Version2.4 2021-05-25T22:44:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 27-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1(Cc2c(sc(c2C(=O)[O-])NC(=O)C(=O)N3CCC(CC3)Cc4ccccc4)CO1)C C13609727 RHF 6-31G(d) (6D,7F) CC1(Cc2c(sc(c2C(=O)[O-])NC(=O)C(=O)N3CCC(CC3)Cc4ccccc4)CO1)C C01[X(C24H27N2O5S1)] 171 C1 538 O=C(C(=O)N1CCC(CC1)Cc1ccccc1)Nc1sc2c(c1C(=O)[O-])CC(OC2)(C)C O=C(C(=O)N1CCC(CC1)Cc1ccccc1)Nc1sc2c(c1C(=O)[O-])CC(OC2)(C)C CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)N3CCC(CC3)Cc4ccccc4)c2C([O-])=O InChIKey=IHNWXZYQLKWNDD-UHFFFAOYSA-M InChI=1S/C24H28N2O5S/c1-24(2)13-17-18(14-31-24)32-21(19(17)23(29)30)25-20(27)22(28)26-10-8-16(9-11-26)12-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,25,27)(H,29,30)/p-1 InChI=1/C24H28N2O5S/c1-24(2)13-17-18(14-31-24)32-21(19(17)23(29)30)25-20(27)22(28)26-10-8-16(9-11-26)12-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,25,27)(H,29,30)/p-1/fC24H27N2O5S/h25H/q-1 CC1(Cc2c(sc(c2C(=O)[O-])NC(=O)C(=O)N3CCC(CC3)Cc4ccccc4)CO1)C C01[X(C24H27N2O5S1)] 171 C01 538 O=C(C(=O)N1CCC(CC1)Cc1ccccc1)Nc1sc2c(c1C(=O)[O-])CC(OC2)(C)C O=C(C(=O)N1CC[C@H](CC1)C[C]1[CH][CH][CH][CH][CH]1)NC1=[C]([C]2=C(S1)COC(C2)(C)C)[C]([O])=O CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)N3CCC(CC3)C[C]4[CH][CH][CH][CH][CH]4)c2C([O])=O InChIKey=VUTYRTWYJZZJOW-UHFFFAOYSA-N InChI=1S/C24H27N2O5S/c1-24(2)13-17-18(14-31-24)32-21(19(17)23(29)30)25-20(27)22(28)26-10-8-16(9-11-26)12-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,25,27) InChI=1/C24H27N2O5S/c1-24(2)13-17-18(14-31-24)32-21(19(17)23(29)30)25-20(27)22(28)26-10-8-16(9-11-26)12-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,25,27)/f/h25H 3386.8536760663 -1805.375015 1-A 20941.2248 121 417 538 |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| -91.85854 -20.46236 -20.43721 -20.43657 -20.34613 -20.33965 -15.50129 -15.48820 -11.25970 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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 6 6 6 6 6 16 6 6 6 8 8 7 6 8 6 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 8 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 15.99491 15.99491 14.00307 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 7805.8405 30967.9609 36433.4527 0.99995 0.00976 0.00274 -0.00978 0.99993 0.00718 -0.00267 -0.00721 0.99997 1 0.01110 0.00280 0.00238 0.23120 0.05828 0.04954 9.16 25.39 40.53 49.61 50.26 76.76 82.65 97.83 104.89 130.71 140.46 160.87 212.14 226.38 257.00 274.74 291.29 319.69 337.64 363.05 369.61 387.03 390.53 406.54 432.35 460.70 480.44 522.66 531.70 536.82 551.08 572.10 580.85 588.42 626.70 640.09 658.21 668.45 678.36 727.56 732.01 776.39 788.97 850.72 876.93 906.38 929.02 938.62 979.88 980.50 1028.69 1051.99 1121.71 1136.36 1184.32 1190.44 1205.95 1235.04 1252.31 1272.96 1275.88 1296.37 1301.81 1344.27 1378.01 1386.53 1397.85 1406.78 1428.88 1462.47 1473.64 1477.76 1502.26 1523.26 1536.08 1548.21 1557.30 1566.80 1579.06 1603.61 1605.99 1619.51 1623.52 1627.88 1664.49 1667.00 1703.93 1715.73 1753.99 1763.13 1789.98 1814.46 1836.76 1860.02 1872.16 1883.60 1901.06 1913.31 1919.36 1924.44 1960.21 1972.44 1992.72 2005.02 2017.08 2039.63 2053.72 2058.46 2080.07 2087.93 2117.94 2136.83 2175.96 2190.58 2195.09 2217.61 2226.47 2233.99 2238.29 2251.55 2255.01 2257.02 2312.52 2324.47 2328.79 2345.62 2347.19 2352.81 2361.83 2363.15 2365.44 2375.45 2378.44 2383.10 2397.38 2403.16 2411.08 2528.70 2564.87 2598.32 2604.60 2728.75 2751.32 2815.68 4526.60 4545.85 4573.10 4583.73 4597.69 4606.31 4608.65 4614.87 4616.85 4643.92 4654.45 4676.19 4685.55 4691.44 4705.36 4711.79 4721.37 4729.09 4764.90 4773.81 4803.94 4811.74 4817.71 4833.18 4847.15 4862.27 5026.18 0.517532 0.545154 0.546098 0.455159 -1804.857483 -1804.829861 -1804.828917 -1804.919856 3.050109D-04 MUNgauss RevisionA2.1 retrievium 25-May-2021 DUDE CC1(Cc2c(sc(c2C(=O)[O-])NC(=O)C(=O)N3CCC(CC3)Cc4ccccc4)CO1)C C13609727 RHF 6-31G(d) (6D,10F) C1 455.164069 |X|Y|Z| 28.914889 61.020732 127.990580 60.896498 25 6 7 8 16 21 2 1 1 |36.858105| |12.493335|36.858105| |7.577180|12.401549|36.858105| |4.984034|7.585111|12.644422|36.858105| |4.546462|6.870206|7.723360|14.215002|36.858105| |3.212715|4.232827|4.745198|7.400405|10.944123|388.023441| |3.108435|3.993173|5.065017|8.249023|7.747571|77.810288|36.858105| |3.710186|4.885936|7.199721|13.116988|8.168408|52.135819|14.062837|36.858105| |3.341841|4.038602|5.868514|7.177381|5.022691|33.192735|7.477230|12.432369|36.858105| |2.740998|3.214030|4.250468|5.117101|4.063073|29.745875|6.730776|8.062999|15.218356|73.516695| |3.728783|4.331046|6.572828|6.520061|4.500151|27.499153|5.299384|8.119854|15.596859|15.246121|73.516695| |2.554042|3.111185|3.791717|5.231073|4.972132|49.030017|13.699493|7.896910|6.422875|12.950168|8.112204|53.358707| |2.223199|2.646617|3.068022|4.002414|4.080132|42.090768|7.756539|5.190068|4.452228|8.924775|6.170583|19.373669|36.858105| |2.172471|2.585511|2.897751|3.754224|4.087615|45.286932|6.518925|4.473222|3.696707|6.977999|5.355504|11.418631|15.856026|73.516695| |1.937973|2.241762|2.579570|3.167264|3.121961|28.621728|5.096664|4.010534|3.858249|8.273927|5.516485|10.905059|12.437040|14.163472|36.858105| |1.807029|2.079659|2.351137|2.826686|2.800929|25.077938|4.247876|3.470315|3.376623|7.134194|4.955696|8.220777|8.068418|11.146631|15.854954|73.516695| |1.866064|2.119436|2.457070|2.941019|2.841595|24.739526|4.394235|3.693922|3.739164|8.168300|5.449028|8.526671|7.770794|10.335395|14.117713|14.995819|53.358707| |1.965123|2.217819|2.598559|3.105785|2.985051|25.495601|4.500750|3.872684|3.902595|8.218250|5.741543|8.009219|6.608429|9.557415|7.644009|9.399261|17.809976|36.858105| |2.039678|2.270543|2.724016|3.159724|2.898294|23.105411|4.227235|3.988914|4.417199|9.649632|6.600221|7.010742|4.935186|7.176094|5.422933|7.462538|10.538930|12.472870|36.858105| |1.803477|1.975129|2.325550|2.608937|2.398985|18.755015|3.307083|3.191483|3.633516|8.001887|5.670891|5.406688|3.899207|5.807908|4.646831|6.969295|8.940746|7.504047|12.401597|36.858105| |1.722302|1.902653|2.217310|2.507852|2.326778|18.541721|3.276626|3.087296|3.480271|7.893870|5.347107|5.601575|4.160078|6.048288|5.537443|8.756795|10.626060|6.554077|7.558321|12.406493|36.858105| |1.679607|1.874118|2.151380|2.484675|2.375848|19.750341|3.402113|3.035074|3.209900|7.029534|4.859346|6.062882|5.014421|7.288478|7.842328|12.176693|17.847079|7.801328|6.522499|7.508680|12.457372|36.858105| |1.824471|1.965604|2.329848|2.526802|2.271788|17.019060|2.984551|3.040245|3.642146|7.865782|5.970989|4.613918|3.172651|4.821770|3.552979|5.574332|6.032143|4.905136|7.581033|12.369870|7.449279|4.868253|36.858105| |1.616188|1.720325|1.995699|2.126385|1.936032|14.421065|2.446896|2.485645|2.913853|6.096525|4.905294|3.736263|2.627567|4.085757|2.976836|4.883562|4.878822|3.728729|4.887922|7.400387|6.115109|4.182485|12.573133|36.858105| |1.571449|1.669573|1.927869|2.034754|1.845800|13.643776|2.310812|2.367787|2.804733|5.873133|4.778155|3.510880|2.448436|3.806828|2.774080|4.693285|4.354578|3.167483|3.922402|5.358808|5.302091|3.747117|7.522385|13.704038|36.858105| |1.418255|1.494297|1.697697|1.775361|1.628666|12.003065|1.984255|2.023924|2.340282|4.762595|4.033985|2.979560|2.108327|3.339202|2.375388|4.098226|3.653023|2.635601|3.102074|4.013274|4.079764|3.140247|4.997545|7.878587|13.734416|36.858105| |1.325654|1.389661|1.564821|1.634962|1.515543|11.196541|1.820505|1.842307|2.086259|4.174600|3.599234|2.718983|1.952648|3.136339|2.191041|3.766547|3.393993|2.490164|2.882610|3.696085|3.623731|2.910388|4.412294|6.797840|7.926946|13.764129|36.858105| |1.351254|1.417445|1.599179|1.679915|1.562949|11.603629|1.883046|1.894469|2.128143|4.248786|3.649778|2.816930|2.037965|3.283804|2.284771|3.859395|3.622113|2.734346|3.205079|4.201175|3.852736|3.098843|5.002400|7.874252|6.896613|7.967141|13.738232|36.858105| |1.481634|1.564254|1.786947|1.894338|1.751501|13.063291|2.154808|2.167196|2.459243|4.981427|4.173231|3.252355|2.339619|3.724483|2.632144|4.343526|4.301000|3.341379|4.134187|5.827291|4.829075|3.676223|7.532430|13.674634|7.986143|6.902593|7.932297|13.764309|36.858105| |5.213249|7.915193|6.490509|7.589172|12.700051|47.487412|4.835903|5.051442|3.700636|5.522359|6.293747|4.901539|3.166448|5.814945|2.541264|4.145525|3.192751|2.460479|2.392736|2.033435|1.970388|2.012169|1.946498|1.692632|1.620376|1.450328|1.360857|1.401680|1.553155|36.858105| |8.181737|13.398432|7.848908|6.858855|7.954880|33.536779|3.995351|4.517053|3.569784|5.230113|6.452522|4.210722|2.703786|4.842120|2.250600|3.687740|2.889637|2.243479|2.245326|1.931986|1.853400|1.856540|1.890318|1.652556|1.587413|1.424879|1.336988|1.374159|1.517986|13.617377|73.516695| 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|17.573843|8.851789|6.886475|4.753231|4.351800|22.309301|3.046094|3.615397|3.283796|4.810747|6.521582|3.426576|2.203981|3.836871|1.924700|3.162829|2.553385|2.006282|2.094977|1.840650|1.733732|1.686468|1.867207|1.647028|1.587247|1.430668|1.343944|1.378729|1.517036|4.914694|13.350975|5.527874|0.300485|0.300950|0.500000| |6.551415|8.789819|17.637699|8.929254|5.833242|29.119336|4.645201|6.679274|6.312574|7.997476|13.943829|4.968241|2.934290|4.833275|2.530647|4.152056|3.282902|2.508627|2.671759|2.328513|2.243497|2.145507|2.370945|2.044920|2.003591|1.762552|1.609274|1.629201|1.813800|4.950911|10.104046|7.131917|0.193983|0.137083|0.158805|0.500000| |7.329231|8.809815|17.550347|8.968572|6.215710|29.905858|4.552513|6.267183|5.586828|7.309795|11.699347|4.819642|2.909720|4.884516|2.483309|3.984596|3.298348|2.625294|2.808847|2.383398|2.220719|2.131758|2.418813|2.058807|1.968416|1.729563|1.601749|1.648078|1.850505|5.463834|12.036412|5.518987|0.188191|0.145267|0.218128|0.306398|0.500000| |2.508807|3.003272|3.743485|4.909658|4.351836|37.560608|9.659143|7.722685|7.795626|19.318815|9.266008|25.501932|9.217168|10.674094|7.584742|10.493366|8.875106|5.995614|5.827328|4.551151|4.789818|4.859851|3.928884|3.110454|2.941394|2.443566|2.191941|2.257061|2.631284|3.242829|5.149136|2.859048|0.068305|0.062435|0.068689|0.103685|0.098249|0.500000| |2.128809|2.436868|2.863100|3.530433|3.463159|30.815843|5.405020|4.411686|4.158191|8.338078|6.027936|9.445268|7.952659|11.879381|7.289189|8.892035|12.405789|17.648779|8.814690|5.479062|4.903733|5.656996|4.083915|3.173867|2.761910|2.333934|2.207693|2.399584|2.871146|2.800429|4.455875|2.234159|0.056735|0.053954|0.060554|0.075188|0.080213|0.177942|0.500000| |1.802521|2.006552|2.303787|2.692528|2.631981|22.173905|3.663498|3.213485|3.213729|6.530983|4.903881|6.117791|5.167934|8.223074|5.981491|8.081377|12.560449|17.497438|8.815166|6.709569|5.748810|7.074404|4.471437|3.573571|2.993499|2.548632|2.471375|2.766818|3.363297|2.232730|3.640520|1.863418|0.048549|0.046178|0.051351|0.061618|0.065057|0.124400|0.304098|0.500000| |2.254097|2.541009|3.142371|3.697741|3.268750|25.634178|5.053511|4.944167|5.861449|13.847495|8.309447|8.392887|5.280959|7.384798|5.456324|7.558660|9.342679|8.882392|17.567539|8.829230|6.704722|5.639499|7.089207|4.591308|3.893869|3.046685|2.755359|2.969643|3.735200|2.627254|4.392898|2.321621|0.061875|0.056004|0.063980|0.086441|0.089651|0.211990|0.216209|0.173743|0.500000| |2.059110|2.261840|2.702966|3.076354|2.832033|22.000638|3.855663|3.736431|4.065075|8.243035|6.330328|5.933979|4.171326|6.419593|4.302020|6.137888|7.660338|8.895189|17.506181|8.812355|5.505201|4.912463|6.857522|4.572964|3.600133|2.911143|2.771783|3.147354|4.075036|2.375323|4.009483|2.039958|0.056043|0.051687|0.059574|0.072741|0.079214|0.130849|0.211556|0.216495|0.302199|0.500000| |1.670620|1.814105|2.099748|2.335938|2.187253|17.128408|2.901229|2.774929|3.053920|6.420850|4.863829|4.643584|3.475307|5.379198|4.118045|6.297536|7.842545|6.760510|8.876322|17.449506|8.913997|6.817815|8.858683|6.835370|4.822531|3.851080|3.763704|4.519114|6.373491|1.885914|3.187694|1.694633|0.046019|0.042647|0.047560|0.057949|0.059995|0.103917|0.138992|0.197192|0.174031|0.217541|0.500000| |1.826063|2.031829|2.395825|2.717591|2.477580|19.583829|3.578686|3.424156|4.007997|9.630476|6.053007|6.194833|4.355696|6.152775|5.667761|9.174584|9.569091|5.753265|6.773040|8.838832|17.523126|8.904902|6.925438|5.613053|5.348783|4.033097|3.424992|3.489517|4.241255|2.073765|3.471820|1.954506|0.050913|0.046358|0.050682|0.068273|0.066011|0.156253|0.128639|0.132883|0.195736|0.138464|0.174310|0.500000| |1.583474|1.730248|1.990581|2.209551|2.059980|16.178722|2.773177|2.649917|2.976999|6.523464|4.712850|4.571933|3.411002|5.143405|4.393495|7.409107|7.685011|4.901361|5.496188|8.789215|17.539885|8.868723|6.725348|6.756925|6.128270|4.824818|4.272043|4.470892|5.447250|1.774850|2.990877|1.663502|0.044079|0.040617|0.044237|0.056232|0.055433|0.105991|0.107814|0.128617|0.137911|0.123348|0.216483|0.301946|0.500000| |1.570501|1.736170|1.969046|2.248928|2.176458|17.983812|2.979327|2.674740|2.786058|5.875637|4.311614|5.079973|4.259444|6.589992|6.037045|9.630876|12.474171|7.046991|5.757861|6.756845|8.806079|17.494857|4.465710|3.998299|3.496425|3.020482|2.903460|3.170793|3.733911|1.874201|3.084199|1.662635|0.042942|0.040557|0.044031|0.054184|0.054599|0.109071|0.144083|0.212026|0.131556|0.130002|0.200667|0.173745|0.213947|0.500000| |1.617844|1.808390|2.055368|2.366548|2.277201|18.971505|3.219372|2.864059|3.005590|6.525297|4.574409|5.713380|4.772492|7.025457|7.687260|14.567994|12.566028|5.684456|4.889943|5.475944|8.783897|17.679669|4.042060|3.663179|3.469779|2.991681|2.748498|2.839887|3.238563|1.940729|3.174661|1.764078|0.044458|0.041776|0.044773|0.057317|0.055931|0.126062|0.127652|0.145098|0.126476|0.107978|0.139772|0.215530|0.210956|0.301922|0.500000| |1.964701|2.128062|2.566392|2.775766|2.439847|18.034377|3.254500|3.409461|4.325445|9.736784|7.090283|5.002991|3.299766|4.932526|3.625117|5.717592|5.886799|4.619338|6.961810|8.874521|6.828245|4.567763|17.556548|8.890965|7.248893|4.753919|3.969320|4.185417|5.601268|2.066826|3.582863|1.984652|0.055456|0.049188|0.055523|0.073687|0.073701|0.122813|0.110899|0.111767|0.214907|0.168403|0.174181|0.208131|0.165654|0.111238|0.109274|0.500000| |1.867158|1.991848|2.362485|2.532312|2.275263|16.792609|2.897349|2.990258|3.539248|7.272102|5.943171|4.335882|2.972132|4.610562|3.198725|4.980378|5.336515|4.613390|7.142252|8.876890|5.476939|4.074695|17.518588|8.943657|5.800178|4.273088|3.986675|4.681458|6.959950|1.963837|3.420421|1.827314|0.052190|0.046974|0.053678|0.066163|0.069382|0.100034|0.110759|0.119890|0.182606|0.212932|0.212893|0.141991|0.138533|0.107618|0.094925|0.304413|0.500000| |1.664298|1.778034|2.070764|2.185887|1.960565|14.426395|2.483867|2.573583|3.127741|6.686304|5.324371|3.780753|2.584106|3.968402|2.915309|4.960619|4.476756|3.192872|3.952236|5.137748|5.364428|3.778637|6.987166|8.926380|17.706776|8.924975|5.645778|4.963454|5.664832|1.708042|2.975734|1.708913|0.047499|0.042332|0.046406|0.060474|0.058321|0.089748|0.078180|0.081594|0.114282|0.098508|0.121516|0.165640|0.163005|0.094405|0.098983|0.221788|0.148416|0.500000| |1.381470|1.452850|1.642056|1.707198|1.566225|11.488458|1.890020|1.934681|2.234812|4.515642|3.878765|2.821377|1.990169|3.161900|2.229633|3.904185|3.350088|2.381510|2.744328|3.409104|3.579960|2.847471|4.082279|5.624575|8.923086|17.703180|8.914542|5.653980|4.966279|1.400524|2.451183|1.409986|0.039432|0.035642|0.038511|0.047664|0.046198|0.064156|0.059364|0.063608|0.076199|0.071324|0.089933|0.101452|0.115475|0.075415|0.077233|0.113168|0.098650|0.215925|0.500000| |1.238436|1.292721|1.442964|1.500221|1.398084|10.302712|1.655309|1.673398|1.875659|3.708245|3.252816|2.455066|1.770875|2.870779|1.974586|3.427973|3.011970|2.197499|2.484622|3.074350|3.062288|2.556899|3.532057|4.911899|5.636243|8.902268|17.704854|8.894839|5.639664|1.265127|2.213384|1.244841|0.035059|0.032151|0.034827|0.041223|0.040941|0.054490|0.054757|0.060901|0.066292|0.066731|0.087410|0.081104|0.098870|0.071325|0.068155|0.090371|0.090712|0.124104|0.214457|0.500000| |1.276028|1.332984|1.491495|1.563045|1.465705|10.881214|1.740683|1.744011|1.930114|3.800779|3.319195|2.585950|1.887232|3.078643|2.099682|3.553667|3.306913|2.514130|2.873229|3.617412|3.313431|2.792030|4.085791|5.620070|4.962813|5.654768|8.905879|17.698537|8.926662|1.324750|2.310238|1.265716|0.035794|0.033070|0.036249|0.041996|0.042760|0.056827|0.061898|0.071909|0.073442|0.079739|0.111072|0.083063|0.104600|0.080980|0.071411|0.096319|0.110645|0.107677|0.124139|0.214361|0.500000| |1.488773|1.570698|1.790736|1.905171|1.773205|13.273595|2.170726|2.168786|2.422507|4.848314|4.097598|3.263394|2.369362|3.806380|2.640706|4.293998|4.373294|3.533398|4.366299|5.942593|4.572025|3.650192|7.001605|8.909383|5.663484|4.965238|5.647351|8.939998|17.689685|1.575589|2.733110|1.468728|0.041504|0.038202|0.042596|0.049987|0.051821|0.072379|0.084211|0.101729|0.105525|0.125111|0.198986|0.108964|0.136001|0.105997|0.087512|0.141396|0.202539|0.124326|0.107714|0.124156|0.216149|0.500000| |4.632080|6.689812|5.296611|5.997333|8.878648|42.580275|4.329713|4.379060|3.319031|5.074732|5.630994|4.559910|3.002481|5.564219|2.434707|4.049510|3.016622|2.275133|2.193648|1.895323|1.865486|1.917646|1.810960|1.592589|1.537351|1.384696|1.298497|1.330199|1.463620|17.474027|16.517017|6.775528|0.107388|0.126194|0.116345|0.121953|0.122229|0.083864|0.071061|0.057630|0.066512|0.059867|0.048952|0.054660|0.046973|0.049617|0.051991|0.053378|0.050324|0.045084|0.037336|0.033663|0.034957|0.041065|0.500000| |4.429094|5.816096|5.059603|5.836183|8.880805|44.248592|4.357017|4.333137|3.278536|5.031738|5.546198|4.588181|3.071043|5.795465|2.469102|4.005967|3.129952|2.443604|2.345941|1.986227|1.910189|1.967656|1.887047|1.643415|1.561224|1.402000|1.325553|1.373654|1.522107|17.563139|16.997970|4.806931|0.100521|0.117640|0.122843|0.111139|0.129250|0.083586|0.077944|0.062410|0.070313|0.065443|0.051720|0.055138|0.047872|0.051453|0.052465|0.054979|0.053221|0.045330|0.037472|0.034271|0.036241|0.043194|0.302754|0.500000| |7.034029|8.809853|6.727274|5.131053|4.602057|24.102229|3.363199|4.006408|3.614025|5.307318|6.974630|3.780182|2.380664|4.078465|2.079196|3.528583|2.645802|1.969313|2.020896|1.814908|1.793504|1.756996|1.822724|1.627616|1.615619|1.458818|1.344987|1.350908|1.472565|4.793791|10.089105|17.552337|0.207171|0.177766|0.141868|0.207527|0.143179|0.076321|0.058625|0.049569|0.062797|0.054844|0.046168|0.053907|0.045853|0.044957|0.047941|0.055312|0.050436|0.048315|0.039932|0.034952|0.035188|0.040530|0.136476|0.105812|0.500000| |5.506957|8.726246|6.925300|6.610669|6.641919|32.716581|4.242216|4.851453|3.918287|5.771079|6.968135|4.543680|2.842202|4.941588|2.391466|4.046514|2.967381|2.192158|2.190235|1.932797|1.926549|1.927681|1.893115|1.673334|1.647537|1.479871|1.366747|1.380279|1.513260|6.873147|12.135354|17.581750|0.140715|0.141761|0.123079|0.184482|0.139302|0.088398|0.066441|0.054760|0.068117|0.058864|0.049100|0.057862|0.048729|0.049097|0.052745|0.057147|0.052047|0.049168|0.040303|0.035414|0.035955|0.041831|0.215832|0.137828|0.302465|0.500000| 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