Version2.0 2020-01-23T07:50:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 12-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc2c(cc1CNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(cc5F)C(F)(F)F)OCO2 C39610143 RHF 6-31G(d) (6D,7F) c1cc2c(cc1CNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(cc5F)C(F)(F)F)OCO2 C01[X(C25H26F4N3O4)] 180 C1 592 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(cc1F)C(F)(F)F)NCc1ccc2c(c1)OCO2 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(cc1F)C(F)(F)F)NCc1ccc2c(c1)OCO2 Fc1cc(ccc1C(=O)N2C[C@H](C(=O)NCc3ccc4OCOc4c3)C5(CC[NH2+]CC5)C2)C(F)(F)F InChIKey=JKXUTSSFNBXTCI-GOSISDBHSA-O InChI=1S/C25H25F4N3O4/c26-19-10-16(25(27,28)29)2-3-17(19)23(34)32-12-18(24(13-32)5-7-30-8-6-24)22(33)31-11-15-1-4-20-21(9-15)36-14-35-20/h1-4,9-10,18,30H,5-8,11-14H2,(H,31,33)/p+1/t18-/m1/s1 InChI=1/C25H25F4N3O4/c26-19-10-16(25(27,28)29)2-3-17(19)23(34)32-12-18(24(13-32)5-7-30-8-6-24)22(33)31-11-15-1-4-20-21(9-15)36-14-35-20/h1-4,9-10,18,30H,5-8,11-14H2,(H,31,33)/p+1/t18-/m1/s1/fC25H26F4N3O4/h30-31H/q+1 c1cc2c(cc1CNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(cc5F)C(F)(F)F)OCO2 C01[X(C25H26F4N3O4)] 180 C01 592 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(cc1F)C(F)(F)F)NCc1ccc2c(c1)OCO2 O=C([C@H]1CN(CC21CC[NH2]CC2)C(=O)c1ccc(cc1F)C(F)(F)F)NCc1ccc2c(c1)OCO2 Fc1cc(ccc1C(=O)N2C[C@H](C(=O)NCc3ccc4OCOc4c3)C5(CC[NH2]CC5)C2)C(F)(F)F InChIKey=UFEAUMKPMBTJDE-GOSISDBHSA-N InChI=1S/C25H26F4N3O4/c26-19-10-16(25(27,28)29)2-3-17(19)23(34)32-12-18(24(13-32)5-7-30-8-6-24)22(33)31-11-15-1-4-20-21(9-15)36-14-35-20/h1-4,9-10,18H,5-8,11-14,30H2,(H,31,33)/t18-/m1/s1 InChI=1/C25H26F4N3O4/c26-19-10-16(25(27,28)29)2-3-17(19)23(34)32-12-18(24(13-32)5-7-30-8-6-24)22(33)31-11-15-1-4-20-21(9-15)36-14-35-20/h1-4,9-10,18H,5-8,11-14,30H2,(H,31,33)/t18-/m1/s1/f/h31H 3849.6778666361 -1822.2242844 1-A 30309.0300 132 460 592 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.43201 -26.41296 -26.41231 -26.40778 -20.67301 -20.67077 -20.62728 -20.62490 -15.86709 -15.69229 -15.68587 -11.58206 -11.45465 -11.45313 -11.45260 -11.45248 -11.43875 -11.41559 -11.39159 -11.38498 -11.38106 -11.38051 -11.37268 -11.36914 -11.36708 -11.36669 -11.36020 -11.35654 -11.35169 -11.34904 -11.34805 -11.34019 -11.31948 -11.31350 -11.31026 -11.30889 -1.81157 -1.74583 -1.70976 -1.70511 -1.56088 -1.50181 -1.49837 -1.49549 -1.44970 -1.37387 -1.33664 -1.28278 -1.25994 -1.23771 -1.21616 -1.18014 -1.16300 -1.13403 -1.12768 -1.11129 -1.10017 -1.06336 -1.04788 -1.04363 -1.03655 -0.99845 -0.97595 -0.96369 -0.96185 -0.95379 -0.92746 -0.91989 -0.89811 -0.89688 -0.89669 -0.89589 -0.89315 -0.87800 -0.85770 -0.83879 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1364.1809 1371.8837 1375.2720 1387.5137 1398.6677 1404.3172 1417.6102 1422.4364 1450.1824 1453.4302 1462.1730 1482.7688 1483.5320 1503.2345 1516.1228 1522.7815 1540.2396 1545.3895 1555.5183 1560.6450 1566.5198 1569.0460 1582.4694 1585.3841 1592.8461 1610.9782 1629.2701 1641.2136 1644.9037 1659.5612 1663.7961 1673.6471 1674.5689 1680.0307 1693.1016 1706.9948 1712.8506 1776.6998 1817.8302 1828.0152 1831.4459 1843.5147 1921.4001 1941.0811 3197.4469 3208.2433 3244.0145 3248.1052 3261.0498 3263.7836 3270.9177 3279.4181 3288.8793 3299.5435 3301.6076 3305.9713 3329.7809 3337.1326 3347.3667 3348.0454 3360.4562 3372.1557 3387.1859 3404.4904 3408.6987 3415.9877 3419.7097 3667.0498 3730.5717 3875.2693 6.8244 16.1541 8.0214 5.4299 7.4809 7.5388 5.6179 5.9428 8.1977 5.3910 2.8882 3.2856 4.8595 5.3397 6.2685 5.3972 4.5807 4.8488 6.3979 5.1010 6.1209 3.9332 5.1142 6.2711 2.9971 3.9200 3.5142 4.2100 3.4737 4.2634 7.0390 5.2575 2.8928 2.7247 4.4469 3.9956 6.7794 3.2769 2.8105 3.2601 2.9360 3.3605 3.2908 1.6811 4.8459 4.5622 3.1343 9.3551 5.6773 6.3998 5.8563 4.6758 3.0992 8.0422 4.9093 4.2294 5.2514 4.4895 6.2920 11.9910 5.7924 4.7390 3.4018 2.2684 2.7872 3.3371 4.9038 6.3154 1.3956 1.4961 2.7249 2.0746 2.1446 1.4175 4.2139 1.5994 2.5324 3.5580 2.9940 1.8892 1.3743 1.9967 1.7199 1.8357 1.5660 2.3293 6.4769 1.9818 2.4049 4.1436 2.3574 2.5305 4.1422 2.8216 2.3651 2.1509 2.0606 1.4459 1.5306 5.9451 1.6100 1.9351 2.4584 1.7566 2.2993 1.3959 1.2382 1.2348 2.6597 1.7209 6.1638 1.2740 2.1919 1.5925 5.7012 1.6814 1.5759 1.3719 1.1794 1.2553 1.3829 3.0134 3.2691 1.4500 1.5346 1.5766 1.7792 1.4975 1.3379 2.1276 1.7168 1.5453 1.3858 1.4304 4.5060 3.3381 1.0992 1.0830 1.0887 1.0909 1.1127 1.1604 2.5234 1.1862 2.6737 2.1616 1.1356 7.9691 6.9631 1.0769 7.0473 6.4805 8.5671 12.3457 1.0748 1.0733 1.0837 1.0659 1.0628 1.0622 1.0688 1.0610 1.0669 1.0955 1.1058 1.1024 1.0923 1.1114 1.1020 1.1115 1.1044 1.0913 1.0932 1.0911 1.0956 1.0939 1.0964 1.0560 1.0960 1.0794 0.0001 0.0009 0.0006 0.0013 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14.8213 13.5570 2.1203 13.9271 12.9763 18.6347 27.4065 6.4743 6.5086 6.7191 6.6254 6.6588 6.6665 6.7371 6.7229 6.7992 7.0270 7.1022 7.0987 7.1357 7.2926 7.2748 7.3405 7.3477 7.3118 7.3900 7.4512 7.5002 7.5207 7.5546 8.3667 8.9870 9.5504 1.3833 0.7466 0.7117 0.5648 1.0390 1.7775 7.9796 10.9818 1.8114 0.1868 8.9421 5.4464 6.9043 1.1761 0.4730 2.0904 0.2334 2.2349 4.2203 2.6208 1.4415 9.5186 4.5319 4.2609 6.3519 11.8328 10.1566 9.0776 14.7472 2.2493 2.5136 2.2034 4.5508 9.2922 2.2010 4.4772 7.2082 6.4759 16.9727 4.7536 16.7293 9.6078 9.5538 36.6033 37.0027 3.3330 3.3813 31.0134 2.4868 14.9904 2.3451 7.0176 12.4854 2.4405 6.0534 9.4912 0.3491 9.1562 7.3652 35.9323 9.5144 3.3009 2.4324 8.5368 5.8522 9.0197 12.6040 13.4207 33.9490 19.0889 9.6623 28.4569 5.0608 21.2234 32.1513 31.8499 2.4688 25.9107 31.8008 24.3267 1.2736 0.8691 4.0188 32.5480 1.6035 5.4164 62.7554 4.3548 6.2078 20.9793 3.4059 95.5071 73.4647 14.4043 31.0728 36.8173 13.7878 2.1618 27.6878 84.9208 31.8819 27.3409 227.9216 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12.00000 12.00000 12.00000 18.99840 12.00000 18.99840 18.99840 18.99840 15.99491 12.00000 15.99491 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 6630.2010 53133.9524 56621.0226 0.99999 -0.00306 0.00177 0.00306 1.00000 0.00027 -0.00177 -0.00026 1.00000 1 0.01306 0.00163 0.00153 0.27220 0.03397 0.03187 6.77 14.31 15.98 28.44 41.05 49.49 55.71 77.41 105.97 116.88 136.65 142.35 176.26 183.46 217.38 233.46 254.96 266.56 290.78 323.18 326.67 347.55 365.75 389.65 409.20 413.32 431.07 440.59 483.67 498.83 522.17 535.65 561.14 608.09 618.46 640.33 665.40 672.75 682.99 714.99 727.32 747.37 766.76 781.30 801.63 828.88 835.65 854.50 892.65 943.09 956.45 1006.68 1031.38 1049.62 1082.14 1101.49 1144.70 1153.35 1156.12 1176.74 1202.96 1213.66 1225.77 1251.78 1256.81 1265.90 1283.89 1293.54 1348.99 1350.77 1371.24 1384.15 1402.41 1416.33 1423.78 1452.82 1456.60 1463.06 1488.41 1520.22 1522.53 1536.83 1566.39 1574.33 1603.74 1607.18 1622.95 1636.90 1641.03 1673.09 1685.87 1694.74 1696.65 1739.01 1750.11 1763.28 1765.78 1780.79 1814.36 1823.94 1850.47 1858.70 1878.80 1902.71 1905.87 1918.35 1934.42 1938.22 1947.96 1954.08 1962.75 1973.83 1978.71 1996.32 2012.37 2020.50 2039.62 2046.57 2086.49 2091.16 2103.74 2133.37 2134.47 2162.82 2181.36 2190.94 2216.06 2223.47 2238.04 2245.42 2253.87 2257.51 2276.82 2281.01 2291.75 2317.84 2344.16 2361.34 2366.65 2387.74 2393.83 2408.00 2409.33 2417.19 2436.00 2455.98 2464.41 2556.27 2615.45 2630.11 2635.04 2652.41 2764.47 2792.78 4600.41 4615.95 4667.41 4673.30 4691.92 4695.86 4706.12 4718.35 4731.96 4747.31 4750.28 4756.56 4790.81 4801.39 4816.11 4817.09 4834.95 4851.78 4873.41 4898.30 4904.36 4914.84 4920.20 5276.07 5367.46 5575.65 0.536096 0.565563 0.566507 0.468298 -1821.688189 -1821.658722 -1821.657777 -1821.755986 3.293946D-04 MUNgauss RevisionA2.0 retrievium 23-Jan-2020 DUDE c1cc2c(cc1CNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(cc5F)C(F)(F)F)OCO2 C39610143 RHF 6-31G(d) (6D,10F) C1 508.185945 |X|Y|Z| 54.072290 31.719300 162.415915 65.309393 29 6 7 8 24 3 2 |36.858105| |13.570675|36.858105| |8.085150|13.981046|36.858105| |6.985840|7.931074|13.741400|36.858105| |7.884970|6.738148|7.923521|13.989435|36.858105| |13.807200|7.829872|6.935239|8.046867|13.521756|36.858105| |7.586292|4.992336|4.474830|5.076672|7.559577|12.613116|36.858105| |5.560436|4.114195|3.841683|4.394867|6.133780|7.801593|13.023266|53.358707| |4.042909|3.198431|3.040459|3.437292|4.477874|5.150362|7.749806|19.353485|36.858105| |3.614074|2.895897|2.756909|3.098892|3.970896|4.510644|6.807875|11.571725|15.790273|73.516695| |3.311138|2.763741|2.663161|2.959315|3.618571|3.938367|4.996664|10.693842|12.468345|14.166711|36.858105| |3.435159|2.916345|2.848616|3.184669|3.850731|4.074840|4.809860|10.373986|8.890432|10.509411|17.571659|0.500000| |3.025421|2.543522|2.387056|2.548415|3.003765|3.376744|4.188577|7.846717|7.596639|10.811324|12.291739|0.242891|36.858105| |2.516940|2.161407|2.053279|2.194800|2.549415|2.792926|3.412755|5.870151|5.744412|9.662473|8.008440|0.164912|13.067327|53.358707| |2.437515|2.102051|2.033758|2.219549|2.604767|2.778417|3.419615|5.826003|6.030856|11.052990|7.941611|0.159107|7.913134|17.868384|36.858105| |2.672996|2.307945|2.272157|2.537537|3.021124|3.136171|3.812944|6.978379|7.372555|11.646403|12.252352|0.242346|7.792755|11.141012|12.371124|36.858105| |2.616648|2.281153|2.297941|2.635161|3.166017|3.148633|3.779318|6.505698|6.449990|11.374395|7.332359|0.173394|4.974916|6.962417|7.399343|12.385761|36.858105| |2.170195|1.939775|1.967196|2.226486|2.579535|2.532897|2.919183|4.707402|4.282993|7.834064|4.821716|0.121305|3.830655|5.744859|5.979302|7.465273|12.507686|36.858105| |2.012271|1.827728|1.861354|2.086594|2.362029|2.304596|2.574032|4.175670|3.632748|6.275942|4.365257|0.117268|3.609396|5.356350|5.070210|6.438772|7.670805|12.641408|53.358707| |1.823437|1.671333|1.704391|1.897345|2.119629|2.064582|2.281135|3.605059|3.073249|5.407900|3.567108|0.095961|3.084558|4.630439|4.253663|4.901578|5.667627|9.159007|25.685618|0.500000| |2.067346|1.892670|1.950423|2.207118|2.486056|2.378828|2.606640|4.236378|3.572026|6.013179|4.246200|0.119942|3.419890|4.819827|4.330930|5.768271|7.032944|9.205486|25.675941|0.328443|0.500000| |2.020780|1.827948|1.835116|2.023298|2.282201|2.279694|2.559284|4.242376|3.725810|6.248700|4.882145|0.130923|4.283788|6.607556|5.992589|7.405327|6.473792|7.587943|17.205066|0.254536|0.255437|36.858105| |2.366807|2.104881|2.094030|2.314327|2.658377|2.698559|3.084439|5.425864|4.920289|7.685319|7.592976|0.206103|6.148448|8.763597|7.503922|12.312984|7.605721|6.512671|10.462327|0.157645|0.195063|12.508514|36.858105| |2.263537|1.967168|1.853690|1.946183|2.216524|2.439538|2.911918|4.719585|4.263152|7.456628|5.198033|0.119208|7.890951|19.099487|7.545076|5.212771|3.802619|3.373056|4.377117|0.080493|0.080806|3.903792|4.643569|36.858105| |2.304021|2.004050|1.863565|1.925971|2.173099|2.426641|2.859078|4.554590|3.903451|6.674557|4.571084|0.109857|7.117095|11.637354|5.317248|4.211351|3.209393|2.836266|3.725945|0.069125|0.070514|3.252288|3.869327|15.903060|73.516695| |1.949783|1.721078|1.637949|1.721192|1.938655|2.095676|2.458141|3.841954|3.403575|6.219843|3.943703|0.093514|5.005936|10.494393|6.321767|4.328030|3.425258|3.261763|4.245248|0.080666|0.076736|3.734479|4.005302|12.643310|14.453637|36.858105| |1.841297|1.629883|1.542677|1.607718|1.799686|1.955956|2.284549|3.448718|2.978575|5.581888|3.242235|0.078089|3.971341|7.246778|4.677849|3.431297|2.887440|2.769149|3.549015|0.068593|0.065091|2.973538|3.133213|7.664026|11.626499|13.708807|36.858105| |1.633761|1.463856|1.395584|1.453781|1.612108|1.730126|1.988101|2.953191|2.505589|4.715361|2.692140|0.066280|3.126168|5.417267|3.771585|2.905974|2.550861|2.536240|3.279563|0.064862|0.060080|2.696250|2.722558|5.049293|7.987961|7.890612|13.772382|36.858105| |1.535686|1.387015|1.335035|1.397684|1.543413|1.633802|1.857948|2.778811|2.354396|4.387977|2.576813|0.064229|2.909543|5.045814|3.660967|2.876547|2.552695|2.628663|3.474218|0.069953|0.062941|2.878006|2.787903|4.441034|6.846140|6.838639|7.960737|13.753543|36.858105| |1.592530|1.438353|1.391921|1.466403|1.623521|1.707330|1.940847|2.961444|2.536949|4.655402|2.877153|0.071771|3.237848|5.810980|4.278093|3.329804|2.887867|3.024650|4.104638|0.082660|0.073053|3.539473|3.337664|4.984694|7.291550|7.866013|6.874853|7.923473|13.757117|36.858105| |1.783823|1.595372|1.537875|1.624895|1.815989|1.924225|2.215844|3.463490|3.034024|5.493608|3.578998|0.087402|4.206019|8.282162|5.774016|4.192950|3.404539|3.441027|4.659438|0.090546|0.082414|4.226743|4.179898|7.462766|9.759871|13.791064|8.045629|6.952049|8.038953|13.861067|36.858105| |1.821570|1.636043|1.590469|1.692040|1.890108|1.979086|2.259245|3.608910|3.164496|5.554451|3.935860|0.098020|4.480657|8.632130|6.223260|4.855944|3.806150|3.913730|5.641009|0.108346|0.098160|5.646791|5.368478|6.598208|8.819393|8.104574|5.293888|4.666865|5.315254|8.196067|14.195518|97.533100| |1.376344|1.254817|1.213261|1.267618|1.387926|1.457687|1.636393|2.411410|2.007757|3.745315|2.159865|0.054729|2.370320|3.920455|2.905284|2.395879|2.199547|2.304511|3.064533|0.062894|0.056060|2.468308|2.346521|3.286127|5.267267|4.437893|5.041179|7.587943|12.634345|7.634928|5.079736|8.894661|36.858105| |1.358372|1.238788|1.202801|1.262577|1.384611|1.446651|1.626132|2.379461|1.985847|3.755260|2.105558|0.053217|2.254465|3.701437|2.848763|2.363197|2.228784|2.375070|3.106346|0.064403|0.056587|2.433741|2.282697|2.989182|4.742772|3.894049|4.326148|5.961048|8.164094|6.068127|4.388374|8.036337|14.394440|97.533100| |1.302814|1.195923|1.161650|1.213502|1.320957|1.377564|1.530671|2.264050|1.869696|3.439889|2.034526|0.052281|2.214165|3.608080|2.669957|2.265344|2.084391|2.210871|3.017671|0.062664|0.055383|2.447385|2.284113|2.970652|4.803422|3.855138|4.058517|5.344458|8.142000|6.922407|4.640479|8.717411|14.422118|20.147065|97.533100| |1.322416|1.208584|1.163587|1.207559|1.316205|1.388539|1.551781|2.261324|1.859591|3.466394|1.973032|0.050254|2.178583|3.514807|2.549528|2.134059|1.964488|2.023690|2.680917|0.054702|0.049727|2.142257|2.077089|2.974230|4.944268|3.846563|4.616255|6.901503|8.137198|5.337054|4.066641|7.318210|14.462540|20.132538|20.083799|97.533100| |4.688508|5.404760|8.537622|14.075626|7.777249|5.187286|3.838100|4.790164|2.918158|4.749973|2.605287|0.078171|2.248863|2.691019|2.019848|2.313585|2.442047|2.116609|2.733544|0.051180|0.059627|1.924028|2.157258|1.762169|3.083475|1.580277|1.476244|1.348122|1.307345|1.374503|1.510857|3.557569|1.194540|2.684605|2.587582|2.557582|73.516695| |4.225489|5.363461|8.599817|8.596774|5.364540|4.211937|3.198709|3.982328|2.470256|4.061419|2.242536|0.066848|1.995222|2.404301|1.783008|2.002633|2.079051|1.833827|2.391899|0.045216|0.051805|1.701381|1.890514|1.599994|2.826879|1.442560|1.358069|1.246109|1.207156|1.262449|1.379107|3.231158|1.108793|2.486324|2.406703|2.387379|23.987532|36.858105| |5.200758|7.767779|14.087425|8.544483|5.406231|4.668088|3.408346|4.163674|2.532589|4.133944|2.287175|0.068065|2.072084|2.467706|1.800334|2.001547|2.033278|1.779132|2.319470|0.043742|0.049792|1.675356|1.881424|1.652545|2.953117|1.477708|1.395749|1.274028|1.225830|1.277366|1.400074|3.263674|1.122226|2.504750|2.429849|2.425836|14.930678|13.522806|73.516695| |17.717575|8.910449|5.722930|5.010362|5.621101|8.957723|7.046996|7.180211|3.978955|6.412342|3.271444|0.092281|3.116989|3.519976|2.455391|2.624572|2.515222|2.095660|2.643914|0.049023|0.054840|1.974763|2.314904|2.361492|4.341545|2.020628|1.924772|1.697602|1.579981|1.627260|1.825411|4.151093|1.411635|3.121952|2.993564|3.067384|6.593014|3.449317|7.416233|0.500000| |8.784481|17.751216|8.941467|5.635361|4.884191|5.590143|4.071405|4.722944|2.799494|4.558216|2.474450|0.072136|2.338149|2.729420|1.931566|2.089156|2.045856|1.764247|2.279223|0.042807|0.047967|1.686165|1.926700|1.853549|3.390343|1.629510|1.554150|1.400736|1.324891|1.367527|1.509628|3.467695|1.202915|2.664745|2.582572|2.620222|7.765784|4.652764|12.172195|0.213259|0.500000| |5.608447|4.882730|5.636000|8.960094|17.730091|8.767264|6.953628|8.425010|4.786985|7.637992|3.843249|0.113026|3.065439|3.595819|2.777591|3.297727|3.612633|2.906047|3.566446|0.064899|0.077286|2.473766|2.867061|2.263835|3.878657|1.994329|1.839173|1.652126|1.592082|1.684207|1.884036|4.439910|1.431672|3.230941|3.067349|3.035668|12.227987|4.663091|7.777574|0.123448|0.106373|0.500000| |7.304390|4.754030|4.017419|4.229239|5.588796|8.886447|17.584833|12.377225|6.640814|11.119479|4.541259|0.118138|4.159235|4.640056|3.308327|3.499506|3.357036|2.663682|3.217589|0.058766|0.065621|2.388893|2.854818|2.994786|5.342323|2.514098|2.375883|2.053069|1.890631|1.951233|2.224980|5.016669|1.661377|3.699283|3.474550|3.573184|5.847212|2.867510|5.557997|0.224633|0.112906|0.140281|0.500000| |5.793023|4.236596|4.000948|4.694922|6.912728|8.850671|17.631402|12.565553|7.261864|13.266512|4.637762|0.120308|3.816235|4.460300|3.432892|3.795969|3.988666|3.085848|3.596305|0.065285|0.074005|2.560608|3.013867|2.795324|4.780163|2.417982|2.261876|1.987738|1.863964|1.941113|2.196654|5.015881|1.650161|3.728484|3.461362|3.511161|6.596529|3.062085|5.605387|0.148863|0.097888|0.199191|0.303633|0.500000| |5.722802|4.352646|4.062307|4.564409|6.065767|7.449006|9.031256|26.055924|9.408177|10.866965|7.506125|0.238515|5.734706|5.615701|3.940869|4.810578|4.325749|3.226147|4.059624|0.071582|0.085283|3.091066|4.018389|3.356267|5.871736|2.711779|2.416706|2.074984|1.964739|2.106681|2.466870|5.863681|1.708406|3.764659|3.640000|3.610012|6.487254|3.052288|5.747138|0.148587|0.102018|0.162208|0.198033|0.182094|0.500000| |2.880672|2.475453|2.326826|2.452626|2.820696|3.130829|3.674162|6.670438|5.695669|8.188334|8.669846|0.225329|17.609736|12.400021|5.966131|6.224409|4.218046|3.413961|4.617061|0.081384|0.090793|4.145437|5.937124|6.932364|12.321796|4.575947|3.643027|2.924387|2.761443|3.098590|3.989465|9.868802|2.269941|4.798180|4.849824|4.716141|3.881300|1.957267|3.629093|0.082329|0.063865|0.078985|0.101190|0.091803|0.145804|0.500000| |3.302937|2.713231|2.483813|2.609788|3.088219|3.620069|4.627797|8.321703|7.563661|11.185767|8.658345|0.186853|17.611946|12.328839|6.175481|5.765004|4.212830|3.307616|4.162165|0.074205|0.081152|3.473392|4.590149|7.125312|13.017038|4.634135|3.936737|3.073766|2.776706|2.980002|3.748798|8.505088|2.280499|4.885220|4.742091|4.799917|4.026759|2.023969|3.791402|0.097474|0.069586|0.085610|0.135166|0.114083|0.164403|0.303827|0.500000| |2.144971|1.883066|1.834911|1.993922|2.297607|2.412013|2.877394|4.716254|4.531007|8.375521|5.663519|0.126629|5.765891|12.376086|17.689490|8.649881|6.336902|6.170739|7.446957|0.132051|0.123116|6.735941|7.023003|6.827535|8.536069|6.916288|4.930932|4.134017|4.229267|5.255926|7.286838|18.485959|3.299093|7.305052|6.850558|6.307406|3.274187|1.638941|2.925837|0.059893|0.048433|0.068068|0.077577|0.080857|0.090350|0.135049|0.131165|0.500000| |2.512529|2.143924|2.065342|2.259112|2.679994|2.887862|3.659881|6.012871|6.394042|13.645106|6.870531|0.138687|6.592386|12.314900|17.599983|8.815550|7.041939|5.619574|6.000425|0.105754|0.106704|4.710993|5.496586|6.397141|8.552029|5.666626|4.632235|3.765597|3.545221|3.922786|4.951644|10.993314|2.856194|6.438512|5.785841|5.706720|3.631705|1.799914|3.231967|0.070603|0.054577|0.079643|0.099366|0.105158|0.108091|0.137120|0.162962|0.301471|0.500000| |2.734407|2.350757|2.353012|2.705765|3.309574|3.335739|4.159122|6.871672|7.045453|14.527548|6.588940|0.149666|4.694179|6.568419|6.894817|8.786934|17.644926|8.986750|7.615678|0.126917|0.143791|4.861182|5.514719|3.689122|5.584329|3.348925|2.910029|2.570078|2.526152|2.783149|3.233229|7.752411|2.185289|5.034349|4.593004|4.425886|4.407366|2.105894|3.669588|0.073255|0.058346|0.105621|0.102557|0.127904|0.120002|0.107587|0.116888|0.160032|0.215804|0.500000| |2.778789|2.442002|2.507516|2.943140|3.560780|3.406999|3.956168|6.882818|6.234653|10.131598|6.837545|0.184204|4.495608|5.831357|5.447714|8.807310|17.496636|8.907092|9.412996|0.144424|0.206529|5.682854|6.810955|3.292066|5.124690|2.937431|2.518887|2.244149|2.243657|2.513849|2.917014|7.350567|1.962536|4.457107|4.225289|3.987749|4.889372|2.295843|3.940791|0.072628|0.060182|0.116349|0.094346|0.115231|0.130308|0.110331|0.107652|0.132395|0.144007|0.304075|0.500000| |2.038191|1.819127|1.825309|2.036663|2.344841|2.345127|2.725420|4.313688|3.955842|7.522568|4.403639|0.107450|3.749712|5.988606|6.520598|6.688483|8.741724|17.625893|12.430984|0.224189|0.181178|6.950195|5.747269|3.602550|5.266408|3.643114|3.087480|2.856532|2.999109|3.481989|3.925347|9.850085|2.610268|6.136052|5.579091|5.072253|3.427369|1.691178|2.939970|0.055363|0.046324|0.072144|0.070662|0.080066|0.081659|0.092034|0.090862|0.207361|0.174446|0.212761|0.173086|0.500000| |2.099523|1.894527|1.943529|2.217840|2.553061|2.456579|2.782314|4.338783|3.789193|7.028862|4.005425|0.103762|3.224743|4.691534|4.564225|5.449265|8.773329|17.626995|12.360593|0.222918|0.224278|5.575555|4.891731|2.855316|4.378360|2.785304|2.438831|2.271377|2.349824|2.643777|2.916854|7.267543|2.107679|4.943454|4.562835|4.204441|3.800277|1.846121|3.145969|0.055857|0.047795|0.080946|0.070065|0.083131|0.082396|0.080864|0.079774|0.129063|0.125587|0.212654|0.215737|0.301413|0.500000| |1.908639|1.722716|1.715222|1.873821|2.109459|2.134188|2.417602|3.933635|3.488266|6.054267|4.430858|0.113666|4.159318|6.960307|6.485442|6.597708|5.675376|6.907941|12.405811|0.224512|0.180993|17.660997|8.741460|4.263794|6.119249|4.334170|3.372481|3.087069|3.385178|4.347351|5.242021|16.738726|2.855554|6.333327|6.369838|5.447701|3.156932|1.583171|2.785791|0.052334|0.044405|0.063009|0.063720|0.067543|0.078574|0.110123|0.095027|0.234944|0.140018|0.127185|0.131534|0.207802|0.142651|0.500000| |1.889734|1.732486|1.747074|1.913814|2.122696|2.105076|2.310568|3.775242|3.187876|5.295477|4.076164|0.114553|3.699050|5.500821|4.575652|5.425566|4.883898|5.576188|12.360796|0.222226|0.224851|17.625721|8.780586|3.419549|5.238967|3.297675|2.676697|2.465644|2.656237|3.253874|3.769171|11.314447|2.320760|5.108513|5.283535|4.559915|3.268941|1.639352|2.864888|0.051218|0.044646|0.063415|0.060104|0.063700|0.077878|0.103801|0.085049|0.139953|0.104086|0.107493|0.128313|0.142944|0.126468|0.301828|0.500000| |2.472745|2.220318|2.237662|2.496424|2.852603|2.834088|3.149255|5.594006|4.774572|7.171588|7.081164|0.229219|5.382251|6.855980|5.496546|8.789440|6.802245|5.686030|9.393296|0.144166|0.205183|8.921367|17.513208|3.835981|5.992847|3.305887|2.689230|2.366726|2.409057|2.813917|3.396071|9.397964|2.071509|4.546605|4.566116|4.183116|4.166723|2.037741|3.582572|0.066191|0.056133|0.085899|0.079410|0.084548|0.119288|0.151294|0.116421|0.140469|0.123208|0.139271|0.199345|0.132303|0.127788|0.173355|0.217359|0.500000| |2.295029|2.045461|2.009946|2.180355|2.474435|2.558409|2.907558|5.061492|4.476650|6.975944|6.906307|0.188472|6.824195|9.956958|7.055537|8.738539|5.512692|4.889255|7.634122|0.127212|0.143530|9.022637|17.601321|5.402966|8.010132|4.488516|3.394767|2.901393|2.965401|3.603480|4.685185|14.200477|2.455635|5.258587|5.403784|4.898693|3.597181|1.798174|3.218784|0.063208|0.052543|0.072498|0.076493|0.077506|0.106216|0.201797|0.136722|0.187085|0.141247|0.123078|0.139182|0.128912|0.107750|0.214604|0.212770|0.303617|0.500000| |1.930870|1.698234|1.591380|1.647144|1.846197|2.034322|2.391176|3.561972|3.043411|5.732040|3.215033|0.077340|4.004210|6.883525|4.307589|3.251852|2.753417|2.576695|3.269590|0.062796|0.060836|2.696352|2.910839|7.197952|12.411598|8.961964|17.750594|8.924698|5.656866|4.956115|5.703808|9.592924|4.102913|8.198272|7.607693|8.971697|2.669073|1.385161|2.548543|0.056718|0.045128|0.051969|0.070355|0.065386|0.069048|0.101199|0.116079|0.118777|0.122632|0.078281|0.067507|0.078368|0.063717|0.082615|0.067674|0.070701|0.087048|0.500000| |1.562536|1.404665|1.336013|1.384738|1.528327|1.642897|1.877481|2.741670|2.291242|4.334517|2.406028|0.059748|2.757816|4.574461|3.203515|2.549205|2.284851|2.265767|2.916803|0.057935|0.054015|2.351309|2.379296|4.125364|6.864534|5.631258|8.932525|17.760750|8.911629|5.641758|4.996416|8.315619|7.015130|12.936819|11.000429|17.344330|2.284515|1.193784|2.173700|0.045264|0.037502|0.043330|0.054229|0.052263|0.053445|0.071896|0.076854|0.095039|0.090806|0.064629|0.056493|0.070181|0.057264|0.073418|0.060233|0.058458|0.069724|0.215204|0.500000| |1.501797|1.366939|1.331878|1.405893|1.547537|1.610620|1.810445|2.757793|2.338056|4.257578|2.657670|0.067487|2.904988|5.024156|3.798398|3.111890|2.760985|2.980207|4.165390|0.085948|0.073947|3.583217|3.229745|4.076732|6.128312|5.632804|4.957184|5.625663|8.848538|17.759879|8.976797|16.853945|7.012102|13.198874|17.212448|10.932528|2.360581|1.220921|2.185496|0.042362|0.036111|0.044736|0.050151|0.050401|0.054805|0.078326|0.073718|0.130108|0.096112|0.072986|0.067442|0.095053|0.072953|0.123677|0.093777|0.076376|0.095927|0.107657|0.123713|0.500000| |3.585487|4.412315|6.310138|6.308863|4.413580|3.575921|2.826256|3.638820|2.293760|3.755169|2.131769|0.064109|1.904686|2.303664|1.705200|1.920513|1.986296|1.770065|2.340146|0.044384|0.050959|1.667927|1.843607|1.536798|2.715872|1.389709|1.304872|1.200885|1.168783|1.225955|1.336764|3.147286|1.075913|2.408743|2.345862|2.315075|16.576104|17.679605|16.592196|0.083797|0.110859|0.111076|0.070887|0.075002|0.078429|0.052423|0.053210|0.043810|0.047415|0.055228|0.061069|0.045274|0.049495|0.042974|0.045028|0.055569|0.048831|0.036825|0.031922|0.033065|0.500000| 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