Version2.1 2020-12-16T01:10:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(c(c1)CCNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)COc4cccc(c4)Cl)F C39638912 RHF 6-31G(d) (6D,7F) c1ccc(c(c1)CCNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)COc4cccc(c4)Cl)F C01[X(C25H30Cl1F1N3O3)] 183 C1 559 Clc1cccc(c1)OCC(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc1ccccc1F Clc1cccc(c1)OCC(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc1ccccc1F Fc1ccccc1CCNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)COc4cccc(Cl)c4 InChIKey=IFNWSDGBKQHDPD-OAQYLSRUSA-O InChI=1S/C25H29ClFN3O3/c26-19-5-3-6-20(14-19)33-16-23(31)30-15-21(25(17-30)9-12-28-13-10-25)24(32)29-11-8-18-4-1-2-7-22(18)27/h1-7,14,21,28H,8-13,15-17H2,(H,29,32)/p+1/t21-/m1/s1 InChI=1/C25H29ClFN3O3/c26-19-5-3-6-20(14-19)33-16-23(31)30-15-21(25(17-30)9-12-28-13-10-25)24(32)29-11-8-18-4-1-2-7-22(18)27/h1-7,14,21,28H,8-13,15-17H2,(H,29,32)/p+1/t21-/m1/s1/fC25H30ClFN3O3/h28-29H/q+1 c1ccc(c(c1)CCNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)COc4cccc(c4)Cl)F C01[X(C25H30Cl1F1N3O3)] 183 C01 559 Clc1cccc(c1)OCC(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc1ccccc1F Cl[C]1[CH][CH][CH][C]([CH]1)OCC(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)[C]([NH]CC[C]1[CH][CH][CH][CH][C]1F)=O F[C]1[CH][CH][CH][CH][C]1CCNC(=O)[C@H]2CN(CC23CC[NH2]CC3)C(=O)CO[C]4[CH][CH][CH][C](Cl)[CH]4 InChIKey=UMQUEKQPZWGWOE-OAQYLSRUSA-N InChI=1S/C25H30ClFN3O3/c26-19-5-3-6-20(14-19)33-16-23(31)30-15-21(25(17-30)9-12-28-13-10-25)24(32)29-11-8-18-4-1-2-7-22(18)27/h1-7,14,21H,8-13,15-17,28H2,(H,29,32)/t21-/m1/s1 InChI=1/C25H30ClFN3O3/c26-19-5-3-6-20(14-19)33-16-23(31)30-15-21(25(17-30)9-12-28-13-10-25)24(32)29-11-8-18-4-1-2-7-22(18)27/h1-7,14,21H,8-13,15-17,28H2,(H,29,32)/t21-/m1/s1/f/h29H 3389.2813762770 -1910.8472116 1-A 27287.0172 125 434 559 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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| 7.6609 11.9763 12.8040 23.3197 25.1717 34.2545 41.0749 55.3029 63.7217 74.1595 85.8348 102.8686 105.5292 129.2758 144.8282 166.2004 184.9474 195.8745 208.7616 214.0364 230.1270 244.7180 264.5951 267.8325 273.0519 287.4027 311.5820 334.4097 344.5799 360.0660 372.4589 384.3777 422.4456 439.7431 444.7261 475.2468 485.0725 495.2328 501.9607 515.1765 523.0544 533.1899 572.6082 588.5187 603.4501 606.3630 610.1342 640.7600 657.6080 665.0854 697.4419 744.8224 756.7599 758.0857 802.5544 811.0653 820.4605 850.7448 856.1389 863.9408 871.2346 880.0028 887.5559 890.6030 918.2390 928.6431 940.4151 950.5142 958.8846 968.2326 982.4546 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6.9358 7.5796 9.2918 16.6950 6.5628 3.0442 3.3700 7.2305 77.3343 77.7720 44.0357 1.9614 5.4628 3.8778 0.9285 0.5879 1.6952 0.4856 0.6312 0.1058 3.4549 1.1092 2.4019 0.6053 0.0874 0.4153 0.5495 0.1478 3.6208 0.9573 1.4182 0.4586 0.8253 3.1376 1.4688 2.2082 0.8212 0.4605 0.5562 0.3231 1.6797 0.4582 0.4009 0.6803 2.3001 6.3635 2.5636 0.6143 0.4313 1.1659 0.2108 0.5765 1.3778 2.6110 3.2756 2.1064 3.0831 0.8740 0.5996 0.7230 2.1697 2.8798 8.3652 2.4534 0.7230 4.8895 0.6989 7.7781 6.1441 12.8846 4.7912 6.3504 1.1403 1.3382 0.7656 10.1551 0.7845 1.8250 1.6120 1.3036 4.2084 2.5169 6.4129 3.7153 1.0206 2.7246 3.4660 2.4942 1.7110 30.2561 3.5260 5.1551 0.7305 5.7769 5.9877 27.3484 7.2186 8.1073 0.9540 1.0520 0.8123 2.1578 0.5146 2.6762 2.9897 2.1347 15.4119 3.8890 6.9984 1.6304 4.3009 1.0010 2.0984 2.9074 2.1625 2.9555 7.0636 6.5084 2.2981 12.2850 8.7852 13.2758 6.1827 12.8576 4.2270 2.0299 5.9135 3.5012 10.1291 4.5294 11.4293 11.9595 0.6631 0.4646 1.5389 2.1567 1.3942 10.9531 1.5740 6.4693 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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 63 6 6 6 6 6 6 6 6 7 6 8 6 1 6 7 6 6 6 6 7 1 1 6 6 6 8 6 8 6 6 6 6 6 6 17 9 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 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 18.99840 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 1.00783 1.00783 14879.6437 37993.5515 49059.7995 0.99999 0.00414 0.00121 -0.00416 0.99988 0.01496 -0.00115 -0.01497 0.99989 1 0.00582 0.00228 0.00177 0.12129 0.04750 0.03679 11.02 17.23 18.42 33.55 36.22 49.28 59.10 79.57 91.68 106.70 123.50 148.00 151.83 186.00 208.38 239.13 266.10 281.82 300.36 307.95 331.10 352.09 380.69 385.35 392.86 413.51 448.30 481.14 495.77 518.05 535.89 553.03 607.80 632.69 639.86 683.77 697.91 712.53 722.21 741.22 752.56 767.14 823.86 846.75 868.23 872.42 877.85 921.91 946.15 956.91 1003.46 1071.63 1088.81 1090.72 1154.70 1166.94 1180.46 1224.03 1231.79 1243.02 1253.51 1266.13 1276.99 1281.38 1321.14 1336.11 1353.05 1367.58 1379.62 1393.07 1413.53 1440.05 1452.47 1461.22 1517.29 1532.98 1545.52 1549.42 1559.65 1575.21 1596.87 1605.51 1609.57 1611.79 1627.04 1635.67 1640.66 1643.64 1647.11 1667.13 1691.44 1693.22 1743.95 1745.98 1762.94 1773.72 1778.25 1781.87 1817.99 1853.54 1874.05 1891.35 1898.29 1908.92 1921.57 1932.98 1952.21 1959.76 1977.40 1988.31 1993.08 2035.52 2042.19 2046.40 2051.75 2086.81 2093.78 2094.43 2103.32 2106.09 2118.99 2128.31 2166.44 2191.35 2218.03 2224.01 2238.99 2242.15 2250.26 2257.99 2278.14 2287.79 2327.87 2335.97 2344.85 2349.66 2360.55 2366.28 2369.65 2371.19 2386.68 2397.34 2407.08 2412.25 2430.00 2472.27 2565.32 2576.51 2593.61 2620.07 2629.70 2770.97 2848.38 4594.15 4596.31 4614.19 4633.92 4643.04 4652.78 4668.57 4699.34 4701.67 4703.84 4710.52 4720.05 4722.86 4733.50 4769.66 4788.06 4790.38 4805.13 4817.27 4837.36 4861.58 4865.11 4882.41 4899.43 4900.24 4910.54 4922.19 5274.87 5365.76 5594.56 0.568302 0.597045 0.597990 0.501411 -1910.278910 -1910.250166 -1910.249222 -1910.345800 3.239242D-04 MUNgauss RevisionA2.0 retrievium 16-Dec-2020 DUDE c1ccc(c(c1)CCNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)COc4cccc(c4)Cl)F C39638912 RHF 6-31G(d) (6D,10F) C1 474.195973 |X|Y|Z| 137.850607 84.174158 34.621203 73.786437 29 6 7 8 25 3 1 |36.858105| |13.755194|36.858105| |7.936767|13.747194|36.858105| |6.964418|8.028569|13.848598|36.858105| |7.874235|6.806938|7.840631|13.764487|36.858105| |13.744240|7.942418|6.877205|8.062925|13.712846|36.858105| |4.988019|4.420381|5.008238|7.573059|12.604560|7.486742|36.858105| |4.086585|3.754872|4.246909|5.885859|7.552253|5.479623|12.431816|36.858105| |3.156631|2.934947|3.258058|4.201892|4.982220|3.994302|7.648375|13.053656|53.358707| |2.863902|2.601533|2.776717|3.416174|4.109844|3.581255|5.836278|7.747444|19.351543|36.858105| |3.033051|2.666899|2.756926|3.328436|4.153852|3.842772|5.629953|6.797745|11.569906|15.804399|73.516695| |2.335835|2.169050|2.315032|2.758935|3.145208|2.795423|4.124274|4.993587|10.683747|12.460465|14.183610|36.858105| |2.260116|2.136527|2.319678|2.778431|3.085562|2.680843|4.043832|4.812913|10.364504|8.874045|10.491185|17.567332|0.500000| |2.125613|1.989157|2.105001|2.445262|2.723951|2.478396|3.354418|4.167212|7.821338|7.601688|10.898666|12.289468|0.243250|36.858105| |1.985800|1.837899|1.907023|2.175778|2.441556|2.294181|2.929157|3.438991|5.921424|5.841299|9.952308|8.033248|0.164168|13.105301|53.358707| |2.045810|1.868812|1.923697|2.201330|2.515751|2.388103|3.056491|3.412692|5.815641|6.021065|11.072469|7.917311|0.158777|7.872933|17.896951|36.858105| |2.136343|1.966081|2.058710|2.401089|2.744500|2.526478|3.472555|3.818954|6.983418|7.369315|11.616011|12.251736|0.241993|7.794776|11.077176|12.390706|36.858105| |2.280472|2.070344|2.150907|2.518064|2.939149|2.731591|3.761489|3.802474|6.530493|6.455385|11.281867|7.341393|0.173287|4.977863|6.974989|7.418595|12.384973|36.858105| |2.005471|1.827465|1.874677|2.139588|2.449987|2.338720|2.968059|2.935438|4.721146|4.291202|7.818516|4.827417|0.121077|3.837606|5.751829|6.037091|7.480814|12.511466|36.858105| |1.776312|1.648766|1.707009|1.933905|2.156586|2.036238|2.573576|2.581461|4.176512|3.630703|6.259169|4.360112|0.116756|3.609241|5.321732|5.108985|6.443418|7.675022|12.632987|53.358707| |1.657106|1.540104|1.584230|1.774546|1.966386|1.878380|2.298469|2.287896|3.606791|3.073823|5.400815|3.565955|0.095631|3.087555|4.610692|4.290885|4.908954|5.669907|9.157854|25.680963|0.500000| |1.791531|1.674217|1.747166|1.987408|2.200787|2.053899|2.638135|2.610297|4.226577|3.559383|5.978857|4.227233|0.118959|3.409978|4.778553|4.346685|5.754471|7.029733|9.201416|25.675899|0.328429|0.500000| |1.696595|1.586540|1.651056|1.868384|2.062917|1.935410|2.457083|2.563595|4.242738|3.724794|6.241512|4.878590|0.130543|4.283045|6.506642|6.030297|7.413193|6.477252|7.581820|17.212709|0.254783|0.255402|36.858105| |1.855571|1.739084|1.831419|2.105860|2.332581|2.143709|2.856737|3.087179|5.423119|4.914043|7.670166|7.577326|0.205432|6.134274|8.557277|7.511201|12.313011|7.616002|6.511100|10.451029|0.157580|0.194406|12.498601|36.858105| |1.816958|1.687768|1.734955|1.942826|2.152828|2.059011|2.493499|2.890085|4.675959|4.262078|7.610617|5.134307|0.117017|7.540110|18.994148|7.847531|5.251052|3.856117|3.446146|4.434064|0.081806|0.081259|3.930306|4.609669|36.858105| |1.720695|1.591214|1.619083|1.795219|1.991619|1.935225|2.274225|2.558296|4.019146|3.615650|6.709729|4.172438|0.097385|5.294331|11.618122|7.040133|4.610627|3.624186|3.432272|4.397961|0.083225|0.079072|3.837637|4.141281|15.965353|73.516695| |1.748654|1.645841|1.701195|1.891113|2.056643|1.956536|2.340289|2.765315|4.383946|3.740134|6.470882|4.328596|0.104902|6.551454|10.620482|5.024707|4.013037|3.095443|2.759467|3.627047|0.067665|0.068543|3.152728|3.704074|12.515514|14.141269|36.858105| |1.582831|1.493817|1.531727|1.678167|1.810715|1.745470|2.017722|2.324610|3.565942|2.969312|5.253452|3.326467|0.082925|4.467658|7.221964|3.984586|3.228446|2.618623|2.426038|3.221765|0.061464|0.060792|2.766230|3.075979|8.092484|12.854716|13.794652|73.516695| |1.497212|1.426199|1.464075|1.589633|1.692539|1.632008|1.857556|2.137721|3.214464|2.587071|4.540763|2.829271|0.072532|3.660293|5.424475|3.145184|2.688007|2.242192|2.082167|2.783874|0.053469|0.053308|2.349777|2.596147|5.229697|8.505088|8.050742|25.011531|36.858105| |1.371645|1.307943|1.334089|1.434625|1.521994|1.481206|1.650792|1.864012|2.758819|2.205277|3.917278|2.380459|0.061537|2.931169|4.385299|2.692265|2.318424|1.986278|1.884327|2.529752|0.049264|0.048421|2.109831|2.262723|4.091425|7.215901|5.285279|14.581580|13.685884|36.858105| |1.291783|1.240828|1.266098|1.351163|1.419413|1.382257|1.522765|1.711809|2.500544|1.960298|3.466315|2.088459|0.054807|2.510860|3.627859|2.275595|2.015081|1.755074|1.666561|2.244849|0.043873|0.043386|1.849595|1.977718|3.204914|5.592569|4.006240|9.430630|7.964043|13.841570|36.858105| |1.308329|1.265714|1.298446|1.383978|1.442041|1.395974|1.541530|1.746441|2.540289|1.959075|3.425463|2.074575|0.055028|2.495184|3.477121|2.166693|1.958424|1.706469|1.601989|2.158868|0.041975|0.042094|1.772371|1.921219|2.975362|5.018491|3.795975|8.191584|6.845040|7.900827|13.686214|36.858105| |1.415540|1.371284|1.416450|1.520643|1.584008|1.519747|1.705400|1.964615|2.881775|2.212802|3.821431|2.352969|0.062478|2.902647|3.938440|2.386595|2.168529|1.862312|1.720240|2.312950|0.044538|0.045226|1.910006|2.115129|3.346802|5.415273|4.531475|9.262241|7.986997|6.917603|8.024191|13.856842|36.858105| |1.526155|1.467011|1.517618|1.647434|1.735534|1.658512|1.897349|2.213708|3.313214|2.595745|4.469003|2.808966|0.073376|3.636872|4.990189|2.889734|2.569350|2.151337|1.966623|2.633076|0.050282|0.051117|2.205112|2.482583|4.415136|6.855479|6.762969|14.006740|13.774564|7.911807|6.876404|7.876780|13.705668|36.858105| |1.416222|1.388859|1.445959|1.545400|1.585737|1.509914|1.691872|1.956431|2.834333|2.113835|3.602610|2.215355|0.060010|2.664392|3.459030|2.132015|2.000157|1.738969|1.593551|2.145416|0.041219|0.042467|1.751864|1.954246|2.785014|4.464639|3.581368|6.624624|4.786945|4.236920|4.778030|7.050265|10.932860|7.069798|448.794386| |4.676682|5.306169|8.165343|14.236774|8.162232|5.318244|6.841471|5.902627|6.070206|3.470927|5.729084|2.874290|0.082925|2.533561|3.002261|2.205913|2.452717|2.532179|2.137433|2.677736|0.049888|0.056717|1.918004|2.188100|1.956150|3.183482|1.919735|3.011798|1.609694|1.445853|1.364235|1.405226|1.553009|1.681988|12.783681|97.533100| |17.730720|8.912863|5.644841|5.000360|5.623103|8.919848|4.071563|3.466002|3.794508|2.605980|4.987924|2.158038|0.057565|1.985709|2.566654|1.951023|2.007839|2.147257|1.919281|2.309501|0.044288|0.047260|1.617353|1.748957|1.743947|2.965119|1.674468|2.719265|1.448123|1.335847|1.259432|1.270418|1.365584|1.467622|10.914074|8.326382|0.500000| |8.907592|17.729736|8.933063|5.689000|4.918568|5.645350|3.538266|3.117366|3.438756|2.274848|4.146373|1.935908|0.053036|1.797444|2.278624|1.697326|1.771810|1.857239|1.662238|2.056590|0.039456|0.042563|1.456985|1.584108|1.553186|2.617394|1.522036|2.478155|1.338797|1.235783|1.178612|1.203159|1.296946|1.377331|10.574606|9.608776|0.214500|0.500000| |5.626747|8.834919|17.742426|8.978656|5.622961|4.956727|4.108158|3.657558|3.981249|2.498730|4.351460|2.134789|0.060057|1.960737|2.413767|1.775729|1.900986|1.968087|1.730151|2.172525|0.041282|0.045517|1.551939|1.717269|1.623034|2.692642|1.604944|2.581730|1.397885|1.277373|1.219321|1.255918|1.368864|1.456343|11.312969|16.767701|0.123644|0.212857|0.500000| |8.928144|5.650922|4.953310|5.700528|8.941183|17.706000|6.938194|5.253597|5.466170|3.794371|7.617347|2.925647|0.076268|2.581666|3.314377|2.580928|2.696777|2.965521|2.540681|2.947780|0.055512|0.060113|2.041846|2.247318|2.181503|3.673291|2.040452|3.235610|1.685923|1.531485|1.419677|1.422953|1.544285|1.695497|12.171661|9.616440|0.215658|0.124192|0.107573|0.500000| |4.731603|3.969462|4.187769|5.637396|8.926743|7.186468|17.580874|8.887815|9.417903|6.200553|11.701192|4.293215|0.112604|3.416314|4.193605|3.339608|3.786907|4.325214|3.369227|3.831048|0.069643|0.079450|2.629996|3.020634|2.603447|4.271557|2.382139|3.657713|1.871877|1.669266|1.528945|1.532842|1.685278|1.884560|13.234487|11.236555|0.112455|0.090367|0.096717|0.218137|0.500000| |4.241411|3.985078|4.696785|7.010965|8.905368|5.726521|17.557939|8.875772|9.632270|5.318661|8.553638|4.052409|0.116031|3.224246|3.799533|2.921507|3.435798|3.763374|2.981244|3.592789|0.065250|0.076767|2.502143|2.914189|2.366356|3.838001|2.224092|3.418335|1.774793|1.580911|1.462432|1.482615|1.638460|1.816221|13.107776|16.681708|0.097828|0.090719|0.111751|0.145927|0.302438|0.500000| |3.939035|3.841229|4.580325|6.407881|6.948070|4.940027|8.825906|17.619761|12.605683|5.820806|8.955810|4.290304|0.120211|3.774662|4.199672|2.979020|3.304776|3.221875|2.568678|3.162897|0.057707|0.065691|2.334656|2.795526|2.653481|4.169066|2.617478|3.945262|2.077747|1.813549|1.683848|1.738035|1.964848|2.188991|16.026803|16.022769|0.091877|0.089047|0.112500|0.124333|0.174033|0.210621|0.500000| |4.245527|3.762784|4.036822|5.217643|6.822878|5.676064|8.827184|17.633726|12.520281|7.262130|13.151522|4.677948|0.118673|4.159793|4.818150|3.478836|3.678740|3.616135|2.843231|3.363988|0.061367|0.068200|2.468575|2.931940|3.032681|4.786619|2.908977|4.352834|2.248000|1.957516|1.792155|1.823816|2.051166|2.319426|16.272086|10.908589|0.102100|0.087410|0.095856|0.158347|0.214723|0.173961|0.302360|0.500000| |2.851346|2.730280|3.089859|3.939355|4.366000|3.484283|6.214465|9.008284|26.085655|9.422142|10.871157|7.511134|0.241542|5.615872|5.585943|3.930129|4.853099|4.412138|3.273179|4.105202|0.072286|0.086262|3.114440|4.047986|3.267605|4.967628|3.132598|4.539971|2.325993|1.993643|1.817892|1.860531|2.120792|2.426673|16.954302|9.980800|0.070073|0.066030|0.078976|0.095121|0.151527|0.179215|0.231708|0.183186|0.500000| |1.947284|1.849599|1.971399|2.270796|2.469151|2.235788|2.983446|3.634428|6.608737|5.681784|8.220493|8.733682|0.227312|17.561502|12.314767|6.020473|6.319921|4.257313|3.447871|4.662917|0.082170|0.091366|4.202850|6.041974|6.532215|8.414142|6.410625|7.937543|3.756760|2.985620|2.576962|2.589605|3.047324|3.822932|22.651556|5.381853|0.050533|0.046749|0.051639|0.063810|0.082831|0.081584|0.095204|0.098522|0.141789|0.500000| |2.255879|2.112322|2.236961|2.599913|2.893378|2.630122|3.521024|4.620003|8.385316|7.589445|11.210367|8.710382|0.190066|17.582166|12.249173|6.037550|5.732808|4.197338|3.297616|4.151205|0.074053|0.080898|3.463344|4.580125|6.679951|8.538850|6.677953|8.029189|3.816293|3.009375|2.600531|2.625978|3.113093|3.926625|23.234013|6.031846|0.058347|0.052892|0.057736|0.075677|0.097672|0.091647|0.117576|0.133073|0.162019|0.302519|0.500000| |1.855443|1.702192|1.742601|1.967207|2.221309|2.132448|2.633345|2.865740|4.702809|4.510173|8.312463|5.666509|0.126879|5.818390|12.510045|17.639897|8.606093|6.235688|6.101362|7.449111|0.132428|0.122996|6.804209|7.083661|7.335855|13.781599|4.670903|7.016614|3.092631|2.710664|2.276086|2.132099|2.308139|2.770687|16.351566|4.431292|0.049570|0.043311|0.044959|0.063884|0.079614|0.070645|0.070850|0.080948|0.090290|0.138438|0.129969|0.500000| |2.209512|1.985611|2.019169|2.308913|2.690973|2.602791|3.258249|3.603037|5.906592|6.238994|13.333880|6.713962|0.136604|6.413892|12.358862|17.605711|8.775791|7.101209|5.772653|6.113355|0.107990|0.107916|4.777514|5.505472|6.650270|11.329993|4.535073|6.588026|2.975561|2.580151|2.195815|2.089793|2.287544|2.739514|16.469529|5.105637|0.058873|0.049929|0.051275|0.079766|0.101516|0.084265|0.085474|0.105218|0.106284|0.135542|0.155062|0.302284|0.500000| |2.537034|2.255166|2.314616|2.721778|3.278046|3.100298|4.239524|4.202444|6.930924|7.090212|14.410735|6.617664|0.150068|4.704233|6.629309|6.898218|8.792831|17.644366|8.994910|7.619306|0.126974|0.143816|4.860821|5.519381|3.760180|6.337585|3.036739|4.584699|2.215614|1.967127|1.741005|1.693140|1.845537|2.127094|13.846192|6.009824|0.066515|0.055793|0.058036|0.096126|0.143113|0.113125|0.095656|0.113861|0.122645|0.108395|0.116405|0.156666|0.216858|0.500000| |2.339851|2.145719|2.261578|2.680623|3.106781|2.813760|4.064981|3.971782|6.878944|6.196731|9.980825|6.813885|0.183358|4.486703|5.822657|5.448476|8.789355|17.492712|8.902275|9.425982|0.144478|0.206660|5.697124|6.832202|3.309262|5.465876|2.783559|4.212346|2.069986|1.838675|1.644625|1.614751|1.765788|2.018244|13.441975|6.168015|0.060505|0.053234|0.057610|0.083369|0.128053|0.118460|0.094160|0.100498|0.133591|0.111024|0.107407|0.131145|0.143990|0.303700|0.500000| |1.931399|1.752438|1.779962|2.010020|2.300224|2.233702|2.731553|2.743167|4.334654|3.975900|7.546621|4.421388|0.107538|3.767373|6.024186|6.622999|6.720043|8.748081|17.626942|12.418198|0.224148|0.181084|6.938616|5.749172|3.723846|6.871805|2.894441|4.580164|2.182684|1.987019|1.741753|1.656040|1.766725|2.027480|12.968547|4.476308|0.051842|0.044504|0.045640|0.067918|0.085944|0.074666|0.066916|0.075625|0.082666|0.093144|0.090619|0.204442|0.182184|0.212939|0.173073|0.500000| |2.033872|1.846812|1.883950|2.139991|2.454699|2.365469|2.935568|2.798699|4.349082|3.792629|7.003736|4.006369|0.103496|3.228202|4.701702|4.595935|5.453661|8.770168|17.628084|12.362094|0.222852|0.224519|5.574806|4.890717|2.911302|5.182764|2.404367|3.814269|1.871568|1.710777|1.528828|1.474110|1.574839|1.779007|11.807375|4.773502|0.054278|0.046718|0.048218|0.071658|0.093624|0.082517|0.068200|0.075012|0.083666|0.081473|0.079559|0.127792|0.128323|0.212780|0.215329|0.301255|0.500000| |1.645302|1.531904|1.580471|1.774406|1.963594|1.867337|2.307873|2.421883|3.936938|3.491591|6.059219|4.433604|0.113531|4.165656|6.866514|6.543877|6.608100|5.673200|6.906310|12.434752|0.225563|0.181195|17.647515|8.732382|4.340066|7.923886|3.349866|5.316525|2.494182|2.255348|1.952890|1.845154|1.972379|2.289051|14.284626|4.057892|0.043884|0.039219|0.041224|0.055077|0.068908|0.064225|0.061237|0.066036|0.078997|0.111755|0.094634|0.239062|0.142894|0.127054|0.131683|0.207524|0.142701|0.500000| |1.570902|1.482629|1.547682|1.739617|1.893660|1.773455|2.224998|2.312699|3.772183|3.184604|5.287635|4.069570|0.114131|3.693965|5.410849|4.593481|5.427052|4.887759|5.573292|12.362093|0.222174|0.225020|17.626488|8.771470|3.419094|5.941201|2.866701|4.560941|2.219909|2.012598|1.781463|1.711782|1.836096|2.096096|13.598389|4.047270|0.041616|0.038013|0.040714|0.051492|0.065220|0.063555|0.059489|0.061553|0.078359|0.104981|0.084864|0.141410|0.105132|0.107524|0.128673|0.142725|0.126476|0.301667|0.500000| |1.870507|1.769327|1.884620|2.180747|2.390087|2.160818|2.949195|3.150234|5.580618|4.756966|7.139637|7.042192|0.227106|5.355711|6.725684|5.493215|8.773962|6.816130|5.682413|9.371202|0.143863|0.204045|8.914666|17.511546|3.786205|6.034533|3.236700|4.832388|2.360223|2.067792|1.837264|1.806982|1.993733|2.305834|15.086658|5.182736|0.048614|0.044691|0.049310|0.062162|0.085274|0.085923|0.080202|0.080847|0.120519|0.152914|0.116426|0.141112|0.122986|0.139518|0.200297|0.132285|0.127708|0.173215|0.217129|0.500000| |1.755355|1.656255|1.745448|1.991734|2.179771|2.007540|2.624597|2.905262|5.055187|4.470500|6.971546|6.893543|0.188355|6.799808|9.577965|7.033445|8.730138|5.513219|4.886857|7.629330|0.127219|0.143210|9.018165|17.586160|5.273424|8.123946|4.290552|6.236119|2.926363|2.513240|2.175912|2.111838|2.342339|2.788915|17.193060|4.674018|0.046043|0.042108|0.045733|0.058083|0.075744|0.073776|0.074466|0.077532|0.106315|0.206630|0.136377|0.190014|0.140681|0.123052|0.139415|0.128908|0.107710|0.214335|0.212617|0.303747|0.500000| |1.703583|1.618854|1.690742|1.886044|2.029350|1.904329|2.321629|2.752542|4.445179|3.702104|6.129254|4.478457|0.113035|6.971661|9.756671|4.676282|4.029031|3.059159|2.710724|3.656646|0.067815|0.069990|3.240394|3.909897|8.867273|10.803121|17.527648|16.578650|7.064239|4.771300|3.804691|3.743949|4.601190|6.796616|30.254883|4.370700|0.045033|0.041577|0.044573|0.054613|0.064873|0.062176|0.073401|0.078603|0.090922|0.220500|0.188586|0.120589|0.113093|0.081512|0.077960|0.077353|0.065578|0.093424|0.083318|0.096516|0.131027|0.500000| |1.881340|1.767707|1.826229|2.032854|2.215923|2.108946|2.510817|3.039899|4.745616|3.997772|6.983222|4.350001|0.104577|6.525454|9.391632|4.660013|3.823637|3.024145|2.640719|3.398313|0.063259|0.064889|2.862894|3.387996|8.933554|11.163361|17.514022|16.551605|7.117660|4.810511|3.833322|3.768778|4.627083|6.828738|30.339356|4.621338|0.049932|0.045286|0.047701|0.060998|0.070465|0.065335|0.080148|0.090823|0.092784|0.166748|0.214660|0.115344|0.123503|0.084450|0.076186|0.076282|0.064714|0.083026|0.072114|0.084128|0.104963|0.301228|0.500000| |1.343684|1.275395|1.295029|1.391521|1.483468|1.451772|1.609879|1.798755|2.661813|2.149792|3.860281|2.324015|0.059716|2.817313|4.350425|2.734638|2.319074|2.000156|1.925376|2.584122|0.050688|0.049079|2.153460|2.266780|4.118851|7.714662|4.901359|13.509263|8.954293|17.748738|8.883196|5.616056|4.977826|5.653637|27.459909|3.141498|0.036490|0.033491|0.034365|0.041928|0.045581|0.042827|0.048233|0.052477|0.053149|0.078730|0.078958|0.078119|0.073036|0.055032|0.051051|0.057026|0.048530|0.064864|0.056967|0.057036|0.069572|0.120111|0.121027|0.500000| |1.215848|1.168425|1.187871|1.261269|1.322915|1.294592|1.411260|1.569784|2.277745|1.781954|3.167570|1.888550|0.049709|2.224057|3.227607|2.072195|1.843142|1.626358|1.560402|2.105545|0.041442|0.040705|1.721971|1.815984|2.810963|5.018611|3.345499|7.620215|5.660618|8.973722|17.727466|8.923638|5.689690|4.954558|31.621245|2.857629|0.033055|0.030942|0.031823|0.036956|0.039450|0.037708|0.042868|0.045584|0.045950|0.063096|0.063490|0.058087|0.055839|0.044859|0.042400|0.045396|0.039989|0.050614|0.046273|0.046983|0.055050|0.088351|0.088967|0.214236|0.500000| |1.241828|1.207132|1.237619|1.311076|1.357403|1.316156|1.439795|1.620113|2.335063|1.782917|3.116968|1.873242|0.050077|2.208562|3.048556|1.933547|1.770113|1.561055|1.470825|1.985613|0.038743|0.038898|1.616758|1.742233|2.550168|4.331802|3.138105|6.504405|4.940922|5.626868|8.849972|17.761565|8.938364|5.621931|53.723261|2.996511|0.033547|0.032012|0.033392|0.037129|0.039652|0.038559|0.045037|0.046862|0.047631|0.063637|0.064463|0.052889|0.052030|0.043066|0.041289|0.042086|0.037842|0.046533|0.043598|0.045893|0.052784|0.086790|0.087298|0.123479|0.213933|0.500000| |1.631240|1.571042|1.638015|1.793009|1.887885|1.784603|2.082237|2.476945|3.753425|2.918606|4.929388|3.172976|0.083161|4.242794|5.512137|3.102200|2.802159|2.313427|2.074495|2.770026|0.052360|0.054060|2.325073|2.685264|4.679587|6.892405|7.434383|12.435714|8.840680|5.615617|4.959830|5.646808|8.957189|17.787242|54.638942|4.148239|0.043261|0.040756|0.043626|0.050470|0.057007|0.055356|0.068426|0.071881|0.076917|0.126013|0.131455|0.080640|0.081157|0.063447|0.060586|0.058826|0.051948|0.066187|0.061110|0.069715|0.084133|0.226176|0.225408|0.123914|0.107654|0.124455|0.500000| 1908.935011 -11244.724870 4258.604724 -222.943758 -5300.128894 3389.281620 -1910.847274 2.001002 408AFFFFFFFFFFE9 44DDBDD7E9ED8DC6 445E55837B563CF7 42BFFFE5157C0001 B8233121F309CCD2 449B181503596744