Version2.1 2020-12-29T04:34:05Z 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 Cc1c(c(n(n1)[C@@H]2CCS(=O)(=O)C2)C)N3CCN(CC3)C(=O)c4csc(n4)c5ccccc5 C56936012 RHF 6-31G(d) (6D,7F) Cc1c(c(n(n1)[C@@H]2CCS(=O)(=O)C2)C)N3CCN(CC3)C(=O)c4csc(n4)c5ccccc5 C01[X(C23H27N5O3S2)] 174 C1 557 O=C(c1csc(n1)c1ccccc1)N1CCN(CC1)c1c(C)nn(c1C)[C@@H]1CCS(=O)(=O)C1 O=C(c1csc(n1)c1ccccc1)N1CCN(CC1)c1c(C)nn(c1C)[C@@H]1CCS(=O)(=O)C1 Cc1nn([C@@H]2CC[S](=O)(=O)C2)c(C)c1N3CCN(CC3)C(=O)c4csc(n4)c5ccccc5 InChIKey=OGVLBXUSTKWQOU-LJQANCHMSA-N InChI=1S/C23H27N5O3S2/c1-16-21(17(2)28(25-16)19-8-13-33(30,31)15-19)26-9-11-27(12-10-26)23(29)20-14-32-22(24-20)18-6-4-3-5-7-18/h3-7,14,19H,8-13,15H2,1-2H3/t19-/m1/s1 InChI=1/C23H27N5O3S2/c1-16-21(17(2)28(25-16)19-8-13-33(30,31)15-19)26-9-11-27(12-10-26)23(29)20-14-32-22(24-20)18-6-4-3-5-7-18/h3-7,14,19H,8-13,15H2,1-2H3/t19-/m1/s1 Cc1c(c(n(n1)[C@@H]2CCS(=O)(=O)C2)C)N3CCN(CC3)C(=O)c4csc(n4)c5ccccc5 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0.6515 0.7666 0.8367 0.5277 0.8355 0.8537 0.8450 0.8496 0.4851 0.2207 0.2764 0.4915 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 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 6 6 6 6 7 7 6 1 6 6 16 8 8 6 6 7 6 6 7 6 6 6 8 6 6 16 6 7 6 6 6 6 6 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 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 1.00783 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 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 7417.9978 48470.4002 53540.1887 0.99999 -0.00347 0.00115 0.00347 0.99999 -0.00365 -0.00113 0.00365 0.99999 1 0.01168 0.00179 0.00162 0.24329 0.03723 0.03371 13.46 15.85 22.08 33.05 40.30 54.06 66.07 87.70 100.08 103.93 137.66 141.09 166.03 175.31 210.09 238.56 261.22 274.64 297.21 310.69 331.74 345.08 361.07 427.34 431.52 453.14 456.60 470.19 484.13 514.63 541.84 565.82 590.90 616.62 631.03 649.56 653.26 685.97 718.37 736.03 746.81 751.01 761.01 852.95 899.24 906.48 937.67 961.09 973.78 998.08 1031.91 1042.66 1068.28 1091.68 1103.46 1128.26 1132.78 1144.27 1174.70 1226.12 1241.48 1251.23 1257.00 1264.68 1346.11 1348.93 1373.13 1376.38 1403.09 1419.63 1440.85 1456.94 1486.17 1514.76 1523.77 1526.24 1567.23 1574.05 1579.95 1592.25 1593.20 1620.74 1628.15 1633.02 1648.48 1657.04 1683.02 1685.99 1691.75 1703.98 1712.05 1737.57 1752.84 1761.40 1774.42 1778.04 1809.00 1863.51 1878.91 1880.53 1927.23 1932.79 1945.65 1961.58 1965.37 1980.58 1983.34 1996.62 2045.77 2055.96 2072.33 2081.82 2096.71 2109.77 2125.66 2128.95 2154.50 2161.72 2164.98 2212.68 2228.24 2231.86 2253.05 2272.96 2277.86 2296.92 2311.53 2316.27 2318.57 2336.12 2345.69 2349.13 2356.14 2358.26 2368.96 2372.00 2375.47 2386.10 2391.63 2392.24 2434.32 2444.54 2496.20 2566.68 2576.54 2603.72 2748.07 4543.63 4554.14 4586.89 4602.41 4616.82 4631.05 4686.38 4691.19 4699.13 4704.14 4709.29 4716.43 4721.14 4734.13 4755.13 4764.75 4781.86 4809.26 4817.37 4820.97 4835.98 4847.83 4863.40 4866.24 4880.23 4907.26 5002.68 0.522598 0.551220 0.552164 0.456595 -2177.941745 -2177.913122 -2177.912178 -2178.007747 3.205400D-04 MUNgauss RevisionA2.0 retrievium 29-Dec-2020 DUDE Cc1c(c(n(n1)[C@@H]2CCS(=O)(=O)C2)C)N3CCN(CC3)C(=O)c4csc(n4)c5ccccc5 C56936012 RHF 6-31G(d) (6D,10F) C1 485.155534 |X|Y|Z| 157.602219 59.654339 29.287914 65.057535 28 6 7 16 21 5 2 |36.858105| |12.698288|36.858105| |7.195006|13.362560|36.858105| |5.165733|8.608746|13.917127|36.858105| |5.369333|9.005003|8.751332|14.135085|53.358707| |7.849343|14.656515|8.508583|8.548880|19.334712|53.358707| |3.962037|5.480916|5.303857|7.568667|17.999724|10.813807|36.858105| |3.409586|4.587171|4.873976|7.296778|12.696501|7.932964|17.626253|0.500000| |3.607084|4.589777|4.222682|5.282356|10.443461|8.679584|12.375972|0.245336|36.858105| |2.871443|3.434731|3.217778|3.878252|6.853570|6.021887|7.656683|0.187861|12.374732|36.858105| |2.787872|3.321650|3.129262|3.767262|6.568783|5.766764|7.289902|0.183595|7.103599|10.573973|388.023441| |2.598407|2.952142|2.707386|3.089714|5.232148|4.994018|5.036975|0.124695|5.194642|7.120714|94.375357|73.516695| |2.442177|2.905647|2.875121|3.509512|5.662338|4.785353|5.927923|0.178099|5.385838|7.234298|94.092087|13.603934|73.516695| |3.617289|4.610559|4.251758|5.326446|10.484375|8.691196|12.427262|0.247126|7.776938|7.141397|75.925559|12.723275|12.954361|36.858105| |3.711778|5.165209|7.361813|12.735026|10.306605|7.084149|6.143960|0.202015|4.506788|3.581300|25.000898|5.053479|6.273903|4.545660|36.858105| |5.757248|7.374839|13.467792|7.736431|7.317497|7.164730|3.877896|0.104426|3.258927|2.623232|18.249656|4.028209|4.316039|3.280100|6.120414|53.358707| |5.241895|5.823685|7.836750|5.485766|5.830940|5.930776|3.286214|0.088435|2.765371|2.315337|16.670680|3.762108|3.966481|2.974930|4.682611|17.821213|36.858105| |3.803947|4.036440|5.097687|4.097120|4.485011|4.448297|2.686561|0.074183|2.326477|1.998198|14.322621|3.254794|3.475388|2.451349|3.900499|10.601655|12.515155|36.858105| |3.659688|3.727708|4.523994|3.631449|4.073830|4.108982|2.464664|0.067732|2.207668|1.892022|13.245593|3.025964|3.197763|2.219620|3.438460|9.187841|7.820679|13.082279|53.358707| |3.816167|4.045392|5.106853|4.097196|4.487589|4.453942|2.684348|0.074092|2.433958|2.048213|13.989779|3.157967|3.370850|2.336300|3.894054|10.638382|6.672554|7.850386|17.789558|36.858105| |5.273775|5.841427|7.837396|5.468280|5.824983|5.936096|3.277142|0.088131|2.946517|2.391315|16.139637|3.612941|3.810031|2.773677|4.656854|17.831325|7.891924|6.654753|10.636671|12.524385|36.858105| |3.022793|2.987301|3.430968|2.885422|3.361179|3.407799|2.097055|0.057746|1.909160|1.667564|11.708655|2.706201|2.839562|1.922621|2.780795|6.210535|5.258945|7.903230|19.081971|7.620425|5.176066|36.858105| |2.713913|2.684266|3.041424|2.620760|3.089694|3.119757|1.956213|0.054065|1.772336|1.568352|11.159206|2.593205|2.722443|1.824217|2.557677|5.287297|4.688205|7.061136|11.534619|5.346882|4.072512|15.822950|73.516695| |2.749206|2.664276|2.961172|2.532776|3.020937|3.087541|1.911709|0.052486|1.781738|1.563010|10.826642|2.516883|2.618365|1.748323|2.436353|5.073626|3.949052|5.011990|10.481091|6.331922|4.506085|12.685363|14.582655|36.858105| |2.306295|2.244439|2.462786|2.169287|2.624077|2.664301|1.693591|0.046751|1.589150|1.413323|9.816396|2.293717|2.389128|1.563138|2.122057|4.060532|3.153146|3.911347|7.079467|4.518520|3.446894|7.698410|12.117784|14.177973|36.858105| |2.121634|2.040331|2.185985|1.945715|2.398797|2.453006|1.564746|0.043019|1.495206|1.335527|9.181195|2.157330|2.226348|1.443881|1.891895|3.477466|2.607921|3.018216|5.222531|3.668888|2.993888|4.806928|7.606332|7.573253|11.091344|388.023441| |2.534828|2.399263|2.555292|2.221613|2.734072|2.833306|1.755864|0.047834|1.685430|1.483790|10.098149|2.366096|2.424481|1.602268|2.112596|4.099425|2.995353|3.360649|6.118190|4.542643|3.741566|5.250950|7.547134|8.650801|7.839229|77.616391|36.858105| |2.949135|2.796110|3.036747|2.569915|3.104636|3.222416|1.956637|0.053213|1.852258|1.612612|11.017083|2.565823|2.639827|1.774973|2.420088|5.083507|3.748252|4.314265|8.669801|6.279141|4.830560|7.500645|9.549375|13.844001|8.290374|53.244262|14.890683|53.358707| |2.463973|2.303763|2.392043|2.098677|2.632906|2.753708|1.704610|0.046158|1.665517|1.468390|9.885425|2.327518|2.359643|1.554051|1.977776|3.698361|2.634573|2.812341|4.843312|3.766135|3.366238|3.841612|5.753818|5.260030|4.900180|47.820677|12.882824|10.658830|36.858105| |2.104856|1.990665|2.059520|1.847609|2.339562|2.427665|1.539475|0.041882|1.516504|1.352271|9.089083|2.147594|2.179421|1.410084|1.763950|3.122643|2.222382|2.366584|3.924368|3.043624|2.752118|3.112036|4.850337|4.060970|4.105407|42.421541|7.602261|7.069743|13.701486|36.858105| |2.003036|1.886000|1.920295|1.738389|2.233039|2.327909|1.482174|0.040177|1.478579|1.324218|8.843310|2.099514|2.113181|1.360317|1.652619|2.844330|2.006411|2.086716|3.364059|2.631626|2.474244|2.593051|4.102584|3.192335|3.170851|29.662334|5.048471|5.370693|7.910953|13.758346|36.858105| |2.171980|2.015223|2.016533|1.815793|2.356368|2.486737|1.559931|0.041937|1.569669|1.399165|9.283273|2.209838|2.200419|1.429518|1.701170|2.943859|2.056995|2.089321|3.339185|2.638173|2.572275|2.507313|3.947859|2.995987|2.860539|24.976968|4.470918|5.114535|6.846639|7.940323|13.760834|36.858105| |2.573801|2.342094|2.325214|2.052250|2.656925|2.840977|1.732536|0.046230|1.736928|1.529156|10.136974|2.407453|2.386329|1.580163|1.890252|3.410399|2.369907|2.376161|3.850693|3.067242|3.051677|2.843209|4.388754|3.390181|3.091377|25.943091|5.079291|6.081194|7.917017|6.882492|7.945162|13.733427|36.858105| |2.802040|2.552640|2.586147|2.239152|2.842258|3.028785|1.826260|0.048886|1.799580|1.573021|10.513274|2.481058|2.483179|1.659896|2.062304|3.924318|2.750993|2.816481|4.765069|3.782432|3.625573|3.573365|5.342092|4.490088|3.933843|33.204933|7.693603|8.976181|13.674897|7.934353|6.874444|7.933940|13.784796|36.858105| |17.562977|8.865936|6.342517|4.598541|6.235136|8.252023|3.497380|0.085741|3.309168|2.650269|17.826912|4.154665|3.958167|3.121234|3.458838|7.676377|4.949543|3.788099|5.274939|4.173616|5.915461|3.207776|4.994676|2.999282|2.482714|16.460259|2.850482|4.539378|2.811601|2.361676|2.249196|2.473778|3.007293|3.294450|0.500000| |17.603520|8.981396|5.464476|4.434157|6.790076|10.324610|3.917444|0.091577|3.705143|2.988615|20.613272|4.922211|4.407586|3.713249|3.291309|5.984597|4.091489|3.143594|4.128937|3.148453|4.102521|2.591662|4.206889|2.400633|2.057689|13.675538|2.268890|3.504613|2.242674|1.947743|1.880626|2.052847|2.407897|2.554562|0.301079|0.500000| |17.566956|8.865268|6.361943|4.602174|6.225605|8.226477|3.494896|0.085717|3.112621|2.567512|18.288127|4.306216|4.072646|3.316566|3.462980|7.720574|5.906253|4.179402|5.309272|3.824191|5.018321|3.239993|5.247074|2.878238|2.406335|15.489631|2.575791|4.118150|2.457398|2.090409|1.969457|2.113845|2.495597|2.757185|0.302278|0.301094|0.500000| |4.066960|5.021097|4.257184|4.929257|9.843466|9.933776|8.900297|0.174900|17.613861|8.789913|42.371846|8.823527|7.847158|6.858135|3.975639|4.437967|2.786010|2.320293|3.022401|2.437917|2.992542|1.923805|3.165126|1.805191|1.604432|10.791596|1.724936|2.579018|1.717300|1.558047|1.526080|1.634949|1.822272|1.877775|0.102886|0.120861|0.094809|0.500000| |3.414371|4.309553|4.154309|5.187946|9.130066|7.503737|8.745452|0.216540|17.594196|8.738997|37.819122|7.293583|8.079296|5.593783|4.636633|4.471745|2.722532|2.327056|3.054454|2.527602|3.053907|1.938617|3.174506|1.824450|1.627238|10.939828|1.740315|2.596272|1.726638|1.575780|1.538557|1.632951|1.802969|1.863940|0.090057|0.095160|0.081632|0.302294|0.500000| |2.733136|3.145100|2.877928|3.318124|5.724236|5.407990|5.655882|0.137454|8.658148|17.635437|57.072737|12.666571|10.013480|5.647570|3.029090|3.244851|2.128372|1.848651|2.404561|1.904010|2.211828|1.570786|2.629084|1.484582|1.347312|9.123518|1.426036|2.095855|1.422126|1.314767|1.296006|1.375771|1.500476|1.530039|0.070609|0.080689|0.067862|0.222814|0.189807|0.500000| |2.555236|3.037705|2.952958|3.580491|5.932549|5.086077|6.274376|0.177067|8.667314|17.622015|57.744466|10.141634|13.091195|5.608329|3.496731|3.360197|2.177023|1.911489|2.472618|1.975087|2.269458|1.608525|2.693347|1.512232|1.374874|9.251658|1.436828|2.116616|1.420819|1.315780|1.288452|1.354458|1.470018|1.511164|0.066544|0.072622|0.064159|0.174477|0.220087|0.299822|0.500000| |3.385058|4.264920|4.127908|5.152147|8.959841|7.373891|8.633874|0.216224|5.573574|5.320274|57.303306|10.662946|12.494228|17.626044|4.636280|4.458319|3.058281|2.529935|3.053678|2.323286|2.710675|1.946370|3.316828|1.749813|1.568685|10.212120|1.579510|2.387914|1.517794|1.377309|1.321307|1.379121|1.520120|1.607350|0.081055|0.094395|0.089254|0.138582|0.123782|0.121785|0.127612|0.500000| |4.027397|4.958403|4.220607|4.884156|9.653260|9.710063|8.795664|0.174152|6.853306|6.127780|57.240651|12.459164|9.707007|17.627606|3.957492|4.413290|2.986966|2.432821|3.013930|2.310917|2.768061|1.924084|3.243943|1.755287|1.565643|10.320212|1.618846|2.440517|1.577195|1.426961|1.380580|1.459553|1.621554|1.698427|0.094077|0.119777|0.101894|0.197746|0.138904|0.149949|0.131172|0.298113|0.500000| |3.333799|4.467312|5.790882|8.862661|9.040408|6.359404|6.090741|0.213328|4.281958|3.596552|26.716815|5.330794|6.980766|4.884253|17.549945|6.732471|4.204219|3.566845|4.179782|3.321573|3.810382|2.547034|4.264151|2.223853|1.964728|12.442632|1.923008|2.971222|1.798908|1.617229|1.518713|1.558162|1.718400|1.865178|0.084822|0.084037|0.088462|0.103542|0.117378|0.083725|0.098198|0.148062|0.113880|0.500000| |3.332307|4.465434|5.788589|8.863750|9.047642|6.358419|6.077578|0.212777|4.823916|3.821586|25.249071|5.035881|6.426840|4.301389|17.547639|6.728774|3.823875|3.324285|4.175581|3.556761|4.176281|2.537732|4.134758|2.283538|2.009952|12.953409|2.033347|3.124863|1.927788|1.735991|1.638453|1.688434|1.863163|2.010507|0.088375|0.083949|0.084884|0.113963|0.147261|0.088774|0.107102|0.117241|0.102931|0.301385|0.500000| |3.560292|4.716751|7.047447|9.049511|7.705033|5.996023|4.599436|0.143030|3.639350|2.984852|20.887996|4.369776|5.260409|3.667595|17.630172|9.633991|5.328498|4.639796|5.481897|4.628955|5.292058|3.180717|5.161443|2.729963|2.358240|14.682074|2.298014|3.629338|2.113620|1.874159|1.734655|1.769126|1.965929|2.176289|0.094343|0.085982|0.094529|0.092396|0.104902|0.072125|0.081437|0.104979|0.092053|0.301218|0.301227|0.500000| |6.143498|5.948934|6.739386|4.701488|5.410394|5.887598|3.080621|0.080933|2.653238|2.232119|16.063056|3.691899|3.763820|2.852154|3.880544|12.229101|17.458165|8.908055|9.484462|5.776340|6.973648|5.097035|8.119982|3.957388|3.145395|18.767809|3.078684|5.249350|2.732026|2.281104|2.066406|2.139984|2.498025|2.908026|0.160618|0.129283|0.214504|0.075957|0.071895|0.057786|0.057757|0.080498|0.081722|0.098348|0.091263|0.116471|0.500000| |4.800519|5.587120|7.344232|5.722354|6.118993|6.037078|3.486018|0.094467|2.835010|2.400229|17.786794|3.997269|4.262216|3.239766|4.978810|12.512804|17.587287|8.904538|7.701544|4.991822|5.706555|4.259122|7.187451|3.295930|2.745892|16.351029|2.569799|4.227241|2.292219|1.974030|1.800975|1.843802|2.094323|2.381481|0.119302|0.108539|0.150871|0.078425|0.076161|0.060798|0.062563|0.095339|0.089629|0.131118|0.109017|0.153564|0.301155|0.500000| |3.459704|3.534816|4.179984|3.468898|3.961005|3.985469|2.428518|0.066796|2.116478|1.848063|13.411719|3.086778|3.258175|2.275085|3.304836|7.675309|8.860084|17.684221|12.512782|5.694277|4.984070|7.651652|14.643873|4.807011|3.899536|21.096642|3.197310|5.457641|2.666293|2.263329|1.996192|1.989533|2.245807|2.648253|0.094676|0.081266|0.108689|0.058898|0.058272|0.047824|0.049062|0.065716|0.063215|0.086763|0.079301|0.105373|0.218660|0.210920|0.500000| |3.334485|3.686855|4.787453|4.133739|4.430536|4.222063|2.702154|0.076389|2.319967|2.006084|14.422107|3.245495|3.557041|2.449712|4.231254|9.464763|8.865351|17.508749|12.382960|7.012448|5.790664|6.460589|10.831191|4.412865|3.624519|20.057302|3.051304|5.148602|2.577549|2.215583|1.962126|1.949748|2.182072|2.547714|0.091453|0.078328|0.098668|0.063187|0.064864|0.051154|0.053864|0.070923|0.066294|0.108462|0.099476|0.147181|0.174250|0.217890|0.301752|0.500000| |3.471386|3.546091|4.194108|3.476662|3.970512|3.995650|2.429853|0.066821|2.262495|1.919681|12.969555|2.951873|3.118904|2.125575|3.308172|7.706685|4.982134|5.675710|12.394826|17.730685|8.910632|7.160613|8.818146|7.385310|5.109394|30.699959|5.780431|11.411311|4.675138|3.644357|3.070837|3.050286|3.581298|4.599449|0.108657|0.081377|0.095486|0.063382|0.065751|0.050056|0.051585|0.058213|0.058699|0.079388|0.086777|0.105467|0.129437|0.109488|0.127496|0.143227|0.500000| |3.355417|3.712314|4.830863|4.160787|4.454428|4.245129|2.710331|0.076590|2.439375|2.064650|14.107369|3.153204|3.449977|2.338098|4.250805|9.601789|5.867648|7.087224|12.441207|17.499317|8.906817|6.292530|8.617684|5.267636|4.103458|23.809839|3.894459|6.764542|3.287239|2.767082|2.415683|2.394696|2.707694|3.232530|0.098885|0.078668|0.092471|0.066605|0.071007|0.052872|0.055943|0.065034|0.063160|0.099908|0.108709|0.147981|0.133817|0.131835|0.144311|0.209879|0.300928|0.500000| |4.842182|5.613075|7.343094|5.687222|6.106223|6.045850|3.467127|0.093824|3.198126|2.551222|16.728799|3.706618|3.947521|2.835509|4.925280|12.515026|5.705752|4.979330|7.696308|8.907277|17.584987|4.184140|6.044698|3.875154|3.093024|19.842948|3.472768|5.793460|3.248301|2.711135|2.478977|2.596563|3.056588|3.527387|0.152299|0.108990|0.120885|0.089610|0.094912|0.065328|0.067701|0.075644|0.077760|0.108166|0.129483|0.151616|0.142333|0.128090|0.109426|0.130195|0.213223|0.217818|0.500000| |6.180443|5.950789|6.720875|4.680777|5.394873|5.879646|3.067996|0.080579|2.821223|2.302683|15.534562|3.536802|3.616234|2.657560|3.860353|12.211442|6.971553|5.777095|9.505211|8.918941|17.463873|5.027953|7.047174|4.583218|3.469072|21.941477|4.010751|7.120408|3.684786|2.935300|2.650358|2.812175|3.449539|4.161551|0.213986|0.129473|0.163733|0.081691|0.080252|0.060051|0.060099|0.071522|0.075392|0.090993|0.097655|0.115847|0.203583|0.142260|0.129995|0.132816|0.218729|0.174616|0.300796|0.500000| |2.129837|2.091924|2.301885|2.055061|2.487827|2.507219|1.618452|0.044908|1.511270|1.354193|9.478378|2.217013|2.320728|1.504597|2.035473|3.765393|2.974840|3.749208|6.348705|3.956449|3.076175|6.819641|12.659577|8.799999|17.826041|54.935155|5.467596|7.804714|3.869077|3.412951|2.736770|2.480667|2.638754|3.226111|0.062657|0.053116|0.062058|0.042184|0.042844|0.035817|0.036689|0.042219|0.041730|0.052944|0.053428|0.062938|0.081556|0.073541|0.106967|0.099002|0.117831|0.103845|0.077004|0.084614|0.500000| |1.936834|1.852697|1.934394|1.750852|2.208864|2.271559|1.461597|0.040004|1.433686|1.285979|8.684670|2.050894|2.095167|1.342886|1.692280|2.944398|2.113444|2.287910|3.770469|2.883576|2.554316|3.054572|4.842651|4.011026|4.323398|48.525237|6.973426|6.513277|8.878553|17.717319|8.956353|5.657237|4.957100|5.634734|0.059531|0.049825|0.053728|0.040668|0.041358|0.034663|0.034895|0.036610|0.037593|0.043325|0.046272|0.050177|0.059692|0.052520|0.061192|0.060163|0.094803|0.074242|0.069690|0.074189|0.101263|0.500000| |1.802141|1.709954|1.741628|1.594809|2.056648|2.132249|1.377823|0.037475|1.378310|1.244155|8.315682|1.978607|1.994199|1.269437|1.528203|2.561124|1.811342|1.886158|2.992927|2.327750|2.190039|2.310654|3.715789|2.792608|2.837105|26.271669|4.109153|4.498812|5.637944|8.934070|17.722928|8.911497|5.646081|4.953200|0.055555|0.047333|0.049245|0.039391|0.039847|0.033886|0.033749|0.034293|0.035711|0.039227|0.042250|0.044449|0.051539|0.045619|0.050360|0.049734|0.074208|0.060338|0.061208|0.064319|0.069604|0.216795|0.500000| 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