361|1.779866|3.314296|2.156276|1.453611|1.447819|1.322256|1.451567|3.796423|0.080427|2.961980|3.848503|4.424901|3.845770|2.963235|6.831745|15.029714|9.468999|8.928712|17.837040|8.919852|5.643970|4.956584|5.645021|7.571875|54.052793|0.059853|0.052268|0.057964|0.050212|0.042841|0.039837|0.037608|0.042902|0.036406|0.034691|0.036383|0.043079|0.037722|0.039965|0.075662|0.075975|0.113981|0.105303|0.108157|0.113559|0.105163|0.076231|0.075409|0.142834|0.500000| |1.483737|1.584085|0.043333|1.511603|2.793692|1.880613|1.314924|2.422751|1.640958|1.129556|1.139804|1.048627|1.119534|2.458937|0.050328|1.909824|2.235569|2.490508|2.255917|1.924199|3.052380|5.388252|4.925251|4.941927|5.631418|8.932779|17.759706|8.901216|5.653821|7.456487|53.736845|0.041519|0.038120|0.041666|0.037274|0.032739|0.031663|0.030057|0.033376|0.028764|0.027848|0.029092|0.032730|0.029583|0.030695|0.049814|0.051902|0.062034|0.063728|0.068444|0.062534|0.064782|0.052390|0.050255|0.093046|0.124226|0.500000| |1.575470|1.695231|0.047164|1.588083|2.885116|1.981325|1.371805|2.509387|1.712482|1.171040|1.186984|1.090125|1.145036|2.633891|0.052656|2.071510|2.410231|2.764417|2.446572|2.097396|3.291362|5.377481|5.752201|5.635425|4.946184|5.671659|8.911960|17.703599|8.951716|12.701219|31.605761|0.043395|0.040400|0.044736|0.039662|0.034230|0.033296|0.031166|0.034671|0.029813|0.028844|0.030490|0.033324|0.030174|0.031300|0.053190|0.057760|0.064334|0.069458|0.079799|0.065184|0.071423|0.058634|0.054046|0.117937|0.107567|0.214615|0.500000| 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