Version2.1 2021-01-07T10:36:48Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)C)S(=O)(=O)N2CCN(CC2)[C@@H](C)C(=O)Nc3c(c4c(s3)CCC4)C(=O)N C14921547 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)C)S(=O)(=O)N2CCN(CC2)[C@@H](C)C(=O)Nc3c(c4c(s3)CCC4)C(=O)N C01[X(C23H30N4O4S2)] 183 C1 563 Cc1ccc(c(c1)C)S(=O)(=O)N1CCN(CC1)[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C Cc1ccc(c(c1)C)S(=O)(=O)N1CCN(CC1)[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C C[C@H](N1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2C)C(=O)Nc3sc4CCCc4c3C(N)=O InChIKey=MVHVOJMXFYBOKW-INIZCTEOSA-N InChI=1S/C23H30N4O4S2/c1-14-7-8-19(15(2)13-14)33(30,31)27-11-9-26(10-12-27)16(3)22(29)25-23-20(21(24)28)17-5-4-6-18(17)32-23/h7-8,13,16H,4-6,9-12H2,1-3H3,(H2,24,28)(H,25,29)/t16-/m0/s1 InChI=1/C23H30N4O4S2/c1-14-7-8-19(15(2)13-14)33(30,31)27-11-9-26(10-12-27)16(3)22(29)25-23-20(21(24)28)17-5-4-6-18(17)32-23/h7-8,13,16H,4-6,9-12H2,1-3H3,(H2,24,28)(H,25,29)/t16-/m0/s1/f/h25H,24H2 Cc1ccc(c(c1)C)S(=O)(=O)N2CCN(CC2)[C@@H](C)C(=O)Nc3c(c4c(s3)CCC4)C(=O)N C01[X(C23H30N4O4S2)] 183 C01 563 Cc1ccc(c(c1)C)S(=O)(=O)N1CCN(CC1)[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)C O=C([C@@H](N1CCN(CC1)[S]([O])([O])[C]1[CH][CH][C]([CH][C]1C)C)C)N[C]1SC2=[C]([C]1C(=O)N)CCC2 C[C]1[CH][CH][C]([C](C)[CH]1)[S]([O])([O])N2CCN(CC2)[C@@H](C)C(=O)N[C]3SC4=C(CCC4)[C]3C(N)=O InChIKey=MVHVOJMXFYBOKW-INIZCTEOSA-N InChI=1S/C23H30N4O4S2/c1-14-7-8-19(15(2)13-14)33(30,31)27-11-9-26(10-12-27)16(3)22(29)25-23-20(21(24)28)17-5-4-6-18(17)32-23/h7-8,13,16H,4-6,9-12H2,1-3H3,(H2,24,28)(H,25,29)/t16-/m0/s1 InChI=1/C23H30N4O4S2/c1-14-7-8-19(15(2)13-14)33(30,31)27-11-9-26(10-12-27)16(3)22(29)25-23-20(21(24)28)17-5-4-6-18(17)32-23/h7-8,13,16H,4-6,9-12H2,1-3H3,(H2,24,28)(H,25,29)/t16-/m0/s1/f/h25H,24H2 3771.5024904096 -2200.655971 1-A 26906.1793 130 433 563 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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| 9.3055 10.7019 15.0070 18.5758 29.8527 44.9643 60.6646 68.1770 72.4843 78.2849 91.5641 120.3118 131.3650 133.4514 147.7632 149.6011 159.2383 189.4541 194.4198 209.4416 221.3994 225.0192 245.9469 248.7524 260.9634 281.2922 286.4075 297.4452 305.6864 314.3075 326.0311 329.0827 342.1801 349.5640 360.5309 376.4038 385.3948 411.5369 414.3219 456.4439 475.2944 485.5121 496.3755 501.4553 529.2235 549.8599 561.4993 580.3750 582.5412 597.2112 602.8614 604.4901 625.4575 653.4430 687.8390 690.3422 711.2386 714.5567 736.4198 781.3549 790.8314 791.2766 798.0918 816.9846 841.7411 864.9281 881.1299 890.9573 911.4993 932.1770 944.8875 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0.23844 0.04129 0.03879 13.39 15.40 21.59 26.73 42.95 64.69 87.28 98.09 104.29 112.63 131.74 173.10 189.00 192.01 212.60 215.24 229.11 272.58 279.73 301.34 318.54 323.75 353.86 357.90 375.47 404.72 412.08 427.96 439.81 452.22 469.09 473.48 492.32 502.94 518.72 541.56 554.50 592.11 596.12 656.72 683.84 698.54 714.17 721.48 761.43 791.13 807.87 835.03 838.15 859.25 867.38 869.73 899.89 940.16 989.65 993.25 1023.31 1028.09 1059.54 1124.20 1137.83 1138.47 1148.28 1175.46 1211.08 1244.44 1267.75 1281.89 1311.44 1341.19 1359.48 1369.34 1403.65 1429.18 1438.40 1456.75 1460.38 1504.87 1529.99 1555.01 1575.38 1589.62 1594.32 1606.65 1610.67 1626.75 1662.01 1673.63 1686.81 1688.80 1700.15 1712.18 1725.04 1739.91 1743.73 1796.67 1806.34 1816.07 1825.86 1836.57 1838.36 1847.57 1866.42 1902.30 1908.16 1936.23 1948.87 1950.03 1953.50 1958.47 2010.82 2053.57 2060.21 2065.38 2082.31 2106.48 2118.42 2126.50 2134.91 2150.11 2154.75 2185.46 2217.63 2236.66 2239.07 2240.40 2246.30 2254.75 2256.19 2266.37 2294.90 2309.54 2342.14 2349.40 2351.76 2353.53 2356.26 2357.95 2362.85 2371.60 2372.58 2383.72 2386.10 2395.67 2397.19 2397.88 2506.91 2531.70 2565.65 2590.14 2601.05 2738.57 2845.41 4496.99 4517.09 4530.82 4568.31 4599.77 4606.04 4609.05 4614.23 4639.28 4646.95 4663.15 4667.14 4676.51 4698.54 4720.69 4727.90 4730.56 4734.03 4751.93 4757.56 4770.28 4783.58 4794.55 4800.99 4835.76 4847.34 4920.81 5425.08 5534.83 5731.67 0.557700 0.588357 0.589301 0.490865 -2200.098271 -2200.067614 -2200.066670 -2200.165106 3.301560D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE Cc1ccc(c(c1)C)S(=O)(=O)N2CCN(CC2)[C@@H](C)C(=O)Nc3c(c4c(s3)CCC4)C(=O)N C14921547 RHF 6-31G(d) (6D,10F) C1 490.170849 |X|Y|Z| 149.472169 55.163045 39.003175 68.512452 24 6 7 16 19 3 2 |36.858105| |12.618525|36.858105| |7.550708|13.741860|36.858105| |5.028000|7.948176|13.798274|36.858105| |4.429912|6.825764|7.898820|13.701256|36.858105| |4.989011|7.790149|6.779529|7.862297|13.578777|36.858105| |7.567139|13.715635|7.994492|6.960689|7.998224|13.703675|36.858105| |3.813385|5.015906|4.408138|4.950299|7.352568|12.574762|7.657027|36.858105| |3.133857|4.169076|4.757316|7.074415|10.682269|6.753372|4.678418|5.796567|388.023441| |2.820853|3.609820|3.808110|4.984645|7.264329|6.174536|4.272361|6.613645|94.774618|73.516695| |2.902539|3.731696|4.524665|6.687624|7.371141|4.919706|3.860713|4.171092|94.677277|13.644724|73.516695| |2.822692|3.601350|4.033632|5.442689|6.876029|5.219518|3.953422|4.772112|82.443470|13.727896|13.780076|53.358707| |2.701381|3.359001|3.513268|4.332818|5.539479|5.001263|3.846925|5.111246|50.576811|11.590995|8.883079|17.768484|36.858105| |2.280716|2.713518|2.847336|3.362098|3.914086|3.591007|2.984358|3.671561|34.360186|8.090134|7.033886|10.689037|12.534042|36.858105| |2.274719|2.675113|2.873481|3.348371|3.649456|3.264565|2.824677|3.149816|30.273252|6.634367|6.664230|9.144103|7.768534|13.092056|53.358707| |2.337013|2.781772|3.122751|3.770081|3.952308|3.315976|2.857680|3.064272|34.359924|6.988788|8.135250|10.647302|6.675988|8.003166|17.840093|36.858105| |2.799268|3.496123|4.094674|5.374749|5.664032|4.320617|3.583097|3.747353|50.786719|8.874053|11.629929|17.764087|7.822863|6.703690|10.596946|12.520338|36.858105| |1.964267|2.241157|2.377681|2.680497|2.855424|2.626003|2.341937|2.579477|23.082238|5.279865|5.294387|6.135082|5.075195|7.898097|17.861917|7.807849|5.052875|36.858105| |1.818227|2.069415|2.198729|2.492350|2.667067|2.445092|2.167885|2.432961|22.226670|5.196374|5.188416|5.765192|4.633033|7.149826|12.316901|6.852140|4.550116|17.417570|0.500000| |1.892859|2.122923|2.275602|2.513037|2.571074|2.353499|2.158522|2.255311|20.034902|4.498529|4.776641|5.026562|3.854086|5.019759|10.393239|6.499775|4.431184|12.406627|0.246448|36.858105| |1.896380|2.131025|2.197209|2.415266|2.601235|2.492899|2.255935|2.514258|20.229928|4.795337|4.541539|5.090199|4.518206|6.570413|10.624323|5.054449|3.912477|12.439041|0.246760|7.773149|36.858105| |2.021833|2.259564|2.294100|2.480088|2.670682|2.615530|2.400611|2.634723|19.953139|4.718380|4.413076|4.924599|4.470400|5.853951|9.121622|4.515178|3.769216|7.919373|0.163330|6.204415|15.938001|73.516695| |1.681079|1.867729|1.915419|2.092674|2.252807|2.176820|1.979183|2.232136|17.657056|4.298698|4.022031|4.257114|3.684157|5.087747|7.302027|3.975953|3.180420|7.846897|0.215023|5.858658|13.960477|15.058942|53.358707| |1.573207|1.723959|1.743332|1.874946|2.015713|1.986721|1.831266|2.061217|15.459966|3.823296|3.521939|3.586311|3.093152|3.940366|5.412466|3.120497|2.637868|5.067689|0.138096|4.280023|7.783787|11.963626|18.814459|36.858105| |1.419588|1.544747|1.561009|1.673487|1.793061|1.769545|1.637145|1.845032|13.799152|3.452990|3.182514|3.120093|2.626253|3.232965|4.359577|2.649356|2.276990|3.931742|0.113187|3.465781|5.136435|8.064038|10.653086|13.891231|36.858105| |1.353450|1.456674|1.457447|1.543454|1.648690|1.648524|1.543719|1.725681|12.451478|3.130469|2.870579|2.755382|2.309818|2.724500|3.656601|2.265327|2.003935|3.142220|0.087841|2.863874|4.004832|6.836467|7.112606|8.217161|13.157556|36.858105| |1.426039|1.528587|1.517401|1.594725|1.703423|1.720095|1.622787|1.800337|12.652482|3.168182|2.892983|2.798792|2.371885|2.756953|3.717343|2.277295|2.039116|3.132744|0.084339|2.871401|4.123248|7.546590|6.796844|7.749496|8.196196|14.278760|36.858105| |1.626115|1.760898|1.751306|1.849565|1.983857|1.998344|1.874750|2.078033|14.696020|3.631854|3.316661|3.342181|2.906771|3.472522|4.763485|2.780203|2.454909|4.079705|0.104319|3.633882|6.052793|12.078206|9.457024|10.944782|7.327516|7.420174|11.007488|388.023441| |1.340008|1.419919|1.398750|1.454621|1.546969|1.576508|1.504564|1.653111|11.339267|2.851349|2.602984|2.455551|2.054979|2.309085|3.102163|1.949917|1.784262|2.530880|0.068156|2.369961|3.155641|5.884151|4.885212|4.812806|5.154442|7.983785|12.689040|45.803118|36.858105| |1.220156|1.291465|1.279701|1.333955|1.412979|1.429591|1.362145|1.495697|10.448390|2.633916|2.424414|2.246343|1.850095|2.079974|2.798231|1.792025|1.634376|2.297494|0.063314|2.173707|2.764204|4.957659|4.374016|4.179430|4.976193|7.970437|8.092137|33.299163|12.285904|36.858105| |1.229798|1.313137|1.310346|1.379675|1.467592|1.472461|1.387838|1.543815|11.033146|2.790371|2.564079|2.392096|1.972508|2.263154|3.023745|1.928415|1.734366|2.529020|0.071325|2.353603|3.042563|5.245083|5.076883|4.992493|6.939967|12.595639|8.127326|34.370654|7.646414|12.280855|36.858105| |1.348427|1.471587|1.500200|1.620234|1.732011|1.689484|1.553967|1.756952|13.573399|3.406974|3.173785|3.054506|2.512128|3.101855|4.170607|2.617034|2.227805|3.775114|0.116024|3.344186|4.440157|6.666153|8.853820|7.660315|12.888501|7.247667|5.085731|33.711327|3.803594|3.950895|5.528801|36.858105| |1.388794|1.526552|1.571956|1.714311|1.829928|1.760371|1.606908|1.816876|14.585899|3.633793|3.436245|3.329397|2.704578|3.429014|4.675425|2.954380|2.448001|4.381535|0.143732|3.824244|4.829920|6.855837|9.632900|6.673990|8.059917|5.129860|4.069167|29.632806|3.149617|3.184254|4.098694|15.698157|73.516695| |1.237245|1.341069|1.362716|1.463578|1.560052|1.528951|1.414212|1.595323|12.162637|3.077911|2.864062|2.674750|2.169946|2.586140|3.445065|2.226071|1.939503|2.987758|0.090829|2.718754|3.381151|5.304504|6.070075|5.177990|7.874177|6.365603|4.430886|27.092503|3.605170|4.044180|5.986737|14.084285|15.225520|53.358707| |17.534756|8.871499|6.214189|4.443903|3.985264|4.463783|6.357059|3.554178|20.731848|4.766937|4.883112|3.500880|2.449538|2.083036|2.803500|2.124593|2.520167|1.795701|0.046661|1.728627|1.733344|3.256498|2.115315|1.460267|1.328682|1.269691|1.331717|10.684442|1.256850|1.151067|1.161015|1.268818|2.321562|1.593913|0.500000| |17.574285|8.840774|5.667465|4.221504|3.969439|4.685153|7.062374|3.795664|20.631367|4.750324|4.684675|3.650475|2.649743|2.253454|3.043029|2.246897|2.639129|1.945089|0.049825|1.868382|1.909588|3.661254|2.306415|1.599328|1.440964|1.383000|1.467527|11.910498|1.385870|1.254719|1.257084|1.358498|2.471633|1.697397|0.302041|0.500000| |17.579367|8.843091|7.131045|4.720660|3.957450|4.163320|5.628197|3.249041|20.712460|4.586311|4.923783|3.656660|2.545801|2.192823|3.040009|2.316652|2.751152|1.943416|0.049828|1.904357|1.866113|3.533744|2.248125|1.543217|1.392441|1.327024|1.397666|11.334214|1.313298|1.198098|1.206110|1.323847|2.427911|1.652704|0.301967|0.301372|0.500000| |6.965147|8.896072|17.715193|8.952336|5.635217|4.903277|5.660265|3.529962|28.116715|5.721433|7.089694|4.746116|3.041089|2.562734|3.599826|2.907426|3.693749|2.233279|0.057507|2.185503|2.056872|3.803765|2.454056|1.644887|1.479602|1.384348|1.438920|11.742041|1.330768|1.222654|1.249511|1.426082|2.657870|1.768614|0.165089|0.143544|0.213907|0.500000| |4.098699|5.658473|8.955905|17.769332|8.942094|5.622105|5.001921|4.039894|48.963919|8.324675|14.083027|7.452272|4.109262|3.317197|4.616170|4.024885|5.845483|2.728005|0.071078|2.594389|2.398452|4.304473|2.837526|1.852111|1.659098|1.520612|1.559486|12.814791|1.417717|1.308641|1.360161|1.621472|3.075375|1.993209|0.103573|0.097213|0.112010|0.216557|0.500000| |7.071984|8.964520|5.680315|4.996714|5.677317|8.979377|17.708427|7.235210|27.434406|6.630011|5.737114|4.605039|3.434719|2.738929|3.500204|2.543752|3.065480|2.176689|0.056128|2.005848|2.140851|4.082266|2.582461|1.780102|1.598279|1.521978|1.608443|13.127177|1.504499|1.358111|1.374920|1.508880|2.750481|1.878183|0.173231|0.212269|0.143345|0.124469|0.108344|0.500000| |3.336596|4.256175|3.907092|4.479323|6.485659|8.777283|5.892692|17.618712|42.084410|12.296328|7.320659|7.402789|6.551673|4.449795|4.939635|3.401551|4.084797|2.922924|0.076220|2.485021|2.878191|5.377538|3.447320|2.323593|2.057108|1.909936|1.996088|16.609609|1.812838|1.629117|1.690385|1.947031|3.581036|2.384473|0.085247|0.093361|0.081491|0.089130|0.105468|0.155324|0.500000| |3.923991|4.859462|4.013662|4.181752|5.522715|8.923634|7.525478|17.594947|31.129767|8.598666|6.039530|5.200864|4.165187|3.191183|3.803529|2.681512|3.172658|2.349944|0.061433|2.081028|2.340266|4.417880|2.852802|1.968634|1.770119|1.677576|1.763844|14.375841|1.638426|1.476932|1.510143|1.673004|3.044218|2.080230|0.102424|0.113098|0.091094|0.091266|0.095935|0.239119|0.302510|0.500000| |3.376937|4.307188|3.951065|4.523077|6.512890|8.840684|5.965737|17.629537|41.516431|13.581180|7.646732|6.098820|4.592986|3.406303|3.951154|2.875974|3.476183|2.412482|0.064416|2.111334|2.330276|4.259673|2.864845|1.945809|1.764124|1.647681|1.701171|13.756931|1.565654|1.430932|1.485019|1.700493|3.135537|2.116890|0.090523|0.091654|0.080983|0.090075|0.106514|0.157066|0.304309|0.300767|0.500000| |3.008176|3.769605|3.832526|4.567987|5.805943|5.603608|4.391621|5.571319|43.494216|9.734050|7.840330|12.293925|17.510975|8.902698|9.501668|5.796648|6.945821|4.736175|0.114620|3.759725|4.472867|8.464181|4.843656|3.058231|2.565542|2.297340|2.410324|21.367697|2.103476|1.866878|1.959469|2.396739|4.504908|2.824949|0.074203|0.083162|0.078337|0.090861|0.115314|0.108987|0.201845|0.128927|0.129097|0.500000| |2.591331|3.197483|3.257344|3.958882|5.241324|5.031053|3.779966|5.753760|49.037694|13.843644|8.417278|12.492327|17.666734|8.921633|7.682216|5.011336|5.682899|4.198006|0.111599|3.255861|3.928407|6.894506|4.610864|2.932502|2.545673|2.260515|2.309100|19.649661|2.019246|1.826098|1.951156|2.450218|4.643102|2.919729|0.066318|0.070985|0.066882|0.078076|0.102942|0.095856|0.219596|0.127313|0.149151|0.299124|0.500000| |2.187445|2.555966|2.610735|2.984386|3.462216|3.342689|2.839992|3.538822|28.504376|7.033521|5.875119|7.748432|9.007277|17.613849|12.454422|5.737128|4.997188|7.306841|0.180948|4.695218|7.715124|12.693401|8.110550|4.672007|3.696995|3.104656|3.185462|29.541633|2.619330|2.316288|2.523791|3.415263|6.532300|3.820966|0.055542|0.060976|0.058226|0.065458|0.080348|0.074160|0.120969|0.087934|0.090346|0.220287|0.215124|0.500000| |2.085417|2.461554|2.599097|3.080784|3.563102|3.236877|2.691948|3.353705|33.045745|8.119685|7.035393|9.563434|8.894570|17.433491|12.256077|7.140566|5.849701|6.952448|0.208705|4.582052|5.615272|8.430025|6.612660|3.772502|3.219518|2.675631|2.633581|22.671491|2.211042|2.031646|2.247145|3.222954|6.505230|3.676060|0.053643|0.056893|0.055732|0.065574|0.086041|0.068909|0.110398|0.080993|0.089750|0.174320|0.219417|0.300508|0.500000| |2.280609|2.663736|3.016413|3.529974|3.518416|2.984193|2.662543|2.715512|28.575987|5.856352|7.072460|7.742702|4.989896|5.734381|12.443247|17.636031|9.025952|7.149718|0.169540|7.515220|4.723657|7.627354|5.095511|2.976994|2.539099|2.187598|2.205429|19.068532|1.898214|1.749653|1.870397|2.503476|5.008038|2.911230|0.057462|0.060801|0.063871|0.080080|0.106261|0.066103|0.081959|0.067296|0.070680|0.130159|0.109839|0.127711|0.144360|0.500000| |2.129154|2.512841|2.812434|3.398857|3.588244|3.018640|2.591300|2.850423|32.973803|6.951819|8.188896|9.497821|5.808101|7.113005|12.236586|17.428857|8.881852|6.886466|0.198707|5.698918|4.541684|6.955319|5.212467|3.009545|2.621420|2.220955|2.190521|18.541808|1.877582|1.750402|1.906094|2.669201|5.470566|3.107294|0.054575|0.056720|0.058438|0.073197|0.102229|0.064573|0.087305|0.069273|0.076311|0.133154|0.131246|0.144161|0.211668|0.300888|0.500000| |2.744795|3.408318|4.159129|5.587407|5.429234|3.999812|3.382754|3.408225|49.384709|8.408167|13.946760|12.486088|5.681673|5.025106|7.692024|8.917068|17.661128|4.173910|0.108981|3.876330|3.285603|5.591111|3.774488|2.337723|2.059248|1.824293|1.843442|15.448791|1.629290|1.508062|1.599244|2.041864|3.995011|2.451066|0.069535|0.070582|0.075707|0.107111|0.187917|0.079983|0.099336|0.080738|0.090273|0.141966|0.127885|0.109960|0.132014|0.215523|0.219380|0.500000| |3.157329|3.984996|4.706510|5.985970|5.970116|4.649836|3.992087|3.855258|43.699506|7.871690|9.711040|12.309719|6.951875|5.812324|9.511021|8.896589|17.509512|4.712940|0.112801|4.330220|3.848355|6.923930|4.181131|2.591479|2.218265|1.978702|2.044254|17.684683|1.799722|1.633167|1.711988|2.131076|4.099176|2.530034|0.077002|0.082757|0.087007|0.117228|0.172444|0.093665|0.115359|0.092163|0.095883|0.203507|0.142057|0.130180|0.133768|0.220993|0.174211|0.299530|0.500000| |2.028583|2.266288|2.426750|2.642422|2.666749|2.453345|2.282224|2.315838|20.051499|4.443294|4.747398|4.979126|3.822530|4.688479|9.654988|6.091709|4.495552|8.821419|0.173794|17.589539|6.903495|11.492955|6.817481|3.917544|3.157297|2.704217|2.790784|25.522286|2.339473|2.114267|2.238270|2.955760|5.782544|3.335390|0.050957|0.055798|0.057097|0.064981|0.075203|0.058832|0.070523|0.059710|0.059445|0.108342|0.088674|0.123520|0.113646|0.204564|0.138451|0.108156|0.130114|0.500000| |1.725709|1.908382|2.022229|2.201863|2.254034|2.097126|1.942510|2.034994|17.408470|3.995509|4.164852|4.209131|3.266659|4.173882|7.602435|4.799183|3.548502|8.817834|0.210011|17.563618|7.379156|10.365040|8.674613|4.733887|3.861869|3.146454|3.113565|27.660464|2.537405|2.348624|2.562324|3.728868|7.598159|4.067381|0.044046|0.047583|0.048239|0.054211|0.062796|0.050717|0.062031|0.052747|0.053214|0.088923|0.079278|0.113819|0.109142|0.147346|0.124183|0.088475|0.096746|0.300670|0.500000| |1.859328|2.089042|2.276627|2.535274|2.554214|2.293849|2.100997|2.173545|20.203211|4.476700|4.969993|5.010023|3.627919|4.541260|9.031224|6.893776|4.570677|8.728325|0.215986|17.605155|5.582462|8.258252|6.307294|3.547971|3.017990|2.525844|2.498730|21.553272|2.105389|1.963441|2.128558|3.018076|6.216869|3.423912|0.047401|0.050461|0.052207|0.061293|0.074243|0.053839|0.065714|0.055403|0.057102|0.096224|0.085719|0.113107|0.120512|0.245826|0.178223|0.116012|0.120200|0.299451|0.303520|0.500000| |1.601561|1.781235|1.841266|2.024782|2.173149|2.076974|1.880295|2.126330|17.360073|4.239799|4.014983|4.162380|3.494770|4.825546|6.876589|3.952415|3.109808|7.472899|0.246223|5.694931|9.238634|10.796859|25.896721|9.541095|7.445954|4.814550|4.312773|37.515403|3.220360|3.012948|3.594400|7.624124|17.795651|6.773990|0.041363|0.044557|0.043755|0.048315|0.056592|0.049885|0.066532|0.055160|0.056395|0.091098|0.090209|0.147715|0.137119|0.103217|0.110565|0.076595|0.081530|0.128237|0.175052|0.132321|0.500000| |1.340623|1.411073|1.387939|1.433092|1.513046|1.543514|1.486196|1.605062|10.972840|2.738209|2.526611|2.368707|1.967741|2.188738|2.986918|1.890104|1.737554|2.424582|0.064460|2.320582|2.995182|5.700678|4.484172|4.234053|4.305683|5.930529|8.752490|41.629905|17.563357|8.664251|5.658052|3.295577|5.012332|4.226875|0.034866|0.038620|0.036640|0.036820|0.038772|0.041341|0.048602|0.044357|0.042053|0.056487|0.053307|0.068282|0.057712|0.051600|0.050193|0.044165|0.049111|0.064591|0.069104|0.057260|0.081836|0.500000| |1.358045|1.437883|1.406183|1.459932|1.562535|1.607538|1.534662|1.703507|11.409044|2.894365|2.602292|2.451269|2.065849|2.288397|3.017103|1.898406|1.759726|2.407890|0.064827|2.222309|2.975067|5.606295|4.506903|4.284348|4.472558|6.297995|8.862167|40.437811|17.522810|8.654041|6.198697|3.428530|5.139826|4.464234|0.035441|0.039169|0.036784|0.037016|0.039308|0.042902|0.051975|0.047202|0.044815|0.058940|0.057015|0.072564|0.060798|0.050928|0.050758|0.044594|0.049345|0.061173|0.064927|0.055143|0.082730|0.302731|0.500000| |1.183037|1.247344|1.239806|1.288355|1.354480|1.364729|1.306433|1.415430|9.983044|2.498574|2.331949|2.143807|1.747401|1.960503|2.679798|1.731466|1.575797|2.211670|0.060785|2.139394|2.627681|4.708772|4.113161|3.828009|4.462220|6.494312|6.573076|30.148207|8.811451|17.575490|8.815878|3.661972|5.360618|5.100937|0.030999|0.033749|0.032413|0.033060|0.035220|0.036112|0.042594|0.038803|0.037602|0.049057|0.047574|0.059931|0.053129|0.047415|0.046938|0.040567|0.043856|0.058001|0.064854|0.053862|0.079224|0.225577|0.175624|0.500000| |1.169508|1.233473|1.217764|1.265954|1.342104|1.364084|1.302971|1.433526|9.897222|2.509682|2.298216|2.105046|1.727399|1.915375|2.553528|1.651293|1.522204|2.062580|0.057018|1.947725|2.434745|4.377998|3.779310|3.470611|4.038934|5.793409|5.848468|27.334021|8.644425|17.582605|8.648894|3.391092|4.972444|4.857067|0.030761|0.033450|0.031837|0.032321|0.034438|0.036238|0.043194|0.039499|0.038236|0.048401|0.047742|0.058949|0.052175|0.044679|0.044935|0.039185|0.042235|0.052775|0.057792|0.049354|0.073081|0.189488|0.219632|0.302920|0.500000| |1.210914|1.294912|1.289187|1.360265|1.454998|1.464552|1.375497|1.548949|10.986436|2.807099|2.547923|2.364997|1.953659|2.225430|2.916915|1.869158|1.694446|2.400950|0.068361|2.200501|2.843906|4.884787|4.695523|4.438732|5.997418|8.821441|6.361232|30.037514|6.205257|8.685217|17.485405|5.201541|6.964522|8.139458|0.031860|0.034373|0.032861|0.034058|0.037194|0.037939|0.047144|0.042123|0.041612|0.053589|0.054341|0.068989|0.061984|0.049931|0.051651|0.043483|0.046231|0.057997|0.065527|0.055770|0.093672|0.130084|0.159791|0.176119|0.221107|0.500000| |1.172269|1.249759|1.253457|1.319981|1.395542|1.391159|1.312987|1.448592|10.520155|2.649152|2.467187|2.275320|1.850942|2.123239|2.871455|1.856497|1.662396|2.418883|0.068900|2.293090|2.837079|4.817894|4.724080|4.428570|6.144027|8.722393|6.008163|29.054589|5.664190|8.691824|17.557326|5.528199|7.347031|8.853947|0.030798|0.033167|0.032043|0.033345|0.036336|0.036019|0.043813|0.039257|0.038842|0.050827|0.050666|0.064701|0.059017|0.050383|0.051308|0.042880|0.045445|0.060189|0.070099|0.058196|0.095609|0.129927|0.130062|0.226708|0.190211|0.301984|0.500000| |1.207767|1.303264|1.315972|1.405644|1.500215|1.482697|1.377552|1.555186|11.589715|2.948368|2.718578|2.524173|2.056880|2.409775|3.183227|2.057116|1.819870|2.703217|0.080414|2.466803|3.097997|5.006671|5.400680|4.799207|7.271412|7.059936|4.744153|27.012183|3.993805|4.725205|7.674223|9.252270|10.875271|26.153067|0.031798|0.033942|0.032871|0.034837|0.038879|0.037546|0.047366|0.041661|0.042094|0.055120|0.056871|0.073254|0.069167|0.054892|0.058113|0.046940|0.048787|0.062868|0.074587|0.063268|0.117114|0.093155|0.101225|0.117902|0.116821|0.229588|0.232776|0.500000| 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