Version2.0 2020-04-13T09:27:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(cc1)CCC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H]4c5ccccc5CCO4 C39669197 RHF 6-31G(d) (6D,7F) COc1ccc(cc1)CCC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H]4c5ccccc5CCO4 C01[X(C29H38N3O4)] 216 C1 616 COc1ccc(cc1)CCC(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@H]1OCCc2c1cccc2 COc1ccc(cc1)CCC(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@H]1OCCc2c1cccc2 COc1ccc(CCC(=O)N2C[C@@H](C(=O)NC[C@H]3OCCc4ccccc34)C5(CC[NH2+]CC5)C2)cc1 InChIKey=XGRLULWPXVEMRG-IZZNHLLZSA-O InChI=1S/C29H37N3O4/c1-35-23-9-6-21(7-10-23)8-11-27(33)32-19-25(29(20-32)13-15-30-16-14-29)28(34)31-18-26-24-5-3-2-4-22(24)12-17-36-26/h2-7,9-10,25-26,30H,8,11-20H2,1H3,(H,31,34)/p+1/t25-,26+/m0/s1 InChI=1/C29H37N3O4/c1-35-23-9-6-21(7-10-23)8-11-27(33)32-19-25(29(20-32)13-15-30-16-14-29)28(34)31-18-26-24-5-3-2-4-22(24)12-17-36-26/h2-7,9-10,25-26,30H,8,11-20H2,1H3,(H,31,34)/p+1/t25-,26+/m0/s1/fC29H38N3O4/h30-31H/q+1 COc1ccc(cc1)CCC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H]4c5ccccc5CCO4 C01[X(C29H38N3O4)] 216 C01 616 COc1ccc(cc1)CCC(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@H]1OCCc2c1cccc2 COc1ccc(cc1)CCC(=O)N1C[C@H](C2(C1)CC[NH2]CC2)C(=O)NC[C@H]1OCCc2c1cccc2 COc1ccc(CCC(=O)N2C[C@@H](C(=O)NC[C@H]3OCCc4ccccc34)C5(CC[NH2]CC5)C2)cc1 InChIKey=RCKOWZWDFOUHIT-IZZNHLLZSA-N InChI=1S/C29H38N3O4/c1-35-23-9-6-21(7-10-23)8-11-27(33)32-19-25(29(20-32)13-15-30-16-14-29)28(34)31-18-26-24-5-3-2-4-22(24)12-17-36-26/h2-7,9-10,25-26H,8,11-20,30H2,1H3,(H,31,34)/t25-,26+/m0/s1 InChI=1/C29H38N3O4/c1-35-23-9-6-21(7-10-23)8-11-27(33)32-19-25(29(20-32)13-15-30-16-14-29)28(34)31-18-26-24-5-3-2-4-22(24)12-17-36-26/h2-7,9-10,25-26H,8,11-20,30H2,1H3,(H,31,34)/t25-,26+/m0/s1/f/h31H 3712.4911219919 -1582.9384417 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73 74 6 8 6 6 6 6 6 6 6 6 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 6 1 6 6 6 6 6 6 6 6 8 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 18695.3514 39277.2170 53489.7637 0.99998 0.00612 0.00140 -0.00613 0.99997 0.00479 -0.00137 -0.00480 0.99999 1 0.00463 0.00221 0.00162 0.09653 0.04595 0.03374 8.13 16.14 22.55 33.91 39.83 43.51 57.58 64.04 87.17 99.82 110.21 125.06 139.09 159.80 175.69 188.72 213.88 241.00 258.47 268.15 296.73 333.32 344.83 355.39 364.52 379.94 401.13 407.72 431.33 467.87 488.46 523.34 528.89 536.39 548.87 618.16 623.98 655.05 672.12 674.15 693.08 694.77 721.13 738.96 755.00 762.12 815.04 823.82 843.78 855.58 884.09 903.76 918.15 942.93 990.99 1009.64 1023.98 1087.17 1105.09 1144.79 1146.48 1196.74 1201.57 1224.00 1226.53 1236.24 1248.42 1261.76 1270.21 1281.16 1301.87 1330.65 1341.35 1352.38 1363.99 1374.35 1388.18 1408.47 1428.82 1447.88 1474.00 1518.80 1525.10 1529.97 1545.73 1552.86 1564.47 1569.73 1576.41 1586.15 1592.15 1601.61 1620.91 1635.49 1638.41 1642.94 1658.79 1659.51 1672.78 1694.53 1699.44 1710.45 1729.65 1738.66 1746.08 1767.12 1779.20 1789.00 1801.65 1833.78 1853.69 1861.59 1873.83 1875.77 1893.76 1900.82 1901.84 1903.77 1920.50 1930.31 1935.46 1947.86 1948.49 1948.91 1972.35 1982.13 1993.39 2028.00 2038.65 2047.17 2063.55 2070.47 2073.59 2085.49 2089.95 2093.37 2107.60 2117.37 2155.27 2163.37 2165.67 2183.81 2187.93 2208.68 2221.57 2235.71 2241.41 2245.53 2254.31 2264.01 2276.99 2279.41 2280.84 2317.94 2334.82 2337.75 2344.88 2347.20 2357.03 2360.63 2366.42 2368.62 2375.42 2386.90 2387.99 2392.56 2403.93 2412.67 2429.10 2445.13 2473.28 2556.91 2563.43 2609.59 2625.58 2629.35 2766.28 2792.62 4551.71 4594.84 4601.76 4612.43 4613.13 4618.13 4618.53 4640.31 4656.93 4664.16 4668.63 4671.17 4680.98 4696.81 4706.64 4709.31 4719.29 4722.54 4729.26 4733.39 4738.68 4764.22 4793.24 4795.99 4804.32 4812.69 4814.93 4816.49 4821.76 4829.33 4835.74 4857.99 4880.64 4881.88 4898.94 5276.83 5368.41 5584.78 0.692269 0.723623 0.724567 0.622404 -1582.246173 -1582.214819 -1582.213875 -1582.316038 3.426564D-04 MUNgauss RevisionA2.0 retrievium 13-Apr-2020 DUDE COc1ccc(cc1)CCC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H]4c5ccccc5CCO4 C39669197 RHF 6-31G(d) (6D,10F) C1 492.286232 |X|Y|Z| 141.636774 95.859707 38.064769 80.250012 32 6 7 8 28 3 1 |36.858105| |13.603671|73.516695| |8.014540|25.151011|36.858105| |5.258881|14.582338|13.668033|36.858105| |3.989208|9.424450|7.933446|13.840983|36.858105| |3.771343|8.158610|6.785484|7.874368|13.648734|36.858105| |4.508842|9.240770|7.940104|6.918782|8.022934|13.777082|36.858105| |6.716932|13.987435|13.758276|7.947264|6.896048|7.854368|13.695582|36.858105| |2.912738|5.979190|4.408709|5.004159|7.517563|12.585057|7.536829|4.990843|36.858105| |2.626398|5.312194|3.750473|4.200214|5.741467|7.549850|5.609245|4.134569|12.430672|36.858105| |2.181120|4.304180|2.905127|3.191672|4.071439|4.909205|4.024483|3.161148|7.500676|12.564316|36.858105| |2.053779|4.017511|2.687022|2.928251|3.687477|4.434532|3.708761|2.932305|6.813530|7.963142|15.864270|73.516695| |1.983876|3.877117|2.547889|2.773051|3.373276|3.829248|3.293921|2.722722|5.030533|7.757928|13.950101|15.209509|53.358707| |2.016161|3.937086|2.557628|2.767392|3.267675|3.587886|3.163622|2.698064|4.281757|6.507487|7.557549|9.426382|17.848494|36.858105| |1.742308|3.350191|2.121565|2.264796|2.587225|2.780687|2.527259|2.220738|3.218911|4.308433|5.134990|7.425914|10.931552|12.285825|36.858105| |1.693748|3.263716|2.043842|2.192433|2.467824|2.582088|2.348670|2.104255|2.900118|3.764246|4.216040|6.239665|8.046140|8.749993|17.568952|0.500000| |1.618566|3.113140|1.969881|2.117804|2.440127|2.620995|2.354706|2.057801|3.123899|4.002874|5.248715|8.211553|11.083844|7.795535|12.256986|0.242015|36.858105| |1.731950|3.337081|2.147134|2.306884|2.723240|3.031313|2.692847|2.284311|3.831011|5.010129|7.828947|12.547168|17.911435|7.881303|7.919926|0.158801|12.389399|36.858105| |1.582038|3.074650|1.935295|2.121532|2.444182|2.538402|2.236720|1.977797|2.984379|3.706568|4.617168|7.382739|8.576995|6.136665|7.583112|0.205530|12.314156|7.514202|36.858105| |1.458077|2.822552|1.765513|1.932487|2.214624|2.291553|2.027152|1.800812|2.695788|3.158670|3.936051|6.844941|6.520802|4.285339|4.881002|0.130580|7.414890|6.033708|12.500277|36.858105| |1.333201|2.549909|1.580185|1.701380|1.917800|1.998550|1.809516|1.621879|2.313709|2.666076|3.258892|5.757738|5.328333|3.610477|4.361537|0.116783|6.445561|5.110443|7.680177|12.645027|53.358707| |1.271424|2.426861|1.498473|1.611634|1.809459|1.879961|1.706697|1.535412|2.167590|2.437899|2.945615|5.337761|4.615442|3.088396|3.566823|0.095650|4.909752|4.291230|5.673588|9.170675|25.685538|0.500000| |1.292043|2.467187|1.519059|1.632478|1.822230|1.882604|1.714300|1.551186|2.142481|2.468772|2.927502|5.071873|4.785304|3.412072|4.230591|0.119048|5.759880|4.349349|7.005455|9.197153|25.678775|0.328360|0.500000| |1.350399|2.563443|1.593435|1.694143|1.909869|2.030954|1.863190|1.659011|2.368982|2.756738|3.443805|6.112541|5.755251|3.838678|4.828289|0.121091|7.483419|6.037561|6.511513|7.580706|17.191210|0.254317|0.255663|36.858105| |1.445202|2.744415|1.712303|1.814680|2.047768|2.191689|2.017154|1.790834|2.549827|3.087471|3.851779|6.450338|6.974110|4.977695|7.340743|0.173298|12.386875|7.414906|7.616899|6.477295|10.448747|0.157514|0.195468|12.513968|36.858105| |1.690547|3.193169|2.004815|2.084769|2.334382|2.548205|2.404796|2.132123|2.886100|3.714562|4.253583|6.423607|7.932284|7.598959|12.461194|0.246908|7.366742|6.014161|4.915440|3.724867|4.941330|0.085370|0.098920|4.289384|6.450814|36.858105| |1.650773|3.092538|1.944610|2.001883|2.244514|2.495016|2.384476|2.097379|2.863770|3.596232|4.247996|6.677836|7.563567|6.098813|7.973798|0.164165|6.545415|6.209273|4.319928|3.515772|4.805229|0.084576|0.093756|4.414806|6.383938|15.792168|73.516695| |1.665551|3.126149|1.936509|1.996565|2.188007|2.349018|2.251748|2.042815|2.563723|3.209795|3.438988|5.254822|5.927555|5.770165|7.876326|0.212687|5.134191|4.274666|3.990857|3.119192|4.175060|0.073578|0.086257|3.463971|4.788995|14.232133|15.078914|53.358707| |1.607523|2.970514|1.820571|1.842247|1.985519|2.139873|2.104531|1.935153|2.292042|2.766872|2.898381|4.555921|4.692442|4.198364|5.008312|0.134341|3.812363|3.409989|3.087350|2.559665|3.499437|0.063299|0.072219|2.916875|3.774822|7.746391|12.002410|17.847642|36.858105| |1.476361|2.719258|1.642633|1.663543|1.768166|1.869229|1.838639|1.721029|1.971246|2.322142|2.405425|3.842560|3.814984|3.343710|3.972008|0.114355|3.193089|2.800104|2.738928|2.318427|3.212879|0.058659|0.067791|2.609662|3.257398|5.225953|8.160922|10.655198|12.486546|36.858105| |1.385428|2.558842|1.545184|1.575125|1.680487|1.770066|1.726940|1.612254|1.882959|2.208080|2.330126|3.762323|3.725450|3.203900|3.963340|0.115485|3.301283|2.817867|2.840637|2.425797|3.439576|0.062587|0.073580|2.810070|3.520755|5.107069|8.053718|9.626390|8.896480|17.472407|0.500000| |1.412349|2.569508|1.537692|1.537830|1.615569|1.709353|1.707957|1.616565|1.780912|2.048477|2.096782|3.403056|3.221365|2.722689|3.071630|0.086530|2.590825|2.361036|2.261134|1.971933|2.743586|0.050997|0.057504|2.221644|2.660552|3.867097|6.508494|6.833408|7.531256|12.519687|0.246906|36.858105| |1.351869|2.445834|1.464872|1.458142|1.534742|1.637211|1.645294|1.551825|1.716102|1.952178|2.020373|3.327932|3.073004|2.517397|2.823632|0.077358|2.464716|2.292067|2.128709|1.891345|2.665273|0.049935|0.055410|2.193991|2.588102|3.580320|6.408638|5.848331|6.230433|7.546241|0.186092|13.675973|36.858105| |1.288277|2.311322|1.373458|1.357359|1.416371|1.507051|1.527778|1.454596|1.564838|1.749682|1.794024|2.984622|2.675204|2.154724|2.354438|0.064524|2.099032|1.986318|1.846008|1.666188|2.343632|0.044417|0.048591|1.909415|2.192501|2.866203|5.181558|4.493578|4.372025|5.010461|0.127822|7.894956|13.798435|36.858105| |1.276927|2.282600|1.345381|1.325525|1.370454|1.446240|1.470957|1.416052|1.483540|1.648317|1.666291|2.765758|2.464507|1.995919|2.147889|0.059685|1.908068|1.805585|1.709426|1.543531|2.151378|0.040899|0.044746|1.723261|1.962496|2.540268|4.489027|4.007960|3.751349|4.425660|0.110948|6.845313|7.960361|13.730847|36.858105| |1.325197|2.378013|1.398688|1.382233|1.424782|1.492786|1.512582|1.462101|1.522504|1.702360|1.706095|2.805121|2.535865|2.090628|2.248723|0.063541|1.963303|1.837011|1.774474|1.585551|2.191356|0.041468|0.045821|1.736203|1.992857|2.634025|4.518933|4.281197|3.981922|5.009359|0.120758|7.937865|6.916045|7.959771|13.799221|36.858105| |1.395302|2.526509|1.496307|1.489910|1.546254|1.619635|1.626908|1.561533|1.661300|1.887860|1.897750|3.084962|2.867813|2.418055|2.647611|0.075732|2.253240|2.071080|2.022016|1.776432|2.447949|0.045859|0.051417|1.941934|2.276080|3.155974|5.263594|5.402607|5.228186|7.528344|0.165870|13.696958|7.924595|6.837725|7.892646|13.689230|36.858105| |1.434180|2.611848|1.539974|1.542080|1.591901|1.646152|1.643015|1.588097|1.673711|1.907305|1.893902|3.053864|2.864549|2.457387|2.668234|0.078536|2.242433|2.038648|2.057789|1.792151|2.438364|0.045581|0.051546|1.896523|2.220621|3.055740|4.922376|5.285913|4.650684|6.521723|0.147814|7.573485|5.023017|4.431408|5.011353|7.539378|12.588704|36.858105| |1.437943|2.650463|1.574206|1.598399|1.666812|1.716374|1.686134|1.614649|1.764228|2.040354|2.049420|3.279848|3.167161|2.774649|3.122352|0.095209|2.574835|2.266336|2.374659|2.033349|2.767881|0.051174|0.059218|2.139646|2.550500|3.540347|5.474276|6.389860|5.248177|8.021656|0.190491|6.868429|4.600369|3.802550|3.923350|5.070638|7.686445|12.559060|36.858105| |1.536159|2.846262|1.712472|1.743886|1.842307|1.919535|1.877291|1.772460|1.998125|2.363351|2.394977|3.778871|3.788057|3.425049|3.967591|0.120804|3.106970|2.699127|2.768839|2.309422|3.128009|0.057048|0.066467|2.459950|3.040218|4.762400|7.042583|9.721261|8.183340|13.557716|0.260187|7.806343|5.112673|3.926724|3.786703|4.565471|6.846247|7.991913|13.549954|73.516695| |17.558921|16.433700|7.015678|4.743725|3.782559|3.711471|4.562306|6.714184|2.902439|2.683341|2.222061|3.684077|2.773714|2.095413|1.809588|0.048818|1.662091|1.773814|1.609445|1.472227|1.839079|0.035661|0.036436|1.376816|1.485040|1.774040|3.077803|2.395497|1.710955|1.567131|0.040570|1.504846|1.437779|1.371373|1.362507|1.416514|1.490670|1.531514|1.525295|2.901550|0.500000| |17.651376|16.998865|5.883943|4.418135|3.416007|3.170535|3.615462|4.899939|2.535251|2.321080|1.963387|3.298761|2.459836|1.844236|1.614171|0.043902|1.503575|1.593605|1.478979|1.368793|1.709339|0.033347|0.033933|1.266842|1.351176|1.566400|2.712357|2.112978|1.502390|1.393758|0.036417|1.338310|1.279574|1.224311|1.219556|1.267921|1.330192|1.372673|1.373546|2.586298|0.300040|0.500000| |17.563503|16.438840|7.058680|4.783360|3.810421|3.732219|4.579549|6.725301|2.912689|2.566359|2.153120|3.655603|2.640536|1.942064|1.683740|0.045167|1.579503|1.705267|1.538270|1.428543|1.783027|0.034822|0.035138|1.331069|1.416454|1.639125|2.872110|2.182144|1.551447|1.420582|0.037150|1.362681|1.314163|1.255203|1.239162|1.277438|1.340213|1.366711|1.369257|2.604764|0.298853|0.299975|0.500000| |4.875126|13.500431|8.954549|17.735016|8.897566|5.607609|4.977279|5.666204|4.075630|3.578577|2.837667|4.659729|3.437813|2.544105|2.122121|0.057838|1.992964|2.134573|2.028103|1.858173|2.227080|0.043184|0.043844|1.613020|1.718608|1.944444|3.299308|2.554480|1.731318|1.582857|0.041791|1.464497|1.384257|1.291509|1.266926|1.325442|1.427121|1.487039|1.544619|2.968736|0.119462|0.121457|0.120557|0.500000| |3.336348|7.628222|5.652378|8.994945|17.683825|8.887860|5.676955|4.961551|6.968735|5.664679|4.196918|6.777507|4.763899|3.357186|2.664252|0.071139|2.550946|2.829345|2.624269|2.387750|2.766269|0.053305|0.053555|1.992436|2.120550|2.345824|3.977778|2.974610|1.957262|1.752402|0.046624|1.588840|1.505677|1.384644|1.337964|1.393192|1.517524|1.568310|1.658889|3.256699|0.087951|0.082305|0.088634|0.215623|0.500000| |3.914979|7.460974|5.661550|4.973873|5.673673|8.936562|17.691065|8.961074|6.980737|5.436218|4.101627|6.844265|4.551240|3.161856|2.549622|0.064905|2.383217|2.767374|2.216166|2.014805|2.475067|0.047656|0.047683|1.899769|2.060031|2.478237|4.454072|3.134882|2.176594|1.881396|0.049006|1.757360|1.709333|1.589139|1.520472|1.551280|1.662857|1.659493|1.693714|3.369082|0.112984|0.089069|0.113280|0.107907|0.124317|0.500000| |7.428208|12.464377|8.874786|5.636120|4.967752|5.630092|8.942242|17.760489|4.090080|3.527933|2.814931|4.693975|3.362665|2.460270|2.066135|0.054408|1.913182|2.112036|1.823925|1.667946|2.069603|0.040072|0.040499|1.565249|1.688715|2.021142|3.562716|2.657286|1.879834|1.677531|0.043523|1.594567|1.538925|1.453774|1.419383|1.460022|1.546820|1.564660|1.573399|3.055298|0.224000|0.145448|0.222501|0.124207|0.107733|0.218164|0.500000| |2.779565|5.508443|3.959000|4.197067|5.629431|8.879890|7.142142|4.712072|17.595034|8.882255|6.919449|12.593612|6.378582|3.894598|3.036996|0.075075|2.992649|3.752959|2.787542|2.563126|3.058208|0.058849|0.057499|2.342760|2.501583|2.810093|5.102403|3.375910|2.254669|1.929045|0.051237|1.759358|1.716150|1.571418|1.481896|1.507239|1.633901|1.626885|1.701567|3.424786|0.077349|0.067175|0.078909|0.096542|0.142514|0.215083|0.112436|0.500000| |2.679596|5.537508|3.960216|4.697794|7.038001|8.879840|5.695352|4.211242|17.572148|8.872257|6.905066|12.303312|6.451771|3.938029|3.055054|0.077336|3.072906|3.753687|3.040374|2.816987|3.237711|0.062451|0.060807|2.388952|2.513647|2.683889|4.719193|3.240021|2.117504|1.846004|0.049493|1.665980|1.606679|1.467649|1.392659|1.428774|1.556648|1.572708|1.667037|3.331353|0.072832|0.065916|0.074634|0.111064|0.208971|0.144682|0.097399|0.305433|0.500000| |2.640847|5.455503|3.817480|4.485467|6.171059|6.915616|5.028888|3.970349|8.806637|17.528254|8.909759|10.852856|9.672809|6.848214|4.433512|0.112090|4.010468|4.658142|3.911499|3.250612|3.660288|0.067935|0.070035|2.707539|3.046920|3.658762|6.037970|4.407919|2.743403|2.340843|0.061868|2.046076|1.921945|1.719357|1.632554|1.703854|1.901413|1.952397|2.110819|4.330688|0.074643|0.065428|0.070361|0.108622|0.181075|0.127584|0.093146|0.173676|0.210692|0.500000| |2.733560|5.421038|3.811109|4.037632|5.147988|6.908732|5.937113|4.376313|8.821963|17.520317|8.956877|11.082537|9.429004|6.607829|4.372841|0.105350|3.835887|4.659712|3.411367|2.877283|3.407532|0.063394|0.065113|2.641847|3.025584|3.994775|6.907440|4.762268|3.059299|2.514461|0.065315|2.224613|2.116565|1.891963|1.780405|1.840025|2.045337|2.056313|2.179214|4.535107|0.079429|0.066594|0.073858|0.094798|0.132494|0.168354|0.105930|0.211788|0.173692|0.304865|0.500000| |2.085935|4.138384|2.687416|2.981599|3.532952|3.714404|3.190246|2.760535|4.291994|6.402831|6.558723|8.425115|12.323809|17.567198|8.725168|0.226938|6.307492|6.015639|6.028303|4.197041|4.657734|0.082088|0.091297|3.444465|4.252174|5.684455|8.194538|6.644248|3.667918|3.076618|0.081978|2.528314|2.308786|1.999442|1.881458|1.991693|2.298500|2.391063|2.715792|5.821184|0.059890|0.053185|0.055272|0.077041|0.103368|0.085813|0.068995|0.103876|0.112059|0.217580|0.170483|0.500000| |2.152126|4.168108|2.718332|2.873373|3.347838|3.767415|3.436977|2.924392|4.349337|6.612541|6.700682|8.556531|12.263366|17.589959|8.703221|0.189690|5.736434|6.051723|4.581767|3.465737|4.153402|0.074091|0.080944|3.299876|4.198747|7.584856|11.137165|8.415245|4.669691|3.569496|0.091747|2.930735|2.698931|2.305848|2.137454|2.243250|2.601260|2.628800|2.912695|6.486697|0.063002|0.054299|0.057408|0.072393|0.092318|0.096771|0.074615|0.111526|0.106033|0.183996|0.217167|0.302994|0.500000| |1.692878|3.221745|2.064753|2.176410|2.535661|2.869659|2.625276|2.229130|3.579790|4.515369|6.624331|11.334803|12.352347|6.426687|6.722271|0.136714|8.780298|17.600529|5.506678|4.777057|6.111281|0.107928|0.107931|5.769113|7.096937|6.236676|13.295996|5.907615|3.595408|2.886358|0.080562|2.461714|2.438456|2.108318|1.890912|1.900033|2.131001|2.057786|2.258835|4.800912|0.048406|0.043219|0.046551|0.055678|0.071719|0.076606|0.058002|0.101309|0.095275|0.112487|0.122930|0.135607|0.155643|0.500000| |1.681504|3.249393|2.088793|2.262902|2.685796|2.964791|2.601892|2.207912|3.800468|4.666130|7.313995|13.827278|12.511601|5.816700|5.665275|0.126828|8.603075|17.637060|7.078348|6.805848|7.454814|0.132503|0.123093|6.109029|6.238458|4.506645|8.299872|4.704330|2.863009|2.427875|0.068275|2.088562|2.040696|1.795468|1.642496|1.665742|1.856264|1.832176|2.022233|4.186041|0.047402|0.043076|0.046237|0.058443|0.078609|0.073882|0.056540|0.104049|0.107977|0.120564|0.115295|0.138139|0.130122|0.302357|0.500000| |1.704806|3.354261|2.130439|2.377442|2.785640|2.860145|2.458763|2.159653|3.394262|4.302590|5.292243|8.152492|9.615742|6.808476|6.903477|0.188548|8.734383|7.040080|17.587488|9.016673|7.629570|0.127206|0.143284|4.887255|5.514583|4.473825|6.972761|5.069319|2.912678|2.577135|0.072694|2.150197|2.013649|1.760696|1.645405|1.715838|1.948412|2.001612|2.289369|4.718047|0.047991|0.044137|0.045891|0.063136|0.084679|0.066736|0.054642|0.085602|0.097353|0.131505|0.106073|0.206195|0.136506|0.140780|0.189793|0.500000| |1.521592|2.948756|1.835782|2.004774|2.268407|2.321750|2.070511|1.860901|2.646763|3.237312|3.791508|6.047279|6.735387|5.355191|7.044810|0.227163|8.773304|5.494003|17.510498|8.914861|9.373853|0.143906|0.204290|5.682818|6.817400|4.759256|7.154269|5.590336|3.150427|2.882297|0.084187|2.347389|2.178071|1.881159|1.751297|1.834605|2.107930|2.173256|2.560852|5.279210|0.043094|0.039745|0.040895|0.053738|0.067412|0.056736|0.047906|0.068571|0.074322|0.096449|0.084724|0.152564|0.116379|0.123008|0.141040|0.303704|0.500000| |1.491469|2.890401|1.819998|1.995585|2.313098|2.419003|2.124420|1.867058|2.912386|3.359034|4.347062|7.957419|6.884792|4.169306|4.436753|0.113579|6.611799|6.551148|8.734143|17.648019|12.435211|0.225449|0.181220|6.907852|5.674735|3.491898|6.064314|3.939916|2.419003|2.165491|0.062263|1.867844|1.809175|1.605128|1.485402|1.516443|1.685426|1.688855|1.887949|3.806039|0.041682|0.038754|0.040825|0.052982|0.069423|0.058890|0.047913|0.077616|0.085908|0.093865|0.083381|0.111642|0.094752|0.142912|0.239318|0.214310|0.173225|0.500000| |1.416146|2.749609|1.708304|1.881768|2.139627|2.171787|1.917305|1.721920|2.507659|2.874086|3.425170|5.959567|5.421172|3.694975|4.070557|0.114135|5.426887|4.595186|8.768687|17.625121|12.363796|0.222259|0.225023|5.573010|4.887577|3.184603|5.293687|3.775025|2.310448|2.136034|0.062020|1.832388|1.749165|1.553433|1.452116|1.497913|1.671741|1.702521|1.931283|3.836203|0.039543|0.037117|0.038462|0.050815|0.064707|0.052441|0.044253|0.065666|0.073599|0.083685|0.072536|0.104824|0.084892|0.105122|0.141409|0.212462|0.217043|0.301598|0.500000| |1.377795|2.615326|1.634205|1.736684|1.972600|2.120137|1.940475|1.712245|2.515133|2.892678|3.720599|6.886293|6.029419|3.769699|4.423267|0.107571|6.724202|6.626175|5.750967|6.940026|12.417853|0.224024|0.181110|17.627386|8.749306|3.974249|7.566053|4.330224|2.728236|2.407439|0.070708|2.084213|2.077818|1.826375|1.649083|1.651751|1.830761|1.780148|1.977405|4.029752|0.038923|0.035789|0.037922|0.045691|0.057099|0.055301|0.044834|0.069993|0.070877|0.077329|0.076239|0.093084|0.090729|0.182056|0.204932|0.128949|0.132315|0.207657|0.142756|0.500000| |1.260885|2.378333|1.467125|1.548690|1.726259|1.829704|1.698489|1.526666|2.100827|2.401418|2.908879|5.189641|4.702796|3.228349|4.005851|0.103483|5.453956|4.595438|4.890725|5.574714|12.363236|0.222927|0.224524|17.626928|8.767908|3.790111|7.032300|4.339894|2.776197|2.540494|0.077189|2.191755|2.190601|1.915460|1.721324|1.721948|1.913482|1.853735|2.083081|4.203404|0.035736|0.032979|0.034566|0.041098|0.049748|0.048218|0.040286|0.058078|0.058660|0.065480|0.064696|0.081396|0.079589|0.128232|0.127923|0.107713|0.127708|0.142738|0.126488|0.301205|0.500000| |1.391350|2.637319|1.631515|1.726516|1.924871|2.032926|1.881965|1.693153|2.312590|2.776886|3.307155|5.471517|5.822263|4.485596|6.811613|0.183348|8.789832|5.446686|6.834496|5.698098|9.429448|0.144530|0.206948|8.902505|17.491522|6.193796|10.046130|6.862300|3.937917|3.545780|0.110230|2.832567|2.712483|2.276369|2.043141|2.092723|2.416679|2.376179|2.794745|5.914574|0.039777|0.036313|0.037717|0.045753|0.055368|0.053050|0.044485|0.062530|0.063250|0.077638|0.076298|0.110892|0.107377|0.143939|0.131176|0.139466|0.200401|0.131723|0.128686|0.173075|0.215233|0.500000| |1.443194|2.719363|1.696229|1.776290|1.995813|2.164940|2.023223|1.793447|2.513521|3.025680|3.752913|6.340117|6.624488|4.705299|6.619699|0.150142|8.797023|6.893698|5.520638|4.860569|7.618781|0.126948|0.143898|8.992079|17.647335|7.085592|14.546515|6.910985|4.159963|3.472525|0.104112|2.858800|2.846735|2.389288|2.100052|2.104311|2.396569|2.285158|2.586069|5.534625|0.041379|0.037402|0.039417|0.046455|0.056667|0.058128|0.047332|0.069680|0.067838|0.081080|0.084292|0.108332|0.116496|0.216667|0.156736|0.123099|0.139565|0.127069|0.107518|0.212830|0.212619|0.303736|0.500000| |1.686640|3.184264|1.963916|2.039607|2.222868|2.344830|2.231347|2.044082|2.523318|3.158217|3.297227|4.999171|5.628060|5.705056|7.508148|0.240180|4.820529|3.931204|4.027180|3.096234|4.065228|0.071671|0.085263|3.236290|4.346101|9.384428|10.837813|26.052909|9.132895|7.342916|0.183658|4.720331|3.868718|3.054033|2.815504|3.093506|3.952894|4.127989|5.295589|14.822577|0.049468|0.043831|0.044776|0.053662|0.062051|0.062479|0.053998|0.066726|0.065446|0.091232|0.094618|0.144303|0.165778|0.106295|0.090245|0.106395|0.119456|0.078720|0.077940|0.082013|0.082585|0.130668|0.120891|0.500000| |1.723406|3.167139|1.941221|1.942109|2.079135|2.254377|2.251143|2.079479|2.378880|2.864183|2.907109|4.537192|4.575388|4.101754|4.470786|0.118847|3.419649|3.197007|2.825632|2.359036|3.167241|0.057875|0.064767|2.602167|3.266684|6.346220|10.241150|12.393129|17.570319|8.900494|0.174488|7.002772|5.819921|4.343948|3.844942|4.125090|5.317792|4.756051|4.957486|12.897397|0.051440|0.044581|0.046067|0.050416|0.056249|0.064949|0.056458|0.065077|0.060218|0.078541|0.090213|0.100572|0.133687|0.093480|0.075193|0.075971|0.079088|0.062748|0.059595|0.068929|0.068415|0.092302|0.098781|0.207357|0.500000| |1.543682|2.840502|1.743387|1.758783|1.902514|2.069510|2.042611|1.866881|2.242036|2.675231|2.867102|4.596383|4.610343|3.908074|4.677427|0.119972|3.799626|3.477510|3.004700|2.549096|3.556255|0.064641|0.072705|3.054931|3.937653|7.418822|13.776252|12.590334|17.682102|8.790330|0.214608|6.728530|6.694555|4.619625|3.739214|3.743300|4.614214|3.916393|4.238815|10.318954|0.045496|0.040036|0.041705|0.045790|0.052051|0.059326|0.050578|0.062186|0.057679|0.072271|0.081720|0.093105|0.118651|0.105795|0.081259|0.077708|0.083665|0.067588|0.063320|0.079987|0.081784|0.111784|0.126884|0.181002|0.301872|0.500000| |1.346515|2.443345|1.472364|1.470466|1.560339|1.675571|1.676756|1.566431|1.778267|2.030694|2.138120|3.539814|3.278097|2.652422|3.027936|0.081373|2.677829|2.492706|2.265872|2.019098|2.877651|0.053779|0.059546|2.418264|2.875303|3.953669|7.361844|6.240046|6.617190|7.004491|0.188321|8.881836|17.702305|8.974571|5.663963|4.973323|5.634536|4.090466|4.014243|8.281969|0.039643|0.035292|0.036508|0.038657|0.042614|0.048632|0.043028|0.049670|0.046300|0.055081|0.060996|0.066485|0.078450|0.074884|0.061323|0.058909|0.063902|0.053759|0.051372|0.063612|0.067447|0.083210|0.090102|0.109914|0.160826|0.228769|0.500000| |1.241693|2.221315|1.319967|1.301972|1.359663|1.451577|1.475172|1.402510|1.511733|1.676431|1.728323|2.903658|2.558056|2.025227|2.202151|0.059745|2.001096|1.915584|1.758348|1.605432|2.271148|0.043306|0.046867|1.860614|2.108440|2.660823|4.922856|4.031712|3.786545|4.091486|0.108200|5.628284|8.934833|17.723253|8.895833|5.653022|4.934162|3.545130|3.151721|5.829617|0.036632|0.032775|0.033771|0.034376|0.036899|0.042821|0.039044|0.042453|0.039460|0.045455|0.050186|0.052039|0.059908|0.056933|0.048421|0.046518|0.049422|0.043216|0.041536|0.049776|0.052183|0.060260|0.064280|0.075545|0.104089|0.115181|0.216839|0.500000| |1.223806|2.176527|1.276478|1.253056|1.289501|1.358445|1.387311|1.342578|1.387479|1.525761|1.537801|2.569160|2.251915|1.803949|1.920973|0.053273|1.728468|1.649731|1.561111|1.422713|1.982469|0.037925|0.041151|1.580852|1.776347|2.233499|3.974239|3.446284|3.113834|3.541327|0.090860|4.938038|5.653966|8.899217|17.722598|8.932494|5.627506|4.089313|3.275199|5.574225|0.036246|0.032567|0.033061|0.033326|0.034923|0.039850|0.037544|0.038600|0.036257|0.041914|0.045626|0.047460|0.053473|0.047957|0.042029|0.041880|0.044290|0.038188|0.037324|0.042241|0.043971|0.051102|0.052624|0.067581|0.089050|0.086936|0.124449|0.214121|0.500000| 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|1.540432|2.799323|1.646823|1.640034|1.682800|1.738422|1.745997|1.698206|1.748998|1.993061|1.947010|3.119722|2.919843|2.522796|2.663380|0.077998|2.215284|2.040834|2.036898|1.766092|2.372064|0.044372|0.049796|1.838166|2.149544|3.019633|4.852015|5.181660|4.480999|5.610675|0.124745|6.168508|4.398608|3.966458|4.477185|6.373830|8.870473|17.530560|8.926672|12.605231|0.046002|0.040926|0.040566|0.043870|0.045778|0.048872|0.046581|0.047077|0.045366|0.056833|0.060218|0.068652|0.076182|0.057049|0.050913|0.055735|0.059314|0.046486|0.046640|0.048303|0.049479|0.063061|0.061297|0.113462|0.135635|0.103677|0.102182|0.090284|0.104759|0.174080|0.500000| 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