Version2.0 2020-02-02T11:30:34Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 14-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc2c(cc1Cl)c(c(o2)C(=O)Oc3ccc4c(c3)OC(=C([C@@H]4c5ccc(cc5)SC)C#N)N)C C38700720 RHF 6-31G(d) (6D,7F) Cc1cc2c(cc1Cl)c(c(o2)C(=O)Oc3ccc4c(c3)OC(=C([C@@H]4c5ccc(cc5)SC)C#N)N)C C01[X(C28H21Cl1N2O4S1)] 165 C1 590 CSc1ccc(cc1)[C@H]1C(=C(N)Oc2c1ccc(c2)OC(=O)c1oc2c(c1C)cc(c(c2)C)Cl)C#N CSc1ccc(cc1)[C@H]1C(=C(N)Oc2c1ccc(c2)OC(=O)c1oc2c(c1C)cc(c(c2)C)Cl)C#N CSc1ccc(cc1)[C@@H]2c3ccc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)cc3OC(=C2C#N)N InChIKey=YMLNSPVEGPIZNY-RUZDIDTESA-N InChI=1S/C28H21ClN2O4S/c1-14-10-23-20(12-22(14)29)15(2)26(34-23)28(32)33-17-6-9-19-24(11-17)35-27(31)21(13-30)25(19)16-4-7-18(36-3)8-5-16/h4-12,25H,31H2,1-3H3/t25-/m1/s1 InChI=1/C28H21ClN2O4S/c1-14-10-23-20(12-22(14)29)15(2)26(34-23)28(32)33-17-6-9-19-24(11-17)35-27(31)21(13-30)25(19)16-4-7-18(36-3)8-5-16/h4-12,25H,31H2,1-3H3/t25-/m1/s1 Cc1cc2c(cc1Cl)c(c(o2)C(=O)Oc3ccc4c(c3)OC(=C([C@@H]4c5ccc(cc5)SC)C#N)N)C C01[X(C28H21Cl1N2O4S1)] 165 C01 590 CSc1ccc(cc1)[C@H]1C(=C(N)Oc2c1ccc(c2)OC(=O)c1oc2c(c1C)cc(c(c2)C)Cl)C#N CSc1ccc(cc1)[C@H]1C(=C(N)Oc2c1ccc(c2)OC(=O)c1oc2c(c1C)cc(c(c2)C)Cl)C#N CSc1ccc(cc1)[C@@H]2c3ccc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)cc3OC(=C2C#N)N InChIKey=YMLNSPVEGPIZNY-RUZDIDTESA-N InChI=1S/C28H21ClN2O4S/c1-14-10-23-20(12-22(14)29)15(2)26(34-23)28(32)33-17-6-9-19-24(11-17)35-27(31)21(13-30)25(19)16-4-7-18(36-3)8-5-16/h4-12,25H,31H2,1-3H3/t25-/m1/s1 InChI=1/C28H21ClN2O4S/c1-14-10-23-20(12-22(14)29)15(2)26(34-23)28(32)33-17-6-9-19-24(11-17)35-27(31)21(13-30)25(19)16-4-7-18(36-3)8-5-16/h4-12,25H,31H2,1-3H3/t25-/m1/s1 3703.8727063370 -2337.8954617 1-A 36123.8112 134 456 590 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15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 14.00307 14.00307 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 9167.0840 61211.5557 65399.5923 1.00000 0.00311 -0.00019 -0.00310 0.99978 0.02063 0.00025 -0.02063 0.99979 1 0.00945 0.00141 0.00132 0.19687 0.02948 0.02760 6.74 17.13 25.40 33.51 42.45 47.60 67.26 71.24 91.98 109.30 131.04 154.89 155.75 164.58 183.84 202.32 238.69 250.72 261.39 270.51 281.60 312.72 330.25 356.73 365.07 392.96 406.76 410.24 435.48 496.64 508.78 520.36 545.71 552.54 570.65 581.23 588.98 598.53 656.71 662.57 689.29 700.57 725.32 736.07 743.57 764.29 783.28 795.55 862.89 880.12 894.09 957.48 976.28 987.80 988.30 1008.45 1038.58 1041.00 1043.53 1058.38 1087.64 1114.22 1129.47 1145.74 1167.37 1200.12 1208.53 1235.26 1235.97 1266.09 1277.12 1295.54 1327.81 1352.56 1368.68 1394.09 1405.44 1416.00 1464.74 1467.75 1514.34 1548.73 1567.15 1568.98 1571.54 1587.51 1590.86 1602.45 1603.48 1675.39 1680.99 1685.14 1687.90 1714.21 1737.85 1746.35 1750.44 1794.81 1822.81 1825.79 1830.11 1847.84 1865.52 1882.25 1884.71 1896.82 1909.55 1940.13 1986.31 1999.94 2006.03 2051.72 2056.08 2076.48 2088.00 2131.82 2149.03 2179.26 2249.65 2250.46 2257.74 2260.06 2282.39 2294.71 2323.37 2338.79 2343.37 2345.82 2350.70 2358.55 2363.82 2405.72 2419.58 2531.68 2532.88 2552.77 2598.20 2602.44 2614.10 2622.60 2637.33 2665.05 2878.54 3693.31 4612.87 4618.73 4631.86 4646.39 4688.47 4719.05 4745.09 4771.65 4779.04 4828.79 4832.25 4842.04 4861.12 4875.21 4877.88 4889.78 4895.76 4903.48 4910.20 5494.21 5662.81 0.461174 0.492066 0.493010 0.392279 -2337.434288 -2337.403396 -2337.402451 -2337.503183 3.378568D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE Cc1cc2c(cc1Cl)c(c(o2)C(=O)Oc3ccc4c(c3)OC(=C([C@@H]4c5ccc(cc5)SC)C#N)N)C C38700720 RHF 6-31G(d) (6D,10F) C1 516.091057 |X|Y|Z| 60.910496 39.691752 175.608257 75.158675 27 6 8 24 3 |36.858105| |12.625353|36.858105| |7.605868|13.793340|36.858105| |5.058518|8.023346|13.749237|36.858105| |4.427045|6.817484|7.829388|13.788585|36.858105| |4.981954|7.785531|6.755565|7.954570|13.657556|36.858105| |7.477768|13.487954|7.932860|7.025500|8.035367|13.883305|36.858105| |6.222004|6.969519|4.751183|4.269910|4.792004|7.107328|10.886258|448.794386| |3.335569|4.528986|5.293536|8.432033|13.145448|7.252248|5.023920|28.831834|36.858105| |3.213667|4.230390|5.420913|8.803706|8.616961|5.298846|4.234248|24.787404|14.153142|36.858105| |3.863841|5.228664|7.843847|14.244479|8.518744|5.384580|4.716220|26.424306|8.450767|13.963153|73.516695| |2.611192|3.219843|3.952313|5.373590|5.194149|3.783085|3.190399|20.024435|7.458482|12.940879|13.963328|36.858105| |2.300702|2.782228|3.254741|4.218505|4.381082|3.386583|2.836493|18.436024|6.344978|8.098347|9.592719|16.059232|73.516695| |2.551828|3.056840|3.835755|4.865085|4.279077|3.258637|2.899421|18.420786|5.252714|8.205631|13.061640|14.287654|15.196810|73.516695| |2.166828|2.508670|3.021323|3.599868|3.284366|2.647738|2.396918|15.803400|3.917781|5.258413|8.543775|8.127680|12.584499|24.567959|36.858105| |1.975651|2.259163|2.656008|3.104214|2.906882|2.403383|2.181693|14.653235|3.441679|4.332268|6.985172|6.191562|10.877260|14.096061|13.746694|36.858105| |1.741097|1.951325|2.246961|2.548676|2.409153|2.051745|1.887680|12.957803|2.777816|3.324772|5.491554|4.371500|7.990459|9.290171|8.014915|13.836670|36.858105| |1.661021|1.843640|2.113409|2.363229|2.224060|1.913019|1.775916|12.276919|2.525013|2.991232|5.034364|3.817240|6.898248|8.147391|6.852857|7.863095|13.661670|36.858105| |1.776081|1.980028|2.294740|2.575347|2.392818|2.038797|1.894116|12.975622|2.712574|3.274316|5.570476|4.202893|7.342671|9.354971|8.037453|6.921472|8.051431|13.827257|36.858105| |2.030161|2.307480|2.741035|3.158466|2.881793|2.385048|2.194214|14.692953|3.322741|4.228468|7.166338|5.743697|9.384412|14.373029|13.885724|7.925593|6.902172|7.861379|13.736262|36.858105| |1.671130|1.838567|2.104369|2.315062|2.156793|1.870507|1.756568|12.181420|2.394365|2.811602|4.868397|3.413521|5.965184|7.231560|5.310522|4.623038|5.222615|7.911315|13.899187|8.183220|73.516695| |1.497469|1.630008|1.836553|1.996928|1.882690|1.659932|1.566224|11.023282|2.073001|2.373363|4.102514|2.815059|5.022165|5.735804|4.048498|3.834879|4.573125|6.861085|8.136992|5.347479|25.396153|36.858105| |1.417376|1.540468|1.725934|1.876957|1.782799|1.578671|1.487286|10.522184|1.968596|2.236396|3.835979|2.659160|4.819725|5.348841|3.805416|3.896343|5.023003|7.697611|6.918102|4.608661|14.383591|14.167289|36.858105| |1.470904|1.609161|1.812439|1.989061|1.889898|1.660644|1.555605|10.942338|2.108521|2.417783|4.108846|2.938111|5.365954|5.966659|4.430996|4.991688|7.497545|12.537828|7.534121|4.988857|11.645071|7.563768|12.559576|36.858105| |1.409697|1.545016|1.725925|1.902234|1.833935|1.619341|1.508292|10.667903|2.061228|2.329572|3.894767|2.830379|5.315430|5.548762|4.019691|4.659685|6.852708|8.999799|5.913412|4.314491|9.230488|5.914628|8.977976|17.540770|0.500000| |1.419531|1.536943|1.724967|1.865001|1.759515|1.559354|1.476260|10.443307|1.929546|2.198409|3.811470|2.595909|4.645897|5.284428|3.746252|4.315420|6.090237|7.521004|5.292119|3.989689|8.466055|5.330390|7.522378|12.465714|0.250074|36.858105| |1.321292|1.425185|1.582560|1.705304|1.626299|1.455337|1.378130|9.838070|1.779100|1.993077|3.435685|2.320071|4.205826|4.585268|3.132651|3.678445|4.937252|5.290605|3.947463|3.199084|6.392843|3.987353|5.334947|7.537010|0.207776|13.753002|36.858105| |1.268797|1.356578|1.498570|1.596021|1.517475|1.369132|1.307197|9.389276|1.638317|1.821896|3.180740|2.075131|3.717014|4.084993|2.699843|3.116459|3.891915|3.993824|3.204401|2.720274|5.287888|3.232024|4.013725|4.996435|0.134507|7.894191|13.719230|36.858105| |1.297853|1.378572|1.527217|1.610321|1.514026|1.367305|1.316303|9.445879|1.616323|1.805568|3.205983|2.032724|3.574093|4.058351|2.650599|2.984614|3.596105|3.727651|3.122816|2.690374|5.222343|3.143385|3.730988|4.401598|0.111342|6.803992|7.917934|13.756040|36.858105| |1.392077|1.480590|1.656137|1.745011|1.621547|1.453884|1.402380|9.986102|1.728582|1.956697|3.510158|2.214049|3.837662|4.528488|2.999625|3.304939|3.989057|4.322324|3.685293|3.119733|6.199803|3.697133|4.299820|4.991250|0.116914|7.903602|6.901753|7.961614|13.673443|36.858105| |1.461287|1.569911|1.770121|1.889014|1.754897|1.557209|1.489991|10.524677|1.894659|2.171133|3.857851|2.515947|4.377539|5.232560|3.622999|3.991638|5.125910|6.110416|4.956238|3.902264|8.214354|4.963571|6.047309|7.484748|0.155716|13.682150|7.979460|6.892478|7.911140|13.802779|36.858105| |1.215269|1.277054|1.401145|1.458931|1.373592|1.254762|1.218135|8.826424|1.447524|1.596833|2.859269|1.757817|3.077189|3.459447|2.183226|2.413094|2.755384|2.784198|2.442778|2.190135|4.141974|2.454399|2.783215|3.115905|0.081332|4.154272|4.696598|6.900127|10.666917|6.884676|4.697877|388.023441| |1.119700|1.170945|1.276764|1.324205|1.251589|1.150303|1.119332|8.164489|1.314942|1.440427|2.577354|1.577036|2.771297|3.079985|1.933655|2.085982|2.370098|2.476659|2.226602|1.983152|3.908435|2.376216|2.683379|2.838544|0.074498|3.626501|4.006482|5.329941|6.859052|5.363245|4.025555|74.580317|36.858105| |1.282243|1.381460|1.528713|1.645992|1.575552|1.414311|1.339085|9.589556|1.723117|1.920322|3.302584|2.228312|4.059234|4.368813|2.967663|3.062355|3.785501|5.001392|4.560489|3.431705|9.331567|8.018222|13.333021|7.507566|0.191416|6.110289|5.054841|3.955230|3.613175|3.951551|5.037475|19.629268|2.792312|36.858105| |1.191671|1.276532|1.401148|1.499072|1.441840|1.305885|1.240650|8.957493|1.566628|1.725418|2.973205|1.971876|3.597550|3.811229|2.522869|2.604588|3.128913|3.875240|3.585822|2.850861|7.202277|5.600640|7.418125|5.339182|0.145981|4.849427|4.429770|3.670164|3.346638|3.519963|4.168504|18.863663|2.785350|16.718287|53.358707| |1.430905|1.543839|1.723863|1.851840|1.749374|1.560254|1.482946|10.527682|1.900371|2.142840|3.740099|2.468057|4.379872|4.928245|3.289670|3.062488|3.462027|4.622964|5.443523|4.211718|15.329672|14.041991|7.897830|5.011391|0.119358|4.032903|3.238383|2.754297|2.724071|3.153522|3.940999|15.732287|2.205760|6.741337|7.327596|53.358707| |2.765561|3.536596|3.816057|5.133849|7.269723|5.751019|4.088235|26.003707|12.716991|7.388718|9.111055|5.854024|10.798793|7.458198|3.423572|3.140410|2.609379|2.373297|2.502488|2.959547|3.958490|1.963117|1.884122|2.016696|0.055770|1.833805|1.713129|1.572541|1.532573|1.618654|1.771738|9.774562|1.254922|1.667222|2.076205|2.456491|36.858105| |17.569824|8.851382|5.910725|4.332584|3.970160|4.572853|6.656194|51.404617|3.065920|2.922701|6.065388|2.411194|3.826444|4.172820|2.016820|1.869659|1.655711|1.570722|1.660739|1.878813|2.771839|1.407737|1.342809|1.399511|0.037404|1.358669|1.273644|1.228862|1.256039|1.338732|1.396356|8.416810|1.088683|1.220421|1.548568|1.828085|2.607310|0.500000| |17.569596|8.851042|5.910542|4.332346|3.969794|4.572385|6.655722|51.405374|3.065617|2.922459|6.065204|2.411023|3.826052|4.172903|2.017271|1.835426|1.632484|1.571606|1.686591|1.916554|2.850119|1.442007|1.360334|1.400439|0.037346|1.347012|1.254552|1.203569|1.229229|1.317115|1.383848|8.191074|1.068636|1.236238|1.568625|1.889939|2.607025|0.302864|0.500000| |17.597933|8.894850|7.370411|4.803956|3.972463|4.152477|5.545184|36.947633|3.116201|3.125655|6.864981|2.589579|4.020939|4.619985|2.216367|2.013589|1.779026|1.704269|1.828215|2.089147|3.065413|1.542118|1.455954|1.508793|0.039913|1.463791|1.356877|1.306850|1.345964|1.451807|1.520245|8.975194|1.161856|1.314882|1.661119|2.007274|2.568786|0.301218|0.301203|0.500000| |7.003964|8.889424|17.745691|8.893193|5.604758|4.893155|5.622175|31.366705|4.335760|4.740499|12.416485|3.709655|5.411961|6.775904|3.048273|2.669053|2.273773|2.154547|2.350163|2.801040|3.848689|1.885103|1.765449|1.849320|0.048475|1.774541|1.618990|1.539979|1.584349|1.731690|1.844704|10.356108|1.325545|1.560971|1.944803|2.412038|3.254917|0.152341|0.152331|0.225518|0.500000| |4.075636|5.579937|4.893500|5.636051|8.813246|17.749952|8.957593|54.612016|6.382659|4.555391|7.701812|3.444703|5.715721|5.211794|2.442457|2.249827|1.941637|1.811345|1.915667|2.211335|3.136157|1.579002|1.508939|1.585679|0.043288|1.486029|1.396205|1.312880|1.303745|1.377161|1.473237|8.523310|1.102214|1.360167|1.716146|2.024663|6.023272|0.107961|0.107949|0.095705|0.106551|0.500000| |2.026603|2.331927|2.731300|3.218385|3.050461|2.516924|2.268414|15.201703|3.640200|4.525074|7.171415|6.276986|11.136238|12.814521|8.914505|17.755835|8.908756|5.608201|4.980164|5.650355|6.521373|3.162864|3.247943|4.071800|0.109559|3.722753|3.348436|2.927729|2.799828|3.014958|3.475373|16.536756|1.990569|2.664163|3.155847|3.557758|3.337254|0.053735|0.051899|0.057040|0.075437|0.065589|0.500000| |1.633105|1.816898|2.064869|2.318059|2.215132|1.914284|1.767041|12.267178|2.530616|2.945720|4.876458|3.719898|6.908068|7.496513|5.684299|8.981385|17.722978|8.937017|5.703007|4.967615|7.477875|3.945482|4.556771|6.989692|0.195860|6.411645|5.745997|4.455071|3.926943|4.134432|5.092202|21.158810|2.504135|3.643017|4.190696|4.192320|2.417999|0.043510|0.042537|0.046243|0.057891|0.050694|0.215380|0.500000| |2.129782|2.421924|2.892654|3.314272|2.987995|2.472072|2.286990|15.244468|3.387577|4.297696|7.490920|5.478006|8.655137|13.074250|8.924340|5.636035|4.970504|5.622186|8.902833|17.759438|13.374725|4.933464|4.046414|4.080936|0.099768|3.373512|2.764516|2.403892|2.405618|2.781407|3.381381|14.243703|1.842051|3.133948|3.610462|5.705813|2.971353|0.054122|0.056237|0.061048|0.082484|0.063263|0.124149|0.107830|0.500000| |1.283270|1.388488|1.533949|1.661937|1.602461|1.437307|1.353472|9.693045|1.765647|1.960724|3.334788|2.290244|4.230115|4.433980|3.013388|3.563161|4.758047|4.972624|3.720802|3.048841|6.021065|3.764278|5.042191|7.005201|0.231665|8.919147|17.703416|8.937014|5.646160|4.965896|5.657429|27.689319|3.447546|4.942145|6.037649|4.199886|1.722757|0.034412|0.033918|0.036405|0.043256|0.038530|0.091179|0.158085|0.073364|0.500000| |1.202381|1.282508|1.406587|1.495157|1.431668|1.300207|1.241661|8.975406|1.542801|1.697629|2.953172|1.916771|3.455880|3.712577|2.410632|2.775970|3.369113|3.373088|2.766531|2.401832|4.589893|2.790163|3.392966|4.083831|0.115243|5.631978|8.911163|17.731708|8.932119|5.654748|4.963251|46.872979|5.240754|3.434632|4.485926|3.307610|1.492849|0.032482|0.031722|0.034294|0.039990|0.034789|0.073978|0.107970|0.059558|0.216059|0.500000| |1.407681|1.486007|1.662257|1.732321|1.597208|1.437103|1.397318|9.962977|1.683520|1.904201|3.466242|2.122006|3.632045|4.355149|2.819006|3.021491|3.481178|3.734771|3.360812|2.937853|5.755680|3.361561|3.705580|4.074863|0.096546|5.633024|4.967947|5.659459|8.910562|17.730108|8.939979|46.827859|5.304594|3.426572|4.225133|4.031911|1.564691|0.037597|0.036981|0.041025|0.048679|0.037677|0.077284|0.097798|0.074294|0.107760|0.124311|0.500000| |1.542634|1.658267|1.884694|2.007799|1.845225|1.628858|1.562595|10.972110|1.985476|2.299735|4.133664|2.665743|4.562927|5.672751|3.952505|4.128402|5.081211|6.405302|5.751368|4.462488|9.835329|5.704417|6.271926|6.938282|0.140246|8.893522|5.660060|4.961794|5.640725|8.964479|17.712463|27.691373|3.467026|4.910364|5.436804|6.101741|1.835111|0.040686|0.040597|0.044794|0.054951|0.042561|0.097506|0.130213|0.108336|0.124149|0.107693|0.216543|0.500000| |1.074813|1.118620|1.213797|1.252503|1.185365|1.095212|1.069493|7.839083|1.238806|1.349408|2.421013|1.464408|2.570036|2.842256|1.762308|1.890987|2.112416|2.182747|1.986921|1.796833|3.488462|2.098494|2.329256|2.448489|0.064831|3.019867|3.301785|4.211371|5.113799|4.227981|3.313476|57.157190|17.595168|2.415936|3.298851|2.681288|1.183540|0.029115|0.028518|0.030983|0.035008|0.029185|0.050584|0.061827|0.046702|0.081309|0.119048|0.120069|0.081669|0.500000| |1.140557|1.191000|1.301686|1.346893|1.267473|1.163432|1.134451|8.260975|1.328804|1.460552|2.625935|1.598316|2.794877|3.142031|1.975515|2.102024|2.383793|2.540544|2.318463|2.054489|4.135337|2.530983|2.828290|2.914650|0.074994|3.702070|3.873085|4.841757|6.405878|5.734094|4.291147|55.883047|17.615672|2.950576|4.000480|3.230586|1.262605|0.030704|0.030280|0.032968|0.037678|0.030893|0.055160|0.068720|0.053322|0.091608|0.124657|0.166590|0.104986|0.300184|0.500000| |1.085692|1.138675|1.238992|1.290831|1.227243|1.128489|1.093911|7.991039|1.295556|1.414722|2.511868|1.555444|2.756219|3.017618|1.903013|2.060837|2.364905|2.485344|2.215510|1.956602|3.903330|2.408354|2.767609|2.916258|0.077967|3.702273|4.261760|5.678675|6.409423|4.875137|3.893743|55.897700|17.616949|2.959818|4.101409|3.043652|1.244617|0.029318|0.028840|0.031177|0.035560|0.030138|0.054535|0.069902|0.050376|0.104098|0.163339|0.126083|0.092190|0.300118|0.299296|0.500000| |1.478117|1.597514|1.784232|1.918094|1.812298|1.615645|1.534912|10.879784|1.966296|2.214317|3.867809|2.534013|4.478586|5.028556|3.288684|2.967541|3.235666|4.175318|5.170651|4.275240|14.518748|9.504009|5.887940|4.221171|0.103363|3.437682|2.825077|2.439623|2.421839|2.779410|3.388838|14.277876|1.991319|5.067736|5.825918|26.042358|1.863635|0.038351|0.040006|0.042276|0.050872|0.042752|0.070661|0.079249|0.124313|0.075474|0.060505|0.073605|0.107136|0.049950|0.059223|0.055792|0.500000| |1.331534|1.429762|1.582587|1.692689|1.610830|1.448953|1.379377|9.874235|1.744341|1.942612|3.381176|2.215991|3.967982|4.350123|2.861827|2.730664|3.104138|4.012695|4.405806|3.507216|10.866586|9.428542|7.232109|4.599742|0.114095|3.822009|3.177176|2.721192|2.665448|3.016875|3.672161|15.525434|2.222976|7.597472|8.857612|26.036883|1.672729|0.034868|0.035975|0.038033|0.045061|0.038571|0.065902|0.078882|0.096096|0.085114|0.067364|0.078408|0.111468|0.055153|0.066490|0.063341|0.313675|0.500000| |2.726733|3.449265|3.600578|4.633985|6.515422|5.731576|4.087354|26.793555|8.947448|5.836431|7.903506|4.774674|8.783996|6.455266|3.039246|2.885379|2.426958|2.188535|2.265416|2.623304|3.591367|1.804144|1.750636|1.884231|0.052342|1.736338|1.640113|1.517858|1.478616|1.549316|1.678750|9.510359|1.217794|1.562423|1.956516|2.260296|17.545152|0.073012|0.070964|0.069711|0.085301|0.177194|0.086937|0.063605|0.072286|0.045888|0.040271|0.041647|0.047937|0.032017|0.033899|0.033537|0.047309|0.043029|0.500000| |2.441349|3.026570|3.318149|4.341516|5.442904|4.378619|3.356770|22.003744|8.887276|6.902184|8.302368|6.553199|13.981927|7.987177|3.770913|3.498760|2.891106|2.605224|2.727849|3.219352|4.260488|2.110732|2.035881|2.196068|0.061284|1.969782|1.839947|1.671445|1.613893|1.700955|1.877862|10.198841|1.307787|1.791906|2.222147|2.615182|17.673044|0.064124|0.064123|0.064136|0.081388|0.124788|0.103312|0.074206|0.088170|0.051770|0.044040|0.045296|0.053814|0.034131|0.036494|0.036170|0.054966|0.049437|0.300639|0.500000| 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