Version2.0 2020-07-29T02:01:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 17-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(cccc1Cl)n2c(nnc2SCc3cccc(c3)F)CNC(=O)C45CC6CC(C4)CC(C6)C5 C39708448 RHF 6-31G(d) (6D,7F) Cc1c(cccc1Cl)n2c(nnc2SCc3cccc(c3)F)CNC(=O)C45CC6CC(C4)CC(C6)C5 C01[X(C28H30Cl1F1N4O1S1)] 192 C1 608 Fc1cccc(c1)CSc1nnc(n1c1cccc(c1C)Cl)CNC(=O)C12CC3CC(C2)CC(C1)C3 Fc1cccc(c1)CSc1nnc(n1c1cccc(c1C)Cl)CNC(=O)C12CC3CC(C2)CC(C1)C3 Cc1c(Cl)cccc1n2c(CNC(=O)C34CC5CC(CC(C5)C3)C4)nnc2SCc6cccc(F)c6 InChIKey=MXWWNHHMCGYZTQ-UHFFFAOYSA-N InChI=1S/C28H30ClFN4OS/c1-17-23(29)6-3-7-24(17)34-25(32-33-27(34)36-16-18-4-2-5-22(30)11-18)15-31-26(35)28-12-19-8-20(13-28)10-21(9-19)14-28/h2-7,11,19-21H,8-10,12-16H2,1H3,(H,31,35) InChI=1/C28H30ClFN4OS/c1-17-23(29)6-3-7-24(17)34-25(32-33-27(34)36-16-18-4-2-5-22(30)11-18)15-31-26(35)28-12-19-8-20(13-28)10-21(9-19)14-28/h2-7,11,19-21H,8-10,12-16H2,1H3,(H,31,35)/f/h31H Cc1c(cccc1Cl)n2c(nnc2SCc3cccc(c3)F)CNC(=O)C45CC6CC(C4)CC(C6)C5 C01[X(C28H30Cl1F1N4O1S1)] 192 C01 608 Fc1cccc(c1)CSc1nnc(n1c1cccc(c1C)Cl)CNC(=O)C12CC3CC(C2)CC(C1)C3 O=C([C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)NCC1=[N][N][C](N1[C]1[CH][CH][CH][C]([C]1C)Cl)SC[C]1[CH][CH][CH][C]([CH]1)F C[C]1[C](Cl)[CH][CH][CH][C]1N2[C]([N]N=C2CNC(=O)C34CC5CC(CC(C5)C3)C4)SC[C]6[CH][CH][CH][C](F)[CH]6 InChIKey=MXWWNHHMCGYZTQ-CZZWREAISA-N InChI=1S/C28H30ClFN4OS/c1-17-23(29)6-3-7-24(17)34-25(32-33-27(34)36-16-18-4-2-5-22(30)11-18)15-31-26(35)28-12-19-8-20(13-28)10-21(9-19)14-28/h2-7,11,19-21H,8-10,12-16H2,1H3,(H,31,35)/t19-,20+,21-,28- InChI=1/C28H30ClFN4OS/c1-17-23(29)6-3-7-24(17)34-25(32-33-27(34)36-16-18-4-2-5-22(30)11-18)15-31-26(35)28-12-19-8-20(13-28)10-21(9-19)14-28/h2-7,11,19-21H,8-10,12-16H2,1H3,(H,31,35)/t19-,20+,21-,28-/f/h31H 4041.8738591792 -2326.9038062 1-A 30684.7651 138 470 608 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1293.10 1298.88 1301.53 1403.27 1404.31 1406.41 1414.73 1437.37 1458.82 1466.11 1467.51 1468.67 1504.16 1513.03 1535.62 1539.70 1544.66 1573.74 1576.45 1593.84 1601.22 1609.98 1617.82 1637.66 1647.84 1651.44 1671.83 1681.05 1700.04 1705.15 1706.29 1735.35 1745.49 1750.08 1760.43 1762.66 1768.51 1773.74 1793.25 1808.36 1826.49 1833.51 1841.92 1897.81 1898.57 1899.46 1929.85 1951.24 1967.29 1986.54 2017.01 2017.94 2022.18 2041.65 2062.16 2080.23 2087.99 2090.00 2095.12 2096.34 2136.99 2140.01 2140.06 2151.08 2185.92 2188.79 2190.81 2210.96 2213.55 2221.28 2258.95 2283.47 2318.51 2324.69 2336.67 2344.96 2347.32 2348.13 2354.55 2366.36 2368.36 2370.26 2374.40 2387.72 2398.59 2402.15 2431.36 2458.88 2548.88 2564.40 2585.44 2589.04 2617.66 2777.68 4587.20 4587.71 4587.98 4597.73 4602.42 4620.29 4626.07 4634.13 4635.32 4636.62 4642.57 4646.99 4648.12 4652.41 4657.29 4662.58 4684.76 4704.07 4729.22 4730.83 4797.96 4814.62 4844.75 4866.94 4870.02 4878.69 4888.21 4897.90 4906.02 5610.33 0.580722 0.610479 0.611423 0.512345 -2326.323085 -2326.293328 -2326.292383 -2326.391461 3.323092D-04 MUNgauss RevisionA2.0 retrievium 29-Jul-2020 DUDE Cc1c(cccc1Cl)n2c(nnc2SCc3cccc(c3)F)CNC(=O)C45CC6CC(C4)CC(C6)C5 C39708448 RHF 6-31G(d) (6D,10F) C1 524.181290 |X|Y|Z| 152.529169 77.571010 37.448021 76.236054 32 6 7 16 27 4 1 |36.858105| |12.618765|36.858105| |7.471459|13.650519|36.858105| |4.974549|7.825532|13.741104|36.858105| |4.401850|6.759694|7.951412|13.804211|36.858105| |4.993158|7.825922|6.918490|7.983088|13.774749|36.858105| |7.528654|13.667844|8.048134|6.934834|7.967235|13.787576|36.858105| |6.246449|7.003178|4.774447|4.241597|4.788661|7.102253|10.917617|448.794386| |6.502003|7.778091|13.326158|7.905138|5.171864|4.554933|5.160276|29.583746|53.358707| |5.281798|5.614423|7.573573|5.711435|4.137985|3.708494|4.111101|25.395766|18.961743|36.858105| |4.328425|4.308692|5.356848|4.369638|3.344933|3.034570|3.321562|21.615737|11.944437|14.907404|53.358707| |4.333114|4.305361|5.345884|4.357973|3.337513|3.029584|3.318025|21.606428|11.904403|8.883755|18.939820|53.358707| |5.311290|5.624469|7.570318|5.692477|4.126488|3.702708|4.111221|25.417076|18.975501|8.868618|12.148962|20.253242|36.858105| |4.655153|4.980504|5.924583|5.001529|3.967694|3.643346|3.968357|25.276595|9.450264|4.948504|6.724640|9.519469|10.846184|388.023441| |3.473126|3.458854|3.897427|3.463087|2.895920|2.699403|2.896524|19.774280|6.389646|3.981219|6.054407|8.892082|6.985297|73.988413|36.858105| |2.962796|2.962544|3.206532|2.960051|2.597288|2.460749|2.601391|18.324422|4.852073|3.066310|4.482714|5.865411|4.656246|49.685853|12.621459|36.858105| |2.546023|2.623672|2.874837|2.777761|2.478258|2.311736|2.370764|16.697495|4.240916|2.719974|3.930588|4.930280|3.876939|38.475168|7.564239|13.708857|36.858105| |2.241086|2.296934|2.452334|2.395233|2.203664|2.088773|2.129229|15.380649|3.514198|2.286332|3.257765|3.920208|3.064584|28.813941|5.021998|7.912817|13.751454|36.858105| |2.211814|2.218262|2.302996|2.213023|2.062554|2.000205|2.068182|15.302484|3.268054|2.134260|3.025596|3.596247|2.809755|26.068007|4.428073|6.821199|7.916973|13.758093|36.858105| |2.472887|2.416847|2.469518|2.307923|2.134426|2.098290|2.219831|16.544004|3.534266|2.295237|3.265093|3.927662|3.078779|29.010149|5.050168|7.986034|6.951691|8.038523|13.825953|36.858105| |2.901721|2.803774|2.896824|2.637978|2.376583|2.321779|2.495654|18.215938|4.265928|2.729365|3.934365|4.929114|3.892173|38.725587|7.582397|13.712589|7.943402|6.877196|7.890075|13.832266|36.858105| |2.339289|2.244308|2.238360|2.081769|1.954309|1.956079|2.085795|15.981574|3.164196|2.080495|2.938230|3.444976|2.680669|24.042362|3.935460|5.302325|4.680848|5.317058|8.169457|14.329255|8.182080|97.533100| |4.715882|5.069875|6.166606|5.146506|4.018281|3.664334|3.991737|25.237855|10.246419|12.715336|10.484145|7.193766|5.286464|25.886120|3.034364|2.477091|2.252082|1.948120|1.835892|1.955530|2.260026|4.058380|36.858105| |3.667706|3.713405|4.248880|3.756873|3.104892|2.875441|3.083838|20.740481|7.012162|7.969067|9.489997|6.347317|4.243037|21.761135|2.733691|2.254238|2.063668|1.798857|1.698991|1.803776|2.068172|3.764911|13.244461|53.358707| |3.126509|3.168015|3.472977|3.200496|2.780986|2.616428|2.762255|19.181921|5.283237|5.186900|6.353026|4.768940|3.281254|18.008600|2.289997|1.944388|1.802952|1.597587|1.517579|1.601420|1.806340|3.375041|7.860434|19.174042|36.858105| |3.127505|3.239591|3.477043|3.271455|2.926730|2.782148|2.907782|20.286760|4.975800|4.573924|5.340426|4.214739|3.023627|17.074822|2.130402|1.835693|1.711667|1.528727|1.456640|1.532934|1.715734|3.244231|7.046187|11.669892|15.820849|73.516695| |2.576859|2.559302|2.764129|2.581436|2.285351|2.164348|2.270937|16.219270|4.216151|3.949557|5.297268|4.145471|2.777314|15.729270|2.077524|1.784478|1.664576|1.485933|1.414904|1.488337|1.666166|3.150988|5.009310|10.564638|12.442617|14.070398|36.858105| |2.264307|2.262032|2.391351|2.279019|2.080240|1.992858|2.068123|15.086246|3.501733|3.103905|4.078146|3.356081|2.312143|13.577299|1.790294|1.569122|1.476612|1.334554|1.276731|1.336675|1.478135|2.850146|3.867503|6.910089|7.608954|12.420363|12.365377|36.858105| |1.955979|1.937275|2.037535|1.950137|1.792799|1.722556|1.783084|13.183298|2.991144|2.592679|3.517961|2.975725|2.032036|12.171317|1.639964|1.451393|1.372260|1.248158|1.196763|1.249497|1.372887|2.673905|3.038653|5.216143|4.923830|7.965146|7.545600|12.408401|36.858105| |1.962471|1.899278|1.973249|1.855756|1.701922|1.652311|1.734655|12.972368|2.925257|2.530369|3.503097|2.982977|2.016033|12.104626|1.651735|1.461739|1.371310|1.248746|1.204851|1.266020|1.393349|2.722506|2.884578|4.932077|4.372042|6.880299|6.431531|7.594181|12.405878|36.858105| |2.152184|2.061875|2.164019|2.005293|1.806161|1.743558|1.846328|13.651953|3.299343|2.924811|4.182687|3.492304|2.299291|13.538824|1.867314|1.629588|1.516595|1.369044|1.317885|1.391488|1.546116|2.978774|3.269495|5.848399|4.900152|7.112782|7.537939|6.482379|7.602043|12.408168|36.858105| |2.586656|2.468360|2.603985|2.368709|2.101366|2.025808|2.169055|15.803446|4.028657|3.729743|5.237150|4.159177|2.732272|15.564530|2.099554|1.802260|1.661518|1.485823|1.427323|1.515408|1.701787|3.229251|4.381838|8.631788|7.519591|9.762124|12.307863|7.591517|6.473849|7.586590|12.396331|36.858105| |2.004257|1.952938|2.089650|1.966221|1.761012|1.675330|1.751401|12.808033|3.216033|2.841508|4.170182|3.513989|2.280889|13.472849|1.887038|1.646075|1.546536|1.392817|1.329887|1.393247|1.545608|2.962795|3.083495|5.463051|4.361493|6.315100|6.439892|5.377194|6.483406|7.595674|12.398825|7.596818|36.858105| |1.995933|1.992920|2.164770|2.078069|1.861137|1.747692|1.800200|13.004112|3.301184|2.927280|4.190160|3.498652|2.302111|13.555307|1.868249|1.630374|1.547047|1.391318|1.318416|1.370639|1.516982|2.899123|3.269928|5.847054|4.900302|7.114209|7.537890|6.482377|7.601984|6.475372|7.586820|6.465897|12.398827|36.858105| |1.841964|1.845034|1.973818|1.912915|1.747629|1.655825|1.696275|12.413319|2.926539|2.531966|3.507480|2.986926|2.017931|12.116388|1.652381|1.462305|1.393672|1.265561|1.205256|1.250274|1.371935|2.661359|2.884875|4.931275|4.372155|6.881598|6.431523|7.594225|12.405839|7.595344|6.475424|5.363179|7.595708|12.408127|36.858105| |2.327078|2.352301|2.605298|2.491626|2.189591|2.032318|2.095151|14.819875|4.032016|3.734875|5.251865|4.169929|2.737016|15.589632|2.100883|1.803324|1.701896|1.514485|1.427998|1.488531|1.663082|3.128256|4.382884|8.627459|7.520161|9.765866|12.307693|7.591560|6.473830|5.363145|6.465866|7.570119|7.596758|12.396255|7.586596|36.858105| |17.576133|8.879700|5.838053|4.274439|3.957873|4.595146|6.729722|52.007384|7.038295|4.667709|5.247582|5.015443|4.238460|26.270495|2.928466|2.546096|2.226386|1.989456|1.972494|2.187315|2.514844|4.720082|4.586792|4.980294|3.225750|5.862870|2.648462|2.361060|2.025539|2.038467|2.211344|2.672108|2.022268|2.008279|1.876299|2.333836|0.500000| |17.579282|8.888551|5.861400|4.286637|3.962141|4.590803|6.710013|51.597641|7.070696|4.231506|5.025419|5.276321|4.717595|32.936295|3.502648|3.088508|2.624109|2.337718|2.349969|2.669921|3.123983|5.759279|3.746515|4.168272|2.663227|4.723139|2.262465|2.013676|1.770134|1.786293|1.950306|2.292629|1.827463|1.809014|1.675956|2.071594|0.302779|0.500000| |17.650721|8.839748|7.145474|4.703861|3.936717|4.151963|5.561249|37.069795|10.481730|6.454445|7.344322|7.354683|6.497715|36.536492|3.917978|3.200054|2.693994|2.331344|2.288772|2.580140|3.099089|5.441927|5.286099|5.636669|3.388536|5.813978|2.797942|2.395447|2.071515|2.098216|2.349302|2.859205|2.189398|2.157419|1.958270|2.531357|0.301488|0.301993|0.500000| |4.073938|5.612240|8.956423|17.735994|8.901192|5.656993|4.985803|27.479278|9.996918|5.735203|6.203161|6.185825|5.714872|34.856734|3.535607|2.993771|2.870243|2.448015|2.218532|2.280495|2.602809|4.578638|5.065330|5.207234|3.235929|5.773240|2.637614|2.310588|1.985890|1.874667|2.034053|2.387616|2.029442|2.171174|1.980243|2.619037|0.099171|0.099513|0.112431|0.500000| |3.526748|4.894593|5.649295|8.922758|17.739449|8.924445|5.659928|31.749502|5.706696|3.532519|4.022564|4.013589|3.521873|24.548322|2.631634|2.405171|2.350057|2.114196|1.965931|2.002229|2.194833|4.125365|3.486280|3.816193|2.563299|4.811847|2.142443|1.975332|1.715534|1.616285|1.701651|1.954302|1.673476|1.783394|1.685752|2.081408|0.090198|0.090287|0.089761|0.213787|0.500000| |4.090892|5.611394|4.978547|5.660948|8.900064|17.752332|8.958642|54.830294|4.933861|3.077700|3.530204|3.524917|3.073079|21.953659|2.380993|2.219826|2.111103|1.941794|1.872446|1.950194|2.119771|4.132276|3.092534|3.426359|2.344010|4.463866|1.972680|1.847168|1.609984|1.542857|1.611468|1.849580|1.548187|1.615225|1.546151|1.855282|0.108705|0.108517|0.095846|0.124046|0.214196|0.500000| |3.123173|3.179709|3.696451|3.392944|2.808819|2.559527|2.688331|18.227864|6.195503|4.032710|6.362189|9.405489|6.666075|56.497218|17.655752|8.845531|7.121724|4.717461|3.964937|4.227194|5.656162|7.569369|3.070913|3.831642|2.349208|3.848438|2.147877|1.839218|1.690319|1.693602|1.923534|2.152666|1.975269|1.968648|1.724116|2.216614|0.074633|0.085263|0.097661|0.099876|0.071976|0.062896|0.500000| |3.595929|3.399584|3.712845|3.195726|2.691051|2.560460|2.809501|19.576630|6.220356|4.040856|6.356922|9.360234|6.674028|56.490661|17.652723|8.838262|5.655464|4.208787|3.963990|4.731602|7.121220|8.761661|3.077416|3.836200|2.351221|3.852718|2.148411|1.839755|1.690248|1.723286|1.967152|2.215579|1.973852|1.923272|1.693588|2.153305|0.084720|0.100984|0.116443|0.089115|0.067509|0.062915|0.302900|0.500000| |2.483546|2.611995|2.941264|2.908244|2.564767|2.338383|2.359802|16.354389|4.377267|2.826061|4.099092|5.128268|3.994380|37.805379|7.014397|8.910618|17.717914|8.922095|5.640411|4.992773|5.647501|8.330979|2.334787|2.915893|1.866908|3.143401|1.722655|1.523893|1.414581|1.404012|1.553526|1.702233|1.597966|1.612688|1.447175|1.781161|0.060557|0.069741|0.073099|0.085725|0.068246|0.059128|0.213894|0.143633|0.500000| |2.034337|2.107826|2.259410|2.250165|2.092100|1.970577|1.979403|14.322488|3.207905|2.109479|2.990750|3.525816|2.736995|24.712471|4.095375|5.637271|8.925136|17.724259|8.940199|5.692214|4.954723|9.617299|1.822617|2.302460|1.514231|2.583982|1.414147|1.277328|1.198463|1.194040|1.302551|1.405895|1.331311|1.336832|1.220250|1.449383|0.050657|0.058482|0.058390|0.064469|0.056545|0.051304|0.111959|0.096981|0.215498|0.500000| |1.999005|2.004707|2.062377|1.998061|1.889321|1.844058|1.896032|14.228696|2.893051|1.908712|2.689270|3.130491|2.431994|21.779995|3.543946|4.927483|5.619107|8.836807|17.743930|8.958935|5.640506|16.711523|1.667728|2.111867|1.399077|2.397498|1.310547|1.191316|1.121172|1.128699|1.227642|1.321750|1.238176|1.227726|1.128764|1.321854|0.050094|0.059040|0.056963|0.055533|0.050412|0.048473|0.090259|0.090380|0.123665|0.212989|0.500000| |3.166569|2.945399|2.971280|2.632416|2.368281|2.351374|2.586417|19.139733|4.403957|2.831501|4.085476|5.092538|3.997424|37.931777|6.961964|8.838641|5.629669|4.955813|5.644758|8.979946|17.731391|16.798837|2.341671|2.917640|1.867832|3.148633|1.720834|1.523034|1.412494|1.443617|1.607262|1.776638|1.591964|1.549637|1.401474|1.699553|0.075982|0.096330|0.095104|0.071080|0.060068|0.059456|0.142545|0.211023|0.123696|0.107581|0.124714|0.500000| |4.195244|4.882713|6.206765|5.840392|4.541055|3.947380|4.063847|25.062746|9.134046|8.949546|8.178888|6.207574|4.750446|24.576702|2.845861|2.366301|2.194972|1.908289|1.785363|1.877649|2.145013|3.886054|17.564733|12.433527|6.984805|12.526923|4.579311|3.731334|2.927059|2.694201|2.960959|3.802435|2.852699|3.130229|2.819684|4.183607|0.113094|0.094887|0.123222|0.165271|0.111061|0.092342|0.080733|0.078203|0.063858|0.050045|0.045224|0.060896|0.500000| |5.558496|5.739816|6.212519|4.937462|4.057826|3.917437|4.476065|28.728803|9.144318|8.945322|8.166617|6.200614|4.747945|24.563886|2.849006|2.368412|2.138498|1.871127|1.786590|1.917455|2.205917|4.024901|17.560938|12.432299|6.964808|12.467860|4.572308|3.724648|2.923425|2.817046|3.128325|4.180250|2.851538|2.958946|2.691600|3.799071|0.159882|0.117412|0.167949|0.126063|0.095921|0.091751|0.078133|0.081051|0.060720|0.048503|0.045270|0.064200|0.304649|0.500000| |3.457192|3.423614|3.929478|3.461637|2.849479|2.635819|2.830345|19.232082|6.806335|7.798209|11.368791|7.127860|4.422303|22.342935|2.907324|2.364046|2.153423|1.864349|1.756229|1.868342|2.156296|3.884824|9.107869|26.088416|9.249596|10.850161|7.278726|4.640932|3.740330|3.657827|4.596946|6.703010|4.455597|4.598252|3.658487|6.707049|0.093904|0.081831|0.111240|0.099438|0.071919|0.064390|0.084284|0.084330|0.062208|0.048568|0.044395|0.062131|0.187865|0.187912|0.500000| |2.199631|2.245698|2.395485|2.332159|2.144138|2.035116|2.078313|15.047963|3.454242|3.022339|3.903561|3.241334|2.262695|13.376184|1.748920|1.539178|1.459472|1.320746|1.258540|1.310177|1.443780|2.786645|3.799384|6.486968|7.015803|12.822528|8.815548|17.565910|8.791133|5.508304|4.847289|5.510843|4.449469|5.721850|6.907971|6.919609|0.063417|0.054368|0.063895|0.066159|0.057124|0.052585|0.050058|0.049413|0.042033|0.035257|0.032661|0.041081|0.106708|0.100521|0.118251|0.500000| |2.341553|2.313508|2.394787|2.260540|2.085795|2.030606|2.127263|15.738412|3.452789|3.020464|3.899378|3.237839|2.260844|13.365234|1.748389|1.538721|1.441587|1.307448|1.258221|1.322666|1.460966|2.834846|3.798927|6.488251|7.015536|12.816912|8.815571|17.565927|8.791092|6.907840|5.721774|6.919468|4.449433|4.847267|5.508311|5.510857|0.069055|0.057730|0.068236|0.062627|0.054703|0.052469|0.049383|0.050071|0.041074|0.034685|0.032659|0.042023|0.100718|0.106492|0.118231|0.304710|0.500000| |1.817124|1.805845|1.883021|1.816848|1.692902|1.635597|1.684272|12.576483|2.719821|2.311076|3.103752|2.670543|1.847199|11.230549|1.509422|1.348335|1.280046|1.171430|1.125936|1.172726|1.280755|2.518404|2.693830|4.430366|4.098370|7.052809|5.501641|8.858024|17.528696|8.825591|5.518238|4.855978|4.854082|5.518214|8.825583|4.855976|0.052512|0.045956|0.052862|0.051194|0.045260|0.042817|0.043060|0.043061|0.036596|0.031331|0.029411|0.036554|0.073170|0.073077|0.087122|0.213436|0.213436|0.500000| |1.774470|1.718514|1.782240|1.686399|1.555538|1.511291|1.580017|11.889455|2.631956|2.239986|3.127423|2.715342|1.836659|11.187584|1.542291|1.376035|1.296644|1.186764|1.146677|1.201559|1.315185|2.590329|2.494319|4.139912|3.526216|5.661260|4.816255|5.505385|8.787563|17.513064|8.801397|5.504954|6.919428|5.720169|6.918252|4.441582|0.050965|0.045320|0.052518|0.047432|0.041254|0.039405|0.043989|0.044665|0.036855|0.031608|0.029935|0.037773|0.065322|0.067591|0.086254|0.123053|0.141113|0.212317|0.500000| |2.006693|1.923439|1.968655|1.839429|1.699233|1.668246|1.763616|13.343107|2.887455|2.475980|3.378495|2.892450|1.976722|11.927382|1.615956|1.434923|1.341070|1.224751|1.187773|1.252598|1.377157|2.706341|2.842994|4.748694|4.223046|6.897832|5.691700|6.916386|8.797172|17.514903|8.797043|6.911782|5.507566|4.841863|5.508179|4.439775|0.058649|0.050741|0.059262|0.051058|0.044656|0.043390|0.045625|0.046949|0.037948|0.032469|0.030947|0.039811|0.073365|0.079182|0.095764|0.141400|0.206885|0.213123|0.302854|0.500000| |2.107576|1.986969|2.061521|1.894710|1.712184|1.666516|1.777894|13.291935|3.144403|2.744865|3.972646|3.384709|2.222958|13.229304|1.846021|1.617652|1.498086|1.356651|1.313822|1.393578|1.547360|2.998717|2.980233|5.123404|4.074301|6.089804|5.495650|4.858493|5.516106|8.818313|17.528650|8.856248|8.820987|5.511295|4.851052|4.851668|0.060216|0.053534|0.064150|0.053056|0.044698|0.042875|0.052520|0.054537|0.042360|0.035764|0.034034|0.044928|0.074349|0.080464|0.113087|0.106823|0.127992|0.123455|0.212637|0.212801|0.500000| |2.709416|2.538181|2.610402|2.347788|2.106113|2.064904|2.238244|16.565074|3.961314|3.595671|4.891270|3.952647|2.654796|15.275891|2.037627|1.760191|1.614683|1.450824|1.403871|1.497964|1.679410|3.213421|4.286691|7.864402|6.930681|9.905751|8.779439|6.918340|5.719625|6.911371|8.790097|17.519476|5.507550|4.838489|4.442294|5.496796|0.079538|0.066513|0.082608|0.064595|0.054083|0.052515|0.057236|0.059941|0.045616|0.038046|0.036181|0.049026|0.102439|0.120581|0.158443|0.141524|0.207430|0.128066|0.141256|0.207156|0.213377|0.500000| |2.780229|2.621090|2.792835|2.497396|2.178389|2.091056|2.257823|16.295728|4.470483|4.249442|6.283840|4.856879|3.085872|17.192123|2.345764|1.982283|1.810248|1.604771|1.539018|1.642742|1.863590|3.485069|4.739170|9.494988|6.839583|8.738241|8.721032|5.495078|4.841506|5.515776|8.834092|17.533005|6.935870|5.705941|4.438981|6.869064|0.078495|0.068320|0.087548|0.070136|0.055872|0.052587|0.067018|0.069570|0.051487|0.041950|0.039368|0.054256|0.109926|0.122403|0.234050|0.122886|0.141174|0.106748|0.123375|0.141548|0.215118|0.303280|0.500000| |1.805725|1.758673|1.868168|1.769528|1.601094|1.529177|1.592882|11.760591|2.841671|2.451319|3.584036|3.105364|2.034009|12.261334|1.732269|1.529417|1.444595|1.310699|1.254900|1.310724|1.443337|2.798505|2.621966|4.445045|3.520814|5.328953|4.820311|4.449151|5.723719|6.920234|8.798428|5.509181|17.516794|8.798488|6.920290|5.509168|0.050631|0.046201|0.054381|0.050672|0.042499|0.039523|0.050309|0.050267|0.041388|0.034919|0.032598|0.041221|0.068243|0.068218|0.098873|0.105909|0.105908|0.127848|0.207504|0.141353|0.212669|0.123119|0.141743|0.500000| |2.084960|2.021842|2.179953|2.035771|1.803654|1.709235|1.793849|13.039544|3.422034|3.046272|4.636206|3.900298|2.471346|14.470972|2.058050|1.778559|1.663769|1.488889|1.418046|1.489018|1.662162|3.153519|3.193393|5.648801|4.205134|5.997027|5.698798|4.450181|4.846247|5.507079|8.789935|6.922099|17.511021|8.789965|5.507096|6.922049|0.057792|0.052890|0.064062|0.058623|0.047432|0.043648|0.060265|0.060206|0.047807|0.039408|0.036527|0.047585|0.080894|0.080887|0.134886|0.105966|0.105965|0.106723|0.141352|0.123094|0.212915|0.141343|0.208085|0.302982|0.500000| |1.872797|1.884554|2.062627|2.002668|1.794186|1.672692|1.709048|12.313094|3.147121|2.748346|3.983589|3.394590|2.227313|13.255583|1.847563|1.618964|1.549242|1.394290|1.314720|1.358374|1.498460|2.863850|2.980786|5.121846|4.074435|6.091318|5.495593|4.858476|5.516050|4.851007|5.511272|4.851669|8.820938|17.528406|8.818214|8.856150|0.051851|0.047491|0.056121|0.058741|0.048108|0.043032|0.054600|0.052514|0.045118|0.037378|0.034037|0.042246|0.080492|0.074312|0.113130|0.127993|0.106822|0.123454|0.127842|0.106668|0.123410|0.106688|0.127799|0.212670|0.212915|0.500000| |1.800555|1.829898|1.969620|1.937953|1.779490|1.674455|1.696213|12.351791|2.889561|2.478537|3.385227|2.898617|1.979786|11.946656|1.616990|1.435839|1.377476|1.252292|1.188436|1.226791|1.342268|2.605750|2.843473|4.747447|4.223201|6.900052|5.691650|6.916404|8.797099|5.508154|4.841864|4.439772|5.507549|8.796958|17.514609|6.911758|0.050827|0.045499|0.052748|0.056075|0.048065|0.043553|0.046972|0.045637|0.039898|0.033665|0.030950|0.037905|0.079263|0.073287|0.095789|0.206890|0.141401|0.213123|0.141340|0.123138|0.106669|0.105798|0.105635|0.141354|0.123093|0.212798|0.500000| |1.682450|1.677346|1.782667|1.729711|1.590822|1.514025|1.550361|11.447534|2.632907|2.241114|3.130597|2.718372|1.838120|11.197034|1.542827|1.376517|1.315832|1.201422|1.147032|1.187846|1.296828|2.536615|2.494516|4.139432|3.526278|5.661996|4.816255|5.505399|8.787540|6.918263|5.720222|4.441611|6.919486|8.801413|17.513045|5.504958|0.047554|0.042911|0.049575|0.049656|0.042763|0.039478|0.044692|0.043981|0.037880|0.032248|0.029937|0.036773|0.067643|0.065270|0.086265|0.141114|0.123053|0.212317|0.207409|0.141341|0.127844|0.105808|0.105840|0.207507|0.141353|0.212636|0.302852|0.500000| |2.457617|2.479775|2.794500|2.647211|2.280127|2.098421|2.172613|15.196342|4.475200|4.257238|6.309998|4.874500|3.092902|17.226929|2.347671|1.983739|1.864379|1.642118|1.539888|1.607734|1.811739|3.355731|4.740508|9.488920|6.839906|8.740929|8.720661|5.495009|4.841429|4.438863|5.705716|6.868760|6.935617|8.834001|5.515752|17.532757|0.067371|0.060720|0.075501|0.078132|0.059865|0.052762|0.069623|0.067034|0.054443|0.043504|0.039372|0.051376|0.122418|0.109887|0.234273|0.141175|0.122884|0.106747|0.105838|0.105633|0.127795|0.140535|0.204520|0.141740|0.208076|0.215119|0.141548|0.123375|0.500000| 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