Version2.0 2020-02-04T12:10:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)c1ccc(cc1)OCc2c3ccc(c(c3on2)CN4CCN(CC4)c5cccc[nH+]5)O C41585930 RHF 6-31G(d) (6D,7F) CCOC(=O)c1ccc(cc1)OCc2c3ccc(c(c3on2)CN4CCN(CC4)c5cccc[nH+]5)O C01[X(C27H29N4O5)] 189 C1 598 CCOC(=O)c1ccc(cc1)OCc1noc2c1ccc(c2CN1CCN(CC1)c1cccc[nH+]1)O CCOC(=O)c1ccc(cc1)OCc1noc2c1ccc(c2CN1CCN(CC1)c1cccc[nH+]1)O CCOC(=O)c1ccc(OCc2noc3c(CN4CCN(CC4)c5cccc[nH+]5)c(O)ccc23)cc1 InChIKey=DHRLEGGAGYYVJD-UHFFFAOYSA-O InChI=1S/C27H28N4O5/c1-2-34-27(33)19-6-8-20(9-7-19)35-18-23-21-10-11-24(32)22(26(21)36-29-23)17-30-13-15-31(16-14-30)25-5-3-4-12-28-25/h3-12,32H,2,13-18H2,1H3/p+1 InChI=1/C27H28N4O5/c1-2-34-27(33)19-6-8-20(9-7-19)35-18-23-21-10-11-24(32)22(26(21)36-29-23)17-30-13-15-31(16-14-30)25-5-3-4-12-28-25/h3-12,32H,2,13-18H2,1H3/p+1/fC27H29N4O5/h28H/q+1 CCOC(=O)c1ccc(cc1)OCc2c3ccc(c(c3on2)CN4CCN(CC4)c5cccc[nH+]5)O C01[X(C27H29N4O5)] 189 C01 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933.5541 939.5964 952.8994 956.7895 961.0946 973.8279 982.0762 1000.3366 1048.3910 1072.9664 1077.6582 1090.1193 1097.0777 1101.8194 1105.1967 1108.0235 1109.4585 1118.7695 1122.2655 1130.6301 1147.2796 1155.7535 1166.0742 1167.3777 1180.0030 1201.8753 1205.1169 1208.0738 1231.5490 1243.6750 1251.0418 1258.1831 1260.0583 1273.6564 1281.1526 1296.8001 1298.1913 1301.5062 1319.9146 1320.2564 1341.9178 1354.3943 1361.6236 1374.7321 1383.2638 1389.1288 1414.1488 1422.0289 1425.6883 1426.8458 1445.7183 1452.8197 1457.7164 1459.4177 1479.8480 1500.0197 1514.1214 1515.1114 1537.3950 1539.3565 1545.5694 1559.1649 1567.6555 1572.5669 1581.9455 1586.4531 1587.7189 1592.1206 1609.8836 1624.7912 1630.4246 1635.1268 1643.1670 1643.7308 1648.8469 1653.6714 1662.5320 1666.2161 1671.9731 1676.0362 1695.2431 1724.1495 1775.8083 1795.3852 1811.4314 1813.5008 1817.9002 1842.7418 1848.5423 1986.2243 3160.8083 3167.6807 3205.5150 3215.9430 3216.5291 3218.9111 3239.3916 3247.6602 3263.8033 3280.6757 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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 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 4486.3033 75361.6521 76498.2815 0.99999 0.00403 0.00020 -0.00404 0.99985 0.01684 -0.00013 -0.01684 0.99986 1 0.01931 0.00115 0.00113 0.40228 0.02395 0.02359 12.28 15.01 24.48 31.86 42.77 56.65 69.73 76.44 96.82 109.03 115.83 131.96 153.12 167.80 190.87 209.69 235.43 239.86 265.96 276.13 340.19 374.52 387.80 395.81 403.71 410.18 437.61 460.69 476.67 497.04 518.36 547.58 589.65 603.71 635.22 647.06 670.02 671.40 691.36 701.95 738.93 759.29 776.09 797.27 805.56 819.76 836.95 855.99 927.68 965.26 973.91 990.44 997.33 1009.16 1031.30 1060.62 1079.64 1112.06 1126.31 1136.12 1159.14 1186.31 1235.66 1237.56 1243.74 1270.86 1283.17 1295.09 1330.77 1337.74 1343.18 1351.87 1371.01 1376.61 1382.80 1401.12 1412.99 1439.26 1508.40 1543.76 1550.51 1568.44 1578.45 1585.27 1590.13 1594.20 1596.26 1609.66 1614.69 1626.72 1650.68 1662.87 1677.72 1679.60 1697.76 1729.23 1733.89 1738.15 1771.92 1789.37 1799.97 1810.24 1812.94 1832.51 1843.29 1865.81 1867.81 1872.58 1899.06 1899.55 1930.72 1948.67 1959.07 1977.93 1990.21 1998.65 2034.64 2045.98 2051.25 2052.91 2080.07 2090.28 2097.33 2099.78 2129.17 2158.19 2178.48 2179.91 2211.97 2214.79 2223.73 2243.29 2255.51 2262.57 2276.07 2282.55 2284.37 2290.71 2316.26 2337.71 2345.82 2352.58 2364.15 2364.96 2372.32 2379.26 2392.01 2397.31 2405.60 2411.44 2439.08 2480.67 2554.99 2583.16 2606.25 2609.22 2615.55 2651.29 2659.64 2857.73 4547.70 4557.59 4612.02 4627.02 4627.87 4631.30 4660.76 4672.66 4695.88 4720.16 4723.56 4727.33 4734.21 4735.86 4757.91 4776.09 4846.94 4879.97 4890.40 4891.52 4897.38 4913.99 4916.62 4919.70 4934.07 4956.73 4994.06 5578.99 5763.17 0.576802 0.606560 0.607504 0.509581 -1630.632597 -1630.602839 -1630.601895 -1630.699818 3.284354D-04 MUNgauss RevisionA2.0 retrievium 04-Feb-2020 DUDE CCOC(=O)c1ccc(cc1)OCc2c3ccc(c(c3on2)CN4CCN(CC4)c5cccc[nH+]5)O C41585930 RHF 6-31G(d) (6D,10F) C1 489.213795 |X|Y|Z| 41.627913 32.819885 198.872578 64.768752 30 6 7 8 24 4 2 |36.858105| |12.585805|36.858105| |8.037109|13.353762|73.516695| |5.274451|8.108713|25.611246|36.858105| |4.617975|7.192833|15.295115|15.988267|73.516695| |4.056700|5.183455|14.436246|12.804912|14.322164|36.858105| |3.180923|3.951094|9.358830|7.693903|12.017736|13.653728|36.858105| |2.684026|3.146663|7.126856|5.080546|8.079927|7.916978|13.861924|36.858105| |2.660526|2.992711|6.828399|4.467518|6.771933|6.859760|7.957794|13.673272|36.858105| |3.104252|3.423149|8.180365|5.024240|7.092982|7.899137|6.864950|7.903394|13.749770|36.858105| |3.966562|4.560812|12.306890|7.562033|9.385259|13.767443|7.953609|6.882427|7.959556|13.722766|36.858105| |2.251457|2.470445|5.375974|3.394292|5.369185|4.616168|5.306592|8.204922|14.084700|7.872022|5.202888|73.516695| |2.131818|2.269442|4.860360|2.931378|4.615157|3.788735|3.990414|5.258017|7.993714|6.726534|4.515904|24.208498|36.858105| |1.827428|1.935757|4.024586|2.422865|3.928672|2.987339|3.216163|4.109879|5.259656|4.430016|3.355659|14.514065|12.720278|36.858105| |1.685993|1.797971|3.687328|2.242837|3.712005|2.713557|3.000558|3.808737|4.448585|3.660257|2.922078|11.427607|7.185230|13.211121|36.858105| |1.679944|1.811457|3.701446|2.283829|3.830761|2.749204|3.121860|3.969272|4.338006|3.486367|2.867232|10.407658|5.562924|7.190239|13.630153|36.858105| |1.510325|1.622167|3.255902|1.997096|3.402348|2.333274|2.628222|3.189045|3.337242|2.794709|2.392403|7.370239|4.005159|5.017164|8.027001|13.904871|36.858105| |1.386343|1.474338|2.932125|1.776429|3.028728|2.046586|2.262099|2.684451|2.837426|2.449178|2.114224|6.183358|3.532750|4.601742|6.924719|7.880019|13.518340|36.858105| |1.385802|1.462870|2.915409|1.751031|2.960345|2.023406|2.205411|2.619244|2.848548|2.492171|2.125730|6.319686|3.814768|5.353896|7.780256|6.673341|7.774691|13.727988|36.858105| |1.520134|1.604904|3.240463|1.946602|3.247923|2.293994|2.493810|3.034117|3.440682|2.975822|2.457806|8.083744|5.190773|8.669529|13.838247|7.938629|6.989171|8.133245|13.668548|36.858105| |1.525755|1.595636|3.221263|1.911815|3.165366|2.246663|2.391581|2.868975|3.330692|2.979897|2.450738|7.688671|5.326156|8.877970|8.593829|5.400684|4.710722|5.272531|7.851387|14.315117|73.516695| |1.701342|1.778845|3.646490|2.160015|3.519127|2.592749|2.730870|3.331905|4.095831|3.686060|2.909839|9.874420|7.925995|14.939714|8.491332|5.251536|4.192832|4.225423|5.355895|8.643280|24.533813|53.358707| |1.264417|1.324858|2.612260|1.554803|2.639795|1.767473|1.901722|2.203697|2.374453|2.132408|1.853514|5.073664|3.077137|4.054044|4.977636|4.366974|4.947311|7.470173|12.614036|7.501411|11.362965|5.981697|36.858105| |1.183488|1.234714|2.415797|1.430125|2.436978|1.606982|1.715523|1.954880|2.088391|1.904887|1.679884|4.346660|2.619607|3.278396|3.934088|3.689294|4.322477|6.262089|7.671678|5.205365|8.119106|4.712222|12.962530|53.358707| |1.094798|1.138010|2.209927|1.302589|2.228541|1.448401|1.537643|1.728695|1.831536|1.689039|1.508260|3.739481|2.238491|2.712325|3.097678|2.914424|3.307827|4.369031|5.063630|3.899711|6.534056|3.954712|7.885308|17.917588|36.858105| |1.029275|1.067204|2.059533|1.210031|2.077445|1.333697|1.409452|1.566476|1.647574|1.532488|1.383467|3.308294|1.964564|2.311990|2.616286|2.539185|2.894256|3.638566|3.876795|3.120019|5.205837|3.302019|5.056869|10.583041|12.495515|36.858105| |1.038839|1.072322|2.069598|1.209815|2.069050|1.332777|1.397799|1.548993|1.642277|1.542025|1.391459|3.286909|1.975042|2.307833|2.588038|2.506973|2.816045|3.443228|3.657082|3.042578|5.116149|3.289847|4.456339|9.069521|7.712256|12.969864|53.358707| |1.118858|1.156856|2.246218|1.315389|2.240031|1.460240|1.533636|1.713381|1.831841|1.713480|1.532230|3.705031|2.245946|2.660713|3.051311|2.966014|3.368119|4.174426|4.402354|3.605709|5.885160|3.747638|5.060301|10.649544|6.692349|7.726600|17.555774|36.858105| |1.198249|1.242133|2.431452|1.428561|2.420024|1.604386|1.692234|1.918749|2.078157|1.925557|1.695058|4.302807|2.655240|3.287560|3.842753|3.563041|4.009095|5.299709|6.307500|4.910939|7.948745|4.742056|7.824257|17.865629|8.064424|6.663276|10.485528|12.548535|36.858105| |0.980521|1.008076|1.934931|1.125894|1.928618|1.230967|1.283134|1.407978|1.487799|1.410209|1.283744|2.938648|1.760421|2.013081|2.214039|2.158532|2.384994|2.799927|2.922021|2.529260|4.318627|2.858839|3.402502|6.182758|5.172525|7.762363|19.414396|7.763383|5.183330|36.858105| |0.977183|0.999953|1.916322|1.109266|1.895454|1.209531|1.251540|1.366383|1.450097|1.387822|1.266818|2.844892|1.714650|1.935366|2.098947|2.044527|2.219401|2.532209|2.634170|2.353629|4.059171|2.741009|2.943858|5.062871|3.931852|5.027414|10.622466|6.430381|4.486102|13.398137|36.858105| |0.918934|0.937651|1.787489|1.031400|1.766454|1.116971|1.151353|1.247069|1.317335|1.268162|1.166907|2.558075|1.533228|1.704632|1.827017|1.787647|1.922973|2.151001|2.218776|2.016279|3.503134|2.407138|2.445279|4.031770|3.160005|3.921951|7.095360|4.423386|3.401411|7.908159|14.025188|36.858105| |0.869341|0.888071|1.687416|0.974807|1.675869|1.051689|1.086265|1.172891|1.230657|1.182474|1.093036|2.380799|1.415260|1.568039|1.679451|1.649762|1.779861|1.989942|2.042453|1.850011|3.214458|2.212781|2.268850|3.700852|2.996117|3.783791|6.247105|3.712514|2.967298|6.760958|7.854602|13.438552|36.858105| |0.872630|0.894569|1.701699|0.986802|1.699709|1.066543|1.107344|1.199494|1.254450|1.197526|1.105002|2.436738|1.442260|1.610010|1.737983|1.709129|1.862613|2.112031|2.167948|1.932590|3.340536|2.275288|2.457267|4.073484|3.436585|4.596045|7.196432|3.941945|3.151910|7.925818|6.939201|8.088560|14.191857|36.858105| |0.922753|0.948939|1.813288|1.055283|1.815247|1.147358|1.196819|1.305987|1.369102|1.298197|1.189927|2.684340|1.592425|1.803072|1.970780|1.933145|2.132795|2.475892|2.557100|2.228286|3.819480|2.555098|2.973930|5.170518|4.532389|6.836553|11.171565|5.215665|3.977299|14.138786|8.125538|7.090476|8.094594|13.942425|53.358707| |0.918479|0.947122|1.809840|1.056393|1.821260|1.148883|1.203442|1.315026|1.372602|1.295012|1.187222|2.695188|1.589338|1.805418|1.983813|1.951322|2.169396|2.541384|2.616544|2.252730|3.842239|2.556793|3.090653|5.380414|4.951465|7.926427|10.333996|4.867038|3.896092|9.407382|5.850193|5.175522|5.905938|9.442118|26.039649|0.500000| |1.275581|1.353940|2.662066|1.607686|2.767324|1.819950|2.001829|2.316854|2.396688|2.105621|1.859693|5.016637|2.832173|3.475400|4.655861|5.283376|8.142228|14.187158|8.007249|5.295944|7.074788|4.474302|6.534771|8.997379|4.757645|4.146844|5.160486|4.502794|5.245226|3.051439|2.688313|2.277717|2.129849|2.295560|3.710470|0.078918|73.516695| |17.572374|8.850021|12.872986|4.899814|7.463347|3.979196|3.115959|2.672010|2.694267|3.187420|4.042530|4.065640|2.186536|1.867253|1.703775|1.678393|1.504507|1.388621|1.398842|1.541933|2.776017|2.384318|1.280269|1.624850|1.106227|1.036556|1.422610|1.123820|1.208122|0.985734|0.981742|0.922778|0.873046|0.876759|1.262510|0.025651|2.264873|0.500000| |17.571304|8.849393|12.871467|4.897532|7.461292|3.976719|3.112642|2.669560|2.692844|3.187004|4.042539|4.064144|2.186567|1.867479|1.722484|1.717969|1.541810|1.412446|1.410709|1.549199|2.761093|2.360068|1.284084|1.641417|1.112468|1.047968|1.446296|1.148624|1.228194|1.003860|1.003992|0.943880|0.890297|0.891338|1.282429|0.025990|2.307837|0.300715|0.500000| |17.559425|8.900524|10.210866|4.275468|7.114601|3.364145|2.760610|2.361027|2.322324|2.642157|3.248482|3.559072|1.901955|1.656155|1.541017|1.539829|1.397616|1.289026|1.286410|1.400422|2.496339|2.111685|1.180587|1.510591|1.031237|0.973132|1.336252|1.053301|1.122638|0.929639|0.927030|0.874648|0.829395|0.832131|1.194364|0.024267|2.122262|0.300819|0.300813|0.500000| |8.811001|17.624311|16.525405|7.274283|12.944027|4.763379|3.810832|3.034981|2.838324|3.163859|4.089625|4.204591|2.161425|1.861958|1.733406|1.743618|1.568909|1.432177|1.422765|1.556117|2.754718|2.342038|1.294089|1.637906|1.113420|1.042876|1.420035|1.120620|1.203828|0.980633|0.969745|0.910148|0.864711|0.873045|1.260294|0.025728|2.344485|0.211131|0.172955|0.211579|0.500000| |8.810385|17.623213|16.524348|7.267931|12.935619|4.759536|3.805073|3.031568|2.836784|3.163570|4.089833|4.203081|2.161507|1.862221|1.753044|1.787893|1.611131|1.458232|1.435212|1.563574|2.740266|2.319218|1.298028|1.654806|1.119762|1.054446|1.443467|1.145076|1.223583|0.998378|0.991052|0.930263|0.881371|0.887361|1.280002|0.026068|2.392001|0.172955|0.211108|0.211560|0.302477|0.500000| |3.044782|3.867590|8.584018|7.197411|13.536229|8.933425|17.752696|8.947425|5.650799|4.950647|5.665289|7.611155|3.331472|2.816889|2.702599|2.860144|2.476046|2.139439|2.063845|2.287323|3.873066|3.309215|1.794894|2.217674|1.469435|1.353780|1.819971|1.458675|1.597210|1.230851|1.197995|1.105708|1.047685|1.069861|1.570598|0.032306|3.415892|0.081662|0.081553|0.074927|0.106626|0.106392|0.500000| |2.358334|2.738196|5.927407|4.127751|6.966680|5.623322|8.902420|17.740995|8.943121|5.646950|4.959020|13.501071|4.875963|4.135774|4.048260|4.392488|3.544787|2.929538|2.805880|3.208367|5.253510|4.542587|2.336028|2.801747|1.813583|1.637375|2.184765|1.774044|1.991168|1.451492|1.398162|1.272771|1.200512|1.234067|1.836003|0.037898|4.485534|0.065051|0.064976|0.058674|0.074404|0.074295|0.213646|0.500000| |2.931680|3.095557|7.112222|4.100689|5.935572|5.646000|4.951611|5.617096|8.859060|17.763396|8.951536|12.475587|7.444399|4.707163|3.712578|3.401256|2.734298|2.440314|2.531441|3.063746|5.604500|5.461732|2.179825|2.652510|1.727199|1.564354|2.157393|1.766311|1.994190|1.450477|1.434528|1.309121|1.215227|1.226490|1.809372|0.036698|3.717129|0.084792|0.084796|0.069785|0.079313|0.079318|0.107550|0.123950|0.500000| |4.672556|5.065020|13.953677|6.959879|8.629983|8.941211|5.653522|4.960348|5.665218|8.946257|17.761542|7.458673|3.912984|2.994084|2.607598|2.536026|2.153547|1.931977|1.954305|2.242512|4.024092|3.634998|1.726955|2.148087|1.426443|1.315089|1.808664|1.458294|1.603583|1.233106|1.223315|1.131560|1.059495|1.067106|1.557296|0.031625|3.047599|0.135519|0.135646|0.102536|0.121462|0.121557|0.124506|0.107686|0.217247|0.500000| |2.190460|2.308299|4.948667|2.934416|4.579110|3.755430|3.813411|4.784505|7.073536|6.781405|4.604321|16.538793|17.546057|8.979773|6.208857|5.183381|3.821773|3.347738|3.543582|4.633105|8.295366|8.689769|2.883148|3.443668|2.158951|1.923751|2.674454|2.256662|2.632167|1.763320|1.737865|1.555655|1.426354|1.442633|2.159676|0.043692|4.842632|0.062009|0.063393|0.054130|0.060169|0.061425|0.088514|0.120399|0.225226|0.113573|0.500000| |2.186776|2.302590|4.933942|2.923139|4.561418|3.737756|3.794810|4.758605|7.024907|6.742690|4.582892|16.437051|17.605118|8.995270|5.470809|4.316775|3.334950|3.061186|3.369241|4.455721|8.768219|10.300792|2.844168|3.301989|2.116917|1.857696|2.536423|2.087285|2.454825|1.672534|1.632075|1.468394|1.360179|1.384715|2.070761|0.042179|4.476677|0.063281|0.061941|0.054046|0.061245|0.060036|0.088147|0.119927|0.224892|0.113189|0.300167|0.500000| |1.815306|1.979408|4.087020|2.558981|4.284013|3.134741|3.642884|4.766498|5.106246|3.943246|3.230893|11.994032|5.746208|6.306802|8.831183|17.754375|8.944840|5.611014|4.850383|5.639363|7.743266|6.184742|3.505328|4.173198|2.508044|2.235464|3.023475|2.591642|3.005083|1.949169|1.866502|1.652210|1.529425|1.575228|2.396473|0.049239|7.579476|0.050054|0.051666|0.045991|0.052650|0.054525|0.091911|0.148503|0.103537|0.077888|0.152860|0.121392|0.500000| |1.481176|1.597751|3.185212|1.962098|3.378701|2.264840|2.565861|3.052979|3.088929|2.606131|2.282188|6.511069|3.437121|4.015213|5.663763|8.917860|17.750861|8.938694|5.610630|5.016182|6.618263|4.649117|4.070760|5.138968|2.999402|2.718941|3.603348|3.123728|3.522282|2.278310|2.126431|1.860086|1.731765|1.811460|2.802660|0.058273|13.449629|0.040723|0.042002|0.038217|0.042932|0.044430|0.068264|0.095041|0.069958|0.057162|0.092817|0.080871|0.213354|0.500000| |1.272614|1.326167|2.616976|1.547628|2.613514|1.760020|1.874336|2.165307|2.367029|2.153712|1.864689|5.055850|3.155222|4.186427|4.766971|3.945416|4.155381|5.569798|8.925690|7.271286|13.366972|6.637407|17.519998|12.232806|6.946107|4.563446|5.680033|4.615324|7.091571|3.271491|2.885579|2.412111|2.229681|2.392191|3.892065|0.081571|8.539635|0.035970|0.035898|0.032975|0.035989|0.035917|0.048851|0.062948|0.061920|0.048531|0.081751|0.082796|0.089986|0.095996|0.500000| |1.228716|1.291827|2.537834|1.516371|2.591209|1.715412|1.858025|2.144617|2.271619|2.029119|1.779952|4.801179|2.834057|3.627924|4.368497|3.972177|4.540021|6.556837|8.932709|6.031600|9.404984|5.282160|17.553937|12.565728|7.495679|4.840931|5.440732|4.235467|5.708087|3.134643|2.681021|2.272726|2.155433|2.365250|3.871172|0.083997|11.112291|0.034565|0.034498|0.031947|0.035232|0.035163|0.049119|0.063777|0.057028|0.045983|0.072875|0.073552|0.090602|0.107274|0.302914|0.500000| |1.088475|1.126400|2.186578|1.282474|2.186851|1.424846|1.501882|1.683735|1.797896|1.673064|1.492905|3.663074|2.223025|2.687323|2.971164|2.720271|2.977152|3.788518|4.563110|3.754713|6.655624|4.026113|6.962374|12.292153|17.454924|8.874835|9.306765|5.849484|7.234036|4.953214|3.899421|3.164264|2.988263|3.380793|5.918787|0.128198|6.923386|0.030657|0.030720|0.028478|0.030623|0.030685|0.039732|0.048686|0.047877|0.039401|0.059517|0.059165|0.065554|0.074510|0.202356|0.179369|0.500000| |1.079553|1.125996|2.183298|1.291752|2.219480|1.433817|1.530988|1.720368|1.804763|1.654109|1.482638|3.674956|2.166969|2.610107|2.982323|2.835035|3.234569|4.246420|4.798594|3.705533|6.176125|3.780644|7.300026|12.477422|17.593429|8.987426|7.669480|4.982530|5.757649|4.217898|3.297175|2.761569|2.691876|3.111489|5.395120|0.124455|8.400896|0.030305|0.030360|0.028280|0.030717|0.030774|0.040846|0.050494|0.046650|0.038841|0.057431|0.057115|0.068093|0.082231|0.174012|0.234121|0.301425|0.500000| |0.980945|1.014719|1.950721|1.143039|1.965498|1.253414|1.320070|1.457824|1.529203|1.430361|1.298608|3.045761|1.805566|2.098945|2.327725|2.247589|2.513548|3.069162|3.285668|2.740846|4.684621|3.018036|4.216534|7.738855|9.038875|17.617850|12.356485|5.635027|5.044235|7.273278|4.761616|3.921046|3.986879|5.100499|10.410221|0.277775|6.081825|0.027480|0.027696|0.025823|0.027606|0.027823|0.035304|0.042216|0.040570|0.034411|0.049018|0.047905|0.055640|0.065983|0.110624|0.116233|0.223783|0.217034|0.500000| |1.021777|1.063237|2.049123|1.208436|2.083337|1.329592|1.412510|1.568253|1.634194|1.511790|1.369907|3.270342|1.915250|2.238550|2.569116|2.560746|2.989100|3.751399|3.780835|3.003075|4.883766|3.136228|4.678185|9.366860|8.838717|17.533158|12.337444|6.728325|5.675511|6.467634|4.457819|3.606525|3.546883|4.315727|8.343824|0.205006|8.076199|0.028500|0.028880|0.026862|0.028877|0.029271|0.037867|0.045804|0.042569|0.036072|0.052103|0.049994|0.062870|0.079652|0.112431|0.128649|0.173890|0.220276|0.299576|0.500000| |1.120162|1.152646|2.235577|1.301908|2.210432|1.441885|1.501898|1.668852|1.794600|1.697697|1.521238|3.602852|2.204120|2.571125|2.882616|2.788704|3.075781|3.633164|3.830113|3.320135|5.542294|3.621911|4.187375|7.725508|5.022620|5.631354|12.315006|17.716516|8.957244|7.320788|7.480301|4.932505|3.868217|3.876697|6.593918|0.119579|6.703712|0.031246|0.032057|0.029299|0.030920|0.031701|0.039575|0.047578|0.048930|0.040447|0.062403|0.057081|0.068745|0.079656|0.111078|0.098179|0.132081|0.109801|0.126972|0.138817|0.500000| |1.121333|1.164184|2.258750|1.328402|2.270962|1.473170|1.556217|1.738204|1.840904|1.710535|1.534946|3.711973|2.213808|2.601779|3.048017|3.077567|3.618378|4.468150|4.362054|3.505795|5.526630|3.571588|4.721424|9.555801|5.783281|6.829898|12.417272|17.557563|8.884481|6.475905|5.474282|4.024639|3.475449|3.708722|6.516733|0.127599|9.134681|0.031168|0.031981|0.029343|0.031314|0.032134|0.041291|0.050295|0.048582|0.040436|0.061901|0.056611|0.074946|0.095647|0.114278|0.113177|0.133473|0.129281|0.139612|0.194164|0.302174|0.500000| |1.273815|1.323155|2.605358|1.533929|2.587890|1.736271|1.834213|2.097497|2.292860|2.114407|1.843322|4.804138|2.993071|3.764638|4.546678|4.222151|4.743321|6.199543|7.246575|5.760625|8.822408|5.290084|7.237419|12.470426|5.763570|4.961220|7.654638|8.994810|17.625120|4.224307|3.896729|3.052911|2.653679|2.758164|4.556723|0.090670|10.085124|0.035609|0.036388|0.033031|0.035474|0.036240|0.047803|0.060376|0.060962|0.048244|0.083455|0.075305|0.097093|0.112828|0.179874|0.145351|0.146172|0.128002|0.109990|0.126905|0.216356|0.218970|0.500000| |1.192754|1.229795|2.406300|1.405362|2.371600|1.576571|1.648691|1.862455|2.035935|1.908632|1.678460|4.202621|2.642157|3.261088|3.629489|3.240370|3.472289|4.365061|5.436741|4.659269|8.219694|4.893363|6.917417|12.289367|7.252570|5.857302|9.322019|8.858201|17.453725|4.971868|4.462717|3.417895|2.961831|3.105483|5.233724|0.103133|7.387617|0.033543|0.033961|0.031036|0.033118|0.033518|0.043066|0.053207|0.055460|0.044366|0.072722|0.069042|0.076997|0.084647|0.207081|0.143955|0.218311|0.146206|0.133840|0.132197|0.217962|0.173792|0.301415|0.500000| |1.022545|1.044937|2.008391|1.160774|1.976088|1.269871|1.310450|1.434061|1.532579|1.470940|1.337100|3.015210|1.833522|2.072932|2.243982|2.174722|2.342487|2.657194|2.779933|2.511604|4.337481|2.935122|3.047557|5.192060|3.819425|4.556898|9.533589|7.043933|4.910148|8.803141|17.844451|9.055108|5.620697|4.996801|7.808830|0.127225|4.918163|0.028536|0.029266|0.026889|0.028066|0.028756|0.034697|0.040611|0.042437|0.035895|0.052034|0.048319|0.055076|0.061929|0.083569|0.075429|0.105927|0.088135|0.115526|0.112641|0.272128|0.160776|0.121759|0.137461|0.500000| 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