Version2.0 2020-01-15T03:03:24Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCNC(=O)c1ccc(cc1)Cn2c(=O)c3ccccc3nc2SCC(=O)Nc4ccccc4Cl C33058556 RHF 6-31G(d) (6D,7F) CCCNC(=O)c1ccc(cc1)Cn2c(=O)c3ccccc3nc2SCC(=O)Nc4ccccc4Cl C01[X(C27H25Cl1N4O3S1)] 177 C1 598 CCCNC(=O)c1ccc(cc1)Cn1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)cccc2 CCCNC(=O)c1ccc(cc1)Cn1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)cccc2 CCCNC(=O)c1ccc(CN2C(=O)c3ccccc3N=C2SCC(=O)Nc4ccccc4Cl)cc1 InChIKey=PNTSRCIIEDTGJK-UHFFFAOYSA-N InChI=1S/C27H25ClN4O3S/c1-2-15-29-25(34)19-13-11-18(12-14-19)16-32-26(35)20-7-3-5-9-22(20)31-27(32)36-17-24(33)30-23-10-6-4-8-21(23)28/h3-14H,2,15-17H2,1H3,(H,29,34)(H,30,33) InChI=1/C27H25ClN4O3S/c1-2-15-29-25(34)19-13-11-18(12-14-19)16-32-26(35)20-7-3-5-9-22(20)31-27(32)36-17-24(33)30-23-10-6-4-8-21(23)28/h3-14H,2,15-17H2,1H3,(H,29,34)(H,30,33)/f/h29-30H CCCNC(=O)c1ccc(cc1)Cn2c(=O)c3ccccc3nc2SCC(=O)Nc4ccccc4Cl C01[X(C27H25Cl1N4O3S1)] 177 C01 598 CCCNC(=O)c1ccc(cc1)Cn1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)cccc2 CCCNC(=O)c1ccc(cc1)Cn1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)cccc2 CCCNC(=O)c1ccc(CN2C(=O)c3ccccc3N=C2SCC(=O)Nc4ccccc4Cl)cc1 InChIKey=PNTSRCIIEDTGJK-UHFFFAOYSA-N InChI=1S/C27H25ClN4O3S/c1-2-15-29-25(34)19-13-11-18(12-14-19)16-32-26(35)20-7-3-5-9-22(20)31-27(32)36-17-24(33)30-23-10-6-4-8-21(23)28/h3-14H,2,15-17H2,1H3,(H,29,34)(H,30,33) InChI=1/C27H25ClN4O3S/c1-2-15-29-25(34)19-13-11-18(12-14-19)16-32-26(35)20-7-3-5-9-22(20)31-27(32)36-17-24(33)30-23-10-6-4-8-21(23)28/h3-14H,2,15-17H2,1H3,(H,29,34)(H,30,33)/f/h29-30H 3834.5883494510 -2336.4640485 1-A 30902.4264 136 462 598 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.84510 -91.97650 -20.55981 -20.54543 -20.51726 -15.64098 -15.62429 -15.57785 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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 19713.9857 40523.4942 53274.7020 0.99976 0.01742 0.01351 -0.01750 0.99983 0.00548 -0.01342 -0.00572 0.99989 1 0.00439 0.00214 0.00163 0.09155 0.04454 0.03388 8.14 12.02 24.07 26.63 40.00 51.73 57.11 60.54 78.08 82.27 90.04 115.80 131.90 144.54 151.77 164.72 181.86 211.56 250.15 258.15 267.47 291.74 337.89 345.08 365.10 410.06 424.17 431.46 440.61 465.55 479.09 504.31 524.69 545.07 603.92 610.99 618.73 661.12 670.43 690.85 696.87 712.63 717.45 746.05 816.91 824.01 846.01 848.02 871.45 874.35 904.63 931.81 946.35 985.84 1003.36 1011.39 1063.08 1069.25 1098.65 1122.96 1153.48 1159.06 1163.14 1171.69 1215.60 1235.19 1244.87 1251.65 1265.77 1293.60 1316.61 1335.58 1360.02 1376.48 1390.77 1394.95 1415.09 1428.81 1431.35 1454.07 1470.66 1520.04 1528.40 1560.00 1587.11 1592.27 1595.67 1608.64 1611.33 1614.84 1624.18 1627.33 1627.71 1635.89 1658.00 1668.92 1727.49 1739.50 1743.81 1769.62 1788.08 1799.10 1819.58 1829.14 1849.76 1858.70 1865.23 1871.08 1893.25 1900.08 1904.50 1917.22 1961.92 1978.11 1986.56 1991.69 2025.57 2062.68 2064.10 2075.41 2076.47 2104.23 2121.05 2141.80 2165.65 2219.15 2244.24 2259.74 2268.65 2300.03 2314.30 2342.77 2357.19 2362.07 2365.50 2373.87 2376.26 2376.73 2401.37 2424.21 2461.34 2485.14 2539.49 2543.97 2582.35 2584.19 2592.33 2610.39 2624.95 2782.72 2795.52 2845.58 4581.68 4598.66 4610.48 4647.49 4698.45 4706.09 4709.14 4741.14 4751.99 4785.09 4824.71 4843.61 4852.55 4853.90 4854.74 4870.58 4877.47 4890.68 4899.23 4899.43 4909.70 4909.86 4993.28 5580.45 5584.83 0.515319 0.546540 0.547484 0.444069 -2335.948729 -2335.917508 -2335.916564 -2336.019979 3.468556D-04 MUNgauss RevisionA2.0 retrievium 15-Jan-2020 DUDE CCCNC(=O)c1ccc(cc1)Cn2c(=O)c3ccccc3nc2SCC(=O)Nc4ccccc4Cl C33058556 RHF 6-31G(d) (6D,10F) C1 520.133590 |X|Y|Z| 94.192022 141.227236 45.663242 84.690190 27 6 7 16 23 3 1 |36.858105| |12.468962|36.858105| 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|1.734624|2.013465|2.117050|3.424637|2.643384|4.166465|3.298555|3.336790|4.096753|5.672010|5.492178|3.978501|7.792308|18.586696|36.858105| |1.762567|2.052438|2.144749|3.476452|2.676915|4.212501|3.331859|3.290099|3.953707|5.518780|5.744703|4.130627|7.081878|11.473449|15.863821|73.516695| |1.630314|1.869708|1.934863|3.062742|2.311051|3.671461|2.771493|2.775242|3.254872|4.117936|4.099621|3.251019|5.060958|10.746617|13.026784|14.386939|36.858105| |1.562082|1.778021|1.806527|2.817532|2.088991|3.332930|2.439176|2.391755|2.710710|3.328270|3.456911|2.862207|3.868034|6.997554|7.674841|11.895217|13.620627|36.858105| |1.464030|1.646452|1.659167|2.544707|1.869348|3.008244|2.133581|2.094271|2.328470|2.750055|2.837172|2.444556|3.102924|5.392685|5.099124|8.033910|7.950867|13.887568|36.858105| |1.428361|1.597953|1.619534|2.471189|1.820517|2.944801|2.068095|2.055644|2.285230|2.642277|2.663554|2.321508|2.969367|5.219744|4.515021|6.777922|6.909790|7.950633|13.600498|36.858105| |1.478153|1.661124|1.707051|2.626136|1.957194|3.163354|2.252623|2.276567|2.573632|2.975894|2.915520|2.507453|3.399677|6.282701|5.095792|7.125643|7.923154|6.838073|7.890091|13.876474|36.858105| |1.581401|1.799448|1.872567|2.936486|2.220229|3.557381|2.631548|2.686008|3.137767|3.777487|3.620637|2.976450|4.531206|9.506003|7.760102|9.485096|13.729312|7.866046|6.832696|7.946845|13.610496|36.858105| |1.614507|1.838655|1.949216|3.073126|2.368896|3.815323|2.844097|3.004560|3.606590|4.239692|3.808746|3.125250|5.155040|11.033785|6.755030|8.424866|7.881329|5.156742|4.568583|5.216379|7.940569|13.786213|53.358707| |1.701997|1.956641|2.109848|3.387844|2.677683|4.295950|3.335333|3.637823|4.655813|5.698789|4.693675|3.664069|7.596009|18.801247|7.909440|9.666646|7.001598|4.625278|3.873565|4.071017|5.364393|8.344935|20.425111|36.858105| |1.697638|1.935635|2.138252|3.407484|2.775836|4.569920|3.429399|4.031845|5.272893|5.443906|4.167446|3.475420|6.396790|9.667818|4.758787|6.857311|4.239103|3.233195|2.862070|3.033770|3.789226|4.848127|9.843326|10.740668|388.023441| |1.559288|1.747492|1.899993|2.940280|2.325115|3.873274|2.718799|3.053293|3.604190|3.661021|3.111782|2.741556|4.062175|6.433023|3.717523|5.439032|3.714231|2.954822|2.771307|3.102789|3.990895|4.632270|9.399719|6.988969|74.906602|36.858105| |1.507241|1.669198|1.830376|2.787265|2.221205|3.785125|2.530923|2.889089|3.298647|3.158260|2.698799|2.464329|3.354924|4.889109|2.926870|4.484344|2.874733|2.393389|2.270287|2.500416|3.049378|3.381596|6.062680|4.640828|49.877710|12.524292|36.858105| |1.538632|1.703036|1.892955|2.884105|2.342051|4.049610|2.667961|3.141968|3.590748|3.280207|2.744805|2.531660|3.413994|4.696412|2.785550|4.357375|2.648672|2.222742|2.082254|2.240880|2.666927|2.994413|5.206027|4.216256|47.662950|7.979358|15.938662|73.516695| |1.409700|1.543879|1.673461|2.506840|1.964163|3.361142|2.185458|2.429123|2.687994|2.606039|2.305609|2.139194|2.744882|4.043125|2.535374|3.928972|2.567759|2.196172|2.136675|2.390184|2.880615|3.039005|5.181344|3.721433|34.178928|7.959341|13.987373|14.901802|53.358707| |1.334391|1.444755|1.565207|2.309909|1.805995|3.133192|1.968459|2.179366|2.355392|2.249805|2.015291|1.904192|2.331240|3.345364|2.142889|3.394080|2.159223|1.890593|1.850750|2.046468|2.391980|2.484464|4.046113|2.936789|26.009493|5.057746|7.638187|11.542900|18.466438|36.858105| |1.336327|1.440682|1.575001|2.312175|1.826084|3.213688|1.973162|2.212788|2.365977|2.204622|1.963437|1.875369|2.252601|3.134522|2.001572|3.215956|1.976292|1.739015|1.685752|1.830334|2.106542|2.217749|3.570607|2.675232|24.143623|4.222654|6.300481|11.719072|10.531098|13.669022|36.858105| |1.254105|1.338044|1.455901|2.109636|1.655441|2.937370|1.759869|1.950609|2.050876|1.914323|1.729997|1.670208|1.942936|2.686355|1.747681|2.843262|1.730685|1.547270|1.509527|1.630512|1.844512|1.917720|3.008157|2.240377|19.390459|3.240533|4.326771|8.015780|6.979960|7.908854|13.776627|36.858105| |1.182850|1.255775|1.352383|1.948320|1.511314|2.669589|1.598320|1.743907|1.826798|1.732088|1.586341|1.532687|1.764350|2.470222|1.632086|2.658201|1.638783|1.480264|1.460928|1.587986|1.784283|1.822002|2.815418|2.056080|17.175327|2.905176|3.667577|6.421205|6.164819|6.796762|7.905874|13.767723|36.858105| |1.180977|1.257800|1.345487|1.945789|1.498985|2.621652|1.594687|1.726230|1.820456|1.752105|1.611826|1.547033|1.799520|2.566505|1.704023|2.753191|1.736459|1.568544|1.562536|1.720781|1.945254|1.958752|3.027270|2.165090|17.788608|3.134482|3.880072|6.388304|7.026123|7.856729|6.874054|7.990844|13.789053|36.858105| |1.248843|1.341896|1.437790|2.101294|1.622161|2.812452|1.748289|1.900177|2.030369|1.966671|1.795689|1.705862|2.037457|2.949357|1.937177|3.087775|1.985488|1.769815|1.761064|1.961676|2.261678|2.282929|3.604790|2.550870|21.255264|4.001097|5.127939|7.862953|10.756966|13.658296|7.978644|6.944648|7.965804|13.789150|36.858105| |1.221748|1.314687|1.391514|2.036472|1.553000|2.662794|1.678896|1.794268|1.923756|1.910084|1.768488|1.668532|1.999279|2.974128|1.991161|3.149926|2.099430|1.886346|1.915573|2.184287|2.528511|2.463680|3.824711|2.594401|20.424986|3.931004|4.425215|6.477534|8.711447|6.955785|4.742181|4.237310|4.778384|7.078795|10.865771|448.794386| |17.560213|8.789495|5.478824|5.625660|3.261924|5.476697|2.713587|2.310547|2.027083|2.002854|2.249885|2.659291|1.742342|2.296259|1.668841|3.021989|1.581976|1.531007|1.443033|1.404128|1.441632|1.531091|2.108221|1.619460|11.365399|1.478673|1.423573|2.567286|1.822293|1.267578|1.263504|1.188411|1.126986|1.129351|1.193176|9.432875|0.500000| |17.542485|8.771247|6.808475|6.268796|3.654686|6.308640|2.921547|2.515631|2.162008|2.083269|2.297261|2.737802|1.794703|2.353954|1.679215|3.003167|1.587790|1.514666|1.427461|1.404654|1.460519|1.556366|2.176820|1.680094|12.039146|1.570589|1.529789|2.777658|1.956175|1.366957|1.371928|1.291247|1.218627|1.214652|1.281062|10.030939|0.301770|0.500000| |17.545026|8.778911|6.813727|6.270368|3.729291|6.584198|2.941842|2.512619|2.153112|2.078686|2.305143|2.763946|1.788865|2.311027|1.657868|3.010354|1.549651|1.485043|1.388964|1.352398|1.398960|1.499368|2.087100|1.623676|11.583871|1.490272|1.447886|2.642904|1.840938|1.285128|1.294080|1.218214|1.146901|1.140184|1.201618|9.395369|0.301774|0.301605|0.500000| |8.865714|17.493894|8.860035|9.659582|4.728980|7.168565|3.848586|3.074668|2.634803|2.624914|3.059857|3.824725|2.203817|2.912602|2.100338|3.773898|1.971305|1.876559|1.745177|1.699066|1.765864|1.905236|2.639443|2.045821|14.247518|1.823626|1.729011|3.107811|2.183374|1.494140|1.478437|1.368966|1.289100|1.298722|1.391077|11.015572|0.213107|0.210914|0.173018|0.500000| |8.835826|17.536016|8.897736|9.701943|4.906542|7.595002|3.904022|3.074740|2.622901|2.619787|3.083754|3.905277|2.195841|2.836020|2.061352|3.792129|1.901728|1.822758|1.677616|1.610326|1.661775|1.805422|2.486935|1.948828|13.527170|1.703183|1.615185|2.925864|2.028700|1.390508|1.383706|1.284024|1.206132|1.209942|1.292229|10.199239|0.212209|0.172694|0.210417|0.303192|0.500000| |6.828234|8.836618|17.629449|12.607592|7.278910|13.350077|4.679490|3.766892|2.991251|2.783029|3.102102|3.994639|2.279938|2.854088|1.998189|3.627404|1.816388|1.700336|1.560116|1.518696|1.596982|1.751870|2.482931|1.982476|14.390452|1.791883|1.738996|3.221596|2.163529|1.495342|1.515443|1.407431|1.304989|1.291493|1.373391|10.618072|0.139948|0.167721|0.202304|0.173552|0.212993|0.500000| |6.902382|8.829007|17.514137|12.359270|6.687532|11.365986|4.551524|3.747884|2.994535|2.773969|3.057557|3.877624|2.278166|2.918140|2.023796|3.593985|1.868064|1.736040|1.607343|1.586113|1.681826|1.834523|2.623295|2.075498|15.207163|1.927153|1.878333|3.460850|2.348442|1.623460|1.640050|1.519941|1.410460|1.399241|1.491251|11.525009|0.140770|0.204919|0.170199|0.210462|0.173738|0.303707|0.500000| |4.667007|7.300540|9.070744|26.078101|9.433766|10.952272|7.471089|4.980581|3.973613|3.933137|4.872035|7.259514|3.037332|3.887850|2.723564|4.887067|2.449975|2.252556|2.030428|1.969051|2.092272|2.343680|3.314660|2.667226|18.645432|2.268933|2.117224|3.844224|2.594198|1.740790|1.723495|1.565030|1.451307|1.460602|1.586922|12.463268|0.112077|0.120343|0.114771|0.216360|0.188974|0.181114|0.201916|0.500000| |2.551504|3.021940|3.858615|6.607906|7.219496|13.403740|8.962028|17.754330|8.901376|5.628977|4.960575|5.664889|4.089316|4.567423|2.847675|4.971662|2.434266|2.123484|1.889925|1.871130|2.067075|2.393511|3.653367|3.178715|26.004221|2.877912|2.828416|5.593647|3.259633|2.187854|2.264589|2.010410|1.782825|1.743698|1.901946|14.202425|0.062989|0.070094|0.069904|0.081325|0.081166|0.106029|0.106042|0.123093|0.500000| |2.005775|2.331691|2.725344|4.527512|4.139176|6.991468|5.650253|8.953792|17.718567|8.908911|5.651883|4.967291|7.014353|6.780066|3.784448|6.376432|3.071806|2.554036|2.220146|2.205760|2.503972|3.031767|4.857901|4.631395|41.636831|3.875920|3.653742|7.362519|3.953619|2.545772|2.593472|2.225703|1.954794|1.932667|2.159333|16.156732|0.051222|0.054874|0.054505|0.064644|0.064134|0.073726|0.074220|0.091670|0.215493|0.500000| |2.287904|2.801667|2.997535|5.254148|4.077556|5.966259|5.638762|4.960564|5.657041|8.904081|17.746283|8.948426|6.975286|8.685309|6.614054|13.381798|4.757909|4.073683|3.224724|2.932177|3.147494|3.941942|5.339308|4.676293|27.242861|2.958913|2.526421|4.481943|2.982646|1.913436|1.845100|1.633193|1.512004|1.547426|1.724187|13.831798|0.060220|0.060169|0.060504|0.080627|0.081556|0.077658|0.076368|0.119228|0.107709|0.124149|0.500000| |3.215460|4.325202|4.753313|9.759660|6.858076|8.657763|8.875915|5.648966|4.968359|5.648217|8.979019|17.722418|4.095361|5.060530|3.635290|6.848793|3.072183|2.798030|2.411523|2.265788|2.398228|2.786380|3.865898|3.210256|21.183586|2.447997|2.207751|3.988642|2.658422|1.752424|1.719773|1.546118|1.431722|1.449230|1.589348|12.587187|0.082334|0.082126|0.083812|0.123058|0.129247|0.118113|0.112360|0.239120|0.124301|0.107787|0.217485|0.500000| |1.787484|2.080124|2.262778|3.716006|3.046990|4.891357|3.990364|4.334936|5.938287|8.909519|6.764273|4.627351|17.689875|12.656702|7.762881|15.089114|4.901750|3.939137|3.102936|2.876955|3.180838|4.130451|5.939442|5.774507|34.134660|3.379921|2.862048|5.167259|3.279550|2.083323|2.020246|1.768481|1.618807|1.649081|1.847696|14.639791|0.047051|0.047824|0.048310|0.058533|0.059498|0.060817|0.059520|0.078904|0.100270|0.153363|0.191832|0.109226|0.500000| |1.740867|2.007034|2.226891|3.625735|3.045376|5.001161|3.975526|4.784327|7.328176|8.872658|5.577487|4.184031|17.649870|12.429846|5.866704|9.391199|4.299652|3.362911|2.798170|2.741879|3.167031|4.098593|6.644435|7.149065|52.628242|4.403725|3.715886|6.911811|4.032655|2.510468|2.450052|2.093822|1.879536|1.904500|2.161173|16.753377|0.045465|0.047264|0.047041|0.056521|0.056208|0.059786|0.059918|0.076166|0.113736|0.225710|0.140353|0.096300|0.304238|0.500000| |1.577856|1.799121|1.818268|2.837504|2.098668|3.345185|2.445509|2.370126|2.666407|3.295957|3.509226|2.907087|3.783375|6.405763|7.126800|13.267013|8.928839|17.751437|8.909134|5.633216|4.936858|5.632918|5.701293|4.009656|20.854892|2.624673|2.177548|3.655396|2.714916|1.739033|1.619115|1.450208|1.384899|1.456087|1.627606|13.770036|0.043067|0.042193|0.041809|0.052462|0.051773|0.047769|0.048094|0.062829|0.058293|0.069202|0.118067|0.080005|0.111703|0.090324|0.500000| |1.408347|1.573427|1.570893|2.386065|1.740432|2.812702|1.959276|1.909562|2.093675|2.440394|2.544344|2.235329|2.703563|4.488467|4.134663|6.920417|5.644069|8.952488|17.730565|8.861565|5.632655|4.932139|4.944470|3.189370|17.546923|2.398679|2.014389|3.312915|2.605105|1.682554|1.542276|1.394285|1.355670|1.446337|1.614024|14.079576|0.038789|0.038060|0.037164|0.046263|0.044712|0.041155|0.042187|0.052714|0.048180|0.055459|0.080128|0.062049|0.076155|0.068244|0.213676|0.500000| |1.353392|1.500456|1.512422|2.281047|1.671820|2.721954|1.871130|1.857822|2.037953|2.309453|2.330652|2.074383|2.549781|4.311789|3.597933|5.593589|4.970761|5.659641|8.882111|17.713375|8.984557|5.650052|5.740721|3.383955|18.953240|2.799682|2.314751|3.685165|3.076999|1.961932|1.749754|1.572849|1.547450|1.686282|1.910952|17.337515|0.037101|0.037080|0.035596|0.044337|0.041898|0.039448|0.041309|0.050304|0.047455|0.054922|0.070374|0.056607|0.068786|0.066362|0.123948|0.214516|0.500000| |1.433056|1.599170|1.648216|2.514380|1.876130|3.055384|2.136581|2.178584|2.443231|2.746505|2.656411|2.329803|3.084799|5.486882|4.152086|5.965391|5.652192|4.935894|5.609517|8.901054|17.742405|8.922868|9.957683|4.924576|26.764562|4.308347|3.285508|4.976722|4.347432|2.624174|2.261418|1.972801|1.924314|2.130180|2.509728|23.222265|0.038781|0.039591|0.037666|0.047238|0.044110|0.042831|0.045503|0.055398|0.055618|0.066853|0.077737|0.061710|0.079176|0.081925|0.107288|0.123653|0.214707|0.500000| |1.618814|1.818196|1.963047|3.035183|2.360831|3.890146|2.738425|2.993185|3.432639|3.537528|3.125135|2.788947|3.778437|6.151610|3.689107|5.374456|3.818487|3.053764|2.908960|3.324903|4.356765|4.918294|9.865767|6.604732|56.450392|17.626757|8.854006|10.938631|9.747389|4.742648|3.887411|3.061386|2.809320|3.081583|3.934378|32.545918|0.042741|0.045435|0.042652|0.053268|0.048992|0.050895|0.055536|0.065869|0.077899|0.098674|0.083212|0.069941|0.088067|0.108259|0.074496|0.069633|0.083581|0.134350|0.500000| |1.450383|1.616451|1.739002|2.671852|2.096406|3.502234|2.432796|2.692197|3.169448|3.299343|2.845257|2.488988|3.807757|6.190796|3.714042|5.407848|3.841549|3.070779|2.920945|3.331694|4.357047|4.932684|9.845969|6.625829|56.412669|17.623038|8.862040|10.996638|9.684817|4.730411|3.878324|3.057010|2.806744|3.079203|3.929555|32.528269|0.038431|0.040442|0.038601|0.046781|0.044043|0.045778|0.048714|0.057216|0.070435|0.094209|0.076903|0.062520|0.090783|0.114595|0.074938|0.069909|0.083655|0.133654|0.303473|0.500000| |1.385327|1.517307|1.628628|2.438058|1.888938|3.206978|2.101135|2.295708|2.537682|2.518835|2.261963|2.088860|2.676417|4.055746|2.588402|3.977293|2.692619|2.309221|2.280421|2.605034|3.182190|3.268331|5.544268|3.782689|32.260119|7.845196|9.481436|10.877582|26.075921|9.356421|5.749324|4.286151|4.061344|4.885083|7.556749|62.778688|0.036727|0.039174|0.036800|0.044024|0.040776|0.042813|0.046499|0.051872|0.062160|0.074812|0.060518|0.053417|0.065687|0.078862|0.057614|0.056520|0.068899|0.101029|0.216895|0.214260|0.500000| |1.398961|1.515534|1.673504|2.472782|1.978767|3.498968|2.152903|2.461530|2.647746|2.418331|2.119772|2.022811|2.457976|3.357325|2.109802|3.394645|2.047671|1.787109|1.711636|1.841062|2.122613|2.277425|3.705356|2.852844|26.868813|4.476102|6.951904|15.358223|9.609916|8.940462|17.837762|8.936233|5.643692|4.961923|5.672898|31.414860|0.036564|0.039833|0.037720|0.043024|0.040438|0.044847|0.048380|0.050950|0.070604|0.082194|0.054735|0.051017|0.060725|0.075319|0.046402|0.043386|0.048456|0.062497|0.111069|0.110745|0.144079|0.500000| |1.246000|1.324278|1.447058|2.086735|1.645147|2.947534|1.736244|1.932140|2.014278|1.859950|1.680640|1.633485|1.873500|2.551817|1.662403|2.727821|1.631003|1.463554|1.421200|1.520676|1.706762|1.784535|2.779024|2.095064|18.111794|2.898705|3.767056|7.292432|5.662770|5.646624|8.982709|17.724895|8.920537|5.667419|4.989765|27.453223|0.032722|0.035669|0.033764|0.037433|0.035281|0.039076|0.042029|0.042702|0.055930|0.060967|0.043894|0.041993|0.047584|0.056209|0.038359|0.036596|0.040688|0.050192|0.075841|0.075737|0.098191|0.216916|0.500000| |1.128701|1.190915|1.278888|1.829411|1.414722|2.510164|1.483985|1.610238|1.673803|1.587380|1.463600|1.421828|1.610927|2.243671|1.495167|2.453454|1.500191|1.366500|1.351268|1.461019|1.624449|1.652815|2.521437|1.843478|15.162167|2.496960|3.046413|5.398785|4.910768|4.913600|5.628394|8.888527|17.734293|8.933178|5.660502|31.705155|0.029917|0.032337|0.030470|0.033879|0.031776|0.034391|0.037072|0.037739|0.045874|0.049542|0.038825|0.037069|0.041360|0.047481|0.035684|0.035032|0.039702|0.048403|0.067430|0.067384|0.092108|0.124066|0.213940|0.500000| 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