Version2.1 2020-12-28T17:09:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 10-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H](C)CC(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc3ccc(c(c3)OCC)OC C39653527 RHF 6-31G(d) (6D,7F) CC[C@@H](C)CC(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc3ccc(c(c3)OCC)OC C01[X(C26H42N3O4)] 219 C1 579 CCOc1cc(CCNC(=O)[C@H]2CN(CC32CC[NH2+]CC3)C(=O)C[C@@H](CC)C)ccc1OC CCOc1cc(CCNC(=O)[C@H]2CN(CC32CC[NH2+]CC3)C(=O)C[C@@H](CC)C)ccc1OC CCOc1cc(CCNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)C[C@H](C)CC)ccc1OC InChIKey=VBSHPMQHLQWJGT-TZIWHRDSSA-O InChI=1S/C26H41N3O4/c1-5-19(3)15-24(30)29-17-21(26(18-29)10-13-27-14-11-26)25(31)28-12-9-20-7-8-22(32-4)23(16-20)33-6-2/h7-8,16,19,21,27H,5-6,9-15,17-18H2,1-4H3,(H,28,31)/p+1/t19-,21-/m1/s1 InChI=1/C26H41N3O4/c1-5-19(3)15-24(30)29-17-21(26(18-29)10-13-27-14-11-26)25(31)28-12-9-20-7-8-22(32-4)23(16-20)33-6-2/h7-8,16,19,21,27H,5-6,9-15,17-18H2,1-4H3,(H,28,31)/p+1/t19-,21-/m1/s1/fC26H42N3O4/h27-28H/q+1 CC[C@@H](C)CC(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc3ccc(c(c3)OCC)OC C01[X(C26H42N3O4)] 219 C01 579 CCOc1cc(CCNC(=O)[C@H]2CN(CC32CC[NH2+]CC3)C(=O)C[C@@H](CC)C)ccc1OC CCO[C]1[CH][C]([CH][CH][C]1OC)CC[NH][C](=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)C[C@@H](CC)C CCO[C]1[CH][C]([CH][CH][C]1OC)CCNC(=O)[C@H]2CN(CC23CC[NH2]CC3)C(=O)C[C@H](C)CC InChIKey=WIJASNCDVGYMDX-TZIWHRDSSA-N InChI=1S/C26H42N3O4/c1-5-19(3)15-24(30)29-17-21(26(18-29)10-13-27-14-11-26)25(31)28-12-9-20-7-8-22(32-4)23(16-20)33-6-2/h7-8,16,19,21H,5-6,9-15,17-18,27H2,1-4H3,(H,28,31)/t19-,21-/m1/s1 InChI=1/C26H42N3O4/c1-5-19(3)15-24(30)29-17-21(26(18-29)10-13-27-14-11-26)25(31)28-12-9-20-7-8-22(32-4)23(16-20)33-6-2/h7-8,16,19,21H,5-6,9-15,17-18,27H2,1-4H3,(H,28,31)/t19-,21-/m1/s1/f/h28H 3358.0674926465 -1471.6502465 1-A 30105.6383 125 454 579 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15 16 17 18 19 20 21 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 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 6 6 6 1 6 6 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 6 6 6 6 6 6 6 8 6 6 8 6 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 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11755.9607 44268.5013 50942.2629 0.99995 0.00838 0.00456 -0.00840 0.99996 0.00263 -0.00454 -0.00267 0.99999 1 0.00737 0.00196 0.00170 0.15352 0.04077 0.03543 6.53 19.71 29.09 34.21 40.81 60.59 69.10 76.37 80.22 91.73 95.25 118.06 123.95 152.40 161.87 180.79 191.19 215.89 224.57 245.28 263.21 282.29 295.95 307.22 327.99 335.41 349.82 369.73 376.67 395.48 407.26 409.99 440.86 467.68 482.62 491.33 508.13 531.79 544.42 551.38 562.17 583.43 639.49 654.26 657.81 680.59 706.82 746.79 750.40 755.37 789.41 810.85 867.32 918.52 928.89 934.08 978.82 1010.75 1017.22 1116.56 1143.89 1157.51 1169.80 1207.91 1218.36 1232.10 1242.71 1255.24 1261.83 1294.09 1300.63 1334.36 1339.76 1357.24 1370.85 1405.97 1412.53 1416.72 1423.68 1438.59 1503.39 1510.13 1525.58 1528.81 1542.71 1557.76 1582.92 1585.42 1598.24 1601.75 1628.12 1631.12 1640.04 1640.73 1662.50 1673.63 1681.24 1698.58 1706.05 1774.50 1774.98 1781.91 1792.37 1811.46 1812.17 1844.12 1851.10 1861.53 1861.83 1871.67 1881.22 1900.50 1911.17 1915.95 1937.17 1947.42 1956.29 1968.46 1977.86 2014.80 2022.53 2034.86 2051.39 2058.28 2060.16 2081.31 2083.53 2087.38 2091.84 2094.80 2111.53 2120.56 2131.26 2161.29 2175.21 2185.10 2195.85 2204.02 2223.43 2224.64 2228.08 2241.17 2244.69 2256.44 2258.02 2259.74 2276.76 2278.55 2280.71 2290.65 2319.44 2342.44 2348.09 2350.83 2359.55 2363.98 2364.50 2365.41 2365.57 2369.28 2372.86 2376.02 2379.55 2386.97 2390.92 2393.53 2398.16 2415.66 2416.10 2431.46 2454.72 2468.07 2578.07 2608.10 2626.37 2745.39 2792.88 4574.32 4591.92 4592.83 4597.27 4597.55 4599.98 4612.53 4613.67 4614.14 4619.93 4629.62 4631.56 4648.82 4652.51 4655.79 4669.34 4672.67 4673.49 4686.91 4695.20 4702.88 4703.59 4709.39 4712.08 4718.25 4720.49 4727.54 4742.58 4745.26 4750.76 4751.93 4763.61 4772.44 4798.17 4799.53 4808.94 4830.94 4874.62 4903.27 5264.81 5364.72 5580.60 0.716604 0.749944 0.750888 0.645350 -1470.933642 -1470.900302 -1470.899358 -1471.004897 3.539795D-04 MUNgauss RevisionA2.0 retrievium 28-Dec-2020 DUDE CC[C@@H](C)CC(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc3ccc(c(c3)OCC)OC C39653527 RHF 6-31G(d) (6D,10F) C1 460.317532 |X|Y|Z| 151.883251 73.370997 40.664455 76.809762 20 6 7 17 3 |36.858105| |12.456719|36.858105| |7.381028|12.389881|36.858105| |6.824375|8.888053|17.563513|0.500000| |6.114382|7.466453|12.431595|0.247643|36.858105| |4.879864|7.598759|12.408062|0.248463|7.546997|36.858105| |3.726251|4.916389|7.438580|0.196761|6.062776|12.553222|36.858105| |3.603838|4.422848|6.680687|0.206113|5.854931|7.948880|15.870423|73.516695| |3.015195|3.836789|5.025369|0.131082|4.471400|7.745641|13.936453|15.237961|53.358707| |2.808819|3.593037|4.284262|0.107449|3.823070|6.473506|7.536088|9.424712|17.845461|36.858105| |2.299285|2.795546|3.232082|0.084538|2.990675|4.324323|5.181747|7.509101|11.087283|12.372985|36.858105| |2.227535|2.688681|3.060654|0.081898|2.759025|4.030626|4.781308|7.152209|9.421451|8.919247|17.497119|0.500000| |2.205701|2.619167|3.126130|0.083636|3.010902|3.991597|5.233317|8.200991|11.045148|7.830439|12.303146|0.248338|36.858105| |2.524388|3.034663|3.820302|0.105057|3.584438|5.003387|7.826294|12.603670|17.878015|7.874788|8.054486|0.200159|12.382724|36.858105| |2.151125|2.521775|3.003949|0.078765|3.065345|3.685187|4.585202|7.320083|8.525616|6.182028|7.430407|0.152560|12.306003|7.538654|36.858105| |1.972993|2.246440|2.671372|0.071719|2.798150|3.095512|3.837359|6.639070|6.381878|4.269361|4.846746|0.113130|7.426130|5.955870|12.506447|36.858105| |1.749947|1.970073|2.289519|0.062421|2.339215|2.627778|3.192975|5.598434|5.249490|3.624640|4.400659|0.109356|6.484212|5.022184|7.706032|12.652916|53.358707| |1.654669|1.837687|2.124974|0.058359|2.192833|2.382590|2.856933|5.122299|4.509143|3.079256|3.581434|0.091191|4.903041|4.178603|5.681863|9.158614|25.692365|0.500000| |1.666292|1.875771|2.145308|0.058003|2.183853|2.466761|2.912917|5.003450|4.800461|3.491306|4.351537|0.107611|5.912560|4.354185|7.140199|9.202460|25.647169|0.327397|0.500000| |1.778751|2.012230|2.342489|0.064873|2.320316|2.724230|3.387853|5.996215|5.669993|3.828253|4.860332|0.128984|7.442267|5.905272|6.472130|7.629851|17.232002|0.254377|0.255799|36.858105| |1.901334|2.197078|2.549140|0.069755|2.457196|3.090173|3.855143|6.462003|6.987801|5.012159|7.481477|0.201259|12.382212|7.414766|7.517147|6.485115|10.522084|0.158096|0.199244|12.513101|36.858105| |2.050229|2.445839|2.713512|0.070318|2.570261|3.446246|3.789768|5.699801|6.953884|7.316892|12.467768|0.251567|7.287258|5.008348|6.208984|4.266002|5.484837|0.092334|0.119170|4.163014|5.909424|36.858105| |1.847882|2.157615|2.389155|0.062500|2.318697|2.921043|3.237741|5.060979|5.702086|5.264254|7.968028|0.179372|6.612344|4.400075|6.353474|4.577764|6.197437|0.102896|0.143987|4.498815|6.163555|15.762170|73.516695| |2.077169|2.490773|2.670847|0.068431|2.491697|3.375332|3.471779|5.178573|5.972039|6.429828|7.836618|0.191093|5.007379|4.001358|4.494485|3.341613|4.282457|0.074993|0.092143|3.232621|4.239458|14.237644|15.143241|53.358707| |1.845469|2.161320|2.263612|0.058269|2.146636|2.734363|2.757943|4.246160|4.487621|4.340607|4.990446|0.128724|3.761875|3.093553|3.594411|2.848957|3.738776|0.066949|0.082133|2.760835|3.423322|7.760667|12.158250|17.738418|36.858105| |1.880255|2.198377|2.231992|0.057032|2.099279|2.654238|2.564165|3.948132|3.998315|3.784767|3.924258|0.103925|3.054154|2.672311|2.940448|2.401671|3.114141|0.056874|0.067097|2.300494|2.759575|5.120143|7.961098|10.568479|12.459690|36.858105| |1.660352|1.897516|1.910056|0.049228|1.821364|2.202356|2.135409|3.363752|3.257976|2.925886|3.056426|0.081865|2.525569|2.230047|2.481699|2.101833|2.766348|0.051285|0.060019|2.024326|2.356668|3.844027|6.471693|6.818577|7.555178|12.590706|36.858105| |1.605580|1.816751|1.822630|0.046790|1.767878|2.067064|1.994555|3.163562|3.003605|2.643461|2.711455|0.071322|2.315343|2.057443|2.346746|2.016185|2.631499|0.049196|0.057170|1.889283|2.151855|3.334944|5.774322|5.562623|5.607516|7.571453|13.882461|36.858105| |1.444561|1.610187|1.609898|0.041669|1.569698|1.795417|1.740723|2.800369|2.591142|2.219610|2.287528|0.060882|2.006657|1.799659|2.037939|1.793692|2.368354|0.044772|0.051478|1.698621|1.901013|2.738381|4.848918|4.354452|4.138826|5.008190|7.914615|13.630374|36.858105| |1.353722|1.501612|1.500658|0.039180|1.453126|1.669389|1.628823|2.638095|2.421351|2.054976|2.144474|0.058132|1.887614|1.698993|1.886326|1.675307|2.244049|0.042563|0.048750|1.628285|1.820214|2.542026|4.516819|4.001927|3.758418|4.416898|6.802940|7.905572|13.858354|36.858105| |1.386244|1.546656|1.548740|0.040594|1.482222|1.739139|1.703921|2.752434|2.550851|2.181729|2.306744|0.063565|1.998324|1.793975|1.954749|1.723597|2.326786|0.043905|0.050498|1.713874|1.941694|2.751565|4.834284|4.411135|4.220264|5.012868|7.863787|6.860157|7.925872|13.482667|36.858105| |1.524779|1.724474|1.732692|0.045214|1.643653|1.978881|1.936116|3.089661|2.935179|2.573764|2.736071|0.075507|2.297721|2.044801|2.218760|1.915770|2.571484|0.047999|0.055768|1.907166|2.206727|3.348717|5.735999|5.659463|5.787491|7.541712|13.579768|7.980925|6.906460|7.910385|13.848102|36.858105| |1.286626|1.424179|1.424940|0.037648|1.361107|1.587864|1.563547|2.549176|2.326151|1.956861|2.077559|0.058046|1.824898|1.652204|1.770931|1.582934|2.159718|0.041013|0.046740|1.603148|1.800962|2.422637|4.280873|3.776979|3.433927|3.859032|5.176321|4.628089|5.305251|8.173969|14.197537|7.902555|73.516695| |1.287765|1.426928|1.429447|0.037996|1.353313|1.597788|1.580643|2.582512|2.354373|1.974260|2.112991|0.060153|1.848144|1.680617|1.760777|1.574726|2.165307|0.041078|0.046675|1.631160|1.843150|2.434871|4.265148|3.780297|3.342467|3.665522|4.485774|3.789593|3.981457|5.229570|7.989854|6.696859|24.106377|36.858105| |1.174490|1.288286|1.288740|0.034460|1.224026|1.424173|1.412582|2.331164|2.084502|1.716533|1.829635|0.052207|1.632408|1.499094|1.559692|1.416327|1.958637|0.037479|0.042084|1.476347|1.643189|2.063056|3.644178|3.116184|2.655832|2.838279|3.329384|2.980989|3.204095|4.086213|5.239482|4.402460|14.379080|12.575122|36.858105| |1.240197|1.361614|1.358430|0.035652|1.320743|1.494110|1.461484|2.389383|2.154049|1.796754|1.871899|0.050972|1.677711|1.522682|1.680746|1.516440|2.042938|0.039077|0.044292|1.481053|1.633296|2.173774|3.895745|3.329602|2.995362|3.370592|4.601658|5.189102|7.896599|14.192027|8.167762|5.298222|13.165411|4.794166|4.151308|73.516695| |1.197369|1.305986|1.300955|0.034102|1.276057|1.418027|1.384054|2.271717|2.025778|1.674401|1.728327|0.046694|1.569264|1.431424|1.592466|1.449137|1.942612|0.037364|0.042052|1.395359|1.521841|1.985696|3.575171|2.996153|2.632470|2.919931|3.784034|4.508841|6.735176|8.038213|5.243671|3.988997|8.532243|3.549359|3.233671|24.203010|36.858105| |17.573792|8.727133|6.539697|0.163429|6.618476|4.408085|3.492155|6.069371|3.896305|2.663903|2.200055|0.058529|2.139208|2.425439|2.130251|1.973206|2.364698|0.045850|0.045947|1.743426|1.844102|1.979494|3.202961|2.713725|1.784065|1.811524|1.610681|1.572861|1.419404|1.324444|1.346656|1.474025|2.218761|1.242274|1.134793|2.162310|1.180892|0.500000| |17.540155|8.773541|6.779941|0.204821|5.551366|4.541215|3.669917|6.585135|3.998780|2.672773|2.222530|0.060442|2.161066|2.509479|2.086177|1.937264|2.356193|0.045670|0.045527|1.774740|1.882841|1.963596|3.161152|2.680226|1.747468|1.764016|1.563080|1.505319|1.360865|1.283542|1.319121|1.447576|2.189253|1.238585|1.134518|2.097706|1.137518|0.301555|0.500000| |17.559827|8.813283|5.430505|0.141056|4.622804|4.086963|3.188220|5.427799|3.644677|2.563198|2.129662|0.057712|2.019693|2.268595|1.965719|1.801630|2.198822|0.042481|0.043032|1.643430|1.761231|1.929710|3.097685|2.695480|1.781143|1.839419|1.636291|1.584610|1.431614|1.344542|1.375887|1.508252|2.275016|1.280820|1.170642|2.194913|1.192931|0.302783|0.301904|0.500000| |8.856159|17.490662|8.820873|0.173932|6.809181|6.923404|4.508452|6.965210|5.061686|3.659264|2.824635|0.074350|2.602877|2.923483|2.551262|2.245030|2.666484|0.050605|0.052283|1.976707|2.170139|2.527786|3.954104|3.562021|2.286190|2.359587|2.030504|1.958463|1.724573|1.593409|1.631591|1.822935|2.650224|1.482748|1.332162|2.557614|1.383277|0.212168|0.172909|0.211195|0.500000| |8.911628|17.512175|8.870165|0.213562|5.481157|7.150936|4.745881|7.517295|5.167488|3.622745|2.835282|0.077438|2.601723|3.011737|2.440445|2.160643|2.619867|0.049726|0.051071|1.995377|2.204391|2.472958|3.843297|3.468095|2.204115|2.258238|1.940004|1.835226|1.625441|1.526455|1.586060|1.776202|2.604962|1.478912|1.333966|2.457354|1.317583|0.173242|0.209325|0.218130|0.303894|0.500000| |4.635945|5.452063|8.771431|0.212251|17.579485|6.941201|6.807838|12.606745|6.754245|3.997986|3.174849|0.080485|3.333762|4.079022|3.447748|3.204388|3.562444|0.068218|0.066840|2.578739|2.690065|2.680462|4.338454|3.445404|2.165421|2.075715|1.801303|1.746202|1.552104|1.439088|1.469310|1.628767|2.401595|1.344404|1.216872|2.326871|1.263861|0.136197|0.124117|0.102824|0.140000|0.123118|0.500000| |6.754779|6.727170|8.757736|0.214208|17.589666|5.483323|4.665496|8.494683|4.917269|3.147121|2.563179|0.066645|2.597751|3.045736|2.647007|2.481464|2.874735|0.055720|0.054875|2.093818|2.183358|2.243022|3.646716|2.972906|1.916284|1.886283|1.660971|1.620779|1.453940|1.351349|1.374148|1.510762|2.255909|1.261661|1.148686|2.198618|1.199731|0.227712|0.175553|0.137591|0.165734|0.138391|0.303542|0.500000| |5.517807|6.821633|8.764749|0.173541|17.505225|6.763630|5.282013|8.500511|5.772770|3.856834|2.999145|0.075608|2.965178|3.379835|3.101867|2.787035|3.148733|0.060028|0.060733|2.256958|2.405755|2.644446|4.241872|3.532979|2.252270|2.221775|1.925994|1.887317|1.667228|1.528654|1.548459|1.718121|2.510123|1.393527|1.255614|2.462040|1.342885|0.171612|0.130930|0.122862|0.203647|0.140496|0.300255|0.301891|0.500000| |4.463100|6.744295|8.805408|0.174501|7.006673|17.530165|8.870717|10.637925|9.859412|7.150040|4.541083|0.112638|4.048226|4.699040|3.900958|3.177519|3.618747|0.066545|0.070315|2.691039|3.078194|3.750828|5.590996|5.101083|3.019641|2.954470|2.418106|2.284473|1.958648|1.797776|1.861268|2.130262|2.986790|1.675044|1.482040|2.839298|1.518361|0.116419|0.110580|0.107184|0.201092|0.170270|0.176645|0.141331|0.205756|0.500000| |4.672769|7.231193|8.804576|0.208943|5.500220|17.492955|9.061059|11.424666|9.249614|6.272475|4.295719|0.116729|3.772746|4.619843|3.343450|2.807399|3.349558|0.061959|0.064768|2.604418|3.007303|3.439801|5.106372|4.716186|2.797333|2.755395|2.268792|2.097692|1.819941|1.705299|1.795052|2.055549|2.922726|1.668398|1.483835|2.707891|1.435613|0.112105|0.122431|0.113625|0.180167|0.227098|0.140031|0.122864|0.140897|0.304222|0.500000| |2.845138|3.639971|4.272994|0.103134|4.010228|6.200881|6.456205|8.355520|12.282182|17.549831|8.727264|0.175097|6.467037|6.093923|6.243958|4.257031|4.751285|0.083087|0.094866|3.483845|4.331061|6.948902|9.273093|8.779537|4.516171|4.000007|3.079686|2.844390|2.358186|2.141182|2.237327|2.633826|3.522146|1.966864|1.705291|3.311903|1.749248|0.076297|0.073722|0.072196|0.107077|0.098882|0.115351|0.090735|0.118082|0.217964|0.156586|0.500000| |2.944986|3.846770|4.374737|0.109582|3.682770|6.730741|6.751909|8.595126|12.292629|17.583482|8.711398|0.224852|5.691334|5.971226|4.593901|3.446328|4.149728|0.073601|0.082347|3.266671|4.183354|6.223323|8.027190|8.627140|4.339636|3.993823|3.032339|2.690397|2.251475|2.097857|2.251550|2.682877|3.594631|2.056948|1.780557|3.250487|1.692929|0.075910|0.077484|0.075608|0.108946|0.112241|0.102674|0.085214|0.102808|0.201903|0.207722|0.302355|0.500000| |2.427686|2.882901|3.547748|0.100914|3.223580|4.514046|6.660528|11.570318|12.332507|6.344808|6.822705|0.201487|8.737440|17.519581|5.509881|4.755403|6.045080|0.105764|0.108241|5.679161|7.132851|4.464942|7.017713|5.016205|2.898170|2.528683|2.127434|1.945411|1.715212|1.638201|1.744675|1.984361|2.885065|1.668953|1.496097|2.621383|1.380302|0.064001|0.068027|0.061062|0.075950|0.081330|0.099548|0.077873|0.083280|0.113716|0.122657|0.135453|0.151112|0.500000| |2.516186|2.959344|3.801144|0.106276|3.741075|4.657765|7.282467|13.731796|12.468614|5.832373|5.713135|0.142767|8.594952|17.633686|7.121271|6.652980|7.188420|0.126215|0.121119|5.893452|6.186094|4.074648|6.696109|4.558818|2.701886|2.369998|2.019411|1.892649|1.672897|1.577464|1.649627|1.855942|2.711268|1.543568|1.388484|2.533232|1.350211|0.068114|0.070074|0.062220|0.078563|0.079875|0.123668|0.089067|0.096331|0.120393|0.114885|0.140393|0.129355|0.303589|0.500000| |2.387705|2.836801|3.450535|0.088301|3.616711|4.282117|5.299814|8.179455|9.626403|6.794188|6.662372|0.137372|8.754336|7.203919|17.577947|9.023938|7.645740|0.127230|0.144646|4.891311|5.489038|5.522099|9.343053|5.897404|3.463476|2.936613|2.463667|2.355702|2.034823|1.864477|1.916572|2.174342|3.071394|1.707919|1.512484|2.950437|1.581636|0.066172|0.063673|0.060001|0.080452|0.074871|0.114706|0.084691|0.103379|0.129991|0.103524|0.210611|0.136525|0.142630|0.197476|0.500000| |1.999724|2.329590|2.691122|0.070061|2.739614|3.259889|3.811545|6.049177|6.795985|5.498813|6.955473|0.143537|8.782743|5.528095|17.629115|8.936056|9.404525|0.144975|0.208515|5.605154|6.636911|7.178512|14.888693|6.824708|4.114036|3.237417|2.739193|2.601025|2.242717|2.060522|2.127406|2.422273|3.394982|1.882909|1.656166|3.242030|1.725446|0.055092|0.053517|0.051359|0.066390|0.062920|0.083391|0.066482|0.078453|0.097913|0.083855|0.161938|0.118620|0.123005|0.141795|0.303268|0.500000| |2.067623|2.341242|2.842512|0.077524|3.007020|3.240343|4.156637|7.554999|6.622830|4.095480|4.388445|0.105962|6.595899|6.401341|8.699263|17.633934|12.449420|0.222941|0.181136|7.047444|5.735488|3.693048|6.735810|4.075049|2.549358|2.201700|1.930919|1.851539|1.655708|1.552847|1.598974|1.770978|2.625893|1.475589|1.334707|2.511114|1.352236|0.057532|0.056933|0.051968|0.064067|0.062212|0.098221|0.074264|0.081331|0.090004|0.080594|0.111178|0.093068|0.142070|0.229627|0.214107|0.173205|0.500000| |1.889490|2.127335|2.494909|0.066438|2.673468|2.822823|3.353406|5.800276|5.336378|3.692666|4.037528|0.095106|5.435713|4.563785|8.788099|17.627170|12.357802|0.224013|0.222317|5.590950|4.875836|3.786779|7.358519|4.182901|2.705283|2.306085|2.049228|1.998790|1.788992|1.660365|1.688461|1.859663|2.751097|1.525698|1.376062|2.682230|1.453754|0.053043|0.051263|0.048098|0.059626|0.056372|0.084510|0.066547|0.075197|0.081748|0.070877|0.106530|0.084791|0.104879|0.139773|0.212243|0.218067|0.301378|0.500000| |1.852373|2.085970|2.464310|0.069302|2.445481|2.832440|3.617858|6.673635|5.865577|3.716330|4.410762|0.118745|6.634757|6.369971|5.747545|7.056916|12.436387|0.222191|0.181034|17.618190|8.712491|3.633398|6.666110|3.975239|2.489495|2.126480|1.872843|1.754588|1.582156|1.516634|1.592350|1.765665|2.656084|1.521878|1.384457|2.462026|1.309462|0.050426|0.051798|0.047217|0.056243|0.057297|0.076534|0.061492|0.064994|0.076116|0.074649|0.093203|0.088733|0.175757|0.193810|0.129961|0.131554|0.215567|0.144791|0.500000| |1.624005|1.817493|2.079915|0.057851|2.053903|2.380902|2.873647|5.110791|4.657187|3.230304|4.046859|0.111456|5.441595|4.525754|4.862383|5.589282|12.354136|0.224070|0.222040|17.626830|8.775709|3.662865|7.174680|3.989368|2.579137|2.159184|1.931129|1.801937|1.637604|1.584572|1.671990|1.845080|2.806014|1.613313|1.470926|2.579049|1.365249|0.044194|0.045120|0.041989|0.049617|0.050321|0.062627|0.052106|0.055595|0.065305|0.064057|0.082382|0.079083|0.126802|0.124432|0.107608|0.125894|0.144800|0.126490|0.301001|0.500000| |1.777992|2.045934|2.323607|0.062960|2.247393|2.794011|3.326239|5.495857|5.874514|4.568068|7.017763|0.187510|8.848159|5.479310|6.674857|5.643537|9.465956|0.145525|0.210733|8.917129|17.597126|6.707781|14.146363|6.321429|3.846085|2.982798|2.561163|2.323560|2.050242|1.968606|2.110011|2.406418|3.470106|1.995838|1.768196|3.126804|1.629579|0.048001|0.048597|0.046158|0.056785|0.057132|0.067355|0.055786|0.062012|0.078878|0.076214|0.113788|0.108571|0.145554|0.130470|0.137125|0.190969|0.131827|0.126906|0.173003|0.216350|0.500000| |1.895660|2.187165|2.521602|0.070030|2.376019|3.051868|3.799788|6.450770|6.704487|4.730087|6.745804|0.214014|8.788516|6.989656|5.482593|4.883147|7.645758|0.127094|0.145132|8.994260|17.565621|5.196189|9.061967|5.414425|3.225149|2.656460|2.271925|2.052350|1.822187|1.763558|1.900269|2.160822|3.163811|1.845257|1.651592|2.821922|1.471876|0.050591|0.052550|0.048926|0.059389|0.061806|0.071558|0.058998|0.063874|0.082565|0.084579|0.109681|0.115554|0.222095|0.157822|0.123213|0.136655|0.129107|0.107592|0.212761|0.212104|0.303449|0.500000| |2.247837|2.741560|2.906638|0.074069|2.637495|3.756632|3.744281|5.472318|6.347327|7.136766|7.492109|0.196323|4.689257|4.032842|4.077055|3.087206|3.918776|0.069407|0.082350|3.010184|3.903192|9.434302|10.887749|26.064466|9.003208|7.477175|4.725543|3.833364|3.023794|2.799631|3.104171|3.983902|4.770495|2.718343|2.248271|4.164810|2.109216|0.059230|0.058973|0.059690|0.080155|0.079160|0.073391|0.063897|0.076070|0.116055|0.110662|0.190317|0.223220|0.104875|0.092860|0.112758|0.119554|0.078953|0.078508|0.077431|0.075735|0.113518|0.105349|0.500000| |1.707101|1.976645|2.069964|0.054032|1.958002|2.469777|2.527284|3.960511|4.087553|3.795000|4.544722|0.123843|3.541553|2.910851|3.302756|2.695168|3.656315|0.065792|0.080958|2.747926|3.407065|6.739253|11.507397|12.379517|17.574921|8.807586|6.897429|5.012087|3.968313|3.820279|4.509009|6.224479|6.685110|3.769788|2.946019|5.462958|2.644148|0.045752|0.045294|0.045877|0.057380|0.056314|0.055080|0.048979|0.056403|0.074017|0.070683|0.105292|0.105858|0.077501|0.070803|0.086234|0.104106|0.067166|0.070747|0.068272|0.072769|0.108965|0.090756|0.194431|0.500000| |1.784143|2.072243|2.183704|0.056071|2.116071|2.602464|2.642990|4.105491|4.280642|4.027398|4.607191|0.114118|3.695490|2.990412|3.748334|2.985179|3.893143|0.069780|0.087038|2.780116|3.363899|7.139961|12.877938|12.505601|17.633847|8.829720|6.864505|5.881081|4.344794|3.794048|4.028012|5.147679|5.799556|3.076686|2.495131|5.404372|2.726724|0.048405|0.046865|0.047688|0.061111|0.057888|0.059681|0.052583|0.062163|0.080406|0.072352|0.120880|0.107205|0.076508|0.073944|0.100218|0.124260|0.072950|0.080389|0.069108|0.072091|0.106053|0.085600|0.182810|0.303420|0.500000| |2.029698|2.394198|2.413447|0.060717|2.281669|2.875355|2.711678|4.128691|4.181003|3.996803|3.900288|0.100217|3.057875|2.718623|3.014176|2.444583|3.095529|0.056629|0.066130|2.257823|2.680275|4.887020|7.486405|9.686494|8.885372|17.545223|8.901938|7.208912|4.732504|3.966897|4.196627|5.629836|5.881311|3.104880|2.492332|5.520796|2.787683|0.054518|0.052302|0.055144|0.072685|0.067741|0.062134|0.056618|0.068131|0.091269|0.082124|0.122903|0.117118|0.070373|0.067422|0.086013|0.091564|0.062508|0.065680|0.058517|0.058239|0.078959|0.071031|0.200087|0.173614|0.212942|0.500000| |1.925951|2.260531|2.272154|0.058384|2.094234|2.712900|2.597848|3.995010|4.016795|3.789494|3.875797|0.107031|2.974866|2.665908|2.770816|2.279075|2.972908|0.054437|0.063320|2.241709|2.704613|4.762113|7.182308|9.677574|8.858449|17.505791|8.897653|5.727977|4.234557|3.974372|4.718516|7.077930|6.775829|3.805444|2.931418|5.557341|2.688987|0.050989|0.050333|0.052608|0.066956|0.065593|0.057168|0.052357|0.060959|0.082665|0.080177|0.107157|0.116236|0.071347|0.065168|0.076816|0.082578|0.058815|0.060119|0.058061|0.058604|0.080156|0.073996|0.218327|0.210576|0.173606|0.302961|0.500000| |1.692899|1.922030|1.929769|0.049096|1.890037|2.187480|2.095190|3.306140|3.147196|2.779581|2.792710|0.071996|2.395743|2.132316|2.477840|2.115948|2.715992|0.050727|0.058856|1.926434|2.185259|3.415401|5.884998|5.641603|5.404224|6.980943|8.942689|17.704329|8.918191|5.648890|4.944559|5.649652|6.523768|3.129746|2.552309|7.456033|3.918339|0.046329|0.043805|0.046286|0.058130|0.053434|0.051762|0.047965|0.056683|0.068128|0.060990|0.085218|0.077789|0.055337|0.054733|0.070142|0.076542|0.053885|0.058723|0.049840|0.050595|0.065039|0.057335|0.107913|0.126682|0.165862|0.216909|0.145034|0.500000| |1.402872|1.552468|1.549744|0.040078|1.525541|1.710577|1.655526|2.676635|2.444566|2.068388|2.112152|0.055868|1.883522|1.699382|1.938899|1.724481|2.267141|0.043119|0.049205|1.611399|1.781210|2.489342|4.440925|3.863967|3.524652|4.097575|5.657981|8.926527|17.763799|8.952642|5.631053|4.973201|7.600266|3.323233|2.806114|12.563979|7.496613|0.038516|0.036660|0.038651|0.046296|0.043252|0.041880|0.039424|0.045185|0.051886|0.047812|0.061468|0.057857|0.044838|0.044268|0.054096|0.059149|0.044306|0.048206|0.041846|0.043149|0.053057|0.047242|0.074717|0.092960|0.105041|0.112783|0.097782|0.217222|0.500000| |1.539736|1.746322|1.758136|0.046147|1.650175|2.020090|1.987042|3.171573|3.024437|2.654447|2.857191|0.080763|2.371424|2.115944|2.236939|1.928232|2.609045|0.048577|0.056366|1.966751|2.300149|3.464229|5.843736|5.877610|5.764664|7.040659|8.901374|5.678136|4.971531|5.630453|8.973773|17.744420|12.627653|7.489403|4.703058|7.604663|3.330936|0.041091|0.040798|0.042286|0.050879|0.050389|0.045474|0.042094|0.047529|0.059806|0.058915|0.073853|0.077828|0.057698|0.052921|0.060452|0.067216|0.049703|0.051447|0.050583|0.053020|0.069711|0.063439|0.117168|0.185075|0.133679|0.143118|0.211451|0.124345|0.107905|0.500000| |1.349695|1.499924|1.492084|0.039621|1.401409|1.670867|1.638842|2.666965|2.431231|2.047687|2.164717|0.062009|1.872030|1.718386|1.769287|1.573021|2.147980|0.040667|0.045988|1.626804|1.849035|2.467903|4.233347|3.894783|3.389041|3.864755|4.601068|3.776304|3.824883|4.785018|7.114865|6.788970|16.537608|17.536500|8.843837|7.571413|3.259825|0.036004|0.036007|0.037422|0.043337|0.043451|0.038482|0.036262|0.040066|0.048628|0.048863|0.056479|0.060078|0.047531|0.043673|0.047956|0.052173|0.041138|0.042163|0.042386|0.044449|0.055137|0.051716|0.079534|0.104283|0.084624|0.090934|0.116472|0.087311|0.088727|0.227746|0.500000| |1.308750|1.456401|1.472100|0.039200|1.392806|1.657836|1.657175|2.705726|2.494344|2.099835|2.293280|0.065690|1.998558|1.796295|1.889902|1.684876|2.336905|0.044150|0.050643|1.769734|2.015530|2.678401|4.733302|4.137839|3.697680|3.866557|4.582422|3.754784|3.799559|4.751727|7.076259|6.772734|16.534019|17.530694|8.845531|7.523021|3.236168|0.035051|0.035049|0.035976|0.041893|0.041918|0.038633|0.035947|0.039732|0.048191|0.048055|0.057703|0.060473|0.049661|0.045598|0.050428|0.056411|0.043644|0.045143|0.045532|0.048808|0.061305|0.056134|0.081476|0.121292|0.093605|0.088925|0.111050|0.086832|0.088148|0.228578|0.300809|0.500000| |1.126388|1.232427|1.238872|0.033155|1.183889|1.366130|1.362899|2.257097|2.014565|1.651121|1.771386|0.050291|1.597064|1.459102|1.536611|1.404469|1.952652|0.037477|0.042146|1.464632|1.618735|2.004567|3.593061|2.986361|2.550802|2.662339|3.128353|2.868433|3.136284|4.004697|4.883998|4.024242|12.966406|8.867312|17.583167|7.511796|3.324055|0.030337|0.030258|0.031106|0.035372|0.035286|0.032811|0.030893|0.033741|0.039495|0.039301|0.045677|0.047132|0.040364|0.037690|0.041236|0.045510|0.036665|0.038049|0.038036|0.040724|0.048613|0.044990|0.059140|0.078839|0.067774|0.065320|0.074768|0.068625|0.077325|0.115615|0.173388|0.212133|0.500000| |1.152160|1.258454|1.250718|0.033409|1.189158|1.373412|1.352688|2.234528|1.980954|1.625465|1.710196|0.048584|1.530345|1.416496|1.469718|1.337761|1.838480|0.035278|0.039350|1.380592|1.528748|1.911721|3.359349|2.891151|2.442601|2.661669|3.133982|2.877584|3.149809|4.023401|4.895502|4.027281|12.963602|8.868981|17.585228|7.557035|3.348590|0.030948|0.030867|0.032026|0.036227|0.036186|0.032718|0.031093|0.033945|0.039735|0.039740|0.045064|0.046946|0.039198|0.036583|0.039853|0.043198|0.035143|0.036215|0.036146|0.038091|0.045364|0.042622|0.058387|0.073553|0.064123|0.066100|0.076357|0.068853|0.077698|0.115509|0.212176|0.173416|0.301121|0.500000| |1.163480|1.274837|1.276186|0.034280|1.206697|1.409774|1.402618|2.322019|2.066835|1.692486|1.808423|0.052138|1.616404|1.492172|1.529860|1.393067|1.935157|0.037063|0.041430|1.471374|1.638039|2.015132|3.545028|3.020658|2.520013|2.656535|2.997033|2.655871|2.775154|3.382292|4.241811|3.843673|10.255656|8.875805|17.553963|5.991735|2.733549|0.031136|0.031334|0.032216|0.036433|0.036810|0.033346|0.031488|0.034220|0.040489|0.040971|0.046296|0.048935|0.041669|0.038349|0.041106|0.044843|0.036604|0.037422|0.038417|0.040862|0.048812|0.046126|0.060962|0.078006|0.065164|0.064990|0.077494|0.064277|0.068218|0.118506|0.212458|0.212554|0.300321|0.300361|0.500000| |1.198271|1.307824|1.310854|0.034326|1.293945|1.430072|1.402925|2.304129|2.060849|1.702200|1.765711|0.047351|1.613731|1.461959|1.654541|1.509263|2.023457|0.038945|0.044026|1.441268|1.565982|2.042607|3.723339|3.052320|2.691673|2.913007|3.729143|4.567853|6.729390|7.042102|4.738246|3.788414|7.507791|3.227717|2.925298|16.437807|17.555384|0.032938|0.031621|0.033031|0.038489|0.036480|0.035737|0.033754|0.037898|0.042640|0.039974|0.049648|0.047374|0.038976|0.038404|0.045571|0.050155|0.038931|0.042302|0.037442|0.039172|0.046759|0.041782|0.058987|0.074768|0.079289|0.077703|0.073132|0.113181|0.225540|0.087998|0.082010|0.084618|0.084642|0.082012|0.069835|0.500000| 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