Version2.1 2021-01-14T16:03:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 03-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)Nc4cccc([nH+]4)C C38547874 RHF 6-31G(d) (6D,7F) CCc1cc(c(s1)NC(=O)c2ccco2)[C@H](c3ccc(cc3)SC)Nc4cccc([nH+]4)C C01[X(C25H26N3O2S2)] 168 C1 540 CCc1sc(c(c1)[C@H](c1ccc(cc1)SC)Nc1cccc([nH+]1)C)NC(=O)c1ccco1 CCc1sc(c(c1)[C@H](c1ccc(cc1)SC)Nc1cccc([nH+]1)C)NC(=O)c1ccco1 CCc1sc(NC(=O)c2occc2)c(c1)[C@@H](Nc3cccc(C)[nH+]3)c4ccc(SC)cc4 InChIKey=XOSNSRJQRRLSTI-QHCPKHFHSA-O InChI=1S/C25H25N3O2S2/c1-4-18-15-20(25(32-18)28-24(29)21-8-6-14-30-21)23(17-10-12-19(31-3)13-11-17)27-22-9-5-7-16(2)26-22/h5-15,23H,4H2,1-3H3,(H,26,27)(H,28,29)/p+1/t23-/m0/s1 InChI=1/C25H25N3O2S2/c1-4-18-15-20(25(32-18)28-24(29)21-8-6-14-30-21)23(17-10-12-19(31-3)13-11-17)27-22-9-5-7-16(2)26-22/h5-15,23H,4H2,1-3H3,(H,26,27)(H,28,29)/p+1/t23-/m0/s1/fC25H26N3O2S2/h26-28H/q+1 CCc1cc(c(s1)NC(=O)c2ccco2)[C@H](c3ccc(cc3)SC)Nc4cccc([nH+]4)C C01[X(C25H26N3O2S2)] 168 C01 540 CCc1sc(c(c1)[C@H](c1ccc(cc1)SC)Nc1cccc([nH+]1)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][CH][CH]=C(N1)C CCc1sc(NC(=O)c2occc2)c(c1)[C@@H](N[C]3[CH][CH]C=C(C)N3)[C]4[CH][CH][C]([CH][CH]4)SC InChIKey=DQPHZRLYMDPEKM-QHCPKHFHSA-N InChI=1S/C25H26N3O2S2/c1-4-18-15-20(25(32-18)28-24(29)21-8-6-14-30-21)23(17-10-12-19(31-3)13-11-17)27-22-9-5-7-16(2)26-22/h5-15,23,26-27H,4H2,1-3H3,(H,28,29)/t23-/m0/s1 InChI=1/C25H26N3O2S2/c1-4-18-15-20(25(32-18)28-24(29)21-8-6-14-30-21)23(17-10-12-19(31-3)13-11-17)27-22-9-5-7-16(2)26-22/h5-15,23,26-27H,4H2,1-3H3,(H,28,29)/t23-/m0/s1/f/h28H 3461.4387235867 -2069.7582754 1-A 17909.5836 122 418 540 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7 1 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 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 17953.7725 20616.7459 26104.4727 0.99867 -0.05139 0.00497 0.05135 0.99865 0.00727 -0.00534 -0.00700 0.99996 1 0.00482 0.00420 0.00332 0.10052 0.08754 0.06914 25.12 28.25 35.01 43.31 47.03 56.44 60.70 67.60 73.93 80.85 106.79 130.12 169.68 185.35 198.25 208.68 225.85 250.77 258.46 287.18 306.22 322.56 331.06 342.16 369.02 384.64 404.36 427.89 474.24 500.01 528.68 556.62 578.42 629.04 644.22 652.50 667.17 678.06 712.87 748.11 791.70 814.05 821.93 850.35 890.40 928.99 932.39 936.15 946.26 967.41 990.43 1025.24 1027.69 1085.66 1097.23 1134.01 1141.12 1152.35 1188.89 1191.84 1207.50 1217.77 1241.74 1269.70 1308.33 1329.87 1354.56 1363.69 1380.12 1395.57 1395.83 1435.08 1438.88 1457.54 1470.44 1484.09 1499.01 1507.86 1553.60 1559.40 1571.04 1576.18 1588.40 1589.44 1604.01 1609.18 1655.92 1681.46 1695.94 1709.14 1713.55 1719.53 1730.02 1736.92 1749.48 1763.52 1810.03 1823.29 1856.80 1866.99 1891.68 1901.43 1912.32 1921.82 1944.39 1987.72 2001.50 2033.39 2042.59 2061.59 2108.49 2137.25 2154.84 2176.04 2189.62 2194.42 2209.95 2235.10 2253.96 2261.11 2267.04 2272.83 2329.54 2332.70 2343.68 2347.63 2350.54 2360.55 2369.37 2382.41 2412.24 2441.51 2450.80 2456.29 2504.56 2527.64 2588.63 2600.04 2604.95 2624.17 2650.93 2765.80 4623.02 4625.74 4629.66 4653.59 4678.25 4712.43 4725.33 4727.69 4761.02 4781.91 4786.74 4795.34 4826.66 4866.00 4869.51 4875.69 4893.34 4911.24 4928.68 4936.95 4967.91 4990.45 5019.91 5497.03 5533.12 5539.61 0.502561 0.531846 0.532790 0.437072 -2069.255714 -2069.226429 -2069.225485 -2069.321204 3.210431D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE CCc1cc(c(s1)NC(=O)c2ccco2)[C@H](c3ccc(cc3)SC)Nc4cccc([nH+]4)C C38547874 RHF 6-31G(d) (6D,10F) C1 464.146646 |X|Y|Z| 88.942954 80.032685 59.945319 75.285511 26 6 7 8 16 21 3 1 1 |36.858105| |12.426681|36.858105| |7.482126|12.646493|36.858105| |5.295481|7.431153|14.146580|36.858105| |4.036529|5.008273|8.131574|13.214023|36.858105| |4.026581|4.800199|7.648051|8.259321|14.146320|36.858105| |5.548499|6.727499|10.987364|7.499374|7.427474|10.967127|388.023441| |3.196301|3.596283|4.938498|5.179136|7.678779|13.563913|49.876835|53.358707| |2.843962|3.049530|3.958288|4.213104|5.853414|7.803618|36.340302|19.063388|36.858105| |2.888523|3.029576|3.896630|4.278685|5.824870|6.749864|33.020662|11.466230|15.812564|73.516695| |2.393494|2.529745|3.109435|3.218317|4.113404|5.119523|27.980401|10.864719|12.973188|14.505811|36.858105| |2.109774|2.185630|2.600800|2.692825|3.297609|3.839627|22.330912|7.033181|7.452835|11.395719|14.178913|36.858105| |1.900916|1.972401|2.297653|2.343253|2.789800|3.226600|19.649409|5.722302|5.192906|7.847713|8.596629|13.300589|36.858105| |1.987549|2.093168|2.453169|2.474883|2.959028|3.519610|21.520829|6.449957|5.366818|7.530503|8.807686|8.611077|14.183491|36.858105| |2.284261|2.443476|2.956577|2.990275|3.711753|4.664020|27.030082|9.612319|7.839684|9.596060|14.082498|8.602070|8.616217|14.229243|73.516695| |3.129873|3.689079|5.040328|7.273945|12.565563|7.539597|33.551073|8.434461|5.486295|10.214227|4.029164|3.337980|2.803462|2.909098|6.329508|36.858105| |2.866161|3.240801|4.300529|5.573913|8.987454|7.118923|31.181140|9.386625|6.904748|13.572980|4.848409|3.988467|3.218548|3.272967|7.187606|17.659550|0.500000| |2.693857|3.219373|4.133240|5.450161|7.436595|5.616716|27.899216|6.952036|4.416779|7.611953|3.590658|3.017878|2.650075|2.809017|5.999111|12.512779|0.249695|36.858105| |2.263273|2.609185|3.193937|3.932828|5.019120|4.260049|22.336497|5.821885|4.007616|6.952051|3.477415|3.031209|2.693493|2.812153|5.816075|7.583286|0.202891|13.661986|36.858105| |2.018250|2.321190|2.742580|3.241778|3.856086|3.428554|19.196810|4.727301|3.238107|5.517256|2.962430|2.639754|2.437795|2.570914|5.160893|5.024080|0.133448|7.894331|13.836063|36.858105| |2.041325|2.389840|2.778980|3.233450|3.672897|3.284864|19.149660|4.396309|2.901736|4.876329|2.659974|2.353040|2.210850|2.373631|4.763257|4.401379|0.111144|6.787268|7.909567|13.638961|36.858105| |2.340132|2.832286|3.334948|3.936337|4.370938|3.804213|22.331702|4.833095|3.049258|5.092068|2.712182|2.348496|2.188278|2.373923|4.867582|4.975437|0.117527|7.891592|6.902195|7.960032|13.737098|36.858105| |2.751173|3.413288|4.270410|5.432181|6.376905|5.070771|27.826509|6.040299|3.674882|6.170284|3.097091|2.616216|2.371149|2.563595|5.415080|7.458528|0.157736|13.762708|7.989069|6.901019|7.904570|13.716246|36.858105| |1.740430|1.998850|2.242308|2.510363|2.746370|2.545430|15.584621|3.460659|2.337523|3.939459|2.220929|2.017905|1.946129|2.082710|4.042497|3.125408|0.081685|4.163380|4.760982|7.053827|10.750917|6.785885|4.665405|388.023441| |1.757798|2.039383|2.236123|2.444695|2.575453|2.411786|15.379581|3.210440|2.125750|3.563357|2.014307|1.820411|1.768927|1.912832|3.716442|2.773919|0.071186|3.537308|3.643248|4.612714|6.743824|6.193814|4.274427|74.992524|36.858105| |3.053526|3.507030|4.460491|6.431916|7.696380|5.148844|27.304038|5.872310|4.115225|8.169995|3.211831|2.815878|2.391887|2.422513|5.050862|12.857097|0.255813|7.875462|6.025152|4.352528|3.849494|4.230666|5.732092|20.366230|2.553931|53.358707| |3.044821|3.311672|4.053096|5.400484|5.961015|4.460788|25.118502|5.229518|3.889765|8.230094|3.062728|2.765209|2.321103|2.297947|4.712334|7.606100|0.196475|5.172214|4.455560|3.440846|3.059939|3.267377|4.106747|17.134022|2.171997|19.523014|36.858105| |3.133752|3.258447|4.012392|4.962786|5.677568|4.694332|26.510696|5.672165|4.504636|10.473316|3.450682|3.144015|2.557730|2.484415|5.107625|6.351455|0.189785|4.310295|3.816807|3.003099|2.673709|2.828877|3.485171|15.315906|1.955105|10.691065|13.491009|36.858105| |2.890161|2.874504|3.335176|3.859214|4.110723|3.629362|22.182645|4.528061|3.646274|8.252340|2.968577|2.817049|2.326106|2.223593|4.443525|4.374460|0.129104|3.313119|3.052418|2.514238|2.265935|2.367036|2.804560|13.410864|1.726201|7.152078|8.004628|14.006158|36.858105| |2.631590|2.614962|2.913107|3.352965|3.409969|2.979335|18.809278|3.710999|2.901577|6.193581|2.451962|2.351464|1.999927|1.921823|3.779726|3.676935|0.104104|2.957714|2.770568|2.342802|2.131525|2.213489|2.567301|12.819545|1.656040|6.309262|6.839269|7.834899|13.450559|36.858105| |2.583864|2.645208|2.933782|3.481218|3.475026|2.926269|18.349715|3.591425|2.728622|5.648884|2.310472|2.189682|1.887821|1.837820|3.623650|3.880239|0.105402|3.192262|2.983350|2.528527|2.307161|2.400251|2.782518|13.798432|1.777843|7.227095|7.900628|6.830628|8.008442|14.116586|36.858105| |2.765295|2.949585|3.386297|4.269260|4.325213|3.432098|20.702570|4.115383|3.058462|6.282080|2.530146|2.343711|2.012880|1.984311|3.974923|5.142666|0.133354|4.092980|3.713944|3.044184|2.754606|2.900469|3.467262|15.949722|2.036320|11.305814|14.133405|8.071551|7.109318|8.153447|13.893485|53.358707| |2.622609|2.849246|3.216281|4.059222|4.025775|3.183447|19.414132|3.820642|2.783232|5.540715|2.340600|2.165278|1.888740|1.877398|3.744586|4.837202|0.121123|4.140885|3.784906|3.170649|2.902681|3.056205|3.599206|16.833471|2.149489|10.552334|9.430982|5.835853|5.178260|5.907087|9.379555|25.947185|0.500000| |2.280515|2.327594|2.494187|2.883067|2.817222|2.419480|15.588306|3.000973|2.254332|4.526681|1.962189|1.876700|1.651695|1.612752|3.137767|3.102522|0.083397|2.714297|2.587120|2.274672|2.107919|2.175270|2.446002|12.930944|1.678961|5.500522|5.116382|4.447702|5.005454|7.512761|12.699255|10.643756|0.209531|36.858105| |17.562736|8.771552|6.794229|5.379507|4.119193|3.977347|35.834089|4.310014|2.896428|5.392226|2.410974|2.144489|1.908047|1.967214|4.007642|3.252314|0.083179|2.724308|2.298753|2.027629|2.022307|2.293707|2.713456|12.215439|1.711725|4.462360|3.387957|3.544911|3.324422|3.022730|2.931299|4.211896|0.080167|2.552391|0.500000| |17.567190|8.744733|6.712719|4.724191|3.877758|4.119483|43.254820|4.555900|2.982782|5.317965|2.528871|2.222360|2.006952|2.106007|4.309749|2.997319|0.078005|2.582638|2.192729|1.957239|1.969533|2.237275|2.612986|11.994736|1.698462|3.873634|2.841873|3.005849|2.782301|2.489628|2.401138|3.471684|0.066711|2.111409|0.301580|0.500000| |17.568838|8.813729|5.484876|4.238884|3.336807|3.303692|30.681560|3.701505|2.450056|4.410909|2.111524|1.886685|1.721296|1.797025|3.617836|2.702262|0.069033|2.391151|2.041331|1.848980|1.884415|2.148599|2.469985|11.607415|1.665063|3.641010|2.671014|2.711933|2.552613|2.383988|2.359724|3.392101|0.066527|2.133581|0.301070|0.301938|0.500000| |8.838005|17.557426|9.043945|7.142700|4.673839|4.183427|36.473279|4.364713|2.770295|4.957880|2.317188|2.026176|1.832651|1.931799|3.967656|3.634235|0.087060|3.226704|2.614862|2.341474|2.429645|2.896793|3.471885|14.473915|2.087466|4.920712|3.398423|3.216745|2.853518|2.667477|2.767791|4.233909|0.085090|2.470618|0.210361|0.172673|0.213716|0.500000| |8.841305|17.546311|8.946511|5.830711|4.353658|4.371152|44.628463|4.637043|2.854302|4.915491|2.427084|2.095846|1.923120|2.066285|4.269067|3.302504|0.081489|3.009601|2.469485|2.240828|2.345536|2.793424|3.280568|14.138081|2.066886|4.179066|2.858602|2.807752|2.495660|2.285682|2.315121|3.495149|0.069683|2.069254|0.172934|0.210462|0.213244|0.304146|0.500000| |4.888708|6.658647|8.962009|17.736748|8.578769|5.742463|37.862390|5.586711|3.525315|6.503837|2.792834|2.402375|2.109814|2.204614|4.624325|6.539841|0.137737|5.207417|3.832122|3.206072|3.224769|3.927433|5.304943|17.914685|2.461647|9.401141|5.769426|4.849389|3.858759|3.512340|3.812162|6.549732|0.131506|3.195143|0.142225|0.116044|0.113992|0.208759|0.145606|0.500000| |2.967741|3.353446|4.408938|4.437628|5.965222|9.218272|45.037021|26.003592|9.415559|10.848426|7.677974|4.985698|4.369103|5.324401|15.040619|5.020958|0.149012|4.606612|3.978265|3.384711|3.224031|3.537768|4.243361|18.362687|2.424755|4.972190|3.243285|3.427926|2.833626|2.387841|2.330022|3.597014|0.069310|1.988983|0.079943|0.087044|0.071325|0.083022|0.091338|0.100331|0.500000| |2.065199|2.113618|2.495622|2.608099|3.156428|3.549616|20.814273|6.114666|6.480024|11.621752|8.846335|17.816014|8.448076|5.856046|10.439873|3.252756|0.109018|2.882944|2.915352|2.521851|2.229602|2.216311|2.473847|13.635954|1.723545|3.857048|2.862300|3.336234|3.054365|2.525168|2.311686|3.318914|0.061925|1.969573|0.059093|0.060102|0.051391|0.054812|0.055731|0.065420|0.115655|0.500000| |1.729124|1.780409|2.039484|2.076690|2.422056|2.736352|17.070751|4.633907|4.068592|6.486649|5.853035|8.465442|17.813123|8.818927|10.447837|2.451352|0.077196|2.338567|2.402303|2.210003|2.011248|1.974670|2.111065|12.825383|1.641880|2.916143|2.098132|2.300759|2.132688|1.859066|1.753708|2.517541|0.048377|1.550240|0.048296|0.050584|0.043876|0.046244|0.048315|0.052599|0.097557|0.192808|0.500000| |1.877418|1.982758|2.288721|2.287224|2.677849|3.148878|19.904173|5.523496|4.282366|6.186202|6.044642|5.821875|8.611618|17.835634|16.536696|2.617886|0.079806|2.588683|2.594895|2.433649|2.289455|2.287328|2.422522|14.567780|1.903892|2.996905|2.076960|2.210244|1.991669|1.746791|1.683831|2.471343|0.048140|1.493964|0.051173|0.055251|0.047555|0.050937|0.055036|0.056975|0.130085|0.123132|0.195314|0.500000| |2.170721|2.443225|2.974386|3.615584|4.640432|4.039875|21.147691|5.723438|4.221904|7.584272|3.693358|3.298561|2.870513|2.914189|5.954564|7.067284|0.220798|8.882964|17.694480|8.987333|5.641056|4.965494|5.662112|28.112103|3.075622|8.104124|4.699007|4.134500|3.305946|2.968419|3.154951|5.286121|0.107196|2.698571|0.061952|0.058792|0.054345|0.067606|0.063747|0.097468|0.106442|0.089870|0.071252|0.073457|0.500000| |1.823350|2.059920|2.393615|2.770917|3.243933|2.960299|16.937998|4.173115|2.954352|5.072336|2.789403|2.554798|2.389237|2.487171|4.862194|4.108089|0.114114|5.632038|8.963625|17.721925|8.884105|5.653296|4.967006|48.435496|4.241692|5.045565|3.078678|2.740861|2.348113|2.207410|2.368159|3.791734|0.080336|2.157476|0.051040|0.049359|0.046703|0.057617|0.055363|0.076268|0.083523|0.068273|0.060956|0.065671|0.217645|0.500000| |2.308704|2.815230|3.209320|3.651225|3.837310|3.427893|21.274392|4.314110|2.713653|4.523656|2.444479|2.131011|2.011218|2.192232|4.448844|4.075226|0.097495|5.650629|4.971512|5.642637|8.881107|17.767513|8.978210|45.134352|7.317852|4.881487|2.871984|2.520319|2.148691|2.027421|2.192604|3.542250|0.076337|2.015806|0.062065|0.061138|0.059586|0.080570|0.078764|0.102029|0.089151|0.055816|0.050748|0.059417|0.107809|0.123865|0.500000| |3.165672|4.129820|5.266658|6.783702|7.136151|5.549468|32.182202|6.101611|3.594805|6.036033|2.987893|2.509932|2.276028|2.471173|5.245692|6.858383|0.142553|8.906554|5.657478|4.968055|5.650302|8.970035|17.731630|27.476410|3.820024|7.420852|4.028604|3.462617|2.800969|2.561248|2.762267|4.645740|0.097749|2.427997|0.085329|0.082410|0.078360|0.117449|0.110639|0.182134|0.118982|0.065914|0.056294|0.065096|0.124043|0.107788|0.219104|0.500000| |1.602404|1.834488|1.987138|2.146931|2.249567|2.129749|13.752863|2.860012|1.919238|3.228193|1.841888|1.684743|1.651737|1.778447|3.406131|2.408639|0.062717|2.971032|3.099964|3.848249|5.086111|4.596513|3.445037|57.858267|17.612506|3.056869|1.947022|1.768951|1.580602|1.524410|1.630507|2.509464|0.053947|1.553088|0.043387|0.043149|0.042429|0.052087|0.051748|0.060069|0.060111|0.044427|0.042946|0.049481|0.074977|0.103053|0.144004|0.087221|0.500000| |1.823120|2.130738|2.312664|2.543290|2.618207|2.407824|15.512846|3.134685|2.070290|3.506312|1.934678|1.747384|1.682875|1.808524|3.530584|2.805680|0.070743|3.547964|3.539020|4.314449|6.202689|6.308800|4.402330|55.848830|17.616448|3.592290|2.237335|1.988649|1.757452|1.699336|1.841733|2.883772|0.062809|1.750612|0.049328|0.048465|0.048161|0.061431|0.059887|0.072418|0.065012|0.046246|0.043381|0.049705|0.082840|0.107958|0.222777|0.111884|0.301243|0.500000| |1.832396|2.140444|2.355642|2.540391|2.685400|2.560975|16.444807|3.423374|2.230085|3.684050|2.120307|1.896731|1.854128|2.033311|3.973815|2.823372|0.072481|3.581224|3.583159|4.377502|6.273509|6.323874|4.427504|55.919567|17.615974|3.450698|2.154714|1.962151|1.726016|1.640030|1.744708|2.715472|0.057882|1.633859|0.049135|0.049463|0.048104|0.060244|0.060946|0.069909|0.073000|0.049411|0.047569|0.056627|0.083881|0.109658|0.218963|0.112227|0.301087|0.297948|0.500000| |2.843712|3.302895|4.023936|5.622924|6.108349|4.319028|24.180999|5.019023|3.469731|6.653103|2.823728|2.506169|2.178350|2.218496|4.558028|9.031371|0.186644|7.794219|6.152430|4.648783|4.195099|4.629678|6.122622|22.002697|2.751144|26.013305|9.494009|5.758665|4.343235|4.122576|4.974597|10.546897|0.240545|4.061350|0.083795|0.072901|0.070569|0.097237|0.081551|0.180401|0.090036|0.069694|0.054724|0.056762|0.159771|0.108723|0.108538|0.157964|0.066782|0.080297|0.074622|0.500000| |3.244273|3.389634|4.349385|5.271967|6.657682|5.833203|30.773139|7.180640|5.976883|15.468786|4.239790|3.747039|2.947721|2.864912|6.041985|7.039498|0.232046|4.556564|3.979053|3.090830|2.744465|2.915479|3.633978|15.605961|1.992458|9.578009|8.824650|17.781705|8.956161|5.588319|4.934952|7.775114|0.127237|3.558245|0.100087|0.088656|0.076790|0.090031|0.081738|0.132567|0.114908|0.109993|0.072242|0.069626|0.119909|0.077947|0.071869|0.100416|0.049960|0.055769|0.056159|0.143261|0.500000| |2.810690|2.723915|3.126807|3.464083|3.707777|3.458235|21.638938|4.438610|3.681392|8.461472|3.047995|2.951141|2.416314|2.277039|4.509936|3.799137|0.114669|2.949484|2.746891|2.296516|2.079272|2.163265|2.531450|12.463997|1.612033|5.745823|5.678805|9.076030|17.732734|8.844377|5.694522|6.907349|0.111331|4.069285|0.089582|0.076847|0.069066|0.073738|0.066311|0.093630|0.077518|0.090613|0.061786|0.056357|0.082703|0.060094|0.054946|0.070452|0.041218|0.045325|0.045008|0.098972|0.217163|0.500000| |2.426783|2.365007|2.572605|2.870735|2.891653|2.599765|16.837423|3.287000|2.579618|5.425164|2.233309|2.175595|1.870169|1.786879|3.468219|3.055349|0.086882|2.537761|2.408565|2.079871|1.906632|1.968800|2.243566|11.671243|1.516544|5.004721|4.939251|5.608716|8.771923|17.779012|9.048659|7.815612|0.128384|6.849914|0.077223|0.064222|0.061946|0.066843|0.058006|0.082969|0.059559|0.065226|0.048774|0.045316|0.071467|0.055012|0.050576|0.062305|0.039056|0.043165|0.041717|0.093307|0.123350|0.212501|0.500000| |2.382362|2.441471|2.566309|2.959477|2.798815|2.387618|15.662362|2.917893|2.152021|4.257116|1.871113|1.774177|1.573254|1.550517|3.024784|3.016501|0.079108|2.671160|2.502677|2.223370|2.099283|2.195936|2.465709|12.910777|1.699604|5.330187|4.728550|4.015459|4.319614|5.884338|8.898313|9.478930|0.204996|17.551405|0.074139|0.060385|0.062473|0.073361|0.060100|0.093409|0.054016|0.051200|0.040966|0.040120|0.070976|0.058114|0.057111|0.068934|0.043626|0.049666|0.045920|0.112215|0.091374|0.099552|0.150019|0.500000| |2.076240|2.146956|2.313651|2.682449|2.672572|2.300370|14.643488|2.892760|2.176485|4.332415|1.915193|1.840417|1.628412|1.588609|3.075143|3.024131|0.081730|2.723454|2.662897|2.364510|2.172423|2.205438|2.443727|13.413680|1.721872|5.333672|4.729822|4.016430|4.322116|5.887184|8.899381|9.476882|0.205149|17.551456|0.063478|0.053750|0.054104|0.063159|0.053678|0.082130|0.053599|0.053604|0.042589|0.040963|0.077691|0.062946|0.056517|0.066278|0.044352|0.049842|0.046163|0.112567|0.091426|0.099626|0.150108|0.300623|0.500000| 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