Version2.0 2020-07-31T00:41:42Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 14-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(cc(c1)NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C C12729593 RHF 6-31G(d) (6D,7F) Cc1cc(cc(c1)NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C C01[X(C20H24N2O5S1)] 150 C1 472 O=C(Nc1cc(C)cc(c1)C)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 O=C(Nc1cc(C)cc(c1)C)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 Cc1cc(C)cc(NC(=O)CCCN[S](=O)(=O)c2ccc3OCCOc3c2)c1 InChIKey=ZNJKPVLSFKCZAI-UHFFFAOYSA-N InChI=1S/C20H24N2O5S/c1-14-10-15(2)12-16(11-14)22-20(23)4-3-7-21-28(24,25)17-5-6-18-19(13-17)27-9-8-26-18/h5-6,10-13,21H,3-4,7-9H2,1-2H3,(H,22,23) InChI=1/C20H24N2O5S/c1-14-10-15(2)12-16(11-14)22-20(23)4-3-7-21-28(24,25)17-5-6-18-19(13-17)27-9-8-26-18/h5-6,10-13,21H,3-4,7-9H2,1-2H3,(H,22,23)/f/h22H Cc1cc(cc(c1)NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C C01[X(C20H24N2O5S1)] 150 C01 472 O=C(Nc1cc(C)cc(c1)C)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 O=C(N[C]1[CH][C]([CH][C]([CH]1)C)C)CCCNS(=O)(=O)[C]1[CH][CH][C]2[C]([CH]1)OCCO2 C[C]1[CH][C](C)[CH][C]([CH]1)NC(=O)CCCN[S](=O)(=O)[C]2[CH][CH][C]3OCCO[C]3[CH]2 InChIKey=ZNJKPVLSFKCZAI-UHFFFAOYSA-N InChI=1S/C20H24N2O5S/c1-14-10-15(2)12-16(11-14)22-20(23)4-3-7-21-28(24,25)17-5-6-18-19(13-17)27-9-8-26-18/h5-6,10-13,21H,3-4,7-9H2,1-2H3,(H,22,23) InChI=1/C20H24N2O5S/c1-14-10-15(2)12-16(11-14)22-20(23)4-3-7-21-28(24,25)17-5-6-18-19(13-17)27-9-8-26-18/h5-6,10-13,21H,3-4,7-9H2,1-2H3,(H,22,23)/f/h22H 2608.4560004810 -1652.0048759 1-A 24318.6170 107 365 472 |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| -92.20318 -20.61267 -20.60888 -20.54685 -20.54582 -20.53730 -15.60777 -15.59685 -11.36228 -11.32068 -11.31389 -11.30792 -11.30719 -11.28418 -11.27765 -11.27034 -11.26081 -11.25933 -11.25288 -11.25133 -11.24278 -11.23975 -11.23895 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|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|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|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|A|A| 0.11013 0.12894 0.13880 0.14840 0.20465 0.20890 0.22156 0.23351 0.23732 0.24147 0.24921 0.26330 0.26933 0.27073 0.27559 0.28050 0.28423 0.28757 0.29002 0.29352 0.30098 0.30583 0.30732 0.31307 0.31636 0.32293 0.32869 0.33496 0.34178 0.34318 0.34603 0.34757 0.35489 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1.32464 1.34739 1.35416 1.35687 1.36520 1.37827 1.38881 1.41568 1.42268 1.43326 1.43903 1.44316 1.45160 1.46178 1.47236 1.48781 1.49567 1.51233 1.51728 1.52703 1.53434 1.55116 1.56342 1.57088 1.58149 1.59072 1.60443 1.61272 1.62039 1.63058 1.64292 1.64711 1.65528 1.67198 1.67396 1.67415 1.68243 1.69397 1.70664 1.72087 1.72906 1.74968 1.75067 1.77184 1.78028 1.78347 1.79654 1.80642 1.82584 1.84465 1.85178 1.87811 1.89440 1.92992 1.93702 1.96626 1.99190 2.00166 2.01617 2.03069 2.06773 2.06886 2.07447 2.08310 2.08655 2.09714 2.10235 2.11361 2.11928 2.12406 2.12748 2.15499 2.16051 2.16177 2.17586 2.18191 2.18437 2.18779 2.19219 2.20387 2.20874 2.21340 2.21583 2.21980 2.22698 2.23087 2.23489 2.25135 2.25695 2.26654 2.28517 2.28925 2.29306 2.30327 2.32171 2.33067 2.34244 2.36048 2.37327 2.37938 2.38230 2.39892 2.40800 2.41486 2.42795 2.44074 2.44808 2.45733 2.47130 2.48024 2.49989 2.50541 2.52479 2.52672 2.55228 2.56505 2.57914 2.58201 2.59680 2.61291 2.62665 2.63303 2.63395 2.63925 2.64742 2.65040 2.67071 2.67641 2.68744 2.70165 2.70572 2.71369 2.71812 2.72704 2.73129 2.73350 2.75048 2.75822 2.76073 2.77798 2.81838 2.85041 2.85305 2.86856 2.92441 2.95261 2.97324 2.98067 2.98497 3.00049 3.01333 3.02374 3.02597 3.03990 3.05214 3.06328 3.08170 3.09523 3.11360 3.11636 3.15026 3.17345 3.18480 3.18718 3.21341 3.24108 3.25823 3.26361 3.29318 3.30242 3.35899 3.37897 3.38877 3.40645 3.45813 3.67299 3.72195 3.81884 3.85947 4.17513 4.41048 4.41541 4.46969 4.50305 4.51331 4.52385 4.54501 4.55687 4.57594 4.57741 4.60065 4.63647 4.64256 4.66571 4.68239 4.71577 4.72994 4.77073 4.82116 4.83016 4.86384 4.86555 4.92675 4.97476 5.00129 5.21189 5.36513 11.22705 -0.2015 8.0464 1.0211 8.1135 |XX|YY|ZZ|XY|XZ|YZ| -149.6660 -177.6798 -176.7504 25.8995 20.4956 -12.2334 |XX|YY|ZZ|XY|XZ|YZ| 18.3661 -9.6477 -8.7183 25.8995 20.4956 -12.2334 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 52.8577 117.9167 10.0615 48.8974 206.3492 17.7653 -18.6385 4.1728 21.0525 -13.8355 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33.456159 144.178532 61.875183 23 6 7 8 16 18 2 2 1 |36.858105| |12.608058|36.858105| |7.561486|13.663970|36.858105| |5.018368|7.888384|13.788372|36.858105| |4.425787|6.819627|7.925413|13.651944|36.858105| |5.005137|7.886504|6.880953|7.930873|13.776853|36.858105| |7.569747|13.810730|7.981031|6.882267|7.921376|13.638263|36.858105| |3.888660|5.194177|4.561120|5.117372|7.729430|13.505962|7.987036|53.358707| |3.066367|3.884977|3.671929|4.294324|6.254060|7.604414|5.151457|19.062279|36.858105| |2.826309|3.586800|3.607247|4.467432|6.545198|6.486970|4.429561|11.444082|15.897246|73.516695| |2.632613|3.134613|2.905257|3.219683|4.196396|5.017058|4.005278|10.714888|12.511202|14.239129|36.858105| |2.228312|2.600283|2.485348|2.774940|3.478786|3.829825|3.147495|7.028381|7.529817|11.973803|12.471265|36.858105| |1.966851|2.224853|2.111118|2.295586|2.758494|3.034402|2.634259|5.278814|4.909289|7.896085|7.546853|12.490806|36.858105| |1.747643|1.958729|1.888947|2.057329|2.417962|2.574512|2.259412|4.254953|3.837001|6.602573|5.015446|7.820255|13.069949|53.358707| |1.554701|1.707576|1.641857|1.758314|2.015654|2.143903|1.937961|3.439381|2.934298|5.022854|3.661298|4.783177|7.057952|15.855420|388.023441| |1.439336|1.577609|1.534929|1.649248|1.869274|1.950431|1.765147|3.056079|2.588105|4.558609|3.058933|3.936338|4.990796|10.624069|94.801277|73.516695| |1.588888|1.728247|1.639745|1.732621|1.978237|2.141904|1.969041|3.446238|2.854783|4.741963|3.596458|4.410786|6.344930|10.525952|94.784712|13.545612|73.516695| |1.472509|1.607235|1.546419|1.649124|1.875578|1.989556|1.812581|3.160059|2.665971|4.576409|3.292553|3.983362|5.663908|9.443454|76.469165|13.096196|13.104492|36.858105| |1.378812|1.505261|1.464524|1.569248|1.770760|1.846428|1.678747|2.881553|2.430848|4.281659|2.885784|3.450828|4.449604|7.399297|49.473762|11.483104|8.828140|13.712157|36.858105| |1.314394|1.426131|1.388237|1.480026|1.655804|1.723117|1.579948|2.659406|2.209813|3.890806|2.578695|2.939593|3.627621|5.499525|33.694802|7.857715|6.834673|7.972167|13.811706|36.858105| |1.327539|1.431109|1.381631|1.460396|1.630401|1.715086|1.588378|2.651381|2.171543|3.757542|2.555419|2.809147|3.484693|4.945738|29.904520|6.583775|6.586784|6.905769|7.942748|13.738061|36.858105| |1.411291|1.518790|1.450650|1.525135|1.712346|1.829255|1.701390|2.865657|2.336233|3.955481|2.827467|3.077581|3.986481|5.439918|33.687977|6.848260|7.891811|7.968560|6.855395|7.916562|13.698109|36.858105| |1.491838|1.615250|1.538070|1.622905|1.839917|1.978477|1.826466|3.148945|2.601533|4.366507|3.247581|3.679559|5.169015|7.258151|49.546657|8.877666|11.598486|13.760426|7.896950|6.864887|7.936842|13.782656|36.858105| |1.407165|1.500005|1.422212|1.480103|1.651115|1.777681|1.676806|2.768389|2.208275|3.694444|2.648530|2.761154|3.449145|4.494344|26.635479|5.522197|6.690072|5.262031|4.607336|5.212674|7.951615|14.048053|8.088151|73.516695| |1.344100|1.427345|1.359591|1.412556|1.562927|1.669483|1.581271|2.563105|2.028793|3.428027|2.369690|2.427835|2.898587|3.774573|21.508410|4.657843|5.281541|4.050252|3.881825|4.675237|7.064039|8.187653|5.308821|24.080804|36.858105| |1.234531|1.311334|1.260794|1.314857|1.446285|1.525079|1.440209|2.316921|1.841706|3.163452|2.113268|2.208903|2.602368|3.526740|20.449157|4.609681|4.880424|3.892876|4.041250|5.299786|8.177865|7.064624|4.681097|14.186664|12.588971|36.858105| |1.253958|1.343451|1.300014|1.368114|1.512752|1.583760|1.478272|2.415029|1.951068|3.389731|2.243560|2.401512|2.852409|3.963584|23.040639|5.251367|5.242910|4.637180|5.265974|8.096988|14.113055|7.973200|5.230383|12.096308|7.972129|13.518905|73.516695| |3.782298|5.005698|7.562275|12.604672|7.601094|5.040633|4.451691|5.216275|3.518963|6.863054|2.747112|2.477298|2.076629|2.593695|11.664543|2.776331|2.842348|1.544497|1.489211|1.408793|1.379714|1.424268|1.507070|2.445430|1.320585|1.242418|2.308754|36.858105| |17.546864|8.847429|6.737931|4.604615|3.969039|4.291060|5.887656|4.654973|2.781212|4.626479|2.412729|2.058402|1.834727|2.228899|10.418606|2.417626|2.649454|1.402239|1.321018|1.267913|1.283330|1.358102|1.423828|2.415181|1.307682|1.203181|2.168544|3.645067|0.500000| |17.577836|8.825667|5.566880|4.166402|3.957957|4.739063|7.256955|5.334810|3.063974|4.897152|2.703798|2.265607|2.022191|2.427096|11.339149|2.605632|2.925553|1.511467|1.405343|1.340088|1.361603|1.458182|1.543382|2.600638|1.393045|1.271457|2.284064|3.215425|0.301696|0.500000| |17.546571|8.848570|6.722388|4.600597|3.970336|4.296432|5.899594|4.662532|2.781154|4.624268|2.409009|2.085392|1.847687|2.262599|10.573631|2.465275|2.705373|1.399984|1.313298|1.249294|1.257224|1.333333|1.411919|2.357715|1.265174|1.168308|2.111065|3.640680|0.302321|0.301733|0.500000| |7.036161|8.906795|17.693921|8.937481|5.638011|4.954290|5.667499|4.936042|3.047362|5.387599|2.496069|2.183579|1.887144|2.327567|10.696022|2.517523|2.670437|1.422875|1.354735|1.289829|1.283766|1.342086|1.415400|2.344434|1.266678|1.180197|2.158781|7.007466|0.192118|0.140766|0.191242|0.500000| |3.545144|4.931863|5.647899|8.890018|17.816544|8.941604|5.642761|9.546284|6.841761|15.079385|4.430970|3.806689|2.939281|3.536938|15.146778|3.532481|3.655448|1.975445|1.878403|1.747371|1.703345|1.776062|1.913518|3.011605|1.602169|1.490971|2.798543|7.062812|0.090468|0.090250|0.090502|0.124146|0.500000| |7.020639|8.949713|5.659658|4.953946|5.640774|8.888484|17.680667|10.074867|4.848532|7.106336|4.071878|3.148122|2.696616|3.111840|14.079165|3.173365|3.630542|1.854380|1.700198|1.601545|1.623951|1.757732|1.890648|3.106413|1.640406|1.481407|2.683756|3.556305|0.152361|0.223470|0.152814|0.124394|0.124161|0.500000| |3.934479|4.953973|4.106662|4.293330|5.759765|9.360349|7.719730|26.088038|9.495272|10.893994|7.719246|4.930958|3.918950|4.223194|18.166085|3.979695|4.658408|2.352635|2.115362|1.956701|1.974468|2.164715|2.385602|3.761759|1.946919|1.740805|3.194560|3.290915|0.095341|0.115437|0.095592|0.092937|0.143533|0.238736|0.500000| |2.728809|3.185019|2.860314|3.064513|3.886200|4.862494|4.130428|10.276338|8.814737|10.510631|17.539478|8.819049|6.822540|6.306462|25.439695|5.255527|6.610830|3.175435|2.725933|2.443113|2.458482|2.775078|3.212933|4.710284|2.345149|2.070843|3.845032|2.581463|0.068644|0.079575|0.069431|0.068441|0.108797|0.122691|0.244395|0.500000| |2.536251|2.979826|2.763910|3.034040|3.860905|4.543472|3.744066|8.990959|9.032438|11.881162|17.503264|8.820274|6.973748|6.333780|25.117902|5.206028|6.098318|3.380409|2.984556|2.726405|2.748878|3.051284|3.426015|5.127728|2.604395|2.287237|4.311198|2.613591|0.065707|0.072562|0.063825|0.066520|0.112443|0.106462|0.184571|0.303306|0.500000| |2.141312|2.515092|2.463178|2.808433|3.519668|3.689919|2.985013|6.450859|7.079559|13.366540|8.908796|17.581831|8.837191|9.613640|31.394792|6.809560|6.844128|3.837803|3.501422|2.999195|2.803457|2.970216|3.453843|4.684444|2.363186|2.185729|4.291357|2.565007|0.055482|0.059664|0.055728|0.060367|0.111133|0.080943|0.120005|0.173974|0.210106|0.500000| |2.233346|2.603512|2.496378|2.785283|3.466444|3.784087|3.129404|6.743064|6.761200|11.077150|8.839688|17.568337|8.901614|9.828750|32.825687|7.041343|7.790738|3.617451|3.150881|2.668538|2.531702|2.757737|3.300639|4.424981|2.191440|2.017420|3.875333|2.493566|0.056759|0.062917|0.058798|0.061039|0.105023|0.086592|0.131056|0.212933|0.173229|0.303595|0.500000| |1.992059|2.225349|2.078314|2.220473|2.642179|2.971058|2.645747|5.168143|4.518305|6.983568|6.873986|8.834114|17.625088|12.614655|48.058225|8.305625|13.171416|5.285684|4.004333|3.332375|3.306836|3.928078|5.195024|6.248243|2.893444|2.556220|4.850222|1.988955|0.051343|0.057569|0.052072|0.051680|0.076418|0.076831|0.111035|0.203455|0.173004|0.173400|0.212665|0.500000| |1.923165|2.165896|2.055832|2.228516|2.660641|2.919054|2.552205|5.021877|4.599050|7.448564|6.893612|8.830522|17.496424|12.261739|44.146107|7.959215|9.736337|6.112890|4.844960|4.080916|4.020258|4.663882|5.919642|7.092413|3.344155|2.940398|5.780450|2.021694|0.050327|0.054968|0.049831|0.051197|0.078535|0.072678|0.103853|0.168347|0.209805|0.211292|0.173818|0.301525|0.500000| |1.701641|1.916966|1.874083|2.063886|2.421711|2.521540|2.191214|4.098962|3.748126|6.754504|4.628269|7.158456|9.064866|25.926315|61.283292|13.358378|10.173791|6.213292|5.556619|4.115468|3.551595|3.708913|4.659161|5.421285|2.635236|2.515154|5.120786|1.937895|0.044484|0.047815|0.045021|0.047247|0.073464|0.060748|0.081184|0.114037|0.120923|0.210900|0.183116|0.180105|0.207476|0.500000| |1.351110|1.479427|1.450277|1.562636|1.759929|1.815119|1.642159|2.811754|2.384002|4.272090|2.772666|3.381946|4.176076|7.356707|47.191731|13.107098|8.133806|8.899878|17.756170|8.929134|5.648119|4.946231|5.632231|6.503857|3.199142|3.360373|7.553506|1.494929|0.035931|0.038060|0.035891|0.037331|0.052225|0.045865|0.056766|0.072149|0.078212|0.097483|0.087594|0.102852|0.120658|0.164817|0.500000| |1.248307|1.352766|1.325522|1.415145|1.572365|1.620168|1.486949|2.470608|2.044122|3.643725|2.330520|2.633411|3.116907|4.712507|27.751270|6.844861|5.722501|5.646185|8.887223|17.742079|8.987220|5.655587|4.950257|7.506227|4.064804|4.852972|13.256192|1.358600|0.033571|0.035207|0.033024|0.034356|0.046200|0.041642|0.050165|0.061047|0.068240|0.075852|0.067044|0.079366|0.095777|0.100604|0.213328|0.500000| |1.557385|1.679831|1.583705|1.659528|1.884721|2.055031|1.911879|3.297821|2.690177|4.420942|3.418649|3.784651|5.389890|7.085175|46.975633|8.168210|13.283404|8.875028|5.620152|4.951578|5.657440|8.974111|17.761579|13.187307|4.840223|4.062874|7.513596|1.526719|0.041107|0.045078|0.040913|0.040386|0.053962|0.055572|0.070529|0.097173|0.099261|0.095011|0.095187|0.164863|0.165342|0.120720|0.123765|0.107547|0.500000| |1.316400|1.386494|1.315352|1.356364|1.491447|1.598433|1.530054|2.437435|1.901552|3.196797|2.200454|2.219444|2.605482|3.369447|19.112100|4.174991|4.818819|3.415615|3.231710|3.733749|5.126054|5.939067|4.373319|16.891696|17.634476|8.834495|10.159568|1.265823|0.035645|0.038042|0.034439|0.034141|0.042170|0.044313|0.051753|0.061258|0.066802|0.059592|0.056211|0.073476|0.081877|0.065064|0.076109|0.092654|0.117548|0.500000| |1.405638|1.499194|1.429201|1.488998|1.652707|1.765001|1.664859|2.715008|2.156353|3.646019|2.516268|2.542955|2.997800|3.817238|20.920667|4.518989|5.058529|3.877522|3.761792|4.498616|6.414460|7.004788|4.900955|16.543616|17.545153|8.885686|12.773300|1.390320|0.038091|0.040404|0.036571|0.036905|0.047134|0.047867|0.057116|0.068369|0.078384|0.069360|0.062866|0.081765|0.098360|0.074709|0.087089|0.110392|0.124292|0.299814|0.500000| |1.183568|1.252158|1.203060|1.250981|1.371360|1.446302|1.371580|2.190583|1.732903|2.973901|1.983088|2.084017|2.457257|3.380488|20.118536|4.590644|4.880167|3.765950|3.863640|4.886715|6.982025|6.400233|4.497000|12.784128|8.883330|17.557906|16.549630|1.183097|0.031989|0.033898|0.031236|0.031350|0.039186|0.039253|0.045820|0.054460|0.058808|0.056905|0.053550|0.067919|0.075481|0.066566|0.090275|0.124740|0.110414|0.213187|0.173886|0.500000| |1.191129|1.261625|1.216542|1.266689|1.385142|1.453724|1.377305|2.188681|1.729430|2.985119|1.954767|2.021464|2.326279|3.136059|17.768786|4.070698|4.239891|3.242331|3.414265|4.374162|5.944443|5.130324|3.739401|10.164493|8.827749|17.636347|16.886042|1.201660|0.032394|0.034010|0.031307|0.031741|0.039617|0.039253|0.045544|0.053051|0.058873|0.055981|0.051420|0.063213|0.072600|0.062767|0.081650|0.117981|0.092593|0.208632|0.213233|0.299793|0.500000| |3.342618|4.294930|5.890219|8.848601|6.774056|4.624710|3.991596|5.010276|3.489826|6.970407|2.733803|2.527972|2.104401|2.660770|11.923102|2.860715|2.894875|1.562128|1.508380|1.417572|1.378570|1.420187|1.511086|2.423248|1.303050|1.231373|2.297614|17.548725|0.087748|0.080802|0.091608|0.152389|0.192760|0.090784|0.087615|0.071163|0.071071|0.073094|0.071874|0.055812|0.056292|0.055504|0.042336|0.038007|0.042450|0.034612|0.037954|0.032659|0.033001|0.500000| |3.341343|4.293640|5.888480|8.847820|6.774033|4.624481|3.990909|5.009716|3.496807|6.992682|2.744016|2.484394|2.088367|2.609940|11.716194|2.790122|2.829966|1.567092|1.521810|1.446489|1.414695|1.451817|1.527468|2.488378|1.350975|1.273610|2.374614|17.548156|0.091632|0.080806|0.087619|0.152334|0.192753|0.090769|0.087558|0.070428|0.073823|0.072663|0.068350|0.054994|0.057092|0.054581|0.042449|0.038886|0.042718|0.035871|0.039702|0.033554|0.034313|0.302444|0.500000| |3.810623|4.742495|7.257575|8.830727|5.581800|4.179778|3.978270|4.434443|2.971985|5.649147|2.403931|2.181893|1.865983|2.345639|10.696180|2.554246|2.619258|1.422432|1.373912|1.306041|1.283039|1.323105|1.393433|2.282887|1.237405|1.166503|2.158049|17.580073|0.104731|0.088309|0.104527|0.223158|0.141101|0.090487|0.080266|0.063683|0.064016|0.062270|0.061086|0.050031|0.050606|0.048529|0.038276|0.035073|0.039246|0.033090|0.036103|0.030930|0.031432|0.301532|0.301520|0.500000| 1649.887079 -9097.868000 3379.897734 -192.377923 -4260.461110 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