Version2.0 2020-02-16T08:29:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 10-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC[C@@H](c1nnnn1Cc2ccccc2)[NH+](Cc3cc4cc(cc(c4[nH]c3=O)C)C)C5CCCC5 C13500068 RHF 6-31G(d) (6D,7F) CCC[C@@H](c1nnnn1Cc2ccccc2)[NH+](Cc3cc4cc(cc(c4[nH]c3=O)C)C)C5CCCC5 C01[X(C29H37N6O1)] 213 C1 614 CCC[C@@H](c1nnnn1Cc1ccccc1)[NH+](C1CCCC1)Cc1cc2cc(C)cc(c2[nH]c1=O)C CCC[C@@H](c1nnnn1Cc1ccccc1)[NH+](C1CCCC1)Cc1cc2cc(C)cc(c2[nH]c1=O)C CCC[C@H]([NH+](CC1=Cc2cc(C)cc(C)c2NC1=O)C3CCCC3)c4nnnn4Cc5ccccc5 InChIKey=VGCZUQBHJISRME-SANMLTNESA-O InChI=1S/C29H36N6O/c1-4-10-26(28-31-32-33-35(28)18-22-11-6-5-7-12-22)34(25-13-8-9-14-25)19-24-17-23-16-20(2)15-21(3)27(23)30-29(24)36/h5-7,11-12,15-17,25-26H,4,8-10,13-14,18-19H2,1-3H3,(H,30,36)/p+1/t26-/m0/s1 InChI=1/C29H36N6O/c1-4-10-26(28-31-32-33-35(28)18-22-11-6-5-7-12-22)34(25-13-8-9-14-25)19-24-17-23-16-20(2)15-21(3)27(23)30-29(24)36/h5-7,11-12,15-17,25-26H,4,8-10,13-14,18-19H2,1-3H3,(H,30,36)/p+1/t26-/m0/s1/fC29H37N6O/h30,34H/q+1 CCC[C@@H](c1nnnn1Cc2ccccc2)[NH+](Cc3cc4cc(cc(c4[nH]c3=O)C)C)C5CCCC5 C01[X(C29H37N6O1)] 213 C01 614 CCC[C@@H](c1nnnn1Cc1ccccc1)[NH+](C1CCCC1)Cc1cc2cc(C)cc(c2[nH]c1=O)C CCC[C@@H]([C@@H]1NNNN1Cc1ccccc1)[NH](C1CCCC1)CC1=Cc2cc(C)cc(c2N[C@@H]1O)C CCC[C@@H]([C@@H]1NNNN1Cc2ccccc2)[NH](CC3=Cc4cc(C)cc(C)c4N[C@@H]3O)C5CCCC5 InChIKey=KFYGVYCTGHCOLG-WIIGKZCBSA-N InChI=1S/C29H43N6O/c1-4-10-26(28-31-32-33-35(28)18-22-11-6-5-7-12-22)34(25-13-8-9-14-25)19-24-17-23-16-20(2)15-21(3)27(23)30-29(24)36/h5-7,11-12,15-17,25-26,28-34,36H,4,8-10,13-14,18-19H2,1-3H3/t26-,28+,29+/m0/s1 InChI=1/C29H43N6O/c1-4-10-26(28-31-32-33-35(28)18-22-11-6-5-7-12-22)34(25-13-8-9-14-25)19-24-17-23-16-20(2)15-21(3)27(23)30-29(24)36/h5-7,11-12,15-17,25-26,28-34,36H,4,8-10,13-14,18-19H2,1-3H3/t26-,28+,29+/m0/s1 4064.6732104733 -1521.0817716 1-A 17366.6960 130 484 614 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.64985 -15.80978 -15.78217 -15.75406 -15.73779 -15.73236 -15.70100 -11.48037 -11.44485 -11.44302 -11.42143 -11.40380 -11.40324 -11.39862 -11.39422 -11.37359 -11.36290 -11.35649 -11.35177 -11.35167 -11.34296 -11.34195 -11.34090 -11.34042 -11.34029 -11.33517 -11.33464 -11.33449 -11.33442 -11.33346 -11.33237 -11.32728 -11.31773 -11.31711 -11.31438 -11.31123 -1.62112 -1.52060 -1.44985 -1.39742 -1.38213 -1.31943 -1.27045 -1.26325 -1.24792 -1.23795 -1.21038 -1.16652 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2.5567 1.7090 1.3370 1.8541 2.5784 1.6888 2.5157 1.3465 3.4156 1.8787 2.2907 2.3103 1.6072 5.5771 1.6918 2.5741 1.3644 1.6309 1.5640 2.2902 2.0978 1.7576 1.3451 7.2860 2.9881 2.2669 1.4849 1.5381 1.8086 2.8280 2.4801 2.3222 2.7435 2.7969 1.9091 3.2625 1.8940 2.4080 1.1970 2.5503 1.7587 1.3595 1.8403 1.7144 1.4650 1.5701 1.5686 1.5439 2.5583 1.2338 1.8289 1.2727 1.2912 4.8072 1.7016 1.2724 1.1697 1.3051 1.4132 1.3819 1.3375 1.4265 1.2820 1.3565 2.0663 1.5018 1.4076 1.3435 1.7427 1.2323 1.2755 1.4369 2.0352 3.3319 1.6857 2.0906 1.4544 1.0442 1.1161 1.0431 1.1362 1.2074 1.3096 1.0916 1.0480 1.1073 1.3173 1.3525 1.5564 1.1166 1.5810 2.0529 1.4418 1.1110 6.7574 5.1726 6.6020 5.1382 5.4961 6.1298 5.5989 1.0414 1.0619 1.0401 1.0373 1.0722 1.0667 1.0639 1.0914 1.0667 1.1029 1.0815 1.1029 1.0855 1.1030 1.1011 1.0615 1.1006 1.1021 1.1030 1.1054 1.0982 1.0632 1.1002 1.1015 1.0975 1.0906 1.0921 1.1028 1.0887 1.0915 1.0947 1.0925 1.0922 1.0958 1.0990 1.0791 1.0781 0.0003 0.0015 0.0021 0.0026 0.0031 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5.0492 2.5599 3.2444 2.2585 1.6321 1.7509 1.6420 1.7911 1.9083 2.0733 1.7358 1.6675 1.7688 2.1084 2.1679 2.5124 1.8070 2.5659 3.3811 2.3795 1.8389 12.1211 9.7202 12.4796 9.9192 10.6406 12.1321 11.6883 6.2739 6.4355 6.3163 6.3012 6.5669 6.5543 6.5642 6.7488 6.6240 6.8551 6.7349 6.9404 6.8410 6.9736 6.9778 6.7511 7.0123 7.0268 7.0331 7.0925 7.0744 6.8503 7.1205 7.2147 7.2017 7.2203 7.2855 7.3608 7.2770 7.2986 7.3239 7.3414 7.3433 7.4126 7.4728 8.1280 9.4296 0.4191 1.0060 0.7699 0.0376 0.4235 0.1762 0.4764 0.4913 2.1707 0.5086 0.8514 1.0037 0.4532 4.4604 2.4708 3.1549 1.0089 2.4232 6.0710 2.5649 0.1734 2.0549 1.0514 0.3419 0.6365 1.5952 1.3689 0.2002 0.7320 1.8374 2.8777 5.5405 6.8114 0.7824 0.2892 2.3981 1.2498 1.1635 12.8883 5.5136 0.3830 12.3610 9.7511 4.2115 1.4295 9.6812 1.5494 4.3564 21.3460 2.9290 1.6136 7.8482 3.3950 12.4995 0.7716 14.8940 44.0684 9.9731 3.2822 26.2581 38.2504 17.4635 6.0727 29.4102 10.6045 27.5497 6.5794 24.4351 31.3038 4.5043 10.4750 5.6914 8.3730 0.2162 2.7934 0.8736 3.6004 14.5077 8.8175 15.0478 3.8057 7.5022 3.8363 10.2230 6.1798 26.2758 14.0268 13.1226 3.3424 14.1941 13.7903 0.0670 15.3798 2.1946 1.5071 12.1655 2.4288 0.2086 0.7382 21.6629 5.4129 0.2652 3.8393 1.8751 7.9307 0.2350 6.5846 12.1998 9.1941 23.4289 23.2294 2.0040 63.0068 1.1900 7.8533 7.1877 1.8127 3.2643 5.3001 34.3865 46.9632 53.4326 6.3079 9.2573 7.3693 7.7233 0.3865 0.5128 17.4641 19.5821 7.0289 11.9619 0.6414 22.2789 7.3831 2.2309 3.1017 5.9613 30.2271 15.8926 25.9985 48.2083 16.1072 35.4242 3.9100 1.2423 23.6055 45.5603 16.0444 188.5968 12.6493 11.3236 8.0621 6.0381 8.5886 6.5084 11.9545 8.8447 4.9088 8.6660 4.9436 33.9097 10.6169 11.9857 20.1735 11.3012 4.8781 84.5053 9.4694 9.4663 2.3291 44.3160 0.5660 16.0530 11.0775 1147.4962 22.3515 46.1413 17.0363 29.0206 9.0914 42.8412 27.4054 1.3167 20.7371 21.1239 17.5506 18.6504 3.3722 48.5675 10.5684 12.8540 18.9987 21.4731 21.8467 35.8824 11.0927 5.3534 17.3003 8.3721 10.4779 11.1802 12.0993 0.8207 0.1924 3.9131 2.3294 6.4298 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1.1171 1.4621 1.9984 2.9565 16.7191 11.5170 11.4750 8.5235 3.5330 13.4613 3.3151 8.4381 19.7217 17.0581 25.3898 0.5569 13.8855 18.4742 35.5995 22.3816 2.7263 14.6050 14.3400 20.3309 17.2396 4.8277 22.0247 37.8068 3.6391 7.5124 4.8483 0.8071 5.3403 3.3353 8.1209 6.2092 194.4460 18.4586 25.2871 52.9386 68.6114 119.4537 36.5648 110.2317 203.0552 89.9248 24.6179 38.4532 113.8683 87.9586 64.2425 17.7861 116.7756 81.7166 19.6955 100.9192 114.5882 135.6935 92.3928 53.1143 82.5669 70.5265 74.5029 50.4418 31.7158 34.5883 39.8849 131.3725 36.8372 46.2122 41.9947 27.1900 85.3420 43.0043 23.3313 195.8495 26.9152 45.6578 0.6552 0.7498 0.7499 0.7283 0.7394 0.7479 0.7422 0.6802 0.6716 0.6244 0.7478 0.7197 0.7499 0.7435 0.6789 0.7332 0.7287 0.7172 0.3775 0.7256 0.6783 0.2922 0.7385 0.6090 0.2673 0.3682 0.7500 0.5610 0.5272 0.3006 0.1450 0.6108 0.1045 0.1437 0.2604 0.6689 0.5036 0.3098 0.5804 0.7018 0.5560 0.1737 0.1713 0.6722 0.3128 0.1148 0.6694 0.4023 0.7318 0.7438 0.7091 0.6284 0.7448 0.6449 0.7307 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12.00000 1.00783 12.00000 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12678.8323 20863.8766 27598.4176 0.99958 -0.02852 0.00549 0.02854 0.99959 -0.00301 -0.00540 0.00317 0.99998 1 0.00683 0.00415 0.00314 0.14234 0.08650 0.06539 13.17 33.83 39.50 45.63 52.84 69.01 78.25 84.41 114.53 118.19 124.97 131.70 145.44 156.92 160.51 178.50 199.66 215.94 265.58 270.27 302.96 310.47 322.80 332.48 353.11 377.82 385.77 396.99 422.60 432.33 440.73 452.32 481.82 493.29 532.62 570.67 594.82 609.02 616.67 636.49 654.57 678.46 719.55 734.87 784.06 827.44 835.92 847.75 868.48 897.91 909.45 917.97 926.93 966.59 975.33 1008.57 1046.23 1092.03 1115.35 1122.65 1139.85 1159.71 1170.82 1183.73 1190.69 1208.44 1239.09 1255.71 1270.42 1286.30 1315.78 1339.23 1377.31 1388.11 1393.60 1399.16 1412.11 1418.73 1452.30 1456.38 1468.09 1492.85 1499.91 1505.74 1530.82 1533.11 1544.56 1553.97 1567.26 1576.43 1594.01 1599.62 1605.04 1610.60 1625.54 1633.62 1635.31 1640.78 1649.89 1669.24 1677.01 1688.02 1696.53 1707.58 1742.06 1753.19 1762.94 1793.66 1798.94 1819.21 1838.09 1848.23 1869.98 1880.33 1895.82 1898.73 1913.13 1933.38 1953.18 1957.80 1975.42 2002.06 2007.74 2024.45 2026.56 2050.13 2063.54 2085.97 2088.99 2093.08 2105.81 2108.24 2120.69 2136.58 2148.53 2161.34 2167.18 2186.41 2202.38 2218.66 2222.64 2235.52 2249.34 2255.08 2260.57 2262.09 2269.53 2289.49 2307.43 2309.90 2335.04 2335.82 2343.38 2347.65 2351.67 2353.36 2356.50 2358.44 2363.69 2364.33 2369.05 2371.40 2373.11 2381.52 2384.46 2387.96 2405.53 2407.97 2411.56 2510.43 2569.51 2577.09 2604.36 2608.11 2637.01 2708.27 4600.70 4614.35 4619.12 4619.80 4638.74 4646.28 4655.84 4661.14 4671.05 4673.09 4677.60 4702.12 4705.66 4713.08 4718.63 4727.12 4731.36 4733.03 4733.22 4747.93 4757.46 4757.98 4768.65 4797.09 4801.55 4822.89 4841.33 4842.65 4846.16 4847.14 4848.29 4858.94 4860.26 4875.22 4887.79 5144.37 5543.48 0.677793 0.709296 0.710240 0.611650 -1520.403979 -1520.372475 -1520.371531 -1520.470121 3.306725D-04 MUNgauss RevisionA2.0 retrievium 16-Feb-2020 DUDE CCC[C@@H](c1nnnn1Cc2ccccc2)[NH+](Cc3cc4cc(cc(c4[nH]c3=O)C)C)C5CCCC5 C13500068 RHF 6-31G(d) (6D,10F) C1 485.302885 |X|Y|Z| 73.594627 100.218687 43.666115 68.545633 30 6 7 24 6 |36.858105| |12.458374|36.858105| |7.530430|12.428509|36.858105| |4.843727|7.336544|12.351243|36.858105| |4.587569|6.837157|8.955103|17.603382|0.500000| |3.776403|4.864151|7.543851|12.636481|0.251652|36.858105| |3.200986|3.923889|5.509852|7.600569|0.162817|14.729134|53.358707| |2.771953|3.229124|4.313337|5.321090|0.127471|9.046176|19.419627|53.358707| |2.844040|3.279022|4.394701|5.284558|0.134460|8.887939|12.198440|20.761926|53.358707| |3.413533|4.105624|5.870319|7.541513|0.194943|14.254324|12.188730|12.440609|19.510740|53.358707| |3.406981|3.956911|5.199182|5.912124|0.177816|7.399824|7.255524|7.497664|10.762940|17.718689|36.858105| |2.964402|3.474052|4.165151|4.995621|0.165893|5.639202|5.953887|6.061738|7.849790|10.399742|12.579103|36.858105| |3.043607|3.542357|3.941193|4.497062|0.157725|4.466328|4.809831|4.694057|5.624351|7.168522|7.580705|13.735301|36.858105| |2.575713|2.950586|3.148328|3.585737|0.121815|3.540184|4.038390|3.969816|4.577392|5.408175|5.021479|7.907254|13.723636|36.858105| |2.239190|2.554714|2.766371|3.216193|0.105037|3.320261|3.941976|3.974085|4.543941|5.084270|4.436076|6.848531|7.941095|13.773507|36.858105| |2.206923|2.529208|2.841283|3.387302|0.107463|3.729677|4.506511|4.710610|5.505111|5.931235|5.018209|7.918219|6.883879|7.940093|13.715244|36.858105| |2.478371|2.869896|3.378454|4.114862|0.129472|4.853710|5.653930|6.072863|7.674617|8.515678|7.542239|13.681082|7.941054|6.868478|7.927794|13.774104|36.858105| |4.168958|6.119933|7.406102|12.580533|0.257473|7.608710|8.864357|6.159943|5.648712|6.920616|4.132079|3.831686|3.575155|3.078691|2.856548|2.985490|3.425988|53.358707| |4.645208|7.235681|7.220886|9.347649|0.225917|5.701764|6.663464|5.012938|4.737677|5.750284|3.678469|3.470849|3.393355|2.963909|2.702684|2.743695|3.069585|25.548674|0.500000| |3.262519|4.409852|4.940990|7.665510|0.213492|6.144411|7.575593|5.725785|5.311420|6.263857|3.875911|3.936052|3.697670|3.333778|3.193262|3.348721|3.711863|17.124425|0.263750|36.858105| |3.218963|4.313863|4.410783|6.110897|0.205678|4.780167|5.600969|4.610635|4.545724|5.442009|3.714099|4.041719|4.118864|3.859244|3.593327|3.548372|3.741625|10.240117|0.209852|12.636114|36.858105| |2.773063|3.515348|3.643145|4.808750|0.165088|4.197732|4.975095|4.343195|4.408589|5.175924|3.699692|4.374670|4.585079|4.623756|4.451010|4.269715|4.233247|7.024866|0.138770|7.599254|14.174798|36.858105| |2.544550|3.103157|3.067246|3.714938|0.124755|3.269200|3.928126|3.539269|3.641093|4.194547|3.141509|3.750283|4.219188|4.627988|4.388660|3.876950|3.624034|5.274044|0.109558|4.964794|7.813360|13.220501|36.858105| |2.196476|2.584416|2.592310|3.058908|0.099889|2.835086|3.472131|3.237796|3.369449|3.778941|2.890056|3.549166|4.016511|4.823204|4.929956|4.144649|3.597000|4.216887|0.085869|3.815759|5.118072|7.642735|13.562539|36.858105| |2.014979|2.310523|2.268931|2.575993|0.082378|2.385678|2.950072|2.775733|2.887854|3.201874|2.473536|2.958894|3.389249|4.086752|4.096039|3.401487|2.966236|3.543502|0.073392|3.063377|3.927222|5.089708|7.893630|13.909897|36.858105| |2.079726|2.370518|2.256595|2.503533|0.079597|2.259525|2.788240|2.593406|2.680682|2.990436|2.302138|2.664911|3.068610|3.525231|3.349927|2.846806|2.589009|3.483611|0.074073|2.938012|3.802582|4.547842|6.930386|8.009605|13.539029|36.858105| |2.352944|2.729196|2.528671|2.799714|0.089586|2.441148|2.985688|2.722339|2.792801|3.160031|2.405806|2.725640|3.130662|3.421079|3.143150|2.737114|2.580423|3.971258|0.086787|3.335778|4.517911|5.106291|7.833836|6.789263|7.775618|13.858654|36.858105| |2.658018|3.220349|3.010924|3.472833|0.114308|2.945253|3.548553|3.169354|3.236959|3.729974|2.797094|3.184774|3.624607|3.841593|3.498843|3.103055|2.983366|5.025559|0.110360|4.421063|6.775083|7.847052|13.702353|7.885847|6.815496|8.026215|13.557173|36.858105| |3.083673|3.869257|3.456310|3.946981|0.128097|3.165277|3.793923|3.295743|3.317275|3.865665|2.831177|3.077319|3.413468|3.391552|3.047708|2.804534|2.814725|5.997873|0.140773|5.088006|7.973627|6.994511|7.996623|5.190460|4.556889|5.212311|7.845386|13.744469|53.358707| |3.083698|3.755720|3.228110|3.508511|0.110227|2.829763|3.429131|2.997649|3.010700|3.474465|2.553785|2.720411|3.014518|2.985703|2.679896|2.469091|2.483713|5.300000|0.126917|4.223659|5.811967|5.120179|5.793491|4.253985|3.991692|4.785053|7.261707|9.202900|25.988711|0.500000| |3.481343|4.678553|4.249356|5.150955|0.165788|3.877946|4.600248|3.841785|3.798307|4.497512|3.164041|3.338607|3.548037|3.354736|3.037221|2.906254|3.026107|8.622564|0.215019|7.521732|13.029821|7.853983|6.723197|4.495363|3.761132|3.962754|5.150508|7.825694|19.207163|0.266528|36.858105| |3.937183|5.430738|4.611937|5.230551|0.154117|3.808896|4.589061|3.768768|3.666319|4.311114|2.975761|2.996618|3.119474|2.883358|2.614607|2.543244|2.698233|9.389842|0.277135|6.741500|8.094888|5.375788|4.699842|3.490668|3.048553|3.239686|4.080815|5.387612|11.566182|0.220030|15.607381|73.516695| |2.324933|2.630115|2.362681|2.521467|0.078648|2.183390|2.692106|2.452229|2.501026|2.812850|2.132654|2.339393|2.654624|2.811774|2.567552|2.280986|2.193932|3.597396|0.080262|2.890639|3.698430|3.835545|4.986326|4.413141|4.967425|7.562637|12.609080|7.497434|8.937028|0.209327|4.488239|6.889945|36.858105| |1.763345|1.979693|1.965894|2.200525|0.068962|2.094481|2.628009|2.523586|2.635154|2.861904|2.222974|2.652425|2.986944|3.662195|3.869001|3.219066|2.731615|2.994231|0.061327|2.536575|3.061575|3.799291|4.994278|7.554289|12.613556|7.540040|4.994177|4.425313|4.556610|0.084541|2.907561|4.372217|3.779881|36.858105| |3.639893|4.780692|5.669576|7.176319|0.152043|6.071026|8.818239|6.097664|5.198673|5.796573|3.394291|3.088653|2.839233|2.503721|2.385851|2.530363|2.874398|16.885699|0.257279|7.656956|5.006215|3.838284|3.054348|2.555969|2.203411|2.170308|2.430853|2.943685|4.663798|0.087606|4.525231|9.113086|2.255546|1.910019|36.858105| |4.047399|4.982527|5.971238|6.010439|0.126713|5.313259|7.725560|5.690039|4.904518|5.370363|3.196576|2.792933|2.576146|2.251352|2.125336|2.243380|2.561219|9.944768|0.183276|4.884422|3.737800|3.033092|2.536650|2.176595|1.921057|1.909217|2.123319|2.492214|3.911469|0.075786|3.588613|7.354252|2.014786|1.690969|12.450636|36.858105| |3.192302|3.672362|4.047499|4.120150|0.094574|3.865850|5.859295|4.689701|4.022271|4.200318|2.576065|2.316786|2.155696|1.934345|1.855728|1.956520|2.184365|6.828979|0.132052|3.944269|3.123111|2.607099|2.231616|1.946278|1.740224|1.734730|1.915632|2.206975|3.425893|0.067321|3.047647|6.203596|1.838317|1.548427|8.037699|12.451605|36.858105| |3.005432|3.526711|3.640972|3.838195|0.091913|3.437899|5.011102|4.056661|3.563381|3.776572|2.377402|2.211317|2.099096|1.916915|1.841849|1.917452|2.097864|6.897584|0.141662|4.224759|3.383922|2.767982|2.382339|2.051547|1.838128|1.850904|2.069384|2.394534|3.791607|0.075067|3.409869|7.155736|1.999844|1.620793|7.731409|7.921791|12.419465|36.858105| |3.168416|3.973949|4.158045|4.815459|0.115286|4.119335|5.878679|4.557042|4.005017|4.354441|2.708958|2.563652|2.432266|2.218252|2.130067|2.218534|2.430032|10.197897|0.205367|6.306515|4.614268|3.556580|2.938328|2.457083|2.152825|2.155624|2.439427|2.921182|4.720065|0.090756|4.521742|9.564937|2.306756|1.863576|12.272144|7.800150|7.775316|12.305468|36.858105| |17.553159|8.769004|6.832870|4.460269|0.111954|3.644913|4.357726|3.780630|3.809215|4.448192|3.161039|2.710209|2.708557|2.312948|2.052048|2.052600|2.312250|5.374733|0.119162|3.058021|2.914591|2.516618|2.292976|2.000067|1.836714|1.883958|2.110322|2.370650|3.710271|0.075633|3.094585|6.262274|2.086635|1.623649|3.677723|4.376814|3.469390|3.156937|3.195531|0.500000| |17.551601|8.764461|6.817734|4.531653|0.123059|3.708701|4.221700|3.759758|3.965881|4.791130|3.675031|3.144895|3.259328|2.712774|2.326720|2.283492|2.579734|5.056869|0.110585|3.013805|3.010783|2.674517|2.476259|2.172176|1.999437|2.048528|2.284104|2.553600|3.914485|0.079150|3.170270|6.099633|2.238897|1.764309|3.222227|3.513543|2.814880|2.628401|2.782168|0.301573|0.500000| |17.581164|8.807697|5.485397|4.015030|0.109178|3.186279|3.759348|3.292959|3.363469|3.958255|2.933181|2.647806|2.775551|2.414093|2.102174|2.044881|2.249373|4.993181|0.116270|2.987689|3.030998|2.629228|2.474016|2.139025|1.991957|2.090562|2.386183|2.650033|4.222805|0.088673|3.402958|6.922024|2.416721|1.741654|3.241802|3.523996|2.909408|2.830021|2.960264|0.302023|0.301887|0.500000| |8.898615|17.554413|8.763960|6.545765|0.164232|4.424404|5.127864|4.156317|4.087117|4.938660|3.387002|3.061155|3.098381|2.669308|2.363112|2.347201|2.620501|9.040315|0.245280|4.644058|4.445938|3.493109|3.077102|2.535103|2.272483|2.353789|2.745366|3.253242|5.519999|0.111330|5.076795|11.616481|2.682525|1.939589|5.414276|5.644018|4.175427|4.173181|4.724905|0.210945|0.173344|0.215170|0.500000| |8.851404|17.523763|8.832097|6.846329|0.208692|4.573387|4.941306|4.150485|4.303804|5.452643|4.061224|3.745546|4.019895|3.346458|2.815993|2.717263|3.039388|7.792345|0.190341|4.516114|4.823914|3.963197|3.567706|2.915594|2.602134|2.695717|3.156470|3.774158|6.251769|0.123031|5.430603|10.660673|3.020518|2.192123|4.233871|4.100904|3.168922|3.145446|3.641748|0.172860|0.210795|0.212955|0.304596|0.500000| |7.049176|8.921025|17.564306|9.025100|0.220491|7.133422|6.929492|5.864150|6.395687|8.889138|6.369873|4.704133|4.424326|3.390330|2.922886|2.999478|3.640483|7.507431|0.146940|4.179799|3.900063|3.410569|2.933543|2.539216|2.235496|2.205856|2.431422|2.846282|4.295282|0.081927|3.702488|6.830635|2.262290|1.958179|4.414260|4.615739|3.374161|3.035445|3.392134|0.173716|0.209827|0.142835|0.173687|0.211383|0.500000| |6.841927|8.795128|17.657432|8.765725|0.174526|6.882634|7.738331|6.028783|5.871324|7.259826|4.495122|3.574216|3.308491|2.717107|2.450735|2.553530|3.021302|8.886790|0.171827|4.381125|3.754374|3.143008|2.670627|2.298061|2.031332|2.018802|2.241195|2.623156|4.065922|0.078578|3.624510|7.126741|2.117231|1.784305|5.970040|7.430817|4.727307|3.960237|4.278430|0.203078|0.168101|0.140180|0.209503|0.173164|0.306992|0.500000| |4.086400|4.713283|6.231617|6.299299|0.192494|6.741201|6.503350|6.289353|8.081421|12.478837|17.646633|8.866652|7.329226|4.780178|3.983238|4.183296|5.578642|5.747724|0.107984|3.780071|3.705289|3.584398|3.107874|2.809688|2.440862|2.321262|2.463131|2.855279|4.012171|0.074687|3.289377|5.592307|2.214429|2.173164|3.409947|3.294897|2.615805|2.415347|2.732525|0.102566|0.126959|0.095483|0.106679|0.135543|0.239608|0.142064|0.500000| |3.049095|3.372611|4.288319|4.577683|0.131338|5.747802|6.331487|7.096854|10.595555|12.771431|17.638318|8.852049|5.984880|4.354593|4.003142|4.599573|6.657750|4.663168|0.085800|3.225924|3.078507|3.092298|2.700266|2.546651|2.223774|2.070509|2.137269|2.429270|3.324544|0.062069|2.683054|4.539874|1.916202|2.041847|2.963744|2.868554|2.369346|2.166506|2.410674|0.080248|0.092399|0.073606|0.081385|0.094476|0.144807|0.108823|0.303788|0.500000| |3.494988|4.025346|4.341560|4.631640|0.163549|4.324571|4.597553|4.389948|5.172106|6.700858|7.028675|8.901247|17.692827|8.927043|5.652182|4.955894|5.639808|4.904758|0.097631|3.560744|3.988503|4.206445|3.957122|3.649752|3.180556|3.000064|3.138989|3.601879|4.764710|0.087439|3.622574|5.780045|2.731052|2.777826|2.843498|2.633818|2.184263|2.123253|2.439599|0.084188|0.106658|0.088247|0.094706|0.130896|0.139897|0.098751|0.225717|0.155667|0.500000| |2.520878|2.843281|2.918638|3.220008|0.108342|3.076413|3.555110|3.456837|3.899315|4.553735|4.098543|5.636180|8.914755|17.727858|8.916645|5.643914|4.950507|3.851940|0.077546|3.039213|3.602945|4.270249|4.619632|4.921412|4.443456|3.908563|3.727728|4.013852|4.716234|0.085965|3.287437|5.023969|3.062707|3.979367|2.319026|2.102931|1.822390|1.822373|2.094605|0.062398|0.073825|0.066821|0.071790|0.090923|0.086642|0.070141|0.113814|0.100959|0.215844|0.500000| |2.023406|2.281154|2.421229|2.770621|0.088812|2.825632|3.437635|3.460402|3.861440|4.215558|3.548385|4.939821|5.646048|8.922470|17.722435|8.902001|5.642850|3.452140|0.067441|2.852257|3.234059|4.028431|4.212541|5.119559|4.458755|3.513431|3.158242|3.388917|3.922159|0.071048|2.799545|4.289201|2.567343|4.497618|2.156670|1.926976|1.708383|1.710432|1.965437|0.051728|0.058094|0.053421|0.059370|0.069654|0.070239|0.060288|0.090653|0.091137|0.124277|0.214856|0.500000| |1.981594|2.249164|2.511804|2.970039|0.091441|3.300002|4.159890|4.423523|5.021482|5.126239|4.092831|5.639682|4.958160|5.646640|8.899891|17.722687|8.939067|3.676415|0.068922|3.055176|3.176258|3.795947|3.485782|3.821677|3.195361|2.654816|2.519467|2.812331|3.457004|0.062604|2.623110|4.115784|2.114563|3.128404|2.354479|2.089565|1.854139|1.821623|2.092947|0.051750|0.056566|0.051300|0.058793|0.066288|0.072719|0.063901|0.096165|0.108110|0.107584|0.124077|0.214588|0.500000| |2.360668|2.712330|3.255539|3.962641|0.117869|5.015783|6.198881|7.190371|9.405805|9.071815|6.982813|8.886775|5.643807|4.949776|5.644086|8.936108|17.716273|4.552987|0.081823|3.583735|3.428364|3.748207|3.171540|3.125994|2.614974|2.308376|2.311069|2.657469|3.473879|0.063131|2.782283|4.498748|1.994737|2.434797|2.907775|2.606116|2.238553|2.121171|2.435789|0.062255|0.067838|0.059254|0.069493|0.077785|0.096570|0.083209|0.140388|0.186238|0.123925|0.107485|0.124190|0.216061|0.500000| |2.978795|3.875780|4.590878|7.247079|0.200490|7.095689|9.102420|6.897779|6.297921|7.274570|4.291479|4.413960|3.917248|3.515629|3.478509|3.820741|4.344318|12.287948|0.183665|17.652716|8.840079|7.169653|4.652085|3.785650|2.998967|2.786674|3.049975|3.922540|5.712328|0.098159|5.521488|8.740848|2.615234|2.537250|6.609552|4.487225|3.675259|3.749980|5.186834|0.078381|0.078378|0.075073|0.108840|0.109388|0.112969|0.115173|0.110576|0.098881|0.100894|0.086442|0.085088|0.097318|0.119431|0.500000| |2.934939|3.814449|4.108423|5.636293|0.150680|4.833957|6.497834|5.063690|4.580447|5.125577|3.206439|3.242437|3.072596|2.849764|2.780372|2.908811|3.142727|12.430156|0.218878|17.691487|8.983359|6.152172|4.414343|3.486528|2.869021|2.781700|3.155050|4.068508|6.413606|0.112088|6.681412|11.397856|2.788017|2.401835|7.759564|4.800678|4.166491|4.779933|7.777477|0.077872|0.074633|0.076056|0.115850|0.106363|0.097117|0.106225|0.086985|0.076658|0.082548|0.073403|0.070650|0.075669|0.085763|0.303304|0.500000| |2.566089|3.188161|3.451054|4.624031|0.153925|4.403128|5.317804|4.765547|4.863591|5.590521|3.943913|4.843960|4.779930|4.878160|5.068593|5.166655|5.041295|6.501297|0.121463|6.980744|9.065301|17.696096|8.807581|7.048694|4.684721|3.963473|4.152084|5.620381|6.823754|0.110312|5.583526|7.622267|3.217620|3.728376|3.700426|2.936254|2.538347|2.641073|3.344248|0.065609|0.069613|0.066837|0.086879|0.097112|0.091501|0.084125|0.101561|0.091895|0.115365|0.118858|0.125139|0.128565|0.124089|0.217425|0.158491|0.500000| |2.093403|2.451436|2.526850|3.018861|0.097571|2.904480|3.592342|3.410239|3.568786|3.942526|3.009880|3.796393|4.155069|5.119283|5.811984|4.954982|4.063754|4.107129|0.081474|3.741828|4.710782|7.042060|8.902447|17.719848|8.958878|5.660770|4.908802|5.634563|5.736400|0.097997|3.921357|5.582697|3.533291|6.951761|2.520355|2.144844|1.921016|2.002087|2.388892|0.053429|0.057862|0.056035|0.066386|0.075559|0.069340|0.062711|0.079195|0.074144|0.100630|0.137072|0.172396|0.129901|0.097657|0.107965|0.094671|0.214336|0.500000| |1.914550|2.139360|2.028089|2.208251|0.069128|2.010869|2.501931|2.345618|2.423787|2.677604|2.066217|2.360875|2.700629|3.086255|2.949942|2.524749|2.299941|3.060501|0.065114|2.526085|3.143312|3.618285|4.980496|5.692790|8.907927|17.701611|9.033019|5.688372|5.724654|0.112859|3.307900|5.001629|7.066751|7.066910|1.942915|1.734493|1.590510|1.693423|1.940419|0.048416|0.052562|0.053857|0.059042|0.066933|0.055341|0.050883|0.058034|0.052288|0.073983|0.095815|0.087027|0.066138|0.057490|0.066890|0.067147|0.090199|0.124546|0.500000| |2.276095|2.581634|2.312696|2.471334|0.075723|2.135201|2.664153|2.411084|2.429812|2.714363|2.022004|2.186246|2.424049|2.524729|2.341451|2.126809|2.064807|3.623713|0.081547|2.918056|3.672320|3.679274|4.554394|3.947660|4.260549|5.887298|8.810064|6.638584|8.915262|0.223143|4.583942|7.236548|17.530991|3.339090|2.307662|2.052877|1.895525|2.097005|2.419702|0.057313|0.060052|0.065930|0.074766|0.080913|0.060674|0.058166|0.058129|0.050572|0.068964|0.074657|0.064729|0.055244|0.052793|0.072412|0.080115|0.085794|0.090014|0.153540|0.500000| |2.568475|2.883812|2.521954|2.631403|0.082371|2.243572|2.736534|2.484151|2.546058|2.891106|2.210653|2.396940|2.751111|2.857374|2.543140|2.257034|2.202786|3.697276|0.083676|2.880409|3.654405|3.670562|4.551119|3.942912|4.254244|5.880470|8.804710|6.631452|8.906377|0.223766|4.563808|7.222522|17.526932|3.332920|2.299307|2.081302|1.881036|2.032443|2.328597|0.063144|0.068707|0.075271|0.081196|0.093715|0.067245|0.062294|0.064783|0.055048|0.080570|0.087126|0.069645|0.057535|0.055496|0.071958|0.076141|0.085589|0.089900|0.153356|0.300943|0.500000| |2.088541|2.313592|2.101501|2.223366|0.068689|1.963021|2.439366|2.248959|2.299898|2.559776|1.951931|2.143631|2.428428|2.607930|2.408893|2.131698|2.029805|3.136632|0.069019|2.503001|3.097271|3.262223|4.162896|3.970423|4.737362|7.286199|8.882544|5.555061|6.541862|0.146835|3.586620|5.648063|17.614320|3.832855|2.001498|1.808563|1.664726|1.798360|2.042845|0.052481|0.056398|0.060344|0.065087|0.072804|0.056484|0.052812|0.056072|0.049277|0.069099|0.079663|0.068004|0.055378|0.051419|0.064068|0.067380|0.078641|0.090359|0.226405|0.302955|0.302948|0.500000| |1.641789|1.832475|1.811682|2.015476|0.062250|1.919417|2.437593|2.338871|2.417480|2.601072|1.993476|2.326924|2.567637|3.038186|3.199869|2.770818|2.400147|2.782128|0.057176|2.350517|2.792366|3.364917|4.293627|5.894036|8.849130|6.715399|4.596254|3.978543|4.215605|0.079640|2.693498|4.108158|3.651772|17.556877|1.802176|1.599440|1.480913|1.560120|1.783039|0.042251|0.045382|0.045262|0.050345|0.055865|0.049811|0.046082|0.054230|0.051184|0.067074|0.090252|0.100856|0.075959|0.060534|0.064953|0.062947|0.091348|0.151651|0.192352|0.091884|0.087729|0.105520|0.500000| |1.739189|1.928433|1.904179|2.096338|0.065681|1.994393|2.489849|2.403015|2.529310|2.751965|2.170740|2.583023|2.962497|3.673998|3.782448|3.078295|2.622962|2.810960|0.057806|2.327640|2.780320|3.354012|4.286145|5.883374|8.843441|6.715867|4.590850|3.970998|4.207419|0.079533|2.684925|4.098940|3.647545|17.552609|1.795924|1.610740|1.472303|1.531254|1.743560|0.044365|0.048712|0.047892|0.052092|0.059490|0.053176|0.047985|0.059425|0.055777|0.077473|0.115281|0.123412|0.082292|0.064667|0.064550|0.060892|0.091018|0.151341|0.192660|0.087788|0.091569|0.105459|0.302302|0.500000| |1.723943|1.938147|1.958498|2.214069|0.069170|2.149127|2.711113|2.632149|2.758494|2.967459|2.303962|2.790450|3.087524|3.849755|4.332609|3.616991|2.963754|2.993067|0.060418|2.553140|3.019655|3.802332|4.717556|7.225843|8.843578|5.556146|4.140401|3.948503|4.194775|0.077070|2.774206|4.189054|3.207722|17.586827|1.916950|1.693048|1.549949|1.611170|1.853237|0.044315|0.048067|0.046888|0.052546|0.059131|0.054423|0.049539|0.061598|0.059057|0.077823|0.112354|0.146567|0.100064|0.073362|0.072439|0.066932|0.108574|0.220008|0.141214|0.080562|0.080429|0.088628|0.302062|0.301705|0.500000| |3.147319|3.968534|4.867177|6.419010|0.139981|6.496211|11.042933|7.294858|5.820229|6.177904|3.472779|3.166539|2.826068|2.503712|2.437948|2.649231|3.036156|12.402501|0.183058|7.325928|4.665149|3.770103|2.964010|2.532494|2.167257|2.097422|2.305043|2.773271|4.234112|0.078743|3.974027|7.502091|2.111870|1.899576|17.721746|8.930695|6.968145|6.305598|8.731744|0.088407|0.079915|0.078036|0.118165|0.100463|0.112070|0.142372|0.093487|0.085068|0.076861|0.063590|0.061108|0.069252|0.087492|0.204107|0.208235|0.105515|0.070764|0.052201|0.059713|0.059180|0.052532|0.049788|0.049421|0.053563|0.500000| |3.999243|4.744995|6.268670|6.102827|0.125982|6.037661|9.199312|6.730569|5.673792|6.098027|3.504477|2.946624|2.654640|2.286614|2.162374|2.312607|2.692216|8.555612|0.150946|4.406294|3.432239|2.878589|2.411933|2.101694|1.854456|1.825851|2.004729|2.335589|3.581238|0.069056|3.211138|6.324816|1.890796|1.647434|8.704391|17.631857|8.696316|5.639130|5.601992|0.121998|0.099771|0.094268|0.137683|0.108508|0.140292|0.237973|0.099704|0.088437|0.075198|0.058781|0.054081|0.059757|0.077224|0.119148|0.115953|0.079036|0.058151|0.046195|0.052954|0.054297|0.047493|0.043116|0.043778|0.046110|0.220192|0.500000| |4.972345|6.151466|6.702642|5.884048|0.127437|4.759966|6.350778|4.898272|4.435269|4.995445|3.109804|2.722133|2.574533|2.244400|2.084079|2.160915|2.448043|9.288287|0.195088|4.512220|3.682350|2.967294|2.532800|2.159195|1.924027|1.938518|2.179875|2.546894|4.075524|0.080346|3.725474|7.954559|2.098710|1.685707|8.773419|17.547915|8.883989|7.003708|6.763636|0.153586|0.113630|0.119237|0.208590|0.132036|0.137989|0.235883|0.091887|0.077297|0.074672|0.058926|0.052591|0.055509|0.068015|0.111477|0.121151|0.078082|0.058370|0.049044|0.059411|0.061017|0.052138|0.044265|0.044857|0.046503|0.174609|0.299567|0.500000| |2.797571|3.189232|3.612738|3.814047|0.088422|3.816527|6.135526|5.008108|4.161917|4.197934|2.536260|2.285597|2.095967|1.889606|1.837370|1.962219|2.194226|6.155408|0.114238|3.765973|2.950451|2.518433|2.147015|1.896074|1.690864|1.667993|1.820167|2.089868|3.179644|0.061954|2.795238|5.499025|1.731817|1.516744|7.046829|8.839689|17.545867|8.770858|6.558126|0.083502|0.070306|0.070825|0.097164|0.078241|0.086308|0.115480|0.070136|0.065472|0.058239|0.049135|0.047039|0.052131|0.063401|0.101532|0.111283|0.069465|0.052562|0.042524|0.049458|0.048842|0.043818|0.040346|0.039968|0.042467|0.201396|0.215586|0.174297|0.500000| |3.151521|3.450550|3.700971|3.563740|0.083454|3.356674|4.971667|4.151011|3.638839|3.780477|2.371180|2.122795|1.990756|1.789823|1.711064|1.793402|1.993927|5.555699|0.110952|3.275689|2.713060|2.306603|2.015418|1.775218|1.605885|1.609558|1.772043|2.011736|3.107822|0.061884|2.700069|5.493383|1.720095|1.438601|5.688351|8.724028|17.596771|8.672350|5.619079|0.097938|0.077091|0.080443|0.108137|0.082100|0.087587|0.122004|0.067543|0.061393|0.056478|0.047147|0.043929|0.047263|0.056653|0.085393|0.094512|0.062287|0.048574|0.041304|0.049215|0.049146|0.043540|0.038301|0.038226|0.039907|0.140531|0.200385|0.216591|0.302715|0.500000| |2.568121|2.943490|3.039040|3.233942|0.079408|3.000286|4.442673|3.714435|3.257523|3.382961|2.146678|2.020944|1.917885|1.774048|1.723994|1.798849|1.947681|5.607898|0.113551|3.699301|3.025881|2.543801|2.215312|1.934817|1.744171|1.751645|1.940017|2.217974|3.449540|0.068447|3.022915|6.147589|1.877633|1.551287|5.804116|5.690143|8.695407|17.604501|8.678104|0.074563|0.063529|0.067928|0.094084|0.074595|0.072486|0.090670|0.059962|0.054907|0.053469|0.046932|0.044821|0.047963|0.054990|0.093635|0.118684|0.068114|0.052690|0.044753|0.054954|0.052513|0.047267|0.041763|0.040619|0.042924|0.147163|0.125364|0.140235|0.218517|0.194377|0.500000| |3.161553|3.635440|3.553370|3.575683|0.087248|3.113355|4.375483|3.609346|3.251323|3.487295|2.249019|2.096800|2.022968|1.851791|1.762555|1.811686|1.969346|6.214268|0.136030|3.788507|3.202173|2.623927|2.308290|1.984760|1.798956|1.835887|2.069938|2.371678|3.808760|0.077064|3.377857|7.324594|2.036543|1.583762|6.095652|6.673052|8.821501|17.572626|8.773909|0.092831|0.075425|0.084443|0.123350|0.089545|0.082334|0.106677|0.064416|0.057026|0.057510|0.049394|0.045630|0.047638|0.054766|0.092140|0.116087|0.068512|0.053261|0.046891|0.059651|0.057986|0.050826|0.042427|0.041766|0.043412|0.136036|0.136487|0.192506|0.174391|0.219752|0.303576|0.500000| 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