Version2.4 2021-06-06T21:04:59Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 13-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC(C)(C)[C@@H]1CCc2c(c3cc(c4ccccc4c3o2)[N-]S(=O)(=O)c5cc(ccc5Cl)[N+](=O)[O-])C1 C28462732 RHF 6-31G(d) (6D,7F) CCC(C)(C)[C@@H]1CCc2c(c3cc(c4ccccc4c3o2)[N-]S(=O)(=O)c5cc(ccc5Cl)[N+](=O)[O-])C1 C01[X(C27H26Cl1N2O5S1)] 180 C1 600 CCC([C@@H]1CCc2c(C1)c1cc([N-]S(=O)(=O)c3cc(ccc3Cl)[N+](=O)[O-])c3c(c1o2)cccc3)(C)C CCC([C@@H]1CCc2c(C1)c1cc([N-]S(=O)(=O)c3cc(ccc3Cl)[N+](=O)[O-])c3c(c1o2)cccc3)(C)C CCC(C)(C)[C@@H]1CCc2oc3c(cc([N-][S](=O)(=O)c4cc(ccc4Cl)[N+]([O-])=O)c5ccccc35)c2C1 InChIKey=JBPUNWVDRUFRQK-MRXNPFEDSA-N InChI=1S/C27H26ClN2O5S/c1-4-27(2,3)16-9-12-24-20(13-16)21-15-23(18-7-5-6-8-19(18)26(21)35-24)29-36(33,34)25-14-17(30(31)32)10-11-22(25)28/h5-8,10-11,14-16H,4,9,12-13H2,1-3H3/q-1/t16-/m1/s1 InChI=1/C27H26ClN2O5S/c1-4-27(2,3)16-9-12-24-20(13-16)21-15-23(18-7-5-6-8-19(18)26(21)35-24)29-36(33,34)25-14-17(30(31)32)10-11-22(25)28/h5-8,10-11,14-16H,4,9,12-13H2,1-3H3/q-1/t16-/m1/s1 CCC(C)(C)[C@@H]1CCc2c(c3cc(c4ccccc4c3o2)[N-]S(=O)(=O)c5cc(ccc5Cl)[N+](=O)[O-])C1 C01[X(C27H26Cl1N2O5S1)] 180 C01 600 CCC([C@@H]1CCc2c(C1)c1cc([N-]S(=O)(=O)c3cc(ccc3Cl)[N+](=O)[O-])c3c(c1o2)cccc3)(C)C CCC([C@@H]1CCC2=[C]([C]3[CH][C]([N][S]([O])([O])[C]4[CH][C]([CH][CH][C]4Cl)[N]([O])[O])[C]4[C]([C]3O2)[CH][CH][CH][CH]4)C1)(C)C CCC(C)(C)[C@@H]1CCC2=C(C1)[C]3[CH][C]([N][S]([O])([O])[C]4[CH][C]([CH][CH][C]4Cl)N([O])[O])[C]5[CH][CH][CH][CH][C]5[C]3O2 InChIKey=RIWPLBZUWGLEDY-MRXNPFEDSA-N InChI=1S/C27H26ClN2O5S/c1-4-27(2,3)16-9-12-24-20(13-16)21-15-23(18-7-5-6-8-19(18)26(21)35-24)29-36(33,34)25-14-17(30(31)32)10-11-22(25)28/h5-8,10-11,14-16H,4,9,12-13H2,1-3H3/t16-/m1/s1 InChI=1/C27H26ClN2O5S/c1-4-27(2,3)16-9-12-24-20(13-16)21-15-23(18-7-5-6-8-19(18)26(21)35-24)29-36(33,34)25-14-17(30(31)32)10-11-22(25)28/h5-8,10-11,14-16H,4,9,12-13H2,1-3H3/t16-/m1/s1 4144.9632234433 -2377.6353486 1-A 27622.9961 138 462 600 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.73806 -92.05578 -20.52222 -20.51872 -20.51689 -20.39572 -20.39282 -15.77538 -15.38439 -11.23993 -11.21486 -11.18926 -11.18571 -11.17988 -11.17860 -11.17698 -11.17002 -11.16054 -11.15623 -11.15605 -11.15564 -11.15553 -11.15538 -11.15129 -11.14535 -11.14127 -11.14054 -11.13617 -11.13260 -11.12727 -11.12475 -11.12230 -11.12178 -11.12113 -11.11892 -11.09221 -10.47156 -9.02567 -7.94103 -7.93751 -7.93737 -6.71190 -6.71173 -6.71108 -1.55304 -1.35581 -1.33522 -1.31523 -1.18267 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0.8552 0.7795 0.8004 0.7232 0.5651 0.3715 0.5849 0.3109 0.2572 0.2257 0.4500 0.6077 0.8505 0.7258 0.4351 0.8475 0.8562 0.8299 0.2954 0.8567 0.3002 0.5980 0.4124 0.8027 0.7749 0.8301 0.5875 0.3663 0.6629 0.4404 0.8401 0.4923 0.8570 0.8497 0.2165 0.4806 0.8370 0.3263 0.7789 0.5665 0.5991 0.4005 0.6868 0.2535 0.6997 0.6332 0.4335 0.8543 0.6381 0.0840 0.2346 0.6238 0.8123 0.7009 0.2137 0.5728 0.6901 0.7757 0.8571 0.8214 0.8336 0.5413 0.2621 0.4057 0.5446 0.3412 0.3921 0.3500 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 6 6 6 6 6 6 1 6 6 6 6 6 6 6 6 6 6 6 6 6 6 8 7 16 8 8 6 6 6 6 6 6 17 7 8 8 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 14.00307 15.99491 15.99491 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 11699.9553 40697.0051 47723.1840 0.99971 -0.02397 0.00070 0.02398 0.99967 -0.00876 -0.00049 0.00877 0.99996 1 0.00740 0.00213 0.00181 0.15425 0.04435 0.03782 6.94 21.93 39.02 44.07 60.47 67.00 85.84 101.83 110.32 136.01 144.60 171.80 180.54 206.78 232.58 251.09 267.70 278.60 303.66 322.52 331.05 352.87 363.38 391.04 408.59 416.26 452.46 456.69 475.09 495.09 501.14 511.31 523.15 546.80 559.35 596.89 604.79 621.08 662.03 678.91 696.67 711.20 736.31 766.16 788.55 802.01 811.11 820.47 835.69 848.25 872.18 910.96 926.46 940.73 1008.66 1019.77 1026.14 1049.74 1074.61 1100.10 1132.79 1152.69 1163.80 1183.72 1214.49 1223.97 1239.36 1246.05 1251.87 1252.83 1277.46 1305.46 1351.33 1360.33 1389.92 1393.48 1402.54 1428.96 1460.22 1472.32 1477.55 1518.19 1533.50 1562.39 1571.05 1573.24 1577.58 1584.95 1585.90 1603.22 1624.06 1649.66 1653.40 1661.50 1695.48 1723.32 1733.12 1746.43 1767.10 1786.27 1787.61 1809.62 1811.28 1840.72 1842.64 1872.60 1877.16 1880.24 1909.39 1924.81 1944.82 1952.01 1955.63 1981.61 1992.66 1998.58 2006.30 2032.69 2074.87 2098.28 2106.31 2124.92 2167.17 2180.18 2188.99 2201.65 2219.23 2231.48 2243.75 2252.99 2267.07 2273.38 2298.61 2317.27 2334.51 2350.73 2351.69 2357.29 2358.74 2363.00 2368.00 2377.80 2381.23 2386.30 2395.09 2401.80 2421.79 2528.89 2546.62 2552.99 2561.07 2628.78 2669.82 2670.37 4555.86 4573.13 4593.96 4599.20 4609.83 4610.38 4617.75 4625.85 4641.19 4656.90 4681.38 4684.69 4693.95 4700.26 4703.60 4711.38 4722.57 4732.42 4797.77 4828.41 4856.93 4891.55 4895.10 4930.81 4949.96 4975.41 0.523746 0.553679 0.554623 0.458812 -2377.111603 -2377.081670 -2377.080726 -2377.176537 3.213517D-04 MUNgauss RevisionA2.1 retrievium 06-Jun-2021 DUDE CCC(C)(C)[C@@H]1CCc2c(c3cc(c4ccccc4c3o2)[N-]S(=O)(=O)c5cc(ccc5Cl)[N+](=O)[O-])C1 C28462732 RHF 6-31G(d) (6D,10F) C1 525.125097 |X|Y|Z| 72.643758 144.711166 37.476739 73.308451 25 6 7 8 16 22 1 1 1 |36.858105| |12.430516|36.858105| |7.231338|12.273275|36.858105| |6.031393|7.589136|12.371692|36.858105| |6.239463|7.494604|12.375837|7.626756|36.858105| |4.822567|7.553922|12.163819|7.496814|7.422752|36.858105| |4.680615|7.428638|8.896699|6.715475|5.505458|17.477917|0.500000| |4.199142|6.005697|7.306864|4.842280|6.360204|12.321730|0.247773|36.858105| |3.250672|4.321645|4.816031|3.736429|4.230262|7.447435|0.197697|12.401908|36.858105| |2.863111|3.688871|4.366005|3.696462|3.838013|6.758559|0.179657|7.781660|12.806857|36.858105| |2.956533|3.799479|4.856366|4.356736|4.189846|7.607258|0.190909|6.795478|7.554555|14.258914|36.858105| |2.438039|2.977054|3.619274|3.480248|3.255433|4.867800|0.130092|4.515471|5.175201|8.572243|13.120877|36.858105| |2.221336|2.626374|3.174587|3.240459|2.908378|3.920785|0.105225|3.518114|3.768664|5.257771|7.215679|13.456825|36.858105| |1.918536|2.219414|2.587375|2.634067|2.411014|3.087416|0.084317|2.880421|3.145962|4.167027|4.976355|7.894700|13.867935|36.858105| |1.803112|2.085771|2.372478|2.345448|2.219065|2.856945|0.078946|2.787453|3.188492|4.214981|4.545488|6.868824|7.822917|13.051205|36.858105| |1.591234|1.808397|2.017476|2.004249|1.907309|2.358836|0.065491|2.322572|2.622373|3.259661|3.402540|4.549243|5.106105|7.627942|13.469819|36.858105| |1.498023|1.695419|1.860126|1.822898|1.765463|2.166866|0.060476|2.182808|2.502324|3.021522|3.009075|3.791621|3.920211|5.073491|7.857516|13.957813|36.858105| |1.559368|1.779094|1.937745|1.862203|1.834561|2.291307|0.064193|2.366431|2.803635|3.379215|3.201743|3.934217|3.749837|4.458341|6.771409|7.917498|13.512458|36.858105| |1.748214|2.029467|2.230669|2.111994|2.093558|2.718078|0.076129|2.843888|3.506053|4.436912|4.050449|5.093093|4.459668|5.013884|7.771041|6.850624|7.932183|13.992977|36.858105| |1.911245|2.245405|2.536840|2.427516|2.358240|3.157600|0.087689|3.200901|3.893640|5.393069|5.297084|7.830191|6.669371|7.593974|13.478858|7.873195|6.841533|7.906528|13.457417|36.858105| |2.221704|2.685502|3.109720|2.907443|2.839307|4.108705|0.112989|4.176378|5.311673|8.813702|8.538811|13.985611|7.875388|6.799907|7.950313|5.168993|4.544473|5.122173|7.650281|13.520571|36.858105| |2.388294|2.942801|3.339013|2.967223|3.031863|4.585781|0.126948|5.126695|7.716929|14.117854|8.523551|8.456994|5.307914|4.584445|5.152746|3.900519|3.700909|4.375835|6.360214|7.709103|13.948199|73.516695| |1.746393|1.977826|2.278646|2.370353|2.148408|2.611159|0.071423|2.423337|2.575839|3.218369|3.751362|5.118718|7.749023|13.831527|7.967327|6.901952|4.618618|3.807553|3.935446|5.138330|4.564942|6.123187|53.358707| |1.770659|1.979799|2.298705|2.470885|2.177407|2.550823|0.069303|2.306234|2.362400|2.863629|3.412128|4.283837|6.281888|7.420003|4.933251|4.422367|3.359726|2.908854|3.022045|3.757606|3.630534|5.177570|16.682777|388.023441| |1.849320|2.066819|2.385179|2.639290|2.205077|2.618692|0.072562|2.301653|2.335490|2.794201|3.350868|4.033703|5.608104|5.862239|4.179516|3.725918|2.956492|2.631186|2.759906|3.380862|3.376248|4.943650|10.220755|93.390684|73.516695| |1.831727|2.034098|2.404519|2.592446|2.337736|2.622879|0.069400|2.372856|2.369394|2.838774|3.426170|4.122451|5.786019|5.930395|4.183734|3.696367|2.934884|2.622291|2.762462|3.396733|3.416926|5.000075|10.173405|93.589533|13.953148|73.516695| |1.520096|1.668969|1.889852|2.015084|1.812062|2.055468|0.056206|1.899396|1.951333|2.290056|2.602347|3.124770|4.046090|4.871415|3.906416|3.961006|3.139681|2.642127|2.615480|3.050904|2.838966|4.203959|10.130283|75.165422|13.158198|12.999059|36.858105| |1.457269|1.588517|1.775116|1.911166|1.687611|1.909229|0.052842|1.753397|1.795978|2.075056|2.334357|2.729409|3.401134|3.921749|3.286511|3.361994|2.773378|2.368639|2.333875|2.663743|2.502157|3.786021|7.299622|49.735595|12.156949|9.247626|13.739482|36.858105| |1.319281|1.424733|1.573501|1.682016|1.507101|1.677667|0.046460|1.558790|1.596815|1.816410|2.005218|2.300685|2.756566|3.141130|2.776874|2.927058|2.509156|2.148590|2.082085|2.309018|2.156575|3.326184|5.497236|33.647982|8.142106|7.004242|7.949539|13.792972|36.858105| |1.246929|1.342739|1.481174|1.565538|1.434683|1.578619|0.043431|1.486129|1.525166|1.727769|1.888493|2.162358|2.555451|2.931919|2.659411|2.866736|2.494838|2.122794|2.030801|2.221201|2.054767|3.184221|5.061243|29.425302|6.639798|6.498446|6.793720|7.885491|13.779908|36.858105| |1.285410|1.390028|1.545614|1.621027|1.508504|1.657951|0.045233|1.571439|1.616331|1.845435|2.021643|2.343163|2.797531|3.271486|2.956798|3.211395|2.750669|2.312028|2.207324|2.430319|2.228614|3.419689|5.776795|32.888739|6.799780|7.482688|7.872971|6.889287|8.041873|13.836560|36.858105| |1.412956|1.542066|1.737147|1.824726|1.691548|1.882613|0.051109|1.773785|1.826399|2.122235|2.364830|2.808025|3.490362|4.203489|3.610478|3.829783|3.119666|2.599231|2.520192|2.862694|2.622779|3.932941|8.055123|47.752844|8.691781|10.524663|13.693565|7.983669|6.956628|7.928808|13.702735|36.858105| |1.437898|1.573952|1.786496|1.843384|1.768580|1.949202|0.052151|1.870036|1.930116|2.252845|2.495665|2.978929|3.645081|4.381686|3.864816|4.065295|3.328859|2.792486|2.717292|3.086706|2.812709|4.206138|7.735727|40.368673|7.153501|10.458721|6.941868|4.751567|4.265101|4.814351|7.166947|11.009441|448.794386| |1.259474|1.351215|1.475761|1.584267|1.406883|1.559971|0.043529|1.446200|1.477495|1.659832|1.817794|2.046677|2.392412|2.654203|2.392712|2.504967|2.205870|1.924670|1.868407|2.044519|1.928612|3.023533|4.403940|26.246984|6.839284|5.614607|5.116724|7.781293|13.098606|7.803817|5.153569|4.543561|25.830499|53.358707| |1.309044|1.404936|1.530689|1.657851|1.445982|1.614295|0.045346|1.482514|1.510939|1.695162|1.863864|2.085879|2.433824|2.655957|2.374802|2.440563|2.147930|1.896099|1.860205|2.046014|1.951229|3.067667|4.330168|26.081703|7.278230|5.512996|4.661641|7.052871|8.370541|5.427397|4.102883|3.910235|23.215618|21.746529|73.516695| |1.167605|1.245738|1.351871|1.442348|1.296110|1.422774|0.039657|1.329693|1.358425|1.512743|1.639942|1.829474|2.100976|2.318299|2.135263|2.257200|2.029414|1.780380|1.715982|1.850261|1.742603|2.760568|3.758038|21.720734|5.528017|4.808206|4.079988|5.418607|8.377080|7.109178|4.698390|3.914317|23.364248|21.628191|16.035670|73.516695| |3.649020|4.871790|7.284167|6.529594|5.794470|12.317786|0.249216|7.561098|6.246717|7.617145|12.688379|7.093573|5.570535|3.992970|3.502124|2.780409|2.472468|2.568407|3.075571|3.785085|5.136013|9.236808|4.445365|22.725856|5.771906|5.914264|2.454855|2.235048|1.925326|1.803366|1.912660|2.218833|18.546856|2.398819|3.235327|2.828321|36.858105| |17.532470|8.834289|5.370492|4.656854|4.693509|4.073509|0.114710|3.711555|3.010946|2.629976|2.658365|2.228923|2.032169|1.779475|1.690758|1.504528|1.427448|1.490763|1.663556|1.797311|2.067473|3.972758|2.212608|11.654031|3.046548|2.985939|1.421819|1.370571|1.247694|1.180239|1.212299|1.324836|10.787529|1.629530|2.213809|1.979686|3.150243|0.500000| |17.559760|8.722275|6.462868|5.226992|6.825934|4.423733|0.113701|4.087994|3.128659|2.743932|2.817550|2.335974|2.132341|1.850020|1.743231|1.543550|1.456523|1.516664|1.696381|1.847417|2.138876|4.091831|2.297882|12.169938|3.139903|3.179893|1.476139|1.408225|1.279273|1.216452|1.259202|1.382617|11.389133|1.657332|2.238153|2.012763|3.442600|0.302687|0.500000| |17.568165|8.691760|6.514934|6.600520|5.622739|4.366941|0.118638|3.649498|2.910336|2.661070|2.816731|2.366090|2.200888|1.902689|1.768279|1.565040|1.464741|1.510567|1.682170|1.848741|2.131406|3.991653|2.381733|12.791155|3.373911|3.315942|1.545430|1.489521|1.347430|1.268264|1.302104|1.429829|11.594350|1.756799|2.393965|2.124249|3.511252|0.302839|0.301799|0.500000| |8.963096|17.558631|8.781465|5.523219|6.660511|7.148717|0.194697|6.923621|4.867670|3.860337|3.763961|2.933239|2.536254|2.164090|2.071699|1.800037|1.705250|1.810934|2.077011|2.268042|2.719507|5.461796|2.607265|13.429397|3.461594|3.437863|1.602480|1.519869|1.369026|1.297617|1.347591|1.491955|12.316316|1.764403|2.385416|2.131892|4.544386|0.216955|0.213001|0.173393|0.500000| |8.895508|17.512079|8.855282|7.131173|5.496876|6.947076|0.225962|5.300947|4.181609|3.657428|3.771055|2.998059|2.654087|2.250422|2.116797|1.836513|1.721302|1.804767|2.056816|2.275717|2.711687|5.253185|2.730850|14.259902|3.777123|3.604659|1.690300|1.621619|1.451935|1.359689|1.399203|1.550183|12.565562|1.883804|2.573784|2.263391|4.705002|0.217079|0.173023|0.208899|0.305112|0.500000| |6.828836|7.014953|8.744901|17.564177|6.853484|5.452233|0.140441|3.997780|3.158368|3.074419|3.498635|2.911494|2.764216|2.312511|2.076452|1.805756|1.653985|1.683979|1.885544|2.133952|2.495729|4.526909|2.888398|15.868105|4.238740|4.177934|1.860343|1.779864|1.582359|1.476335|1.521224|1.695449|13.702335|2.043918|2.794716|2.443525|4.791406|0.141894|0.163452|0.240267|0.141093|0.179295|0.500000| |4.625926|5.485663|8.709264|17.587676|7.028205|6.671129|0.158337|4.513977|3.581359|3.719737|4.605999|3.759867|3.610342|2.878554|2.498583|2.120242|1.903193|1.923806|2.177621|2.541816|3.041127|5.357694|3.539855|19.660307|5.230383|5.282467|2.211896|2.076813|1.811155|1.683943|1.753518|1.993352|16.220262|2.301229|3.137330|2.723104|7.156375|0.103648|0.119166|0.138701|0.122730|0.143007|0.303799|0.500000| |5.320093|6.819395|8.724015|17.534130|5.506877|6.959515|0.202213|4.489380|3.685180|3.713250|4.377096|3.559604|3.329406|2.712209|2.412913|2.059948|1.870221|1.907815|2.163238|2.491758|2.976045|5.360658|3.319760|18.040223|4.937497|4.611284|2.063451|1.977805|1.733572|1.598692|1.642862|1.847566|14.770342|2.235715|3.082166|2.647715|6.228065|0.122330|0.123127|0.161757|0.141868|0.211060|0.301809|0.301875|0.500000| |5.915220|6.958091|8.693112|5.508066|17.549935|6.555285|0.139986|6.888869|4.452251|3.806567|3.916917|3.059703|2.688696|2.267759|2.132439|1.844861|1.728734|1.815778|2.075736|2.300141|2.759179|5.382436|2.742713|14.300406|3.583745|3.811663|1.694840|1.577540|1.418690|1.359004|1.431486|1.597044|13.498182|1.804026|2.412360|2.181252|4.967600|0.130041|0.192160|0.138010|0.200371|0.140678|0.141978|0.140743|0.122332|0.500000| |4.641806|5.457572|8.734306|6.746584|17.563253|6.913979|0.139838|6.022756|4.194902|4.025158|4.579129|3.575152|3.221762|2.632901|2.389297|2.036856|1.867391|1.928679|2.204912|2.518480|3.046741|5.662850|3.182677|16.930903|4.223477|4.641192|1.957121|1.800630|1.599356|1.526785|1.618384|1.830454|15.537833|2.013864|2.691281|2.417071|6.455764|0.103213|0.137655|0.122299|0.139529|0.122984|0.162483|0.203037|0.139658|0.301861|0.500000| |6.760030|6.647347|8.749519|7.164348|17.554267|5.427993|0.123289|4.703800|3.422092|3.163388|3.446041|2.807596|2.586619|2.183743|2.004989|1.747717|1.620373|1.670603|1.879990|2.100074|2.468891|4.611246|2.700265|14.504581|3.696799|3.908078|1.720395|1.614694|1.450334|1.380672|1.444772|1.608691|13.416453|1.853279|2.491112|2.236474|4.559735|0.136857|0.222249|0.180640|0.157473|0.139227|0.211561|0.182854|0.143015|0.302258|0.303196|0.500000| |3.842822|5.050581|6.460263|4.493595|6.834341|8.811367|0.174676|17.535238|8.894179|6.855342|6.353073|4.415178|3.506560|2.878749|2.771252|2.315331|2.170291|2.339519|2.793266|3.149332|4.053610|8.560370|3.312531|16.530496|4.048547|4.343138|1.916624|1.752093|1.560177|1.498255|1.596741|1.807059|15.532359|1.958166|2.605228|2.356000|7.052833|0.093417|0.108737|0.094349|0.155468|0.120663|0.105422|0.122470|0.111307|0.215637|0.197393|0.137345|0.500000| |4.718842|6.800323|6.901238|4.487433|6.176252|8.705643|0.206248|17.574464|8.871183|5.634709|4.940750|3.614550|2.940458|2.482318|2.425690|2.069195|1.969917|2.136855|2.521646|2.757718|3.441271|7.413691|2.904409|14.544559|3.651455|3.730606|1.717723|1.601093|1.436600|1.372236|1.443102|1.611936|13.572209|1.828229|2.449993|2.207027|5.482202|0.118155|0.128862|0.108347|0.256496|0.159438|0.107851|0.111740|0.115578|0.204747|0.148949|0.131557|0.303871|0.500000| |2.917329|3.687565|3.997976|3.168440|3.767480|5.458366|0.142155|8.783143|17.527012|8.954754|5.788018|4.453548|3.360342|2.906427|3.021233|2.535696|2.468591|2.810372|3.500952|3.724302|4.832766|12.576951|3.277038|15.597493|3.797333|3.931548|1.843803|1.692353|1.518015|1.463417|1.557428|1.749995|15.021116|1.909971|2.534929|2.307098|4.842263|0.076029|0.079870|0.072490|0.116980|0.097503|0.076657|0.085356|0.085654|0.114076|0.104819|0.086469|0.220444|0.208277|0.500000| |3.252881|4.340761|4.470232|3.554571|3.764226|6.505689|0.200768|8.763912|17.488770|8.941429|6.046051|4.506290|3.409490|2.913992|2.982880|2.496432|2.409425|2.710710|3.349506|3.620461|4.721649|11.772493|3.292293|15.801525|3.970262|3.896666|1.857125|1.731321|1.545651|1.469941|1.544107|1.731148|14.476426|1.963559|2.635978|2.361124|5.235951|0.085903|0.084998|0.080591|0.137810|0.122422|0.084531|0.092158|0.100750|0.109215|0.100359|0.087199|0.174028|0.218181|0.303213|0.500000| |2.318784|2.719949|3.359501|3.581955|3.079933|4.001484|0.105857|3.430973|3.477545|4.575399|6.441436|8.828793|17.760280|8.943240|5.567096|4.123675|3.268813|3.105854|3.564815|4.849243|5.636214|7.679374|9.435255|49.744198|11.709588|12.396678|4.217251|3.564068|2.844238|2.602389|2.826984|3.541272|29.014295|3.364007|4.506324|3.830481|5.867297|0.058339|0.061746|0.064718|0.071496|0.076137|0.084482|0.115113|0.101841|0.077205|0.095960|0.076840|0.095582|0.080201|0.085620|0.087726|0.500000| |1.521725|1.712628|1.910989|1.926784|1.814329|2.193609|0.060771|2.131025|2.349097|2.863515|3.052983|3.976024|4.717571|7.121289|8.922937|17.780619|8.971708|5.628380|4.945320|5.632065|4.206992|5.837312|10.950842|35.633920|7.237087|7.137713|4.811313|3.982656|3.448970|3.401303|3.876355|4.711128|38.747840|3.902500|4.885030|4.555021|2.586328|0.039946|0.041031|0.041868|0.047011|0.048315|0.048555|0.056962|0.055005|0.048465|0.053902|0.046599|0.059213|0.053070|0.062878|0.062259|0.111318|0.500000| |1.382029|1.548216|1.685061|1.659215|1.607741|1.931578|0.053939|1.943604|2.196114|2.581807|2.574743|3.136606|3.277693|4.126995|5.605124|8.988153|17.697341|8.833572|5.651630|4.934108|3.615989|5.456700|5.468555|21.728482|4.812315|4.766089|3.004063|2.696800|2.504163|2.530567|2.778619|3.057351|25.882349|3.011713|3.790545|3.663044|2.175162|0.036718|0.037393|0.037637|0.043217|0.043658|0.042187|0.048024|0.047242|0.043790|0.047073|0.041317|0.053773|0.049267|0.060467|0.059123|0.078596|0.215776|0.500000| |1.469462|1.664371|1.789492|1.712151|1.702102|2.092222|0.058757|2.183915|2.580029|2.996024|2.793174|3.280216|3.105141|3.560874|4.896841|5.642444|8.827275|17.687728|8.998051|5.621648|4.139416|6.738653|4.286914|17.825934|4.086200|4.071016|2.329258|2.120962|1.957145|1.946770|2.103196|2.315111|19.882948|2.415386|3.104518|2.949352|2.292560|0.039262|0.039789|0.039452|0.047319|0.046873|0.043337|0.048785|0.048643|0.047134|0.049362|0.043260|0.059936|0.055571|0.072917|0.070071|0.073552|0.123929|0.213475|0.500000| |1.791561|2.089169|2.268051|2.106831|2.128298|2.783670|0.078278|3.005763|3.845729|4.707040|4.011135|4.668065|3.892334|4.091775|5.577134|4.940479|5.627570|8.967006|17.717456|8.859669|6.995092|12.551163|4.471896|18.792651|4.373230|4.383735|2.298655|2.078154|1.869974|1.824284|1.967145|2.218273|19.152698|2.311223|3.018046|2.789049|3.050203|0.047584|0.048348|0.047452|0.060213|0.058713|0.052306|0.059617|0.059782|0.059368|0.061690|0.052841|0.081382|0.074604|0.109734|0.103095|0.088999|0.107397|0.123945|0.215705|0.500000| |1.525003|1.665548|1.859210|2.026149|1.746015|1.996530|0.055722|1.809020|1.847260|2.133542|2.417987|2.806962|3.498851|3.913818|3.237185|3.219224|2.667827|2.317856|2.315613|2.661017|2.541157|3.856947|6.981139|48.475122|14.776923|8.819162|8.984349|17.805175|8.896066|5.624324|4.967317|5.681182|31.450285|9.700039|13.946819|8.771320|2.337406|0.039840|0.040674|0.043489|0.044006|0.047574|0.052336|0.061077|0.058909|0.045088|0.051483|0.046448|0.049798|0.045893|0.047928|0.049762|0.103533|0.102807|0.071264|0.057650|0.057617|0.500000| |1.166633|1.249387|1.368075|1.441814|1.328617|1.450189|0.039956|1.371930|1.406850|1.578049|1.708650|1.932067|2.237588|2.530774|2.344855|2.537189|2.265431|1.947944|1.854370|1.997664|1.852437|2.907139|4.210404|23.876287|5.528798|5.415597|4.916603|5.631431|8.919340|17.793089|8.913989|5.636947|31.895654|9.787620|8.834950|14.214953|1.637478|0.030782|0.031658|0.032957|0.033604|0.035136|0.037980|0.042833|0.040859|0.035087|0.039104|0.035645|0.038404|0.035396|0.037645|0.037793|0.063068|0.082100|0.064571|0.050228|0.046652|0.123966|0.500000| |1.224041|1.319031|1.461561|1.520791|1.437610|1.564012|0.042530|1.497310|1.540799|1.746548|1.893641|2.175372|2.543762|2.945072|2.735473|2.999313|2.636367|2.229174|2.111569|2.288269|2.094033|3.245771|4.985535|27.273091|5.688807|6.494085|5.630903|4.963905|5.688765|8.946774|17.759101|8.940494|55.559000|5.677491|6.052676|7.174411|1.789784|0.032120|0.033447|0.034350|0.035670|0.036739|0.039777|0.045550|0.042582|0.038103|0.042839|0.038291|0.042453|0.038329|0.041552|0.040826|0.070811|0.098881|0.074944|0.056910|0.052554|0.107826|0.214153|0.500000| |3.543345|4.589400|6.550170|7.211435|5.012741|8.766832|0.221387|5.514480|4.851370|5.840928|8.994389|6.549936|5.805617|4.115549|3.472047|2.774967|2.433932|2.478744|2.911692|3.599090|4.659697|7.907786|4.681920|24.732697|6.565493|6.344230|2.619763|2.411676|2.052926|1.894899|1.990801|2.315966|18.890276|2.567416|3.499558|3.002029|17.580951|0.085388|0.090805|0.098244|0.113851|0.129407|0.143200|0.231045|0.210478|0.116719|0.150426|0.117271|0.141291|0.122643|0.108272|0.122215|0.183582|0.072830|0.059801|0.061332|0.078811|0.071247|0.047600|0.051226|0.500000| 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