Version2.1 2021-01-14T22:15:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)C[NH+]2CCC[C@@H](C2)C(=O)N[C@@H](C)c3ccc(cc3)N4CCC[C@@H](C4)C C44854907 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)C[NH+]2CCC[C@@H](C2)C(=O)N[C@@H](C)c3ccc(cc3)N4CCC[C@@H](C4)C C01[X(C28H40N3O1)] 210 C1 560 C[C@H]1CCCN(C1)c1ccc(cc1)[C@@H](NC(=O)[C@H]1CCC[NH+](C1)Cc1ccc(cc1)C)C C[C@H]1CCCN(C1)c1ccc(cc1)[C@@H](NC(=O)[C@H]1CCC[NH+](C1)Cc1ccc(cc1)C)C C[C@H]1CCCN(C1)c2ccc(cc2)[C@H](C)NC(=O)[C@H]3CCC[NH+](C3)Cc4ccc(C)cc4 InChIKey=OFBUMFXJGLCLMX-FXSPECFOSA-O InChI=1S/C28H39N3O/c1-21-8-10-24(11-9-21)19-30-16-5-7-26(20-30)28(32)29-23(3)25-12-14-27(15-13-25)31-17-4-6-22(2)18-31/h8-15,22-23,26H,4-7,16-20H2,1-3H3,(H,29,32)/p+1/t22-,23-,26-/m0/s1 InChI=1/C28H39N3O/c1-21-8-10-24(11-9-21)19-30-16-5-7-26(20-30)28(32)29-23(3)25-12-14-27(15-13-25)31-17-4-6-22(2)18-31/h8-15,22-23,26H,4-7,16-20H2,1-3H3,(H,29,32)/p+1/t22-,23-,26-/m0/s1/fC28H40N3O/h29-30H/q+1 Cc1ccc(cc1)C[NH+]2CCC[C@@H](C2)C(=O)N[C@@H](C)c3ccc(cc3)N4CCC[C@@H](C4)C C01[X(C28H40N3O1)] 210 C01 560 C[C@H]1CCCN(C1)c1ccc(cc1)[C@@H](NC(=O)[C@H]1CCC[NH+](C1)Cc1ccc(cc1)C)C C[C@H]1CCC[N@](C1)[C]1[CH][CH][C]([CH][CH]1)[C@@H]([NH][C](=O)[C@H]1CCC[NH](C1)C[C]1[CH][CH][C]([CH][CH]1)C)C C[C]1[CH][CH][C]([CH][CH]1)C[NH]2CCC[C@@H](C2)C(=O)N[C@@H](C)[C]3[CH][CH][C]([CH][CH]3)N4CCC[C@H](C)C4 InChIKey=SXOUMNMKEMTDQU-FXSPECFOSA-N InChI=1S/C28H40N3O/c1-21-8-10-24(11-9-21)19-30-16-5-7-26(20-30)28(32)29-23(3)25-12-14-27(15-13-25)31-17-4-6-22(2)18-31/h8-15,22-23,26,30H,4-7,16-20H2,1-3H3,(H,29,32)/t22-,23-,26-/m0/s1 InChI=1/C28H40N3O/c1-21-8-10-24(11-9-21)19-30-16-5-7-26(20-30)28(32)29-23(3)25-12-14-27(15-13-25)31-17-4-6-22(2)18-31/h8-15,22-23,26,30H,4-7,16-20H2,1-3H3,(H,29,32)/t22-,23-,26-/m0/s1/f/h29H 3049.3043049629 -1321.6633032 1-A 26835.7821 118 442 560 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.62771 -15.83761 -15.68230 -15.61641 -11.45450 -11.43337 -11.43307 -11.42071 -11.38089 -11.37532 -11.36532 -11.36399 -11.35644 -11.35376 -11.35342 -11.35294 -11.34043 -11.33841 -11.33381 -11.31251 -11.30520 -11.30420 -11.30308 -11.30279 -11.30162 -11.29192 -11.29012 -11.28480 -11.27493 -11.26682 -11.26548 -11.26173 -1.49763 -1.47961 -1.33668 -1.31254 -1.28244 -1.24532 -1.21809 -1.20078 -1.18343 -1.14935 -1.13295 -1.12045 -1.10837 -1.09245 -1.08137 -1.05723 -1.05182 -1.03888 -1.02029 -0.98711 -0.97173 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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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 5.0307 13.7701 18.8203 24.9913 25.8790 42.8017 49.2273 52.9245 61.6448 66.4941 83.2186 88.1037 116.6510 129.7629 150.2313 160.1418 180.9475 194.7515 201.5328 229.0300 240.4571 253.1222 270.3055 275.8586 284.2092 296.5413 312.2736 321.4393 336.0292 346.5465 361.9084 384.5153 393.0588 412.1993 456.3895 457.7344 461.5150 462.3421 471.3100 472.4655 477.2110 494.5069 498.7511 517.1094 531.1697 545.0120 564.7140 602.6786 625.5458 645.0365 651.8553 702.0777 704.3382 762.9258 781.8729 797.7206 816.0531 824.2766 839.6918 862.1474 866.5287 885.6701 898.3297 927.5745 935.4868 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1770.0050 1816.8209 1819.6005 1928.5230 3114.2225 3122.6735 3180.0516 3196.7288 3198.1817 3198.7515 3208.6759 3210.6560 3214.1652 3221.0382 3229.6866 3238.5159 3251.7667 3254.7845 3263.8756 3267.6500 3271.6737 3272.8210 3275.0808 3275.6259 3279.9771 3283.9625 3286.4320 3293.5451 3298.0013 3301.3953 3306.4790 3325.4305 3333.7004 3337.5273 3349.7650 3356.7712 3359.4469 3373.1567 3378.3529 3384.0872 3387.0534 3404.3494 3690.7444 3881.1460 4.8118 3.5279 3.8849 2.6363 1.2339 4.2962 3.9169 3.9776 3.9172 4.2553 3.2637 4.1825 3.6271 3.8751 2.9783 3.4629 2.4989 4.4424 3.5000 3.1103 1.3689 1.9490 1.7046 1.5633 2.7311 2.5932 2.9635 2.6431 3.8793 2.6526 3.5586 2.6125 4.3682 2.3810 2.8889 3.4751 2.4460 2.8195 3.2420 2.2557 2.8379 1.3115 2.7597 3.2636 2.7967 2.6545 2.5347 2.9800 2.5771 2.4407 3.4947 6.6466 6.5154 4.2396 3.2801 3.8304 3.7446 3.8082 3.5215 2.5722 2.2099 3.5785 2.9321 2.0412 1.5429 1.4172 1.3421 1.7008 1.2662 2.3081 2.4573 2.0530 2.1699 1.5672 2.2087 2.1389 2.1953 1.7764 2.3782 2.2508 1.4244 1.5951 1.3350 1.4728 1.3888 1.5638 1.3987 2.7909 2.8319 1.8894 1.7549 1.7078 2.2620 3.1833 1.5733 2.7609 2.6045 1.9716 1.8639 2.0480 2.1340 1.2069 2.4393 2.2444 1.8197 2.0807 1.6089 1.7266 1.3416 1.2074 2.8051 2.1643 2.0896 2.1042 1.8634 1.4825 1.3215 1.7789 1.5004 1.2751 1.1846 1.3944 1.3039 1.3846 1.3054 1.3867 1.2267 1.2894 1.2279 1.5796 1.3353 1.4453 1.3816 1.4357 1.4259 1.4354 1.5389 1.3483 1.2877 1.3010 1.3734 1.3465 1.7086 1.8026 1.3397 2.2550 1.3525 1.0898 1.0831 1.0809 1.0855 1.0948 1.0835 1.0960 1.1061 1.0509 1.0638 1.0969 1.0602 1.0894 1.0903 1.1054 2.3556 2.4440 2.1881 5.7204 5.4503 5.3640 5.3968 9.1820 1.0746 1.0738 1.0697 1.0476 1.0734 1.0852 1.0725 1.0639 1.0389 1.0362 1.0651 1.0944 1.1048 1.1026 1.0641 1.1016 1.0909 1.0910 1.0684 1.1000 1.0848 1.0895 1.1030 1.0996 1.1043 1.1038 1.0606 1.1110 1.0985 1.1020 1.0896 1.0910 1.0909 1.1118 1.0945 1.0954 1.0943 1.0930 1.0781 1.0794 0.0001 0.0004 0.0008 0.0010 0.0005 0.0046 0.0056 0.0066 0.0088 0.0111 0.0133 0.0191 0.0291 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1.6969 1.7540 1.6967 1.7522 1.7691 1.8079 3.9766 4.1278 3.7509 10.4805 10.0604 10.4319 10.5278 20.1205 6.1404 6.1694 6.3734 6.3076 6.4687 6.5419 6.5055 6.4616 6.3233 6.3339 6.5461 6.7628 6.8831 6.8819 6.6791 6.9303 6.8801 6.8852 6.7518 6.9539 6.8763 6.9229 7.0189 7.0277 7.0768 7.0885 6.8318 7.2388 7.1927 7.2321 7.2033 7.2432 7.2538 7.4533 7.3597 7.3914 7.3963 7.4631 8.6524 9.5799 0.0717 0.5525 0.6728 0.3226 0.2043 3.0347 2.8560 0.4455 2.0632 1.3840 0.1449 1.2958 2.7710 2.4173 0.8697 1.0920 0.8428 0.2939 8.9473 5.5699 0.4058 0.6482 2.0526 1.5845 1.4685 4.3618 8.2807 1.2783 0.5591 0.6356 23.1794 2.1112 2.9466 0.0762 0.3164 0.4584 0.6553 2.0614 11.8034 5.6482 1.8935 54.4276 4.7315 2.5209 10.2143 0.4972 1.2949 2.3709 22.6714 28.0566 4.0195 0.3827 0.2328 6.3702 2.6921 4.5450 2.6479 1.4621 3.0059 1.1080 10.6338 0.5957 22.4807 17.6258 18.2917 12.0696 2.8839 28.2007 1.1649 2.8385 5.7754 22.1936 9.1297 5.9226 13.4341 22.5400 47.0369 11.8463 22.9915 16.8055 0.0359 7.7079 1.5750 2.1075 2.8020 6.6284 0.4154 2.4430 1.7084 11.6721 12.5090 1.7464 7.4598 27.1338 9.9209 9.9676 7.2642 0.8334 1.7142 14.1166 52.1779 1.8670 24.6787 28.1776 5.3070 39.1884 12.3459 5.6326 13.2844 30.9015 8.4470 23.8546 32.2425 3.9730 20.1216 56.8597 24.9344 112.4692 21.9703 6.5190 10.8214 4.9278 2.8859 2.1310 19.5970 6.5345 3.4102 8.8368 5.8968 29.2228 7.6235 18.0551 2.4548 12.2215 4.2757 1.8305 4.9890 27.5590 5.5214 5.2135 32.9426 29.7209 37.7002 39.2528 69.0512 10.6248 24.0877 3.5822 19.2125 3.6899 19.9593 4.7916 9.8905 3.9756 8.3602 6.1943 9.3788 7.9938 5.2845 0.6262 25.9377 32.8942 453.8916 16.9413 375.8015 9.0324 0.3825 27.7631 83.4988 333.4419 20.0899 80.9276 17.7171 23.3418 55.1930 10.8505 18.3160 27.8171 18.7428 16.6622 16.1169 62.8554 5.7399 88.3099 2.1556 56.9732 41.9455 1.6375 4.6522 15.9210 21.5183 39.5370 19.5575 28.9313 15.0508 33.0597 1.1092 4.5683 5.8373 14.3915 22.9074 19.7976 9.0244 1.6170 10.6854 5.6954 12.0573 10.4511 25.7625 44.5178 1.8975 1.4430 1.0181 1.8625 0.8774 3.4463 5.0398 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1246.74 1274.28 1292.50 1334.57 1345.96 1348.83 1359.94 1368.51 1376.16 1392.90 1400.06 1407.92 1411.99 1422.32 1445.21 1450.56 1460.44 1511.27 1529.81 1530.60 1556.49 1561.69 1566.76 1572.14 1580.97 1584.90 1595.31 1596.36 1605.21 1631.16 1633.48 1655.44 1658.58 1665.83 1691.66 1715.46 1723.52 1737.42 1738.45 1751.41 1763.47 1787.26 1804.74 1825.95 1835.41 1840.47 1856.13 1867.43 1886.94 1889.87 1896.13 1912.01 1922.60 1923.95 1929.71 1967.70 1979.51 1980.83 1987.80 2034.32 2052.60 2078.68 2093.29 2099.71 2113.16 2115.48 2124.60 2137.33 2142.20 2152.02 2170.49 2180.08 2194.77 2197.49 2206.42 2209.19 2234.98 2238.94 2250.67 2254.26 2255.83 2259.27 2269.66 2269.79 2276.70 2283.34 2286.39 2345.79 2347.78 2348.43 2348.67 2350.99 2351.94 2358.29 2360.94 2364.78 2367.40 2370.32 2371.26 2377.22 2387.70 2397.14 2435.40 2435.97 2454.16 2537.14 2546.64 2614.00 2618.00 2774.71 4480.67 4492.83 4575.38 4599.38 4601.47 4602.29 4616.57 4619.42 4624.47 4634.36 4646.80 4659.50 4678.57 4682.91 4695.99 4701.42 4707.21 4708.86 4712.11 4712.90 4719.16 4724.89 4728.44 4738.68 4745.09 4749.97 4757.29 4784.55 4796.45 4801.96 4819.56 4829.65 4833.49 4853.22 4860.70 4868.95 4873.21 4898.10 5310.16 5584.10 0.690226 0.719692 0.720636 0.623662 -1320.973078 -1320.943612 -1320.942667 -1321.039642 3.252557D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE Cc1ccc(cc1)C[NH+]2CCC[C@@H](C2)C(=O)N[C@@H](C)c3ccc(cc3)N4CCC[C@@H](C4)C C44854907 RHF 6-31G(d) (6D,10F) C1 434.317138 |X|Y|Z| 66.559769 143.506629 42.558401 74.078076 28 6 7 25 3 |36.858105| |12.619013|36.858105| |7.549119|13.674002|36.858105| |5.016087|7.891603|13.791696|36.858105| |4.414349|6.788888|7.907957|13.685039|36.858105| |5.009510|7.886058|6.895471|7.963337|13.722839|36.858105| |7.543786|13.707919|7.978579|6.902661|7.913855|13.756754|36.858105| |3.273359|4.419573|5.034636|7.592104|12.662992|7.555671|5.021802|36.858105| |2.905093|3.744895|4.249025|5.879312|7.586389|5.517411|4.103155|12.557598|53.358707| |3.052491|3.941908|4.700813|6.636575|7.382310|5.195836|4.094004|9.325560|25.701187|0.500000| |2.385706|2.929610|3.291551|4.270537|4.985395|3.954776|3.138691|7.629345|17.280377|0.258689|36.858105| |2.147462|2.557067|2.837627|3.478036|3.826435|3.218156|2.689602|4.952788|10.414237|0.198435|12.511420|36.858105| |2.119789|2.499612|2.676761|3.169101|3.571380|3.187107|2.685479|4.359851|8.827935|0.163988|7.549810|12.468505|36.858105| |2.471334|2.968356|3.136568|3.704054|4.277232|3.888356|3.242693|4.930248|10.352029|0.197410|6.486378|7.558439|12.391977|36.858105| |2.569814|3.070539|3.311091|3.863900|4.210547|3.754822|3.238537|4.576868|9.318520|0.208165|5.683282|6.795063|8.835886|17.504672|0.500000| |2.851430|3.596421|3.786680|4.720049|6.138679|5.445846|4.126684|7.596889|17.246651|0.258712|7.675941|6.520199|7.546744|12.470569|0.246301|36.858105| |2.321172|2.706526|2.736135|3.070346|3.532287|3.475997|3.007981|3.832285|6.787243|0.129482|4.424337|4.921273|7.560039|12.437746|0.245231|7.731304|36.858105| |2.301732|2.679310|2.641573|2.943610|3.489106|3.585241|3.071937|3.786424|6.253979|0.114280|4.083802|4.220259|5.925828|8.044133|0.165894|7.099463|15.813427|73.516695| |2.151024|2.438831|2.465837|2.689754|2.959247|2.916220|2.634032|3.109003|5.303877|0.106749|3.577898|4.136412|5.919334|7.827570|0.205689|5.227639|14.268733|15.058032|53.358707| |1.970912|2.179042|2.157525|2.294863|2.506249|2.541958|2.356587|2.582378|4.155684|0.083184|2.843666|3.172888|4.188103|4.964243|0.131491|3.898345|7.711884|11.956469|17.583925|36.858105| |2.078910|2.294526|2.227726|2.347831|2.595600|2.705026|2.522943|2.630283|4.129367|0.081839|2.757486|2.959755|3.802063|4.664809|0.121494|3.942493|7.290241|13.051032|12.592636|17.619912|0.500000| |1.737345|1.913044|1.901484|2.035172|2.230039|2.250265|2.071489|2.351950|3.738298|0.073484|2.674013|3.007396|3.958508|4.202161|0.107035|3.394213|5.977672|10.301606|10.473739|12.455062|0.248432|36.858105| |1.895443|2.053244|2.038290|2.126262|2.254481|2.275622|2.166797|2.274196|3.602048|0.074176|2.467850|2.756898|3.428786|3.960129|0.113143|3.203977|5.182425|7.994288|10.656304|12.561800|0.249168|7.468600|36.858105| |1.951170|2.075329|2.026950|2.068525|2.173713|2.234118|2.180050|2.137043|3.292899|0.068216|2.216579|2.402507|2.872801|3.364045|0.097146|2.887885|4.207900|6.841210|7.526799|7.558121|0.205738|5.224495|13.776793|36.858105| |1.832945|1.915535|1.879054|1.894350|1.952466|1.993510|1.974200|1.906336|2.902057|0.060802|1.970950|2.133561|2.471391|2.813929|0.082716|2.458727|3.300014|5.380990|5.610590|5.001488|0.133642|3.954583|7.872887|13.716435|36.858105| |1.689896|1.768190|1.761785|1.787424|1.825183|1.832326|1.803526|1.802152|2.762218|0.058221|1.911067|2.104019|2.414751|2.664002|0.079086|2.293575|3.027047|4.853606|5.164818|4.386173|0.110450|3.693455|6.739194|7.882647|13.706583|36.858105| |1.653412|1.755012|1.769960|1.825522|1.873805|1.856346|1.796803|1.884262|2.942003|0.061896|2.068891|2.335657|2.726786|2.941688|0.087321|2.447659|3.349159|5.234659|5.949793|4.994459|0.116560|4.313911|7.882446|6.928010|7.986808|13.612284|36.858105| |1.739274|1.875806|1.892170|1.979669|2.066114|2.045488|1.947912|2.104855|3.348741|0.069726|2.356117|2.698826|3.290796|3.582444|0.104701|2.866774|4.299882|6.533486|8.373147|7.484105|0.155226|6.109578|13.648217|8.019619|6.911957|7.875012|13.832733|36.858105| |1.570743|1.622450|1.619308|1.628884|1.644683|1.647837|1.636980|1.616972|2.445713|0.051732|1.702431|1.859858|2.081886|2.258892|0.067069|1.986890|2.487901|4.045904|4.060494|3.313120|0.085617|2.925691|4.499937|5.112270|7.730844|13.533232|7.878324|5.163083|53.358707| |1.532682|1.562635|1.542335|1.534810|1.549049|1.569356|1.576526|1.509366|2.246938|0.047322|1.555873|1.671382|1.854551|2.020617|0.059370|1.820478|2.226111|3.701465|3.530771|2.899581|0.077792|2.587611|3.742029|4.483497|6.628463|7.791626|5.144973|3.936158|17.830006|36.858105| |1.384560|1.403741|1.391187|1.382855|1.388258|1.400460|1.408438|1.356678|2.005536|0.042225|1.402149|1.503221|1.644761|1.761784|0.051572|1.601094|1.907606|3.191048|2.966669|2.388022|0.063996|2.198673|2.938934|3.320594|4.355349|5.101336|3.978715|3.148683|10.608301|12.486624|36.858105| |1.379134|1.395534|1.395330|1.384670|1.375795|1.375724|1.385583|1.342958|1.987013|0.042166|1.392361|1.496566|1.617578|1.724105|0.051003|1.566779|1.829609|3.032380|2.827602|2.209278|0.058756|2.026979|2.680111|2.939988|3.721500|4.444382|3.680130|2.923644|8.963753|7.557707|12.469693|36.858105| |1.415107|1.447071|1.461706|1.463166|1.451812|1.437282|1.435267|1.427298|2.137503|0.045579|1.506084|1.641094|1.777320|1.882263|0.056204|1.682835|1.984418|3.238260|3.109384|2.398096|0.062414|2.194201|2.951879|3.127342|3.925852|5.092959|4.443586|3.375439|10.485457|6.515658|7.564314|12.443677|36.858105| |1.339323|1.376115|1.391522|1.402100|1.398875|1.383084|1.372319|1.386710|2.081023|0.044138|1.479701|1.620935|1.761410|1.842279|0.054556|1.639416|1.950297|3.190731|3.062802|2.382251|0.061473|2.227127|2.918882|3.017684|3.705617|4.889141|4.523328|3.415997|9.601100|5.791189|6.895118|8.918494|17.509441|0.500000| |1.573398|1.621426|1.636953|1.643164|1.636152|1.620507|1.613726|1.605377|2.431229|0.052028|1.696753|1.860509|2.044844|2.203073|0.066527|1.940048|2.348807|3.776751|3.775026|2.922284|0.075212|2.584573|3.778493|4.065250|5.412260|7.844051|6.281768|4.405166|17.741342|7.852278|6.597569|7.607317|12.457785|0.249446|36.858105| |1.395021|1.422702|1.450148|1.448821|1.421872|1.395796|1.396459|1.396313|2.086017|0.044803|1.474830|1.605980|1.709730|1.797802|0.054079|1.616848|1.853005|3.014328|2.857613|2.141959|0.055842|1.964694|2.553760|2.649657|3.160966|3.864607|3.593081|2.892585|6.788386|4.402094|4.903325|7.510006|12.462814|0.247118|7.562573|36.858105| |17.544538|8.879323|6.369285|4.493489|3.975941|4.425100|6.193874|3.040099|3.611457|0.076620|2.228191|1.995443|1.950842|2.227207|0.063729|2.563404|2.090897|3.709334|2.638149|1.786642|0.052149|1.597407|1.716551|1.759234|1.660285|1.541547|1.512596|1.586804|1.962540|1.410540|1.284695|1.281086|1.311696|0.034603|1.445570|1.297025|0.500000| |17.591118|8.842809|5.613713|4.187277|3.950276|4.715355|7.138650|3.021356|3.711929|0.078451|2.252594|2.048611|2.060358|2.417057|0.069283|2.767099|2.328663|4.152427|2.950868|2.016222|0.059792|1.771091|1.941294|2.024038|1.898042|1.729873|1.677388|1.763198|2.185357|1.579538|1.421191|1.405622|1.432026|0.037613|1.594474|1.401342|0.302034|0.500000| |17.580482|8.844762|7.033624|4.688438|3.951455|4.208983|5.672189|3.024323|3.773550|0.082612|2.300332|2.106855|2.073799|2.409729|0.070882|2.708678|2.254876|3.911960|2.890435|1.944119|0.056474|1.706259|1.898075|1.961553|1.864539|1.728560|1.684668|1.756044|2.200798|1.577058|1.427180|1.432415|1.471115|0.038471|1.635215|1.460024|0.302132|0.301474|0.500000| |7.002438|8.902205|17.716548|8.957703|5.639436|4.963694|5.660363|4.109899|4.956338|0.113658|2.955294|2.615797|2.447946|2.807526|0.083547|3.242411|2.462930|4.186677|3.087929|2.000452|0.056886|1.770514|1.920966|1.917314|1.803403|1.705973|1.709073|1.805515|2.156141|1.510779|1.371549|1.386609|1.452653|0.038298|1.617459|1.454176|0.172771|0.142164|0.208977|0.500000| |4.098657|5.632668|8.962476|17.669334|8.867658|5.644511|4.964164|7.018109|7.997085|0.195531|4.534256|3.694434|3.213866|3.612728|0.106300|4.401343|2.924198|4.899275|3.529522|2.199395|0.061529|1.969021|2.051881|1.976852|1.824308|1.744711|1.796969|1.941955|2.174500|1.496287|1.355855|1.366615|1.453240|0.038756|1.625607|1.449958|0.105291|0.096507|0.111321|0.217465|0.500000| |4.093550|5.631865|4.962398|5.646685|8.890815|17.699019|8.946719|6.967508|7.189317|0.130033|3.928447|3.196843|3.253368|3.946133|0.101464|5.638960|3.654903|7.022561|4.079986|2.641428|0.079122|2.365350|2.315119|2.261784|1.994979|1.824367|1.853515|2.060833|2.221790|1.557054|1.387643|1.352969|1.410550|0.037885|1.589211|1.360431|0.103227|0.112266|0.097156|0.107684|0.123795|0.500000| |6.988729|8.913648|5.659245|4.967801|5.645299|8.953945|17.721408|4.098921|4.739286|0.095079|2.764709|2.417791|2.461146|2.948360|0.080946|3.643066|2.845060|5.276586|3.426394|2.308603|0.069660|2.036714|2.125702|2.167147|1.962388|1.776099|1.753679|1.895382|2.197702|1.570137|1.401940|1.370123|1.407760|0.037399|1.578709|1.362021|0.164704|0.215592|0.144239|0.124197|0.107722|0.217240|0.500000| |3.016251|3.942985|4.183442|5.605098|8.818830|7.152078|4.718594|17.633543|12.379621|0.182482|6.820831|4.558810|4.217257|4.660458|0.114400|7.206575|3.825742|7.065191|4.153428|2.579898|0.073796|2.390387|2.234983|2.097817|1.858799|1.748911|1.828113|2.052586|2.132147|1.468618|1.320737|1.298599|1.374082|0.037234|1.540924|1.336187|0.078755|0.079216|0.076416|0.096435|0.141719|0.216225|0.112364|0.500000| |3.034078|3.968918|4.707615|7.051933|8.880737|5.723152|4.243133|17.623572|12.409507|0.218470|7.479169|4.784082|3.940756|4.151309|0.109902|5.611749|3.265569|5.675619|3.728360|2.304544|0.064469|2.130732|2.061658|1.937554|1.751656|1.674618|1.754610|1.940493|2.064962|1.416458|1.283807|1.277951|1.359907|0.036761|1.517233|1.340076|0.080141|0.076729|0.078880|0.111618|0.208089|0.145395|0.097906|0.301674|0.500000| |2.262504|2.753996|2.999750|3.789238|4.591577|3.846055|3.026043|7.056216|12.441866|0.181955|17.604854|8.783348|6.785948|5.740353|0.132405|7.030985|4.291820|7.463003|4.647074|2.784645|0.075840|2.683572|2.377532|2.137771|1.891531|1.824747|1.970577|2.251218|2.212792|1.494959|1.349546|1.331351|1.431531|0.039223|1.605159|1.393970|0.059191|0.059972|0.059909|0.074451|0.107919|0.111082|0.075414|0.206778|0.188167|0.500000| |2.356453|2.881183|3.324018|4.365478|4.816052|3.713180|3.006660|7.181745|12.379168|0.224019|17.624176|8.785560|5.488952|4.871163|0.127529|5.608592|3.568232|5.913451|4.110067|2.469416|0.066663|2.332088|2.197839|2.000651|1.807647|1.764100|1.897745|2.123003|2.165816|1.460361|1.326693|1.325758|1.432061|0.039039|1.599496|1.414560|0.061869|0.061003|0.063401|0.084294|0.136114|0.099822|0.073100|0.170115|0.235435|0.301256|0.500000| |1.929966|2.259652|2.489373|2.990250|3.245243|2.785425|2.366327|4.128135|7.600962|0.144973|8.970255|17.577514|8.806334|5.495303|0.139108|4.892757|4.082358|6.461548|4.855731|2.857809|0.073802|2.806438|2.509434|2.189220|1.965038|1.957562|2.181687|2.497846|2.377562|1.572420|1.427282|1.422503|1.560056|0.043089|1.749008|1.530897|0.050372|0.051255|0.052637|0.064557|0.088671|0.077525|0.059809|0.109237|0.115341|0.214139|0.212527|0.500000| |2.192982|2.598708|2.944835|3.591237|3.752008|3.110747|2.660740|4.588263|9.330738|0.208405|8.877335|17.515329|8.812278|6.744841|0.198031|5.679966|4.476400|6.656973|5.420294|3.056062|0.078653|2.832175|2.748963|2.411706|2.171987|2.163386|2.402769|2.736782|2.617216|1.717574|1.546824|1.555003|1.717734|0.046912|1.952136|1.697284|0.056382|0.057659|0.060608|0.076690|0.109016|0.083466|0.065963|0.112189|0.125684|0.173194|0.215218|0.303958|0.500000| |2.009379|2.355922|2.477439|2.907258|3.349171|3.072628|2.575347|4.137793|7.711522|0.135418|6.767724|8.835025|17.542085|8.854155|0.173910|6.781454|7.120842|11.334873|7.346766|4.092501|0.105129|4.104191|3.251669|2.736136|2.341508|2.271922|2.550036|3.079493|2.673558|1.766959|1.572673|1.534169|1.671276|0.046256|1.906214|1.598260|0.051763|0.054653|0.054084|0.062680|0.080796|0.089768|0.066489|0.117722|0.103836|0.198421|0.138772|0.214762|0.173240|0.500000| |1.958467|2.262906|2.415153|2.784852|3.036266|2.753463|2.392866|3.537547|6.634755|0.131483|5.508339|8.846412|17.589079|8.804320|0.215379|5.501504|6.793985|9.213555|8.514267|4.429953|0.106431|4.272078|3.707995|3.011629|2.606775|2.602948|3.026992|3.710241|3.037631|1.956372|1.735136|1.710241|1.902647|0.052720|2.198173|1.827223|0.050140|0.053075|0.053768|0.062400|0.078951|0.077445|0.061548|0.094680|0.091000|0.139055|0.123261|0.210136|0.215202|0.303373|0.500000| |3.307902|4.284461|4.363396|5.292678|7.069838|6.801450|5.091462|7.149988|12.381003|0.224201|5.614841|4.893522|5.487926|8.780116|0.214454|17.674271|6.943392|11.758905|6.818638|3.872359|0.112801|3.250465|3.248658|3.025501|2.570165|2.352715|2.457487|2.844036|2.773500|1.883890|1.646317|1.607953|1.714330|0.046032|1.985291|1.643692|0.080624|0.089892|0.086417|0.100777|0.128636|0.190588|0.123013|0.183973|0.144051|0.144356|0.126778|0.107780|0.127507|0.139090|0.123079|0.500000| |2.645070|3.280633|3.354616|4.083166|5.425014|5.156801|3.873425|6.990637|12.386763|0.181704|7.020764|5.769856|6.814453|8.835437|0.173772|17.659218|7.141331|13.912336|6.503584|3.766125|0.107784|3.426990|3.023184|2.727282|2.314737|2.153221|2.294679|2.691260|2.546924|1.727788|1.526297|1.483317|1.582954|0.043085|1.809361|1.513934|0.067096|0.072137|0.068898|0.080140|0.105339|0.162065|0.097962|0.219290|0.146423|0.212347|0.143909|0.129342|0.132486|0.199848|0.139435|0.301982|0.500000| |2.142477|2.419839|2.488735|2.710700|2.903443|2.798436|2.553714|3.032171|5.238553|0.109525|3.561996|4.261866|5.874043|7.470778|0.230445|4.868713|9.438560|10.858347|26.069965|8.972430|0.185882|6.083664|7.609697|5.397336|4.244294|4.073238|4.850872|6.817146|4.345995|2.707125|2.274077|2.200479|2.466380|0.067196|3.041070|2.283751|0.053554|0.059465|0.059503|0.064379|0.073673|0.078080|0.067079|0.080733|0.075307|0.091613|0.084740|0.101554|0.119454|0.138793|0.184009|0.129677|0.118628|0.500000| |1.641464|1.784168|1.758377|1.858802|2.023531|2.064133|1.927471|2.107207|3.267982|0.064487|2.331280|2.569283|3.234003|3.427646|0.089007|2.902229|4.594327|8.258732|7.605189|8.844500|0.213913|17.575327|6.840835|5.265022|4.058766|3.745150|4.235738|5.637599|4.065834|2.689295|2.282997|2.064810|2.204872|0.062561|2.572278|1.947764|0.042075|0.046777|0.044798|0.045686|0.049834|0.060301|0.053204|0.059666|0.053360|0.065247|0.057368|0.067327|0.067791|0.093160|0.095574|0.078669|0.081833|0.131029|0.500000| |1.756970|1.952098|1.936486|2.093422|2.334135|2.363714|2.142421|2.502692|3.969747|0.076265|2.864713|3.178786|4.256662|4.434069|0.107412|3.662585|6.434444|12.316831|9.520160|8.826165|0.216626|17.589371|5.476235|4.234398|3.308866|3.078219|3.487740|4.609222|3.430184|2.272157|1.961198|1.822899|1.957368|0.054994|2.269231|1.777930|0.045031|0.049701|0.047513|0.049700|0.056081|0.070139|0.058553|0.071907|0.062632|0.081692|0.068576|0.082691|0.080863|0.129548|0.123040|0.095563|0.106726|0.149375|0.300961|0.500000| |1.647531|1.812325|1.824490|1.961367|2.124995|2.107175|1.938517|2.262918|3.632509|0.072016|2.665282|3.091176|4.061417|4.060103|0.105344|3.202098|5.315054|8.628764|9.404211|8.760396|0.173847|17.568928|6.710749|4.627105|3.725958|3.689617|4.563213|6.579549|4.020622|2.555895|2.200357|2.050487|2.257522|0.064391|2.647569|2.030174|0.042241|0.046292|0.045206|0.047548|0.053373|0.060892|0.052513|0.063345|0.057686|0.073706|0.064937|0.081446|0.081450|0.115514|0.128498|0.083647|0.088689|0.168674|0.301337|0.300680|0.500000| |2.067440|2.193850|2.105413|2.133278|2.264216|2.375801|2.335196|2.199911|3.339710|0.068601|2.213779|2.346942|2.794198|3.338912|0.094694|2.967655|4.242041|7.213596|7.097084|7.014073|0.228591|4.896963|8.933843|17.698404|8.959769|5.636715|4.979217|5.672063|5.652819|3.912716|2.985241|2.646209|2.738506|0.073049|3.423763|2.365197|0.051564|0.060315|0.057267|0.054865|0.055904|0.067354|0.065331|0.060428|0.054923|0.059763|0.055411|0.059164|0.064828|0.074811|0.079276|0.088225|0.078615|0.134169|0.138788|0.116050|0.115355|0.500000| |1.841930|1.896879|1.841844|1.832316|1.879170|1.937554|1.947397|1.812603|2.714135|0.056878|1.832688|1.952799|2.224649|2.534831|0.074258|2.278065|2.922778|4.871429|4.745930|4.102179|0.115096|3.347513|5.642570|8.970750|17.758814|8.887673|5.654484|4.975948|9.525536|7.394533|4.660439|3.863698|3.830340|0.098163|5.045937|3.088449|0.046351|0.053426|0.052173|0.049269|0.048776|0.053742|0.054254|0.049143|0.046341|0.048985|0.047022|0.050062|0.055210|0.058853|0.064252|0.066897|0.059816|0.098420|0.096441|0.080450|0.086955|0.218700|0.500000| |1.544594|1.635900|1.662476|1.717992|1.751707|1.720904|1.664113|1.772046|2.760702|0.058218|1.970885|2.240740|2.570399|2.692380|0.079940|2.252002|2.969576|4.663162|5.092837|4.080080|0.096412|3.746322|5.628728|4.982541|5.669896|8.905994|17.732757|8.965571|9.897064|4.739370|3.958439|3.802016|4.866512|0.145197|6.544616|3.949257|0.039489|0.043286|0.043828|0.044881|0.047387|0.047599|0.044975|0.047676|0.046289|0.052077|0.050648|0.058888|0.064436|0.066760|0.080092|0.062177|0.058784|0.116077|0.102070|0.086417|0.114001|0.108004|0.124134|0.500000| |1.673439|1.818680|1.852661|1.963124|2.055302|2.010009|1.890543|2.133211|3.436791|0.071206|2.477344|2.913768|3.606147|3.739343|0.107896|2.918438|4.400956|6.593588|8.478423|6.900710|0.139653|6.466343|8.862065|5.669895|4.970848|5.633468|9.010224|17.691281|5.721896|3.301476|2.770700|2.625257|3.051180|0.087294|3.798188|2.693306|0.042635|0.046789|0.046808|0.049097|0.053973|0.056387|0.050785|0.057871|0.054955|0.065793|0.061782|0.075778|0.081733|0.093722|0.117643|0.078363|0.076470|0.195407|0.156466|0.136220|0.223050|0.124142|0.107887|0.218468|0.500000| |1.631118|1.649957|1.620675|1.597778|1.604302|1.632355|1.655876|1.546347|2.289744|0.048433|1.569204|1.671588|1.844418|2.035667|0.060184|1.853003|2.228887|3.709780|3.497509|2.827447|0.077182|2.471192|3.589428|4.433794|6.479821|6.646752|4.512232|3.630370|12.248684|17.411268|8.853281|6.768638|5.686078|0.132819|6.979344|4.204693|0.041522|0.046882|0.046857|0.044197|0.043091|0.044762|0.045907|0.041652|0.040230|0.041762|0.040988|0.043432|0.047862|0.048628|0.053547|0.053834|0.048613|0.074496|0.070569|0.060962|0.067013|0.111195|0.224880|0.113357|0.084813|0.500000| |1.511483|1.543855|1.513730|1.509715|1.537407|1.568750|1.572327|1.501763|2.229843|0.046585|1.544640|1.653622|1.849547|2.016367|0.058492|1.822097|2.259281|3.804868|3.581908|3.032267|0.082339|2.736033|3.906528|4.806912|7.036719|7.345220|4.975536|3.974593|12.518385|17.597317|8.875113|5.515625|4.893929|0.129960|5.687948|3.560117|0.038688|0.043483|0.042886|0.040943|0.040706|0.043561|0.043756|0.040868|0.039021|0.041511|0.040114|0.043267|0.046774|0.049411|0.054019|0.052371|0.048449|0.074813|0.080832|0.066429|0.074091|0.118111|0.225969|0.123650|0.092087|0.301428|0.500000| |1.354493|1.363320|1.343267|1.327956|1.332985|1.352261|1.367805|1.296989|1.901119|0.039930|1.325852|1.409106|1.535049|1.647383|0.047982|1.514903|1.782210|3.011579|2.734719|2.200383|0.059863|2.033489|2.647466|3.020250|3.845566|4.181732|3.333799|2.756273|7.680282|8.887353|17.539968|8.809431|5.499516|0.140469|4.931370|4.065112|0.034997|0.038782|0.038755|0.036812|0.036058|0.037251|0.038016|0.035157|0.034106|0.035562|0.034925|0.037188|0.040150|0.040958|0.044629|0.043441|0.040274|0.057655|0.058917|0.050911|0.055999|0.077657|0.118682|0.090756|0.067938|0.217126|0.213019|0.500000| |1.310590|1.335289|1.326120|1.326348|1.337389|1.346571|1.345686|1.317011|1.950506|0.040886|1.374725|1.480106|1.623725|1.720422|0.050014|1.557275|1.868889|3.134668|2.910723|2.361862|0.062789|2.222857|2.890046|3.178123|4.043094|4.846070|3.988148|3.154509|9.538266|8.913084|17.540798|8.847540|6.780589|0.202470|5.762600|4.501243|0.033893|0.037296|0.037362|0.036239|0.036205|0.037218|0.037190|0.035740|0.034678|0.036885|0.036103|0.039258|0.042144|0.043344|0.047820|0.044156|0.041453|0.061738|0.064687|0.054912|0.062357|0.078907|0.115328|0.113461|0.078175|0.174225|0.218390|0.302397|0.500000| |1.440745|1.447497|1.444437|1.422397|1.405191|1.407691|1.428456|1.360529|2.003886|0.042693|1.394118|1.488662|1.600407|1.720281|0.051139|1.575607|1.814637|3.008966|2.782958|2.152293|0.057795|1.949669|2.588634|2.879884|3.625518|4.128028|3.387892|2.760727|7.793089|6.772277|8.851467|17.484103|8.855760|0.174370|6.810400|6.964738|0.037104|0.040844|0.041796|0.040025|0.038923|0.038279|0.039261|0.036429|0.035950|0.036934|0.036960|0.039141|0.043096|0.042036|0.046679|0.045228|0.041281|0.060189|0.054830|0.049036|0.054342|0.073112|0.107497|0.094740|0.068694|0.198344|0.139156|0.215381|0.173675|0.500000| |1.283579|1.295885|1.297267|1.287678|1.278121|1.276542|1.285378|1.250702|1.841864|0.039004|1.298080|1.392088|1.494632|1.578618|0.046463|1.442726|1.665435|2.775610|2.547036|1.981078|0.052790|1.845863|2.351964|2.537520|3.097857|3.611897|3.133912|2.560330|6.704918|5.501122|8.818621|17.540954|8.814652|0.215312|5.520449|6.820295|0.033297|0.036279|0.036998|0.035893|0.035392|0.034900|0.035328|0.033651|0.033204|0.034562|0.034473|0.036967|0.040122|0.039533|0.043842|0.040982|0.038099|0.054804|0.052323|0.046480|0.052053|0.064257|0.088826|0.091287|0.065142|0.138979|0.123676|0.210079|0.214816|0.303196|0.500000| |1.583641|1.648351|1.680318|1.703135|1.695537|1.662690|1.640600|1.678195|2.571898|0.055246|1.808236|2.012277|2.216435|2.365085|0.072048|2.047059|2.498589|3.955229|4.065024|3.082705|0.077490|2.732276|3.987096|4.038555|5.039435|7.437539|7.227579|4.940448|12.453368|5.686221|4.929606|5.533950|8.868763|0.217719|17.615337|6.934038|0.040415|0.044282|0.045681|0.046094|0.047112|0.045246|0.044264|0.044591|0.044139|0.047262|0.047280|0.052585|0.059067|0.056891|0.067141|0.057629|0.052751|0.093098|0.074262|0.066328|0.079315|0.093126|0.123437|0.231256|0.121068|0.142944|0.127740|0.108322|0.128904|0.139843|0.123789|0.500000| |1.684512|1.725010|1.739545|1.729990|1.708810|1.694831|1.702960|1.657565|2.499915|0.053886|1.724392|1.874422|2.044948|2.236707|0.068251|1.989090|2.362189|3.793923|3.754176|2.853988|0.074639|2.471301|3.630954|4.019295|5.303810|6.713337|5.286331|4.019801|12.299243|7.029297|5.762288|6.815691|8.831194|0.174563|17.399117|6.973812|0.042779|0.047454|0.049002|0.047949|0.047421|0.045846|0.046237|0.043954|0.043449|0.045101|0.045269|0.048587|0.054932|0.052654|0.060408|0.057157|0.051155|0.084202|0.067746|0.060948|0.069340|0.096343|0.144173|0.143364|0.096214|0.207081|0.143465|0.129130|0.132716|0.200006|0.139437|0.302691|0.500000| |1.298235|1.319269|1.343210|1.340781|1.316062|1.293335|1.295069|1.294426|1.921275|0.041110|1.364992|1.479730|1.566416|1.634682|0.048781|1.481829|1.681728|2.758777|2.566024|1.927912|0.050538|1.793662|2.259180|2.336998|2.741902|3.265474|3.068225|2.532051|5.601615|3.833952|4.521196|6.853748|8.791851|0.212508|5.494338|17.555245|0.033707|0.036226|0.037682|0.037475|0.037311|0.035075|0.035166|0.034508|0.034636|0.035980|0.036505|0.039417|0.043278|0.040925|0.046352|0.041756|0.038763|0.056417|0.049656|0.045402|0.051484|0.058694|0.075159|0.093517|0.066309|0.101227|0.088825|0.108002|0.118963|0.173143|0.203798|0.141608|0.141542|0.500000| 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