Version2.0 2020-01-09T15:50:20Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(=O)N[C@H]1c2cc(c[nH+]c2N([C@@H]1C(=O)OC)CCc3c[nH]c4c3cccc4)NC[C@@H]5CCC=CC5 C39344836 RHF 6-31G(d) (6D,7F) CC(=O)N[C@H]1c2cc(c[nH+]c2N([C@@H]1C(=O)OC)CCc3c[nH]c4c3cccc4)NC[C@@H]5CCC=CC5 C01[X(C28H34N5O3)] 204 C1 608 COC(=O)[C@H]1N(CCc2c[nH]c3c2cccc3)c2c([C@@H]1NC(=O)C)cc(c[nH+]2)NC[C@@H]1CCC=CC1 COC(=O)[C@H]1N(CCc2c[nH]c3c2cccc3)c2c([C@@H]1NC(=O)C)cc(c[nH+]2)NC[C@@H]1CCC=CC1 COC(=O)[C@@H]1[C@@H](NC(C)=O)c2cc(NC[C@@H]3CCC=CC3)c[nH+]c2N1CCc4c[nH]c5ccccc45 InChIKey=WEDYZRBDXKKAHM-CNVLFFCLSA-O InChI=1S/C28H33N5O3/c1-18(34)32-25-23-14-21(29-15-19-8-4-3-5-9-19)17-31-27(23)33(26(25)28(35)36-2)13-12-20-16-30-24-11-7-6-10-22(20)24/h3-4,6-7,10-11,14,16-17,19,25-26,29-30H,5,8-9,12-13,15H2,1-2H3,(H,32,34)/p+1/t19-,25-,26-/m0/s1 InChI=1/C28H33N5O3/c1-18(34)32-25-23-14-21(29-15-19-8-4-3-5-9-19)17-31-27(23)33(26(25)28(35)36-2)13-12-20-16-30-24-11-7-6-10-22(20)24/h3-4,6-7,10-11,14,16-17,19,25-26,29-30H,5,8-9,12-13,15H2,1-2H3,(H,32,34)/p+1/t19-,25-,26-/m0/s1/fC28H34N5O3/h31-32H/q+1 CC(=O)N[C@H]1c2cc(c[nH+]c2N([C@@H]1C(=O)OC)CCc3c[nH]c4c3cccc4)NC[C@@H]5CCC=CC5 C01[X(C28H34N5O3)] 204 C01 608 COC(=O)[C@H]1N(CCc2c[nH]c3c2cccc3)c2c([C@@H]1NC(=O)C)cc(c[nH+]2)NC[C@@H]1CCC=CC1 COC(=O)[C@@H]1[C@@H](NC(=O)C)[C]2[C]([N]1CC[C]1=CN[C]3[C]1[CH][CH][CH][CH]3)[NH]C=[C]([CH]=2)NC[C@@H]1CCC=CC1 COC(=O)[C@@H]1[C@@H](NC(C)=O)C2=CC(=CN[C]2N1CCC3=CN[C]4[CH][CH][CH][CH][C]34)NC[C@@H]5CCC=CC5 InChIKey=XSLWJIVBYXNJHP-CNVLFFCLSA-N InChI=1S/C28H34N5O3/c1-18(34)32-25-23-14-21(29-15-19-8-4-3-5-9-19)17-31-27(23)33(26(25)28(35)36-2)13-12-20-16-30-24-11-7-6-10-22(20)24/h3-4,6-7,10-11,14,16-17,19,25-26,29-31H,5,8-9,12-13,15H2,1-2H3,(H,32,34)/t19-,25-,26-/m0/s1 InChI=1/C28H34N5O3/c1-18(34)32-25-23-14-21(29-15-19-8-4-3-5-9-19)17-31-27(23)33(26(25)28(35)36-2)13-12-20-16-30-24-11-7-6-10-22(20)24/h3-4,6-7,10-11,14,16-17,19,25-26,29-31H,5,8-9,12-13,15H2,1-2H3,(H,32,34)/t19-,25-,26-/m0/s1/f/h32H 3708.0627802126 -1576.7868198 1-A 27268.1063 130 478 608 |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| -20.72463 -20.67203 -20.63194 -15.79220 -15.74315 -15.70238 -15.68333 -15.68163 -11.49853 -11.49165 -11.45627 -11.42357 -11.42086 -11.41664 -11.40976 -11.39971 -11.39042 -11.38556 -11.38267 -11.35393 -11.35117 -11.34452 -11.33995 -11.32487 -11.31254 -11.30805 -11.30790 -11.30309 -11.30297 -11.29954 -11.29535 -11.29511 -11.29366 -11.28746 -11.28439 -11.28257 -1.59404 -1.50461 -1.49921 -1.48786 -1.41626 -1.38275 -1.36495 -1.35213 -1.25414 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48.3549 10.4536 10.5527 5.3325 5.2942 28.9635 4.2607 97.5011 1.5561 53.1611 42.8464 93.5858 9.3004 99.4194 5.9389 44.5417 6.4802 3.8053 7.2818 349.9872 80.3789 137.9481 132.3102 1.2625 26.8412 34.3173 8.1318 16.0473 58.5860 9.5517 21.1851 0.5531 37.7166 210.7433 96.2998 12.5929 25.0072 46.9641 1.4713 52.5959 80.6654 23.2787 28.8124 0.7276 9.3065 33.6942 2.4332 9.6399 5.4059 7.7432 86.4869 0.7976 10.0474 6.5489 19.0694 277.8560 415.2235 198.8057 23.8046 3.3003 81.2753 350.4981 136.0992 1.5411 253.5671 263.5476 26.4768 10.3071 38.1457 38.8009 33.7824 32.4659 4.1957 8.4735 79.9958 4.0348 13.9979 103.0661 21.0292 26.9691 11.4682 19.0768 3.0643 7.5873 4.7234 8.7517 21.9157 17.2637 44.3253 1.0747 29.1683 12.4374 21.2281 4.0628 2.0901 6.1405 36.7550 115.0821 45.5794 134.8106 4.8977 2.1947 0.9485 2.7946 1.6319 1.1311 0.6098 1.5221 0.3415 0.7765 0.9904 1.4020 1.9910 1.7667 3.8887 2.8758 0.4859 0.7701 2.1780 0.6001 1.0873 0.7035 0.8977 0.9595 1.9224 1.1316 1.1017 1.0666 1.0342 0.4926 2.1515 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14355.8846 38178.9054 45785.6281 0.99992 -0.01231 -0.00101 0.01232 0.99991 0.00552 0.00094 -0.00553 0.99998 1 0.00603 0.00227 0.00189 0.12571 0.04727 0.03942 17.02 24.70 27.85 35.35 44.11 53.62 60.41 60.55 70.31 86.28 91.57 92.77 116.74 149.91 161.59 174.10 209.36 217.36 237.02 248.44 260.36 278.00 288.90 309.57 336.07 350.55 352.90 375.50 398.16 411.23 436.69 455.92 481.45 526.08 557.02 563.57 608.98 616.55 634.21 655.82 665.52 670.81 684.01 718.77 728.78 747.07 767.38 791.84 835.58 857.56 894.23 914.29 919.02 937.47 952.92 974.06 999.67 1029.39 1057.55 1066.78 1106.35 1152.73 1154.22 1170.78 1176.03 1197.49 1213.43 1216.85 1233.31 1253.14 1263.60 1282.14 1311.18 1312.70 1352.36 1371.81 1382.43 1388.76 1408.67 1432.95 1447.55 1468.60 1499.09 1513.27 1529.54 1533.08 1542.93 1577.26 1590.86 1595.93 1599.36 1614.28 1615.74 1621.47 1628.37 1648.00 1667.75 1687.13 1691.91 1711.65 1721.58 1730.99 1740.97 1746.47 1764.45 1787.31 1795.82 1800.96 1836.50 1842.98 1863.14 1867.24 1903.36 1917.40 1920.70 1933.90 1941.85 1956.60 1977.40 1979.27 1988.42 1992.47 2003.31 2024.11 2041.90 2045.83 2053.40 2082.17 2097.23 2111.29 2118.20 2121.86 2163.07 2167.55 2175.47 2183.94 2202.16 2209.99 2225.17 2237.65 2243.59 2249.18 2258.15 2279.62 2280.99 2313.39 2338.77 2341.99 2343.90 2350.71 2351.19 2357.15 2359.75 2363.76 2367.81 2371.70 2380.75 2394.39 2403.81 2423.85 2436.05 2500.43 2512.73 2563.92 2624.63 2626.92 2711.22 2720.39 2811.64 2904.14 4544.48 4556.08 4572.93 4585.79 4597.29 4610.29 4640.83 4642.54 4646.85 4650.47 4662.93 4663.36 4669.05 4699.29 4735.09 4740.13 4778.60 4782.07 4798.88 4803.51 4811.82 4828.00 4838.80 4843.81 4859.20 4862.90 4880.56 4904.23 4941.74 4987.90 5509.69 5534.11 5591.94 5631.71 0.637038 0.669477 0.670421 0.566893 -1576.149782 -1576.117343 -1576.116399 -1576.219926 3.472313D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2020 DUDE CC(=O)N[C@H]1c2cc(c[nH+]c2N([C@@H]1C(=O)OC)CCc3c[nH]c4c3cccc4)NC[C@@H]5CCC=CC5 C39344836 RHF 6-31G(d) (6D,10F) C1 488.266165 |X|Y|Z| 138.038059 78.375670 45.506182 78.961763 28 6 7 24 4 |36.858105| |12.632168|36.858105| |7.983213|15.862963|73.516695| |7.810304|13.981703|15.199052|53.358707| |5.031603|7.844409|12.541587|17.950264|36.858105| |4.728426|7.320560|13.484236|12.643526|17.663997|0.500000| |4.194043|5.988397|10.630091|10.455508|12.552637|0.245052|36.858105| |3.923593|5.396001|10.698415|7.816968|7.264449|0.179727|14.175568|36.858105| |3.147108|3.929357|7.502071|5.645188|4.887649|0.122815|7.880876|13.190943|36.858105| |2.825868|3.417571|6.196221|5.164334|4.494840|0.109452|6.934098|7.960067|14.081863|36.858105| |2.941607|3.582495|6.220627|5.812580|5.277366|0.121403|8.080570|6.969667|7.992819|13.709611|53.358707| |2.624025|3.090332|5.310099|4.981788|4.356956|0.102658|5.823486|5.105999|5.835038|9.281066|25.975787|0.500000| |3.465326|4.442480|7.501280|7.872666|8.061856|0.166350|13.454316|7.971120|6.859284|8.057375|19.750248|0.263200|36.858105| |3.421906|4.253046|6.849609|8.043889|7.977701|0.162701|8.323374|5.387250|4.639304|5.238350|10.892305|0.199977|14.261030|53.358707| |3.895296|5.077937|8.035167|10.461039|12.252238|0.241610|8.026330|5.146898|4.065843|4.150575|7.307168|0.132136|8.376534|17.727850|36.858105| |4.032996|4.945900|7.445014|10.224328|8.692791|0.189519|5.842341|4.160386|3.400629|3.470276|5.906628|0.111361|6.060352|12.290443|17.658328|0.500000| |3.151409|3.968133|6.765639|7.006859|7.551997|0.208001|5.915801|4.343013|3.584522|3.651340|6.119403|0.114787|6.073369|10.536601|12.478963|0.247858|36.858105| |2.714887|3.348323|5.882205|5.603446|5.772419|0.159752|5.409680|4.205494|3.664218|3.848995|6.463370|0.124158|5.953936|9.448248|7.958250|0.167814|16.050515|73.516695| |3.148460|3.869485|6.602835|6.533851|6.227461|0.192210|4.610163|3.634574|3.005743|2.976668|4.730886|0.089734|4.421086|7.219966|8.153319|0.213193|14.560108|15.235956|73.516695| |2.613406|3.103629|5.483250|4.884553|4.402110|0.138487|3.624822|3.057888|2.624605|2.598819|4.000134|0.077257|3.509447|5.407799|5.169825|0.136257|8.123057|12.602703|23.678623|36.858105| |2.786471|3.248418|5.293529|5.685334|4.995769|0.114683|5.165007|3.933279|3.702645|4.378125|8.749216|0.196374|7.714800|17.681459|7.375797|0.183379|6.055415|10.781918|7.960548|3.605314|36.858105| |2.718723|3.042685|4.845831|5.287817|4.276998|0.101180|4.002692|3.163178|2.930919|3.289433|5.878603|0.127420|5.080104|10.373503|6.262333|0.190543|5.277415|8.687970|7.759593|3.526689|12.433884|36.858105| |2.267555|2.468340|4.003786|4.071199|3.215568|0.078976|3.130081|2.615728|2.517045|2.854896|4.894338|0.110602|3.870206|6.813075|4.222015|0.124138|3.882968|6.801907|5.997068|2.926804|7.630193|12.693448|36.858105| |2.001006|2.167496|3.571681|3.491088|2.773162|0.070333|2.686022|2.295049|2.219145|2.485033|4.116522|0.092228|3.205852|5.386125|3.550081|0.103353|3.514403|6.324545|5.611483|2.868021|5.480344|7.458297|14.089888|36.858105| |1.794961|1.916335|3.176504|3.019426|2.358368|0.060214|2.328965|2.041983|2.011593|2.257463|3.644652|0.082391|2.744437|4.387189|2.879604|0.082926|2.828096|5.131388|4.579496|2.386259|4.236252|5.165591|8.538110|13.945180|53.358707| |1.651191|1.755411|2.930577|2.731234|2.129879|0.055091|2.101144|1.864804|1.841543|2.048860|3.246164|0.072743|2.432144|3.811543|2.556156|0.073327|2.559563|4.673357|4.213351|2.242451|3.535664|4.148081|5.987640|9.065251|26.106525|0.500000| |1.841286|1.950558|3.213834|3.068151|2.360033|0.059433|2.369116|2.088649|2.080551|2.359699|3.813837|0.087348|2.820365|4.444463|2.830315|0.081342|2.672591|4.802838|4.285506|2.195970|4.284136|5.088931|8.338995|8.545274|18.915608|0.250761|36.858105| |2.120689|2.263179|3.678447|3.641495|2.796700|0.068752|2.808998|2.421312|2.391397|2.740072|4.582550|0.105650|3.442993|5.622419|3.433076|0.099390|3.100748|5.475336|4.860452|2.411908|5.736407|7.229699|13.162930|8.504002|11.602934|0.165629|13.616538|36.858105| |2.197918|2.314974|3.738817|3.688869|2.760141|0.067087|2.831515|2.476920|2.478916|2.855794|4.714902|0.108668|3.457244|5.404605|3.246371|0.093351|2.828617|4.944356|4.441371|2.189087|5.085093|5.726074|7.261401|5.252944|7.298430|0.118701|7.894975|13.600828|36.858105| |1.947686|2.021823|3.301728|3.133325|2.324277|0.057510|2.403555|2.166174|2.203284|2.517518|3.981714|0.091143|2.846803|4.253624|2.639088|0.075265|2.356028|4.157766|3.765467|1.895217|3.778019|4.070126|5.006267|4.174651|6.325907|0.109380|6.932290|7.965120|13.866590|36.858105| |1.724281|1.789678|2.953825|2.745733|2.055903|0.051745|2.111056|1.918573|1.953238|2.213124|3.446659|0.078613|2.464548|3.671669|2.335676|0.066498|2.153316|3.844204|3.482263|1.787148|3.261632|3.542024|4.545583|4.188525|7.024605|0.126263|8.048288|6.864678|7.883131|13.561000|36.858105| |1.682431|1.760706|2.916285|2.717179|2.063143|0.052312|2.094177|1.886785|1.904362|2.151363|3.380485|0.077103|2.448819|3.718020|2.390934|0.068247|2.255212|4.057680|3.657039|1.894197|3.390877|3.792449|5.256859|5.296601|10.336903|0.184877|13.662198|7.789556|6.748898|7.865594|13.864915|36.858105| |2.852731|3.418744|6.714301|4.631653|3.783844|0.099764|5.225437|7.882148|13.848819|7.894633|7.061295|0.118650|4.589199|4.734311|3.184072|0.076823|2.903585|5.274423|4.508156|2.279103|2.926274|2.421031|2.136479|1.917548|2.403941|0.045403|1.826383|2.059016|2.142739|1.950030|1.749015|1.698817|53.358707| |2.366779|2.725766|5.215946|3.730126|3.004368|0.079559|3.904315|5.057346|7.727759|6.561969|6.041211|0.109121|3.739319|4.035731|2.673417|0.065707|2.493699|4.615297|3.901824|2.013147|2.628002|2.194113|1.991314|1.806638|2.300791|0.043716|1.755496|1.951071|2.037987|1.889402|1.710037|1.654518|17.852976|36.858105| |2.171643|2.439859|4.721116|3.244532|2.544899|0.068862|3.119968|3.917141|5.060101|4.323835|4.478121|0.083013|2.928151|3.306656|2.260323|0.056630|2.134842|3.912624|3.428078|1.794615|2.180119|1.876448|1.720360|1.579257|2.026316|0.038815|1.540809|1.691263|1.763740|1.656358|1.514117|1.465185|10.529308|12.464247|36.858105| |2.157295|2.443896|4.822503|3.220585|2.549403|0.070396|3.084088|3.895246|4.778053|3.963875|4.216691|0.077732|2.830637|3.219801|2.245317|0.056092|2.154659|3.956412|3.486827|1.841994|2.110029|1.823729|1.665205|1.538649|1.965432|0.037761|1.481404|1.620520|1.672075|1.564235|1.438094|1.402519|9.682159|8.930463|17.467577|0.500000| |1.860035|2.052733|3.901096|2.762902|2.160376|0.058458|2.581432|3.066804|3.829125|3.580352|3.872028|0.074424|2.510000|2.909380|1.977761|0.050067|1.891665|3.498232|3.052525|1.617510|1.974686|1.715494|1.602464|1.485246|1.927912|0.037148|1.467734|1.590918|1.658397|1.579345|1.458435|1.409989|6.807737|7.568711|12.425945|0.248089|36.858105| |1.709441|1.859167|3.546419|2.469129|1.906209|0.052191|2.210891|2.583743|3.042850|2.818991|3.183918|0.061490|2.125659|2.518698|1.744604|0.044640|1.680966|3.087324|2.756109|1.473858|1.716281|1.518138|1.424159|1.330260|1.732459|0.033569|1.313644|1.413054|1.467906|1.406134|1.307917|1.267177|5.203807|4.914820|7.539335|0.195801|12.450007|36.858105| |1.781853|1.913501|3.659549|2.498151|1.892832|0.051826|2.171710|2.547486|2.923171|2.649568|3.025923|0.057991|2.055601|2.446928|1.710876|0.044089|1.630615|2.953731|2.694620|1.432943|1.653881|1.477088|1.379490|1.283603|1.669871|0.032317|1.269382|1.370246|1.431172|1.371278|1.269923|1.225468|5.015790|4.392554|6.673372|0.173635|7.575423|12.640905|36.858105| |2.006954|2.154190|4.136506|2.779382|2.083769|0.056737|2.408782|2.878325|3.302388|2.911164|3.289809|0.062211|2.246337|2.649228|1.853493|0.047727|1.741207|3.124643|2.872012|1.510888|1.767045|1.575221|1.458182|1.345795|1.742887|0.033578|1.329394|1.447288|1.520416|1.449073|1.330394|1.279132|5.839128|4.914858|7.550295|0.185799|6.712793|7.645410|14.431211|36.858105| |2.288820|2.511801|4.843389|3.258468|2.466133|0.066379|2.954259|3.675307|4.444925|3.763662|4.061029|0.075265|2.729915|3.129830|2.162178|0.054983|2.004631|3.598830|3.258772|1.692965|2.054155|1.799670|1.647578|1.505313|1.935945|0.037055|1.480733|1.630046|1.718168|1.620607|1.473226|1.414618|8.667301|7.483180|12.409962|0.246858|7.583241|6.369488|7.629327|12.626245|36.858105| |17.635350|8.982740|13.181817|7.892508|4.216653|0.112634|3.779037|3.751744|3.082904|2.720679|3.736935|0.068108|3.129627|4.087881|3.305421|0.092750|2.762276|4.341287|4.874647|2.339468|2.489292|2.400446|2.044571|1.819340|2.247276|0.042411|1.699029|1.937643|2.021236|1.817390|1.615776|1.569033|3.934284|2.401955|2.245528|0.062018|1.912113|1.771999|1.873177|2.131930|2.418226|0.500000| |17.557720|8.982851|11.767133|8.834862|4.506967|0.123342|3.642104|3.374259|2.748652|2.500276|3.566355|0.065831|3.077080|4.248537|3.651767|0.107721|3.059709|4.650825|5.643178|2.662200|2.597281|2.592103|2.175936|1.945395|2.372126|0.044771|1.770417|2.019011|2.064757|1.835870|1.642910|1.615916|3.418935|2.119871|1.963664|0.054620|1.702453|1.578620|1.640045|1.826689|2.051490|0.301485|0.500000| |17.581473|8.777466|10.471476|9.967781|4.723307|0.117210|4.033404|3.688846|3.052770|2.822687|4.069531|0.074989|3.501862|4.803204|3.889220|0.115000|3.067243|4.712578|5.364523|2.493208|2.915881|2.894279|2.413970|2.101984|2.573150|0.048039|1.960958|2.281779|2.400146|2.119000|1.853969|1.793802|3.729418|2.308483|2.101829|0.057251|1.818293|1.663328|1.729399|1.944066|2.217836|0.299004|0.300878|0.500000| |7.380046|9.295041|10.885451|26.077457|8.975314|0.183343|6.223301|4.751508|3.705871|3.546124|5.574351|0.100593|5.422185|8.147659|7.327201|0.228129|4.774657|6.833639|7.934264|3.356896|4.402062|4.301198|3.261128|2.739949|3.217031|0.058918|2.425449|2.925997|2.994110|2.510285|2.172380|2.138779|4.177424|2.543342|2.217389|0.060488|1.916972|1.715450|1.735559|1.924008|2.238191|0.149896|0.173775|0.226573|0.500000| |4.231033|5.954605|13.453274|7.643819|6.524517|0.179300|9.069576|17.733342|8.719443|5.662208|6.810354|0.110127|5.652462|5.908399|4.463922|0.104432|3.897267|6.585107|6.120889|2.947752|3.301388|2.781281|2.329298|2.072957|2.525631|0.047450|1.888843|2.162089|2.207808|1.954762|1.746201|1.718722|9.838797|4.668466|3.896516|0.111246|3.001538|2.596453|2.612924|2.986994|3.774689|0.115760|0.100830|0.105672|0.125238|0.500000| |2.471127|2.887928|5.222766|4.284749|3.600689|0.089829|4.998949|5.600014|8.869694|17.835884|12.488990|0.230089|5.810015|5.821328|3.440912|0.082469|3.119677|5.924411|4.619123|2.321264|3.872557|2.985366|2.692080|2.372954|2.993248|0.055764|2.316608|2.646948|2.781760|2.509194|2.222377|2.145921|9.433783|7.135769|4.555576|0.111867|3.954389|3.013387|2.764557|2.987480|3.840669|0.066786|0.061394|0.069035|0.083385|0.122919|0.500000| |2.540960|3.058073|5.585824|4.688459|4.318897|0.141024|3.704657|3.211359|2.756821|2.690824|4.051946|0.077429|3.501514|5.128351|4.722636|0.118456|7.199395|12.537815|16.398630|17.653345|3.362412|3.154067|2.658513|2.596333|2.995940|0.057680|2.046059|2.237882|2.056682|1.796880|1.694977|1.785007|3.279971|2.122731|1.895212|0.054586|1.702182|1.551312|1.501470|1.578634|1.770313|0.064117|0.071261|0.066540|0.087440|0.086789|0.066682|0.500000| |2.349097|2.733771|4.784583|4.313151|3.821026|0.114013|3.291331|2.792588|2.468135|2.502272|3.891152|0.076911|3.336971|5.230555|4.688908|0.125270|7.189770|12.559644|16.405486|17.654282|3.702736|3.683577|3.132419|3.165539|3.542127|0.068333|2.341932|2.539051|2.256712|1.952794|1.861395|2.001173|2.921734|1.927604|1.715061|0.048635|1.563282|1.422589|1.375439|1.442188|1.610885|0.058797|0.066035|0.063279|0.084410|0.073663|0.062929|0.299566|0.500000| |2.590723|3.005674|5.290768|4.609315|3.922393|0.124084|3.193341|2.749966|2.363669|2.317034|3.510361|0.067906|3.042814|4.642901|4.393338|0.122037|5.954319|9.096674|16.873712|17.692790|3.114928|3.146196|2.656677|2.617079|3.005970|0.058074|2.038469|2.221883|2.031307|1.774516|1.678758|1.774557|2.841446|1.850092|1.671606|0.047719|1.510194|1.388745|1.359408|1.433876|1.593478|0.064395|0.074942|0.068286|0.088664|0.075127|0.057905|0.298310|0.298301|0.500000| |2.497445|2.916277|4.889754|4.932899|4.453052|0.107914|4.669125|3.692189|3.545125|4.205356|8.077902|0.185825|6.613531|12.353502|6.320385|0.152363|6.249114|12.711847|8.059094|3.822880|17.588448|8.820185|6.828975|5.616955|5.866078|0.101817|4.136648|5.104743|4.342683|3.400301|3.067593|3.279173|3.863332|2.588067|2.150487|0.058264|1.965981|1.709295|1.629876|1.724161|1.993270|0.062743|0.065415|0.071270|0.102519|0.086811|0.105487|0.100188|0.112767|0.089522|0.500000| |2.659239|3.038694|4.967332|5.152241|4.315761|0.099617|4.760245|3.818337|3.785086|4.698449|9.570783|0.242154|7.201961|12.559575|5.568608|0.141882|4.597782|8.330365|6.401885|3.005650|17.590579|8.935330|7.185557|5.074085|5.759602|0.097454|4.587618|6.397414|6.165413|4.446642|3.685426|3.706375|4.086257|2.747767|2.257157|0.059780|2.059141|1.774228|1.706346|1.824612|2.130050|0.066976|0.068046|0.078227|0.111620|0.088395|0.118929|0.079414|0.085281|0.073686|0.301022|0.500000| |3.016507|3.307227|5.112839|5.838030|4.414226|0.102060|4.029718|3.185828|2.913901|3.212087|5.625739|0.118483|4.927743|9.713374|6.138940|0.203174|4.721178|7.439770|7.240875|3.244244|8.859533|17.528275|8.924259|5.737053|6.018588|0.100910|4.616907|6.638153|5.977578|4.197828|3.514769|3.609759|3.291758|2.174251|1.869860|0.050289|1.700106|1.509196|1.482495|1.592551|1.820476|0.073000|0.079408|0.091626|0.139511|0.078496|0.080527|0.080902|0.091296|0.082506|0.173728|0.210780|0.500000| |2.705946|3.045252|4.875549|5.288460|4.346719|0.106229|3.845665|3.036983|2.754822|3.005431|5.203392|0.109266|4.598140|9.190818|6.662401|0.214904|6.167346|9.714854|9.391212|4.193761|8.819853|17.550111|8.966471|7.061258|6.465157|0.110496|4.346647|5.476089|4.399416|3.365830|3.048813|3.321249|3.128520|2.072938|1.791522|0.048877|1.636026|1.459159|1.420876|1.511222|1.716018|0.065940|0.073098|0.078726|0.117449|0.075509|0.075457|0.100055|0.124168|0.103224|0.214606|0.174463|0.302708|0.500000| |1.957524|2.131614|3.538282|3.420115|2.749215|0.071034|2.618582|2.238370|2.143002|2.366367|3.875309|0.085228|3.059723|5.124471|3.540422|0.103025|3.693364|6.696949|6.024524|3.157526|4.955556|6.440523|8.684861|17.780787|12.232845|0.213168|5.885377|5.782083|4.084213|3.381284|3.409380|4.178919|2.530586|1.746237|1.534479|0.041844|1.441884|1.297281|1.250564|1.307780|1.457956|0.049395|0.053362|0.056493|0.073640|0.056599|0.062454|0.078266|0.099813|0.079815|0.148403|0.121552|0.138710|0.196087|0.500000| |2.477191|2.611193|4.159733|4.214734|3.103662|0.073848|3.203110|2.771141|2.753950|3.175697|5.322069|0.120828|3.950813|6.178447|3.617157|0.104179|3.016299|5.181038|4.693559|2.268050|5.568493|6.031650|6.426053|4.547571|5.898907|0.098909|5.607408|8.815242|17.689551|8.952944|5.616357|4.885388|3.199376|2.205449|1.893918|0.049675|1.759869|1.550249|1.519919|1.629189|1.858299|0.062913|0.063775|0.076198|0.096696|0.068074|0.084569|0.059300|0.063987|0.058420|0.124342|0.193971|0.191033|0.125823|0.102837|0.500000| |1.946447|1.999479|3.265424|3.058969|2.237471|0.055368|2.333919|2.134852|2.188604|2.487371|3.850061|0.087073|2.724063|3.963726|2.475460|0.070313|2.191675|3.851475|3.519350|1.771516|3.368738|3.520002|4.032022|3.409805|5.012550|0.089568|4.983400|5.651844|8.963091|17.722322|8.879907|5.630669|2.662819|1.905368|1.677971|0.043741|1.603362|1.428651|1.400053|1.483762|1.657073|0.050852|0.050665|0.059148|0.068055|0.053740|0.069358|0.046953|0.050230|0.046286|0.083967|0.110086|0.103212|0.082276|0.079534|0.216051|0.500000| |1.599138|1.648023|2.734378|2.494938|1.858070|0.047120|1.913487|1.763309|1.805732|2.030504|3.096734|0.069989|2.199295|3.216491|2.073641|0.058829|1.923858|3.439148|3.137522|1.623917|2.774616|2.955402|3.619098|3.423244|5.630617|0.106481|5.690801|4.948492|5.636666|8.878395|17.724886|8.984630|2.229213|1.615173|1.443028|0.038018|1.400689|1.262512|1.227060|1.281326|1.408932|0.041941|0.042383|0.047653|0.054522|0.044895|0.057119|0.043019|0.046828|0.042598|0.073220|0.086183|0.082011|0.072274|0.080369|0.124076|0.215603|0.500000| |1.542058|1.609713|2.684274|2.459704|1.869858|0.047946|1.893251|1.721432|1.739570|1.948742|3.015235|0.068180|2.182012|3.277120|2.146684|0.061114|2.060625|3.727598|3.378530|1.776169|2.923975|3.228271|4.291314|4.613803|9.124898|0.187835|8.825372|5.568332|4.887257|5.600254|8.908962|17.717356|2.132942|1.534890|1.370316|0.036552|1.327005|1.199512|1.158311|1.203028|1.321345|0.040127|0.041362|0.045388|0.053367|0.043867|0.054233|0.046623|0.052343|0.046440|0.080242|0.086932|0.084977|0.081188|0.106680|0.106375|0.123785|0.215206|0.500000| |2.881725|3.480116|7.124768|4.571587|3.731505|0.102167|4.921219|7.479725|9.523324|5.919273|5.939604|0.101391|4.109954|4.381253|3.070240|0.074336|2.855503|5.155309|4.515680|2.305769|2.698544|2.272377|2.001664|1.813681|2.268476|0.043057|1.708271|1.912660|1.971057|1.796364|1.624041|1.587435|26.000801|9.193759|7.404745|0.221370|4.727733|3.826808|3.753242|4.375117|6.243014|0.081970|0.071044|0.075228|0.082710|0.222147|0.144811|0.068500|0.059710|0.059003|0.073245|0.075376|0.063041|0.060846|0.049284|0.059690|0.049898|0.042324|0.040883|0.500000| |2.336295|2.645504|4.931572|3.660358|2.895507|0.075098|3.740262|4.619277|6.931486|6.750191|6.238677|0.115563|3.734396|4.056184|2.624636|0.065160|2.406207|4.430235|3.754444|1.924049|2.684836|2.242258|2.052783|1.848184|2.371249|0.044905|1.831761|2.043376|2.168596|2.023983|1.817204|1.738535|12.537304|17.538892|8.873979|0.174554|6.854640|4.520105|4.129920|4.650293|6.880988|0.065722|0.057855|0.064392|0.070615|0.115500|0.224816|0.055648|0.051535|0.049216|0.072578|0.079820|0.062089|0.058049|0.049129|0.065517|0.057232|0.047781|0.044618|0.181946|0.500000| |2.191997|2.534280|4.831843|3.530394|2.911900|0.077773|3.759354|4.666561|6.897965|6.531003|6.121105|0.113085|3.714370|4.036586|2.658454|0.064901|2.543087|4.818933|3.950471|2.062730|2.674202|2.210602|2.020596|1.849304|2.355693|0.044883|1.785136|1.969847|2.032302|1.883501|1.720279|1.678377|12.327085|17.465671|8.838006|0.212776|7.066767|4.647042|3.905153|4.087473|5.469857|0.061047|0.055222|0.059419|0.067018|0.117349|0.209166|0.060859|0.055282|0.052250|0.074770|0.077392|0.059920|0.058209|0.049853|0.060401|0.052304|0.045077|0.043396|0.202955|0.301552|0.500000| |1.834072|2.003924|3.752257|2.713616|2.101480|0.056188|2.507861|2.929994|3.672157|3.561554|3.877911|0.075544|2.483233|2.891098|1.942020|0.049453|1.838572|3.389023|2.960104|1.560367|1.981649|1.725283|1.622611|1.498338|1.956851|0.037653|1.502090|1.628688|1.714692|1.645120|1.514500|1.452536|6.267300|6.837376|8.864665|0.174588|17.508733|8.857977|6.617398|6.187988|6.990136|0.052316|0.046492|0.050329|0.052844|0.078506|0.112142|0.045236|0.042069|0.040504|0.054456|0.058114|0.047670|0.045350|0.040147|0.050597|0.046728|0.040548|0.037916|0.115985|0.202983|0.172269|0.500000| |1.782690|1.981060|3.757808|2.699661|2.143225|0.058187|2.563672|3.004492|3.763858|3.625951|3.939882|0.076526|2.529030|2.937043|1.988270|0.050096|1.927958|3.613309|3.097002|1.653148|2.011954|1.737027|1.629716|1.519119|1.972729|0.038089|1.494975|1.612857|1.667805|1.586913|1.474226|1.433740|6.403772|7.053770|8.786654|0.211065|17.532703|8.835134|5.537055|4.909326|5.501347|0.050408|0.045593|0.048424|0.052041|0.080529|0.113329|0.048539|0.044611|0.042657|0.056334|0.058181|0.047365|0.046096|0.041072|0.048828|0.044468|0.039281|0.037571|0.123412|0.173298|0.218499|0.302788|0.500000| |1.573435|1.697009|3.204448|2.267684|1.745203|0.047657|2.004881|2.296094|2.679717|2.551238|2.934119|0.057462|1.955137|2.343105|1.617929|0.041635|1.562921|2.875753|2.568047|1.378352|1.616919|1.438687|1.362067|1.277530|1.674658|0.032546|1.271741|1.359450|1.413520|1.364626|1.275766|1.234331|4.404355|4.085992|5.513795|0.141525|8.841816|17.538628|8.927162|5.839048|4.912428|0.045153|0.040542|0.042785|0.044101|0.063534|0.076565|0.040144|0.037161|0.036136|0.044824|0.046607|0.039681|0.038364|0.034567|0.041245|0.038588|0.034371|0.032566|0.088579|0.109307|0.110440|0.220823|0.207160|0.500000| |1.669923|1.825613|3.511275|2.420874|1.882824|0.052116|2.168240|2.530088|2.928760|2.690302|3.067860|0.059117|2.069702|2.462272|1.722188|0.043979|1.679211|3.095642|2.765348|1.490813|1.675395|1.483861|1.389812|1.305046|1.694982|0.032923|1.276644|1.369322|1.410878|1.347094|1.258572|1.227237|4.957390|4.495067|6.543469|0.198299|8.812928|17.495486|8.929460|6.109096|5.308212|0.047984|0.043103|0.044836|0.046482|0.071279|0.078785|0.043873|0.039916|0.039038|0.046659|0.047692|0.040807|0.039879|0.035544|0.041253|0.037809|0.033694|0.032349|0.104625|0.110386|0.123110|0.174180|0.219857|0.304840|0.500000| |1.655604|1.758693|3.351693|2.289640|1.723606|0.047377|1.945447|2.244842|2.516686|2.305179|2.689385|0.051884|1.845255|2.225530|1.566526|0.040648|1.499060|2.708696|2.496619|1.334402|1.513408|1.364819|1.280543|1.196999|1.562239|0.030333|1.185902|1.273640|1.328311|1.278575|1.189613|1.148772|4.172637|3.519247|4.855959|0.131624|5.463668|8.602860|17.688060|9.181935|5.490790|0.048448|0.042625|0.044651|0.044360|0.064219|0.066454|0.038768|0.035625|0.035342|0.041461|0.043262|0.038088|0.036582|0.032447|0.039037|0.036285|0.032040|0.030266|0.087238|0.093270|0.089205|0.139675|0.122176|0.213693|0.201128|0.500000| |2.021936|2.134452|4.088910|2.719086|2.005279|0.054670|2.278032|2.688996|2.985403|2.635163|3.044754|0.057644|2.111764|2.518808|1.777861|0.046165|1.662672|2.957205|2.765283|1.453001|1.679033|1.512923|1.400241|1.292239|1.674872|0.032290|1.278470|1.391434|1.465003|1.399089|1.283957|1.232307|5.085886|4.019102|5.458087|0.140989|4.875694|5.496064|9.176794|17.686868|8.615356|0.060386|0.051163|0.054356|0.052444|0.078498|0.074060|0.041996|0.038444|0.038543|0.045268|0.048040|0.042752|0.040395|0.034885|0.043666|0.039908|0.034413|0.032213|0.106760|0.107939|0.094362|0.130468|0.106764|0.127943|0.131082|0.221968|0.500000| |2.566139|2.835348|5.577132|3.592666|2.692521|0.072873|3.217659|4.114176|4.756800|3.810690|4.156094|0.075643|2.870573|3.278778|2.300507|0.058427|2.116430|3.755696|3.456609|1.784114|2.112193|1.855528|1.678997|1.528939|1.952662|0.037304|1.489132|1.648205|1.733257|1.621694|1.469135|1.414175|9.384966|6.631123|8.788121|0.219108|5.520723|4.900475|5.828686|8.942334|17.542292|0.076357|0.063331|0.068139|0.067683|0.122616|0.103211|0.051882|0.046733|0.046775|0.056575|0.060243|0.052435|0.049375|0.041240|0.052371|0.045945|0.038878|0.036619|0.203500|0.163624|0.137137|0.140621|0.123153|0.109142|0.122995|0.127940|0.215372|0.500000| 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