Version2.1 2021-01-10T01:55:14Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1cc(c(s1)NC(=O)c2ccco2)[C@@H](c3ccc(cc3)SC)Nc4cc(cc[nH+]4)C C38547868 RHF 6-31G(d) (6D,7F) CCc1cc(c(s1)NC(=O)c2ccco2)[C@@H](c3ccc(cc3)SC)Nc4cc(cc[nH+]4)C C01[X(C25H26N3O2S2)] 168 C1 540 CCc1sc(c(c1)[C@@H](c1ccc(cc1)SC)Nc1[nH+]ccc(c1)C)NC(=O)c1ccco1 CCc1sc(c(c1)[C@@H](c1ccc(cc1)SC)Nc1[nH+]ccc(c1)C)NC(=O)c1ccco1 CCc1sc(NC(=O)c2occc2)c(c1)[C@H](Nc3cc(C)cc[nH+]3)c4ccc(SC)cc4 InChIKey=HWPJBADRZAUBKX-HSZRJFAPSA-O InChI=1S/C25H25N3O2S2/c1-4-18-15-20(25(32-18)28-24(29)21-6-5-13-30-21)23(17-7-9-19(31-3)10-8-17)27-22-14-16(2)11-12-26-22/h5-15,23H,4H2,1-3H3,(H,26,27)(H,28,29)/p+1/t23-/m1/s1 InChI=1/C25H25N3O2S2/c1-4-18-15-20(25(32-18)28-24(29)21-6-5-13-30-21)23(17-7-9-19(31-3)10-8-17)27-22-14-16(2)11-12-26-22/h5-15,23H,4H2,1-3H3,(H,26,27)(H,28,29)/p+1/t23-/m1/s1/fC25H26N3O2S2/h26-28H/q+1 CCc1cc(c(s1)NC(=O)c2ccco2)[C@@H](c3ccc(cc3)SC)Nc4cc(cc[nH+]4)C C01[X(C25H26N3O2S2)] 168 C01 540 CCc1sc(c(c1)[C@@H](c1ccc(cc1)SC)Nc1[nH+]ccc(c1)C)NC(=O)c1ccco1 CC[C]1=[CH][C](=C(S1)NC(=O)C1=[CH][CH]=CO1)[C@@H]([C]1[CH][CH][C]([CH][CH]1)SC)[NH][C]1[CH][C]([CH]=CN1)C CCc1sc(NC(=O)c2occc2)c(c1)[C@H](N[C]3[CH][C](C)C=CN3)[C]4[CH][CH][C]([CH][CH]4)SC InChIKey=HQMHIOUQXGTTOU-HSZRJFAPSA-N InChI=1S/C25H26N3O2S2/c1-4-18-15-20(25(32-18)28-24(29)21-6-5-13-30-21)23(17-7-9-19(31-3)10-8-17)27-22-14-16(2)11-12-26-22/h5-15,23,26-27H,4H2,1-3H3,(H,28,29)/t23-/m1/s1 InChI=1/C25H26N3O2S2/c1-4-18-15-20(25(32-18)28-24(29)21-6-5-13-30-21)23(17-7-9-19(31-3)10-8-17)27-22-14-16(2)11-12-26-22/h5-15,23,26-27H,4H2,1-3H3,(H,28,29)/t23-/m1/s1/f/h28H 3481.2442189317 -2069.7576182 1-A 17402.3418 122 418 540 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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 12.00000 31.97207 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 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 16720.4569 21332.9640 24857.4586 0.99970 0.01252 0.02103 -0.01178 0.99933 -0.03466 -0.02145 0.03440 0.99918 1 0.00518 0.00406 0.00348 0.10794 0.08460 0.07260 24.52 27.48 37.87 39.61 45.25 53.19 63.69 67.09 76.03 83.52 101.19 131.69 167.80 169.68 193.87 197.15 225.51 237.89 259.32 285.98 311.46 316.68 335.92 353.74 367.81 381.20 425.45 438.23 489.07 495.00 520.28 557.68 565.95 636.93 645.38 648.88 664.32 675.00 694.60 766.89 786.79 797.83 837.12 845.48 881.95 925.47 932.42 936.07 940.15 967.10 990.82 1025.92 1028.26 1063.51 1099.14 1135.02 1142.70 1152.62 1179.70 1192.69 1212.96 1220.47 1245.38 1269.87 1300.02 1328.33 1354.30 1363.45 1383.16 1395.10 1395.88 1438.67 1450.96 1467.07 1480.00 1498.87 1499.82 1514.34 1539.18 1554.58 1569.71 1573.23 1582.96 1588.31 1589.55 1604.03 1641.16 1655.29 1673.60 1691.83 1711.90 1719.33 1730.27 1749.73 1763.84 1784.35 1809.84 1823.14 1857.18 1876.03 1892.37 1901.80 1921.60 1939.42 1945.19 1987.66 2016.94 2033.53 2042.27 2058.82 2105.27 2138.00 2154.11 2174.63 2189.79 2197.67 2203.11 2235.03 2252.69 2253.63 2261.44 2322.60 2329.56 2338.19 2345.21 2350.46 2360.21 2362.81 2370.17 2381.48 2412.13 2426.79 2443.03 2451.03 2486.43 2527.67 2588.28 2598.86 2604.43 2606.57 2662.90 2763.57 4624.11 4627.65 4629.38 4653.57 4678.32 4713.69 4727.06 4728.89 4750.17 4781.94 4786.74 4789.42 4826.25 4866.12 4870.23 4876.63 4911.33 4911.42 4936.35 4949.16 4968.03 4990.48 5020.05 5518.91 5536.11 5538.58 0.502565 0.531896 0.532840 0.436910 -2069.255053 -2069.225722 -2069.224778 -2069.320708 3.217508D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2021 DUDE CCc1cc(c(s1)NC(=O)c2ccco2)[C@@H](c3ccc(cc3)SC)Nc4cc(cc[nH+]4)C C38547868 RHF 6-31G(d) (6D,10F) C1 464.146646 |X|Y|Z| 74.355179 89.915839 61.552654 74.381467 26 6 7 8 16 21 3 1 1 |36.858105| |12.425516|36.858105| |7.485241|12.645210|36.858105| |5.315119|7.431098|14.143506|36.858105| |4.057551|5.009296|8.134396|13.216970|36.858105| |4.041814|4.800824|7.650004|8.258812|14.148295|36.858105| |5.529977|6.728043|10.989626|7.497987|7.428560|10.968029|388.023441| |3.210408|3.595253|4.937216|5.179008|7.682801|13.556290|49.820830|53.358707| |2.702977|3.057387|3.968074|4.207926|5.821966|7.807214|36.597106|19.066801|36.858105| |2.613309|3.045697|3.916095|4.268713|5.763604|6.756456|33.423102|11.467497|15.808433|73.516695| |2.321729|2.533147|3.113042|3.216281|4.104467|5.119701|28.069225|10.864264|12.972905|14.503430|36.858105| |2.013719|2.189950|2.604901|2.690530|3.288524|3.839849|22.420835|7.032789|7.451733|11.392297|14.178363|36.858105| |1.858645|1.974004|2.299098|2.342321|2.786733|3.226455|19.680424|5.722108|5.192587|7.846334|8.596149|13.301190|36.858105| |1.999297|2.092265|2.452407|2.474991|2.960116|3.519143|21.501698|6.449991|5.366940|7.529802|8.807566|8.611534|14.183155|36.858105| |2.310476|2.441904|2.955087|2.990619|3.714377|4.663075|26.988332|9.612226|7.840390|9.595558|14.082908|8.602657|8.616339|14.230028|73.516695| |3.151418|3.689280|5.040886|7.274194|12.565762|7.542024|33.556127|8.446596|5.425982|9.964396|4.010611|3.316594|2.796984|2.912696|6.342302|36.858105| |2.796426|3.240031|4.300859|5.570264|8.988254|7.136267|31.215292|9.440120|6.806922|13.024089|4.827813|3.958552|3.213587|3.284007|7.223346|17.650924|0.500000| |2.934871|3.221893|4.134252|5.457307|7.435859|5.603966|27.864271|6.933579|4.354933|7.435509|3.560385|2.987126|2.636120|2.807092|5.997831|12.511902|0.249816|36.858105| |2.419488|2.610567|3.193905|3.936017|5.016704|4.249945|22.303106|5.802837|3.943031|6.769332|3.438078|2.987841|2.672187|2.807410|5.809512|7.583864|0.202845|13.660707|36.858105| |2.218763|2.322874|2.742658|3.244774|3.854840|3.420506|19.164380|4.710244|3.193079|5.399783|2.929528|2.602127|2.416206|2.563983|5.149876|5.024266|0.133463|7.894032|13.837402|36.858105| |2.346617|2.392414|2.779443|3.237285|3.672440|3.277302|19.115545|4.380415|2.868171|4.793415|2.635030|2.325502|2.193956|2.367219|4.752415|4.401142|0.111182|6.786941|7.909656|13.637835|36.858105| |2.807947|2.836453|3.336234|3.942666|4.371558|3.795643|22.292558|4.816638|3.018417|5.016789|2.691361|2.326808|2.175461|2.369208|4.859188|4.974899|0.117596|7.891652|6.902601|7.960263|13.738090|36.858105| |3.252876|3.418360|4.272810|5.443354|6.379695|5.059440|27.784816|6.022356|3.636881|6.072667|3.075880|2.595006|2.360164|2.560861|5.410764|7.457221|0.157862|13.764037|7.989388|6.901009|7.904306|13.715244|36.858105| |2.002344|2.000913|2.242619|2.512849|2.746127|2.540534|15.558923|3.449677|2.314650|3.883264|2.201798|1.995339|1.930882|2.076332|4.032333|3.125350|0.081710|4.163351|4.761235|7.054068|10.751487|6.785881|4.665303|388.023441| |2.105240|2.041958|2.236354|2.447381|2.575099|2.406501|15.348155|3.198918|2.107733|3.521945|1.998789|1.803097|1.756261|1.905774|3.704250|2.773736|0.071202|3.537181|3.643142|4.612383|6.743921|6.194076|4.274335|74.993862|36.858105| |2.934757|3.504283|4.458904|6.423615|7.697249|5.156029|27.323663|5.887713|4.095887|8.048935|3.207076|2.806345|2.390665|2.427776|5.064946|12.863547|0.255731|7.874433|6.035377|4.356077|3.848649|4.225864|5.721569|20.363041|2.553237|53.358707| |2.714912|3.308716|4.053857|5.392814|5.964877|4.474343|25.174373|5.253098|3.889447|8.165426|3.067470|2.764748|2.324818|2.305806|4.731351|7.605858|0.196283|5.169724|4.458118|3.441455|3.058399|3.263862|4.101108|17.126804|2.171085|19.507481|36.858105| |2.645705|3.260673|4.023254|4.967805|5.699577|4.729045|26.664710|5.723650|4.535436|10.497996|3.471945|3.157308|2.569363|2.498529|5.142085|6.366413|0.189969|4.314922|3.819679|3.004512|2.674694|2.830176|3.487775|15.319314|1.955788|10.707264|13.500569|36.858105| |2.357773|2.874536|3.343265|3.855811|4.121652|3.660090|22.356583|4.580441|3.697637|8.395477|3.006386|2.852145|2.350739|2.245896|4.491304|4.373645|0.129251|3.308978|3.048826|2.510718|2.262238|2.362978|2.800080|13.389751|1.723797|7.114523|7.917631|13.952274|36.858105| |2.177045|2.615321|2.919889|3.354520|3.420773|2.998637|18.920359|3.742617|2.928491|6.253646|2.474007|2.372043|2.015944|1.936920|3.810887|3.684548|0.104384|2.959607|2.773343|2.343564|2.130712|2.211952|2.566268|12.812174|1.655035|6.310748|6.846912|7.882712|13.335045|36.858105| |2.220120|2.648332|2.944339|3.490047|3.493842|2.948397|18.468306|3.623920|2.751447|5.687934|2.329599|2.205920|1.901733|1.852318|3.654204|3.899759|0.106015|3.200041|2.992278|2.532581|2.307818|2.399649|2.783630|13.795566|1.777075|7.260058|7.988596|6.924481|7.991911|14.207975|36.858105| |2.457587|2.944788|3.384716|4.261597|4.326244|3.439630|20.735893|4.130470|3.060581|6.255208|2.535087|2.345344|2.017078|1.991273|3.990252|5.143446|0.133355|4.091255|3.718004|3.045706|2.752803|2.895820|3.460698|15.940251|2.034830|11.300902|14.153258|8.071929|6.997499|8.107229|13.950015|53.358707| |2.415978|2.838982|3.205905|4.039029|4.011767|3.179271|19.388429|3.821777|2.775666|5.498309|2.338541|2.161263|1.888609|1.880102|3.750078|4.817422|0.120740|4.123060|3.778844|3.165035|2.893090|3.041039|3.577854|16.789088|2.143475|10.480302|9.396214|5.827763|5.120099|5.888137|9.366589|25.971428|0.500000| |2.203190|2.651582|3.032394|3.296938|3.537251|3.383078|21.409059|4.407551|3.707275|8.571282|3.099136|3.033195|2.472264|2.312302|4.558838|3.574647|0.108354|2.807507|2.624875|2.209168|2.005142|2.083196|2.424917|12.083827|1.566468|5.274214|5.021664|7.634744|12.676836|7.525387|5.077086|6.137062|0.101312|36.858105| |17.564719|8.771818|6.795236|5.412268|4.154147|3.999359|35.648169|4.340225|2.655314|4.529190|2.289494|1.980877|1.836829|1.986426|4.083732|3.291441|0.079619|3.176733|2.589438|2.400361|2.594840|3.188160|3.675644|15.662327|2.356651|4.149645|2.742726|2.603898|2.293703|2.134209|2.211867|3.385931|0.068979|2.112603|0.500000| |17.568320|8.745335|6.718828|4.742004|3.900627|4.139852|43.076527|4.582604|2.802012|4.719598|2.434368|2.097357|1.951235|2.122323|4.374396|3.020066|0.075971|2.827002|2.356038|2.168071|2.286811|2.710189|3.108129|13.960534|2.062973|3.726098|2.537034|2.521357|2.251378|2.054826|2.069149|3.096965|0.061694|2.142206|0.301510|0.500000| |17.569458|8.814236|5.486182|4.248168|3.348157|3.312008|30.628445|3.712883|2.363095|4.105268|2.064493|1.820706|1.691442|1.805291|3.649071|2.715341|0.067798|2.548256|2.149309|1.993330|2.106521|2.477774|2.798478|13.036606|1.938069|3.533809|2.446786|2.386906|2.174066|2.040040|2.080782|3.084773|0.062187|2.045129|0.301141|0.301914|0.500000| |8.839501|17.557617|9.044602|7.138823|4.671217|4.182130|36.493132|4.361604|2.795150|5.050187|2.328975|2.041873|1.839209|1.929802|3.960181|3.630286|0.087386|3.182307|2.588495|2.308472|2.378822|2.814857|3.376565|14.179558|2.033592|4.954210|3.469199|3.313360|2.946895|2.753297|2.846515|4.321731|0.086091|2.654596|0.210560|0.172696|0.213657|0.500000| |8.840242|17.546299|8.939872|5.813363|4.337804|4.358910|44.742270|4.618981|2.974057|5.330285|2.485811|2.172987|1.956142|2.055833|4.229104|3.286731|0.082878|2.839310|2.361156|2.104195|2.139311|2.475354|2.929407|12.902065|1.838682|4.290663|3.088475|3.157543|2.865666|2.594617|2.566215|3.774913|0.073235|2.719172|0.172935|0.210354|0.213355|0.304084|0.500000| |4.910793|6.657500|8.959161|17.737236|8.579144|5.742204|37.857352|5.587229|3.518914|6.479109|2.790227|2.399120|2.108582|2.205011|4.625715|6.538973|0.137590|5.216816|3.838082|3.211473|3.230821|3.935895|5.317526|17.943207|2.466145|9.376832|5.749772|4.844064|3.840194|3.503854|3.810092|6.523239|0.130537|3.176349|0.143408|0.116519|0.114316|0.208498|0.145095|0.500000| |3.126562|3.344616|4.398053|4.442751|5.995121|9.211921|44.614049|26.002357|9.413516|10.847067|7.674188|4.984047|4.367844|5.322891|15.032965|5.066445|0.151031|4.641741|4.004660|3.401354|3.236820|3.552029|4.266927|18.413663|2.427349|5.005207|3.263893|3.457688|2.862395|2.406938|2.351140|3.615758|0.069483|2.777805|0.087112|0.093106|0.073969|0.082321|0.087496|0.100503|0.500000| |1.926691|2.119915|2.501397|2.604754|3.143560|3.549900|20.932348|6.113888|6.478201|11.616040|8.845631|17.816256|8.449177|5.856404|10.440144|3.220370|0.107574|2.843381|2.859639|2.475423|2.196706|2.190545|2.447853|13.444616|1.703760|3.831532|2.854185|3.343556|3.094286|2.547217|2.326645|3.314259|0.061683|3.387973|0.052455|0.055203|0.048713|0.055457|0.058811|0.065282|0.115618|0.500000| |1.686078|1.782020|2.040860|2.075837|2.419353|2.736267|17.098621|4.633780|4.068358|6.485603|5.852821|8.465588|17.813204|8.818695|10.447929|2.445392|0.077048|2.326424|2.383358|2.190085|1.995593|1.963060|2.101383|12.719756|1.629667|2.913759|2.100592|2.309450|2.153538|1.873072|1.765654|2.521930|0.048368|2.280349|0.046280|0.049018|0.043008|0.046429|0.049241|0.052566|0.097534|0.192836|0.500000| |1.925932|1.980196|2.286566|2.287974|2.681214|3.148326|19.853825|5.523614|4.282537|6.185833|6.044610|5.822087|8.611576|17.835654|16.537062|2.626417|0.080253|2.595299|2.601855|2.438456|2.292522|2.290211|2.426763|14.580489|1.902606|3.007616|2.085568|2.222723|2.009634|1.759636|1.696863|2.481546|0.048253|2.054469|0.053387|0.057102|0.048515|0.050726|0.053929|0.057014|0.130060|0.123139|0.195311|0.500000| |2.236567|2.443716|2.973909|3.617054|4.637298|4.031609|21.120153|5.708363|4.148183|7.350393|3.647878|3.243958|2.845689|2.910025|5.950240|7.068457|0.220535|8.882370|17.694205|8.988170|5.641133|4.965680|5.662221|28.113836|3.075510|8.130511|4.707528|4.138093|3.304018|2.974749|3.170398|5.301244|0.107288|2.841984|0.065329|0.060734|0.055623|0.067319|0.062471|0.097580|0.107147|0.087791|0.070631|0.073689|0.500000| |1.973761|2.061107|2.393498|2.772934|3.242723|2.953892|16.910279|4.158922|2.914387|4.966394|2.757145|2.515032|2.365283|2.479266|4.850287|4.108354|0.114107|5.631890|8.964103|17.722025|8.883690|5.653406|4.967002|48.437703|4.241269|5.051490|3.080362|2.741934|2.345251|2.208660|2.372679|3.795997|0.080298|2.087854|0.058737|0.053812|0.049790|0.056955|0.052535|0.076381|0.083877|0.066890|0.060319|0.065793|0.217668|0.500000| |2.887930|2.820246|3.210954|3.657257|3.838357|3.421308|21.239044|4.300970|2.691428|4.470411|2.428734|2.114491|2.000918|2.187981|4.441149|4.074813|0.097552|5.650768|4.971735|5.642719|8.881584|17.767658|8.978076|45.132837|7.318867|4.874838|2.868418|2.521289|2.144994|2.025377|2.190618|3.535177|0.075937|1.910862|0.093110|0.077287|0.071225|0.077812|0.067995|0.102238|0.089411|0.055276|0.050485|0.059466|0.107812|0.123866|0.500000| |3.964216|4.138424|5.272109|6.802792|7.143522|5.540868|32.146137|6.088927|3.568830|5.968220|2.974219|2.496300|2.269170|2.469895|5.244039|6.856385|0.142668|8.906905|5.657556|4.968114|5.650411|8.970221|17.732544|27.476640|3.820116|7.400316|4.020923|3.465330|2.796688|2.559493|2.761834|4.632968|0.097066|2.432568|0.128696|0.103302|0.092156|0.112891|0.094884|0.182559|0.119527|0.065443|0.056125|0.065191|0.124042|0.107789|0.219118|0.500000| |1.897996|1.836604|1.987255|2.149014|2.249208|2.125367|13.725768|2.850257|1.903914|3.192961|1.828081|1.668897|1.639695|1.771539|3.394596|2.408500|0.062728|2.970923|3.099860|3.847981|5.086150|4.596658|3.444973|57.860006|17.612563|3.056410|1.946422|1.769500|1.578532|1.523548|1.629822|2.508088|0.053822|1.445028|0.058450|0.051850|0.049043|0.050846|0.046386|0.060170|0.060154|0.043923|0.042616|0.049432|0.074974|0.103042|0.144018|0.087222|0.500000| |2.239917|2.142560|2.354834|2.542103|2.683638|2.553445|16.399332|3.407712|2.209897|3.641104|2.102512|1.877999|1.839793|2.023996|3.956782|2.821783|0.072472|3.578931|3.580192|4.373099|6.268874|6.323144|4.425800|55.915960|17.615960|3.448180|2.153092|1.962479|1.723977|1.639135|1.744168|2.712690|0.057699|1.577482|0.070010|0.061635|0.056878|0.058535|0.053452|0.070006|0.073002|0.048844|0.047195|0.056535|0.083812|0.109541|0.219253|0.112215|0.301097|0.500000| |2.204864|2.134416|2.313923|2.547455|2.619145|2.403839|15.488210|3.125612|2.055018|3.469611|1.922050|1.733129|1.672794|1.803243|3.521565|2.806777|0.070783|3.549885|3.541596|4.318010|6.207256|6.310024|4.403752|55.853689|17.616367|3.592431|2.236967|1.989881|1.754726|1.698129|1.840489|2.881916|0.062631|1.582378|0.069301|0.059211|0.056591|0.059735|0.052993|0.072596|0.065100|0.045782|0.043110|0.049687|0.082898|0.108049|0.222558|0.111901|0.301236|0.297940|0.500000| |2.836815|3.297620|4.017725|5.610970|6.101828|4.317646|24.163420|5.023529|3.451071|6.563692|2.816976|2.495908|2.175726|2.221837|4.566647|9.032405|0.186723|7.793687|6.174303|4.658103|4.194462|4.619489|6.100350|22.001159|2.749791|26.015213|9.491657|5.763792|4.317071|4.117031|4.980056|10.538161|0.238397|3.299519|0.083503|0.072765|0.070408|0.097087|0.081498|0.179806|0.090506|0.069198|0.054645|0.056939|0.160693|0.109009|0.108242|0.157107|0.066765|0.074543|0.080273|0.500000| |2.767193|3.403391|4.381766|5.310312|6.741484|5.923471|31.099309|7.294382|6.046459|15.533902|4.273275|3.761853|2.960713|2.883236|6.093880|7.111512|0.233834|4.583823|3.993458|3.099742|2.753388|2.927643|3.654134|15.644723|1.997806|9.653795|8.867766|17.787494|8.979120|5.608569|4.984260|7.791220|0.127310|7.038634|0.075225|0.074581|0.068375|0.092769|0.091846|0.133192|0.116437|0.110052|0.072472|0.070067|0.120191|0.078105|0.072155|0.101027|0.050077|0.056303|0.055942|0.144065|0.500000| |1.993661|2.364239|2.576635|2.870479|2.897540|2.612788|16.918504|3.309953|2.600767|5.475210|2.251579|2.194093|1.884483|1.799602|3.493305|3.059065|0.087010|2.538640|2.410297|2.080386|1.905965|1.967526|2.242557|11.665459|1.515751|5.005285|4.942278|5.618648|8.723824|17.765439|9.086092|7.800929|0.128393|6.935391|0.054018|0.052505|0.052489|0.068971|0.066024|0.082781|0.059944|0.065818|0.049135|0.045613|0.071582|0.055039|0.050529|0.062260|0.039038|0.041696|0.043140|0.093240|0.123346|0.500000| |2.060846|2.415964|2.616208|3.042583|2.992878|2.561205|16.381037|3.171975|2.387984|4.824768|2.064800|1.969399|1.724271|1.682872|3.286354|3.307696|0.089153|2.844456|2.699981|2.347635|2.162829|2.235271|2.535828|13.166848|1.705144|5.947285|5.757429|4.988241|5.620294|8.924388|17.779104|12.550694|0.230717|4.087441|0.057275|0.053209|0.054294|0.072751|0.065056|0.093280|0.058098|0.057464|0.044820|0.043177|0.078678|0.061671|0.057267|0.069878|0.043708|0.046199|0.049290|0.119883|0.108229|0.213218|0.500000| |1.960231|2.306305|2.599319|2.816643|3.035057|2.919964|18.487714|3.907750|3.312414|7.447272|2.887849|2.917558|2.401810|2.212587|4.273138|3.153005|0.096371|2.565189|2.464874|2.101116|1.895659|1.940266|2.219298|11.567504|1.490964|4.647475|4.307038|5.913152|8.928340|6.816493|4.690868|5.513852|0.093207|17.558311|0.052576|0.053132|0.050909|0.064273|0.065405|0.076131|0.069713|0.092208|0.062469|0.054738|0.075018|0.055941|0.049474|0.061127|0.038424|0.041534|0.041706|0.082801|0.151702|0.193309|0.108960|0.500000| |2.226817|2.699453|2.998264|3.168424|3.256774|3.139975|20.882501|4.015557|3.277138|7.243453|2.776916|2.707133|2.256063|2.130576|4.179053|3.173226|0.093115|2.540127|2.351992|2.011816|1.856528|1.944833|2.250447|11.292501|1.482947|4.676569|4.331590|5.981792|8.936306|6.725962|4.661815|5.514860|0.093173|17.551211|0.058616|0.059961|0.058017|0.075430|0.078492|0.085378|0.071275|0.082600|0.058166|0.053141|0.069400|0.052748|0.050134|0.063607|0.038104|0.041554|0.041775|0.083050|0.154290|0.188542|0.108121|0.302272|0.500000| 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