Version2.4 2021-05-26T14:19:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 28-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1C)S(=O)(=O)c2c(cc(n(c2=O)CC(=O)Nc3ccc(c(c3)C)Br)C)C C49421564 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1C)S(=O)(=O)c2c(cc(n(c2=O)CC(=O)Nc3ccc(c(c3)C)Br)C)C C01[X(C24H25Br1N2O4S1)] 165 C1 549 O=C(Cn1c(C)cc(c(c1=O)S(=O)(=O)c1ccc(c(c1)C)C)C)Nc1ccc(c(c1)C)Br O=C(Cn1c(C)cc(c(c1=O)S(=O)(=O)c1ccc(c(c1)C)C)C)Nc1ccc(c(c1)C)Br CC1=CC(=C(C(=O)N1CC(=O)Nc2ccc(Br)c(C)c2)[S](=O)(=O)c3ccc(C)c(C)c3)C InChIKey=YKCKRDOXZCTASP-UHFFFAOYSA-N InChI=1S/C24H25BrN2O4S/c1-14-6-8-20(12-15(14)2)32(30,31)23-17(4)10-18(5)27(24(23)29)13-22(28)26-19-7-9-21(25)16(3)11-19/h6-12H,13H2,1-5H3,(H,26,28) InChI=1/C24H25BrN2O4S/c1-14-6-8-20(12-15(14)2)32(30,31)23-17(4)10-18(5)27(24(23)29)13-22(28)26-19-7-9-21(25)16(3)11-19/h6-12H,13H2,1-5H3,(H,26,28)/f/h26H Cc1ccc(cc1C)S(=O)(=O)c2c(cc(n(c2=O)CC(=O)Nc3ccc(c(c3)C)Br)C)C C01[X(C24H25Br1N2O4S1)] 165 C01 549 O=C(Cn1c(C)cc(c(c1=O)S(=O)(=O)c1ccc(c(c1)C)C)C)Nc1ccc(c(c1)C)Br O=C(CN1C(=[CH][C]([C]([C]1[O])[S@]([O])(=O)[C]1[CH][CH][C]([C]([CH]1)C)C)C)C)N[C]1[CH][CH][C]([C]([CH]1)C)Br C[C]1[CH][CH][C]([CH][C]1C)[S]([O])(=O)[C]2[C](C)C=C(C)N(CC(=O)N[C]3[CH][CH][C](Br)[C](C)[CH]3)[C]2[O] InChIKey=YKCKRDOXZCTASP-UHFFFAOYSA-N InChI=1S/C24H25BrN2O4S/c1-14-6-8-20(12-15(14)2)32(30,31)23-17(4)10-18(5)27(24(23)29)13-22(28)26-19-7-9-21(25)16(3)11-19/h6-12H,13H2,1-5H3,(H,26,28) InChI=1/C24H25BrN2O4S/c1-14-6-8-20(12-15(14)2)32(30,31)23-17(4)10-18(5)27(24(23)29)13-22(28)26-19-7-9-21(25)16(3)11-19/h6-12H,13H2,1-5H3,(H,26,28)/f/h26H 3903.1030103516 -4299.1226086 1-A 23115.8679 133 416 549 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.05450 -92.18424 -64.46577 -58.60505 -58.60325 -58.60311 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2.1819 15.0282 4.1942 6.4110 3.0447 0.9481 6.8022 2.9418 6.8381 0.7342 5.4857 4.3511 27.3370 2.0633 32.5919 32.7753 7.3706 29.2896 18.5926 34.9938 21.1182 2.7269 15.8412 49.0064 2.8001 4.4555 56.7726 147.7115 26.0927 112.9314 35.4616 2.3213 23.2424 14.3256 104.5830 2.9496 17.3713 13.9223 29.0271 31.1550 2.4501 27.9849 1.9638 10.6597 1.3440 5.4924 2.6380 0.0791 2.1376 1.2439 3.0208 51.9385 13.7370 2.5491 7.4994 30.1826 2.9618 10.2548 0.9173 64.2665 14.1341 121.2211 0.9518 19.2038 57.3583 8.3537 57.7657 14.6568 13.0908 6.8174 6.1851 20.8653 22.9162 58.8487 150.6158 11.8747 86.2076 93.3395 108.7686 4.4045 10.4901 28.3443 26.5598 3.3103 0.6603 1.0561 3.8538 164.3241 0.0977 20.0327 15.2715 35.2674 14.0727 4.7627 31.6078 17.5787 2.9416 13.5576 6.4250 143.6648 14.4218 299.4310 460.6937 1.4184 88.5360 134.8228 27.1903 285.9049 520.0585 335.0644 13.8489 61.3463 19.0749 11.0097 22.0801 11.3330 39.0776 15.3544 33.2109 15.5657 6.8570 20.7117 22.6991 7.5176 7.8118 2.4054 8.0242 20.4750 4.6713 2.0882 4.1771 7.2206 0.9642 0.5537 218.0398 1.4208 1.9641 3.0014 4.5518 4.4240 3.3662 0.2587 0.8430 0.9293 0.7672 1.4879 0.1407 1.5004 0.5233 0.2504 0.2930 0.2798 0.3085 1.1682 1.0045 2.1131 1.3367 1.2101 2.0271 1.3942 2.2019 4.4826 2.6313 0.2051 1.3441 2.8527 2.7620 2.2054 1.3902 1.6282 1.5136 1.8374 1.6538 4.2636 0.2912 0.6104 2.6129 0.5749 1.1499 3.3178 0.5895 9.4165 7.4128 2.9712 1.0997 15.8747 0.3599 2.0279 0.9634 0.6994 6.6023 10.5093 3.3803 0.8989 8.0362 4.5774 21.2084 2.8321 2.1510 3.8663 1.8592 1.6888 1.6314 1.2195 4.9102 3.8904 3.2269 0.9612 3.4807 1.4865 3.5120 6.0463 0.6639 4.2624 1.6640 0.9994 14.1826 5.4378 0.9690 0.6946 17.8626 0.8729 0.8666 0.2508 5.7437 2.5107 29.5560 2.6438 7.8927 9.1064 1.1133 6.1452 16.8984 4.5190 2.3026 11.4025 12.9012 36.9474 13.4750 4.8617 5.7660 16.6819 6.6190 7.5408 0.9279 5.4800 0.8540 7.5649 4.5778 10.3571 15.0399 25.4848 15.4982 24.7783 6.2362 28.8523 5.1193 5.9502 14.5191 17.9446 5.1527 10.9092 11.9369 10.1424 1.4566 6.2731 137.9843 46.4666 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12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 10443.3089 36831.5519 40703.5939 0.99985 0.01703 0.00144 -0.01707 0.99933 0.03240 -0.00089 -0.03242 0.99947 1 0.00829 0.00235 0.00213 0.17281 0.04900 0.04434 14.97 21.31 30.74 35.88 58.98 66.36 76.81 95.01 123.88 151.23 178.95 186.60 227.92 237.84 240.80 248.76 267.65 269.13 287.91 295.66 322.80 332.04 343.50 353.54 375.79 394.15 426.99 438.38 442.22 463.10 482.42 499.42 511.65 525.25 550.77 570.70 605.36 626.46 700.69 703.67 717.02 732.68 751.99 756.90 804.91 814.06 853.17 864.55 873.70 914.30 926.99 933.24 940.14 990.99 1002.63 1011.24 1055.17 1086.68 1128.84 1135.98 1146.54 1160.17 1160.39 1261.30 1287.63 1306.13 1347.20 1364.57 1373.26 1398.24 1420.78 1455.11 1465.65 1502.95 1545.63 1562.04 1569.92 1582.55 1598.82 1599.46 1599.86 1611.24 1617.56 1665.74 1674.52 1676.25 1692.74 1695.12 1701.34 1717.90 1735.05 1768.19 1785.51 1788.27 1796.95 1818.96 1863.43 1867.93 1903.65 1905.37 1939.08 1947.97 1984.97 2032.46 2050.59 2069.80 2076.35 2099.01 2136.15 2193.51 2232.66 2236.09 2242.96 2254.58 2262.49 2265.79 2267.48 2279.55 2338.63 2344.64 2345.59 2346.91 2349.35 2349.79 2353.99 2354.92 2358.21 2359.95 2386.66 2395.60 2400.45 2450.32 2507.71 2543.84 2582.49 2589.48 2602.19 2605.17 2687.27 2818.46 4607.14 4613.48 4629.80 4635.34 4673.33 4679.69 4686.16 4715.41 4726.39 4734.34 4740.91 4746.39 4781.21 4782.47 4791.33 4802.52 4833.07 4848.21 4879.28 4886.14 4889.99 4912.70 4952.14 4974.95 5469.11 0.485645 0.515018 0.515962 0.421461 -4298.636964 -4298.607591 -4298.606647 -4298.701148 3.169579D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE Cc1ccc(cc1C)S(=O)(=O)c2c(cc(n(c2=O)CC(=O)Nc3ccc(c(c3)C)Br)C)C C49421564 RHF 6-31G(d) (6D,10F) C1 516.071840 |X|Y|Z| 130.668124 63.809648 44.397556 71.802300 22 6 7 16 19 2 1 |36.858105| |12.612727|36.858105| |7.593573|13.732747|36.858105| |5.018928|7.872314|13.754905|36.858105| |4.448378|6.871656|8.013467|13.804669|36.858105| |5.023825|7.939404|6.920901|7.914870|13.713661|36.858105| |7.522459|13.577170|7.906516|6.797549|7.902448|13.769457|36.858105| |6.444855|7.501962|5.006760|4.415722|5.022398|7.595702|12.600939|36.858105| |3.147541|4.194033|4.740020|6.953407|10.757695|6.982326|4.730077|3.644796|388.023441| |2.892274|3.721031|3.888652|5.024566|7.370186|6.474816|4.439233|3.670781|94.136907|73.516695| |2.862720|3.670577|4.400795|6.440055|7.290049|4.942142|3.810902|3.006699|94.458818|13.683210|73.516695| |2.794063|3.552467|3.881298|5.113626|6.684683|5.359281|3.976688|3.255013|75.977178|13.065858|12.939852|36.858105| |2.441519|2.987189|3.117811|3.815199|4.824454|4.401705|3.409468|2.975951|48.527905|11.364814|9.145313|13.920490|36.858105| |2.196539|2.601995|2.703804|3.177089|3.739296|3.493362|2.888656|2.593827|33.161465|7.685919|7.000047|7.960650|13.350391|36.858105| |2.197003|2.578224|2.727398|3.176916|3.554010|3.246902|2.769607|2.461947|29.715358|6.476755|6.628878|6.844258|7.836787|14.113206|36.858105| |2.446072|2.919722|3.198756|3.821288|4.137424|3.585338|3.053673|2.617020|33.720701|6.756239|7.721761|7.865449|6.833245|8.105009|13.924952|53.358707| |2.801855|3.500324|3.976364|5.150371|5.760280|4.551542|3.674210|2.994347|49.689068|8.717838|10.951746|13.156653|7.773700|6.860891|7.895366|18.675929|36.858105| |3.048570|3.843979|4.677249|6.286517|6.126797|4.541699|3.802067|3.004367|46.167130|7.856144|11.501052|8.105129|5.335575|4.776888|5.446993|11.566211|15.705760|73.516695| |2.344106|2.716501|3.009875|3.451149|3.482023|3.048626|2.729809|2.361428|26.355981|5.382098|6.407895|5.079932|4.476157|5.134419|7.681548|17.651045|7.861675|12.875576|36.858105| |2.068708|2.362851|2.649672|3.038185|3.002764|2.603299|2.345072|2.043421|23.475803|4.865348|6.095031|4.207774|3.780177|4.236303|5.738717|10.398811|5.854230|10.331046|12.438342|36.858105| |1.843121|2.067692|2.275548|2.551953|2.541706|2.261339|2.061675|1.833872|19.794579|4.255244|5.101510|3.468225|3.286137|3.792985|5.014617|7.776040|4.418153|7.592223|8.031943|15.864624|73.516695| |2.134541|2.460064|2.840936|3.334675|3.204502|2.685557|2.405122|2.060294|25.431170|5.132262|7.044896|4.283203|3.659196|3.806525|4.699576|8.544629|5.893216|11.601311|7.871378|14.115540|14.904267|53.358707| |1.914446|2.173845|2.499801|2.893957|2.766931|2.343384|2.117654|1.835611|22.146732|4.615542|6.364265|3.496900|3.086389|3.161371|3.673394|6.011364|4.318568|8.343996|5.026801|7.676313|11.558106|18.403624|36.858105| |1.696492|1.890169|2.129579|2.397926|2.311922|2.014459|1.846637|1.631779|18.210396|3.930626|5.080205|2.867914|2.638570|2.771759|3.204882|4.944885|3.407381|6.348611|4.194021|6.268789|11.559630|10.518599|13.735863|36.858105| |1.559141|1.721680|1.931229|2.154733|2.074298|1.821059|1.679436|1.494882|16.310610|3.590306|4.596690|2.479752|2.305892|2.381916|2.656195|3.982145|2.825595|5.257560|3.228061|4.320446|7.945657|6.996738|7.983249|13.762169|36.858105| |1.578207|1.747785|1.976172|2.218683|2.122023|1.846858|1.699014|1.504977|16.802706|3.702380|4.872052|2.466224|2.268338|2.279092|2.477073|3.724411|2.749921|5.182906|2.913606|3.696044|6.436237|6.223671|6.902251|7.928312|13.807027|36.858105| |1.746852|1.961728|2.257337|2.588516|2.452402|2.086782|1.900018|1.658179|19.698754|4.250530|5.954276|2.823772|2.527066|2.473353|2.664742|4.102612|3.153081|6.083070|3.137554|3.902550|6.393740|7.048220|7.839796|6.770030|7.881399|13.695482|36.858105| |1.946977|2.223168|2.594540|3.048037|2.877483|2.394836|2.153618|1.851595|23.384058|4.854776|7.150846|3.451035|2.992404|2.926439|3.230840|5.203159|4.048464|8.023172|4.021028|5.206786|7.938391|10.882874|13.694766|7.931700|6.942133|8.039207|13.742825|36.858105| |1.731963|1.940816|2.236851|2.558542|2.413048|2.053975|1.874626|1.636615|19.338763|4.241588|5.983316|2.632351|2.354927|2.246280|2.349623|3.567996|2.824702|5.454633|2.646491|3.090619|5.055214|5.304224|5.005815|4.407660|4.996124|7.489494|12.629600|7.586630|36.858105| |1.390870|1.518397|1.693458|1.866141|1.791983|1.588692|1.477451|1.326789|14.010179|3.174390|4.002703|2.012499|1.885299|1.885941|2.004788|2.935442|2.173804|4.049253|2.258200|2.710049|4.814150|4.271290|4.084687|4.599564|6.728147|10.002998|6.638748|4.595200|5.979492|2539.412838| |1.932713|2.199493|2.300789|2.585022|2.799059|2.624590|2.327959|2.126607|22.348000|5.050401|5.169540|4.442730|4.990957|7.657701|12.661270|10.466287|5.044941|7.178792|6.624492|5.440701|9.664131|5.663004|3.383304|3.137191|2.601968|2.360717|2.451031|2.891884|2.140229|65.857979|36.858105| |2.280355|2.746952|2.784622|3.309489|4.217129|4.115109|3.211263|2.918616|41.315916|12.359417|7.899570|7.406842|12.598935|7.648159|5.067255|6.039796|4.901581|6.888612|3.306141|2.933357|4.704895|3.928120|2.557579|2.245088|2.020756|2.014026|2.225711|2.540594|2.130257|58.634380|3.832637|36.858105| |17.544135|8.832142|5.904370|4.296693|3.976904|4.591053|6.681224|6.522589|20.775558|4.935050|4.740977|2.556841|2.273531|2.039107|2.013715|3.001378|2.509161|4.773307|2.098621|1.876465|2.998973|2.638099|1.761032|1.571192|1.456808|1.481456|1.635648|1.802567|1.637114|44.890984|1.781600|2.173224|0.500000| |17.543177|8.829452|5.889627|4.290635|3.975249|4.588706|6.686458|6.524734|20.713979|4.793410|4.657222|2.696299|2.395713|2.191188|2.203363|3.311943|2.726032|5.189660|2.347138|2.046356|3.261398|2.825585|1.850205|1.652420|1.512505|1.516924|1.663296|1.855290|1.632859|45.498340|1.958158|2.231633|0.302672|0.500000| |17.593876|8.856810|7.335537|4.785206|3.995699|4.186672|5.556661|4.730466|20.804574|4.704390|4.898446|2.612572|2.272648|2.066915|2.094998|3.204681|2.681020|5.298202|2.304049|2.060510|3.264738|2.919901|1.936904|1.718513|1.584283|1.607536|1.779795|1.976759|1.768427|48.282081|1.858495|2.105493|0.301866|0.301824|0.500000| |7.073765|8.937022|17.716469|8.960716|5.687096|4.976772|5.631788|4.080792|27.845630|5.800043|6.861758|3.331153|2.728541|2.427547|2.489059|3.978871|3.523653|7.508331|2.851188|2.565190|3.938528|3.780489|2.477877|2.122953|1.936924|1.988144|2.266931|2.583022|2.254972|58.225671|2.143885|2.442227|0.153692|0.153093|0.227544|0.500000| |4.093446|5.614695|8.878710|17.792142|8.945419|5.642555|4.918484|3.537778|47.108044|8.236463|13.138205|5.004293|3.694779|3.126895|3.189368|5.341839|5.339107|12.608369|3.625944|3.305329|4.864173|5.161429|3.312779|2.676515|2.400886|2.502449|2.991634|3.587658|2.965361|70.478939|2.604007|3.158257|0.099540|0.099401|0.113789|0.214890|0.500000| |4.088051|5.643194|4.979393|5.648886|8.932139|17.742985|8.939339|7.059463|47.693892|13.128733|8.141670|5.435196|4.821134|3.722610|3.311980|4.761824|4.306587|7.197881|2.906963|2.490274|3.895111|3.447507|2.224964|1.932053|1.752098|1.771732|1.986135|2.261893|1.953304|52.171752|2.671925|4.819567|0.107977|0.107715|0.096093|0.107973|0.124424|0.500000| |6.498715|6.645613|4.563745|3.944660|4.293711|5.891952|8.811888|17.539142|22.907242|5.637221|4.815579|3.025270|2.794021|2.508310|2.421600|3.499967|2.870528|5.127239|2.360631|2.024775|3.246552|2.745041|1.788629|1.600820|1.461896|1.460714|1.596926|1.783672|1.563432|43.825603|2.124168|2.694727|0.173541|0.211966|0.133058|0.107396|0.089959|0.152789|0.500000| |6.512387|6.658616|4.575478|3.952026|4.297703|5.899585|8.814159|17.543753|22.993806|5.871453|4.909364|2.832199|2.605061|2.286925|2.176165|3.139401|2.620809|4.725783|2.108512|1.860020|2.987705|2.572625|1.707969|1.526848|1.411617|1.429178|1.572683|1.736994|1.567458|43.288033|1.903817|2.593170|0.212393|0.173926|0.133259|0.107708|0.090110|0.153532|0.302590|0.500000| |4.731204|5.550836|4.177828|3.969814|4.782662|7.339571|8.858303|17.587673|26.425419|6.998647|5.317170|3.365848|3.178277|2.742473|2.539666|3.588544|2.992777|5.177672|2.333518|2.018904|3.238042|2.751189|1.803499|1.608202|1.474095|1.481811|1.628199|1.815058|1.605194|44.519645|2.186536|3.221011|0.133435|0.133397|0.103984|0.095976|0.090506|0.226992|0.302023|0.302247|0.500000| |1.999668|2.324377|2.377526|2.727806|3.175398|3.060339|2.586827|2.390125|27.392606|6.730241|5.903886|5.670714|8.820595|17.786718|9.119486|7.819314|4.951306|6.695173|4.171297|3.605035|6.012573|4.403985|2.786004|2.516955|2.200474|2.101607|2.244377|2.589028|2.053496|60.299398|7.139399|7.217152|0.052112|0.055696|0.052248|0.059796|0.074310|0.092045|0.064486|0.059088|0.070947|0.500000| |2.613982|3.041081|3.436084|3.899306|3.775641|3.267410|2.977482|2.529341|26.869959|5.376558|6.546827|4.871692|4.077436|4.351591|5.805988|12.546053|7.633089|14.956911|17.684009|8.809356|10.839046|9.785899|4.717375|3.878924|3.053293|2.810715|3.070135|3.930284|2.630646|74.715912|4.967126|3.085751|0.063935|0.072709|0.071991|0.091223|0.114213|0.084135|0.070662|0.062542|0.068198|0.099609|0.500000| |2.197877|2.494518|2.690392|2.988435|3.041436|2.766140|2.523736|2.239528|22.602021|4.801967|5.400966|4.255255|4.009257|4.834083|7.277374|12.393273|5.809346|9.367487|17.727767|9.003376|13.776096|7.881424|4.163131|3.735742|2.939839|2.620447|2.743193|3.368368|2.338231|70.903200|7.694639|3.066744|0.054914|0.062019|0.059853|0.071096|0.085300|0.074290|0.063013|0.055605|0.061782|0.114364|0.301752|0.500000| |2.382319|2.803133|3.323915|4.033112|3.800363|3.072641|2.719365|2.276387|30.046990|5.791947|8.506691|4.980352|3.983245|3.947710|4.748289|9.208500|7.304054|16.550814|7.747720|9.540151|10.879062|25.940859|9.284694|5.744485|4.298395|4.098839|4.907830|7.619574|3.924090|99.312940|3.951508|3.089701|0.059595|0.063763|0.066497|0.089676|0.131487|0.079096|0.061476|0.057728|0.061630|0.091191|0.220552|0.151844|0.500000| |1.650626|1.827234|2.034284|2.263757|2.198726|1.943603|1.791973|1.596926|17.113164|3.726451|4.639679|2.753972|2.578381|2.782234|3.287888|4.989630|3.290651|6.010660|4.405515|6.780176|14.612648|9.503891|8.896288|17.821393|8.929452|5.652492|4.906287|5.641239|3.533701|130.602091|3.359681|2.188472|0.042406|0.045052|0.046336|0.056214|0.069019|0.052008|0.043833|0.041389|0.043796|0.070771|0.110565|0.113343|0.143132|0.500000| |1.442432|1.577810|1.750494|1.928242|1.864918|1.660229|1.542248|1.386706|14.525625|3.245545|4.023373|2.209293|2.087525|2.176461|2.416145|3.546195|2.485432|4.570026|2.876140|3.736811|7.165049|5.653481|5.669978|8.946875|17.750934|8.958782|5.631193|4.990500|4.080260|222.822026|2.422776|1.851890|0.037571|0.039047|0.040706|0.048829|0.058911|0.044581|0.037813|0.036472|0.038045|0.056636|0.075469|0.074741|0.098220|0.215732|0.500000| |2.145354|2.495060|2.974853|3.611937|3.368712|2.716301|2.409568|2.034439|27.841006|5.581039|9.056404|3.951314|3.287989|3.098601|3.359982|5.538748|4.620737|9.549108|4.099757|4.913036|7.184654|10.109463|8.934198|5.650832|4.986506|5.690285|8.958745|17.699060|7.079225|129.764921|2.895698|2.769980|0.055007|0.056199|0.060404|0.081708|0.122458|0.070487|0.053949|0.052903|0.055222|0.074966|0.114191|0.093486|0.235011|0.124186|0.108138|0.500000| |1.615356|1.804760|2.049344|2.335127|2.247305|1.937272|1.763362|1.554734|18.265487|4.103527|5.573567|2.490872|2.275818|2.174850|2.243655|3.328925|2.610052|4.905992|2.431094|2.814664|4.692779|4.659369|4.289076|3.950651|4.576540|6.663806|8.862069|5.898609|17.569956|211.178034|2.057668|2.094540|0.042712|0.042418|0.045529|0.056899|0.073753|0.051767|0.041186|0.041462|0.042651|0.055874|0.066232|0.060394|0.094595|0.090141|0.107905|0.153563|0.500000| |1.886716|2.139910|2.501745|2.914400|2.725349|2.276922|2.061198|1.777472|22.032375|4.762003|7.115436|2.895874|2.536832|2.364735|2.448283|3.760600|3.076516|6.033950|2.735833|3.109937|4.960078|5.387347|4.779232|3.969213|4.176253|5.559960|8.883317|7.339136|17.598914|151.988520|2.182793|2.292354|0.049509|0.048968|0.053476|0.069851|0.095776|0.059720|0.046811|0.047293|0.048308|0.059488|0.076400|0.066368|0.115955|0.090474|0.096048|0.228135|0.301182|0.500000| |1.677107|1.855233|2.134185|2.391308|2.226007|1.915427|1.774177|1.556990|17.317902|3.829465|5.244702|2.344308|2.105187|2.016795|2.114214|3.204065|2.520400|4.904239|2.411513|2.782950|4.601223|4.669084|4.290387|3.947917|4.567197|6.644956|8.861406|5.904141|17.565740|210.234667|1.948120|1.917382|0.044121|0.043906|0.047952|0.060594|0.076552|0.050401|0.041470|0.041659|0.042206|0.051513|0.067422|0.059879|0.095885|0.090064|0.107666|0.153541|0.302959|0.300924|0.500000| |1.801927|2.037529|2.105851|2.351629|2.574831|2.455709|2.179231|2.023291|20.760023|4.860533|4.779030|4.002680|4.771649|7.419009|8.975518|7.722964|4.204752|6.072892|4.839795|4.267333|7.759630|4.729426|2.963624|2.797824|2.387065|2.186227|2.255103|2.598849|1.997559|62.233651|17.632531|3.909141|0.046605|0.050720|0.047940|0.054436|0.065372|0.070667|0.055970|0.050575|0.058442|0.230627|0.108158|0.149161|0.092256|0.082566|0.062442|0.072228|0.054029|0.056458|0.050574|0.500000| |1.830954|2.069478|2.194149|2.463601|2.606509|2.406015|2.152713|1.956943|20.837548|4.663287|5.001709|3.977706|4.250332|5.863757|8.846064|9.423494|4.666525|6.959353|6.934797|6.560673|12.905109|6.396145|3.839728|3.652518|2.955936|2.611536|2.665896|3.155971|2.274907|71.770513|17.603205|3.347183|0.046916|0.051252|0.049429|0.057551|0.070235|0.067166|0.054212|0.049154|0.055373|0.151519|0.139191|0.223992|0.117480|0.111962|0.076581|0.085455|0.060672|0.063592|0.057383|0.300692|0.500000| |1.972387|2.220822|2.298045|2.529461|2.710958|2.587871|2.341138|2.159324|20.719113|4.688601|4.752634|3.982592|4.320926|6.048686|8.880844|9.116581|4.583504|6.783393|6.453733|4.956268|8.831893|5.155170|3.075971|2.878418|2.402477|2.179234|2.253260|2.638922|1.980858|61.434515|17.550431|3.414235|0.050259|0.056181|0.052664|0.059684|0.069998|0.072734|0.060810|0.053489|0.061379|0.158550|0.141069|0.237057|0.101108|0.086388|0.062653|0.073537|0.052621|0.056136|0.050686|0.301979|0.301637|0.500000| |2.179769|2.617707|2.694743|3.234041|4.055377|3.829338|3.007094|2.712325|42.246998|13.578610|8.549005|6.543409|8.858861|5.943077|4.331339|5.386400|4.470170|6.538248|3.044867|2.806171|4.512103|3.862021|2.578483|2.258082|2.059373|2.082641|2.321549|2.621878|2.255391|60.949834|3.382632|17.637885|0.058161|0.058525|0.056360|0.066172|0.087407|0.121648|0.068903|0.068298|0.082155|0.156591|0.079342|0.077585|0.084386|0.060355|0.052256|0.079933|0.062223|0.067869|0.055964|0.095533|0.085133|0.083272|0.500000| |2.062803|2.425116|2.436254|2.814828|3.441967|3.426811|2.798947|2.619647|31.205530|8.908589|6.383995|5.567834|8.935163|7.594180|4.937446|5.525679|4.161729|5.941865|3.105596|2.779229|4.570482|3.640858|2.391791|2.144062|1.936299|1.911263|2.076226|2.342289|1.975121|56.134752|3.960994|17.608893|0.054814|0.056682|0.053138|0.060266|0.075121|0.109789|0.068398|0.065171|0.080413|0.240890|0.079308|0.082282|0.077729|0.058725|0.049786|0.069504|0.054319|0.058214|0.049613|0.118036|0.094780|0.097464|0.300420|0.500000| 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