Version2.0 2019-11-23T11:49:00Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 11-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)c3c([nH]2)[C@H](N4[C@@H](C3)C(=O)N(CC4=O)CC[NH+]5CCOCC5)c6cccc(c6)[N+](=O)[O-] C02120717 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)c3c([nH]2)[C@H](N4[C@@H](C3)C(=O)N(CC4=O)CC[NH+]5CCOCC5)c6cccc(c6)[N+](=O)[O-] C01[X(C26H28N5O5)] 186 C1 596 O=C1CN(CC[NH+]2CCOCC2)C(=O)[C@H]2N1[C@H](c1cccc(c1)[N+](=O)[O-])c1c(C2)c2c([nH]1)cccc2 O=C1CN(CC[NH+]2CCOCC2)C(=O)[C@H]2N1[C@H](c1cccc(c1)[N+](=O)[O-])c1c(C2)c2c([nH]1)cccc2 [O-][N+](=O)c1cccc(c1)[C@H]2N3[C@@H](Cc4c2[nH]c5ccccc45)C(=O)N(CC[NH+]6CCOCC6)CC3=O InChIKey=GSTDEDRWMOUOQO-WIOPSUGQSA-O InChI=1S/C26H27N5O5/c32-23-16-29(9-8-28-10-12-36-13-11-28)26(33)22-15-20-19-6-1-2-7-21(19)27-24(20)25(30(22)23)17-4-3-5-18(14-17)31(34)35/h1-7,14,22,25,27H,8-13,15-16H2/p+1/t22-,25+/m0/s1 InChI=1/C26H27N5O5/c32-23-16-29(9-8-28-10-12-36-13-11-28)26(33)22-15-20-19-6-1-2-7-21(19)27-24(20)25(30(22)23)17-4-3-5-18(14-17)31(34)35/h1-7,14,22,25,27H,8-13,15-16H2/p+1/t22-,25+/m0/s1/fC26H28N5O5/h28H/q+1 c1ccc2c(c1)c3c([nH]2)[C@H](N4[C@@H](C3)C(=O)N(CC4=O)CC[NH+]5CCOCC5)c6cccc(c6)[N+](=O)[O-] C01[X(C26H28N5O5)] 186 C01 596 O=C1CN(CC[NH+]2CCOCC2)C(=O)[C@H]2N1[C@H](c1cccc(c1)[N+](=O)[O-])c1c(C2)c2c([nH]1)cccc2 ON(c1cccc(c1)[C@H]1N2C(=O)CN([C@@H]([C@@H]2Cc2c1[nH]c1c2cccc1)O)CC[NH]1CCOCC1)O O[C@@H]1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](N2C(=O)CN1CC[NH]5CCOCC5)c6cccc(c6)N(O)O InChIKey=OOBKMCWHNCMXML-HDYLNDSGSA-N InChI=1S/C26H32N5O5/c32-23-16-29(9-8-28-10-12-36-13-11-28)26(33)22-15-20-19-6-1-2-7-21(19)27-24(20)25(30(22)23)17-4-3-5-18(14-17)31(34)35/h1-7,14,22,25-28,33-35H,8-13,15-16H2/t22-,25+,26+/m0/s1 InChI=1/C26H32N5O5/c32-23-16-29(9-8-28-10-12-36-13-11-28)26(33)22-15-20-19-6-1-2-7-21(19)27-24(20)25(30(22)23)17-4-3-5-18(14-17)31(34)35/h1-7,14,22,25-28,33-35H,8-13,15-16H2/t22-,25+,26+/m0/s1 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1.4558 1.6084 1.5611 1.5181 1.3301 1.7763 1.7776 1.3697 1.3404 1.3543 1.4454 2.7591 1.2825 2.8734 2.4348 1.1061 1.1379 2.8112 1.1323 1.1328 1.5203 2.7862 1.1312 1.1181 2.8798 1.1492 2.7323 1.1544 2.1829 6.2935 5.5864 6.8577 6.0526 5.9128 7.7977 11.6899 11.5538 1.0725 1.0721 1.0724 1.0675 1.0886 1.0618 1.0628 1.0891 1.0617 1.0626 1.0856 1.1011 1.1026 1.0978 1.0982 1.1097 1.1106 1.1100 1.0886 1.0899 1.0952 1.0901 1.0980 1.0954 1.0935 1.0951 1.0827 1.0814 0.0003 0.0011 0.0015 0.0042 0.0064 0.0058 0.0087 0.0063 0.0103 0.0182 0.0196 0.0615 0.0549 0.0720 0.0851 0.1189 0.0946 0.0796 0.1188 0.1364 0.1453 0.0955 0.1960 0.2170 0.2114 0.2293 0.3627 0.1944 0.3202 0.2285 0.1406 0.5373 0.8609 0.3414 0.5322 0.4573 0.4438 0.5605 0.8903 0.8520 0.4670 0.5066 0.7336 1.3638 1.0918 1.2113 0.8245 1.0361 0.5277 1.3514 1.4762 1.3384 1.5156 1.4351 1.1809 1.6657 1.5898 1.4230 1.2827 0.9217 0.9171 1.2809 2.7658 1.8798 1.2421 1.0994 1.0864 1.4323 2.3488 1.6118 0.7904 1.2645 2.6814 1.7532 1.9547 1.5740 0.9025 1.0283 4.0659 1.2112 1.2570 2.2273 1.7363 1.5305 0.9577 1.5752 2.1491 1.0365 2.1000 2.9611 1.3071 2.3545 1.4360 2.2744 2.2908 2.3729 1.5091 2.0153 2.0056 2.1727 2.1117 2.7678 2.2714 1.3678 1.7429 1.6885 1.6122 2.7524 1.8735 2.5756 1.4782 2.1779 1.5872 2.5263 1.7626 1.4782 1.8619 1.7551 1.5442 1.7153 1.8504 1.8873 2.1204 2.0613 2.0273 1.8115 2.4553 2.4667 1.9205 1.9019 1.9746 2.1481 4.1652 1.9718 4.4417 3.7708 1.7236 1.7779 4.4101 1.7880 1.7982 2.4147 4.4324 1.8079 1.7963 4.6819 1.8715 4.4793 1.9020 3.6626 11.5247 10.4574 13.1184 11.6020 11.6414 15.9372 24.2006 25.8250 6.3636 6.4835 6.5204 6.5915 6.8043 6.6766 6.6852 6.8631 6.7007 6.7344 6.9880 7.1065 7.1778 7.1498 7.1640 7.2494 7.2753 7.3221 7.2280 7.2850 7.3733 7.3603 7.4511 7.4654 7.5507 7.6383 7.5817 9.7045 0.9441 2.2745 1.0981 0.4711 0.4031 0.3881 0.1613 4.6342 0.2854 4.1604 11.7726 0.4538 0.0799 5.8026 3.7337 0.4771 7.7230 13.6524 0.7053 0.9896 2.6363 1.0109 0.8946 9.8004 4.9849 0.7811 0.7884 29.5798 2.7435 13.0637 81.2689 19.7130 6.6181 11.8389 32.5509 0.4535 4.9741 14.9686 8.7720 5.4383 0.1311 4.8791 16.1529 0.7092 17.8263 1.7549 4.1090 5.0757 10.8468 9.0104 8.5801 6.5661 4.7119 18.9617 8.5172 34.9320 10.5340 30.5618 40.7563 35.4341 27.8500 8.0444 13.8434 27.2173 3.4579 7.4192 3.3642 15.8179 5.1360 9.4957 0.5643 8.0464 3.4418 22.2564 10.3971 1.0456 0.8148 5.0509 0.5511 33.2922 6.6501 1.3074 39.4000 23.8071 0.1797 2.3520 28.6153 0.2562 0.6340 13.1147 2.5939 20.5431 5.4371 22.4472 5.0037 7.7350 24.4670 10.8482 37.6555 10.8034 9.6354 121.7727 41.9257 10.9726 42.6020 36.7170 26.8343 18.3908 32.1621 28.6597 18.4059 11.9832 6.4234 42.4679 1.7830 44.9633 3.8361 3.6386 19.1256 57.4703 16.2851 20.8587 35.4904 82.2555 66.0848 28.0753 11.3164 17.0357 26.4189 16.6262 52.3202 8.0084 55.6102 50.9732 211.8549 91.2376 3.2314 10.2694 76.6976 72.7368 42.7788 46.2144 292.5989 72.4530 38.8633 21.8506 14.2798 3.9742 90.7611 99.0137 10.6238 54.8356 2.8813 75.4384 10.9160 368.6207 365.4797 439.6767 47.0151 10.9703 35.9240 12.4788 4.1318 1.7078 3.7416 13.3530 8.5775 19.3899 4.3947 2.9041 6.1732 10.8851 7.9890 1.9431 24.4804 11.8050 8.8197 0.6785 26.8584 4.9133 26.0673 5.4129 4.7621 2.9788 686.3574 100.9972 1.5296 0.8166 0.1707 2.7183 4.7020 2.3278 2.2350 0.5857 6.7706 1.0716 0.1846 1.1710 0.9512 1.4969 0.8103 1.3523 2.0387 1.6884 1.8452 3.3718 2.5630 1.0886 0.7409 0.8920 0.3726 1.8836 2.5540 0.5082 0.6179 0.1202 1.0350 1.1655 1.9763 0.8252 0.7025 0.4152 0.1805 1.7975 1.5868 2.0628 2.2903 0.6108 1.1260 1.3363 0.7697 1.7833 0.3311 4.1143 2.9705 3.1085 1.5924 3.2135 10.6164 4.4485 1.2548 3.0335 4.5063 0.9245 6.2106 1.3473 1.2266 4.3071 3.8466 10.0319 7.7852 2.6045 2.3249 4.8867 20.9201 1.8086 1.8860 0.1930 6.1540 1.4079 0.5065 1.8962 0.0353 1.0494 34.6809 3.9549 1.3278 10.0601 9.1643 1.4419 0.4877 9.5960 1.9418 0.3021 2.2372 1.7578 0.2263 5.5341 2.4864 3.0659 21.1725 4.4225 3.0037 2.8657 11.4662 18.0020 1.5651 3.4779 7.4631 4.6142 6.9939 1.7432 5.5463 3.9698 13.2171 24.2347 13.2501 15.8132 16.6051 77.8320 1.6950 1.6681 11.4365 6.4126 17.0158 13.4556 19.7482 12.4150 14.3946 1.6691 3.2934 4.2982 4.2444 13.0927 0.6221 1.2962 2.2343 4.3873 6.7445 7.2524 40.5514 20.1990 7.9956 3.6463 28.7805 6.5353 24.6422 24.6819 55.6616 5.0259 14.3613 23.2412 1.3831 0.8964 2.4777 4.1810 113.3042 42.6413 119.9389 27.0822 16.3198 7.1213 1.0791 11.3604 94.8521 14.1248 116.8433 78.7398 42.5966 33.4226 10.0491 55.5417 36.4102 179.6018 48.0506 35.6340 50.5455 94.9625 156.0836 38.2743 61.7482 40.9848 39.3341 91.2740 84.2809 58.1470 302.4723 98.8105 27.9379 97.9964 81.8287 68.9160 0.7488 0.7424 0.7497 0.7423 0.7492 0.7458 0.7479 0.7171 0.7460 0.7329 0.3662 0.5666 0.5406 0.7498 0.7136 0.4878 0.7124 0.6497 0.4652 0.7368 0.1290 0.1559 0.2319 0.7325 0.5614 0.7441 0.3764 0.4270 0.2922 0.6834 0.6432 0.5569 0.4869 0.2443 0.2226 0.1360 0.7002 0.2494 0.2650 0.5975 0.7500 0.3324 0.1614 0.3302 0.7409 0.7318 0.7043 0.6007 0.2647 0.4488 0.4002 0.5782 0.2736 0.2321 0.5051 0.2668 0.2650 0.5484 0.1450 0.6339 0.6292 0.4185 0.4811 0.0879 0.3004 0.3664 0.4968 0.7316 0.0146 0.5845 0.6982 0.6824 0.5958 0.5351 0.7432 0.7389 0.4263 0.3657 0.1161 0.7030 0.2764 0.3219 0.6265 0.3238 0.7040 0.1335 0.7487 0.5725 0.2184 0.1887 0.6643 0.7031 0.3620 0.5315 0.2917 0.6074 0.6613 0.2564 0.3255 0.2695 0.5129 0.5399 0.2115 0.7274 0.3127 0.7337 0.7484 0.2540 0.3482 0.2022 0.7158 0.1437 0.2531 0.2257 0.4159 0.7441 0.4341 0.7143 0.7158 0.7366 0.5002 0.4810 0.2676 0.3621 0.3546 0.6909 0.6453 0.5564 0.6407 0.2710 0.5541 0.5033 0.7355 0.5203 0.5358 0.4733 0.7498 0.7189 0.3839 0.7409 0.7495 0.4787 0.1441 0.5625 0.6580 0.1949 0.4630 0.5615 0.0138 0.5250 0.4317 0.4703 0.2065 0.7365 0.6952 0.0830 0.6650 0.3360 0.2101 0.3624 0.1251 0.1398 0.7427 0.1349 0.7079 0.1006 0.3007 0.0587 0.0916 0.5063 0.4839 0.4395 0.2667 0.7046 0.6433 0.7352 0.6287 0.6178 0.7472 0.7473 0.1357 0.1603 0.1959 0.2382 0.2919 0.2179 0.8563 0.8521 0.8569 0.8521 0.8566 0.8544 0.8558 0.8353 0.8545 0.8459 0.5361 0.7234 0.7018 0.8570 0.8329 0.6557 0.8320 0.7876 0.6350 0.8484 0.2286 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0.8290 0.1828 0.4624 0.1108 0.1678 0.6723 0.6522 0.6107 0.4211 0.8267 0.7830 0.8474 0.7721 0.7638 0.8553 0.8554 0.2390 0.2763 0.3276 0.3848 0.4519 0.3578 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 6 6 6 6 6 6 6 6 7 1 6 1 7 6 1 6 6 8 7 6 6 8 6 6 7 1 6 6 8 6 6 6 6 6 6 6 6 7 8 8 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 1.00783 12.00000 1.00783 14.00307 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 15.99491 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 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 1.00783 15769.4261 24930.3227 35152.1218 0.99962 -0.02736 0.00212 0.02737 0.99962 -0.00397 -0.00201 0.00403 0.99999 1 0.00549 0.00347 0.00246 0.11445 0.07239 0.05134 12.76 25.99 37.13 47.57 56.82 57.21 68.29 75.04 91.97 113.00 132.26 182.93 197.74 212.73 240.61 257.83 268.14 282.29 305.56 322.23 372.39 377.63 396.95 446.48 450.59 463.85 503.80 504.82 521.50 561.72 582.58 635.11 638.78 658.74 671.58 684.36 694.57 698.50 721.90 756.55 760.31 789.70 809.72 833.54 865.60 897.66 909.26 924.11 928.71 947.42 1002.99 1028.83 1056.78 1069.99 1078.52 1114.90 1136.65 1191.68 1202.06 1215.91 1218.27 1228.73 1248.58 1256.04 1311.72 1318.05 1329.00 1349.35 1357.70 1370.68 1388.64 1418.32 1434.12 1447.65 1485.26 1501.09 1533.83 1550.76 1570.10 1574.47 1576.25 1587.03 1591.04 1596.13 1600.81 1606.73 1630.69 1636.45 1641.16 1666.19 1678.90 1722.26 1734.58 1745.04 1747.70 1763.82 1778.83 1780.77 1795.24 1821.34 1850.12 1876.69 1884.80 1898.04 1904.85 1916.41 1920.65 1942.34 1946.76 1948.11 1999.07 2006.40 2013.29 2018.66 2037.28 2042.37 2076.32 2081.95 2100.00 2110.79 2122.41 2134.27 2152.17 2153.86 2166.12 2187.45 2203.75 2208.02 2219.57 2232.79 2263.30 2285.09 2303.06 2324.25 2330.47 2332.69 2339.81 2342.99 2347.74 2355.43 2361.64 2362.30 2364.17 2369.61 2375.85 2390.01 2391.97 2400.00 2405.99 2428.00 2536.51 2564.58 2592.51 2595.16 2630.11 2679.72 2696.97 2802.37 4565.90 4609.47 4622.05 4657.87 4686.28 4700.32 4701.02 4705.32 4708.89 4718.81 4755.53 4762.00 4782.47 4783.61 4787.48 4790.88 4797.50 4814.25 4829.91 4846.13 4863.45 4870.54 4882.93 4893.36 4925.53 4950.39 4960.20 5615.17 0.569714 0.597766 0.598711 0.506304 -1646.584945 -1646.556893 -1646.555949 -1646.648355 3.099312D-04 MUNgauss RevisionA1.9 retrievium 23-Nov-2019 DUDE c1ccc2c(c1)c3c([nH]2)[C@H](N4[C@@H](C3)C(=O)N(CC4=O)CC[NH+]5CCOCC5)c6cccc(c6)[N+](=O)[O-] C02120717 RHF 6-31G(d) (6D,10F) C1 490.209001 |X|Y|Z| 109.631147 83.876270 40.988935 72.234815 31 6 7 8 26 4 1 |36.858105| |13.567478|36.858105| |7.860580|13.856295|36.858105| |6.932646|8.054261|13.673329|36.858105| |7.978848|6.877633|7.796271|13.616743|36.858105| |13.863808|7.883728|6.742706|7.889067|13.621002|36.858105| |5.013978|4.555635|5.269849|8.369354|13.188974|7.270946|36.858105| |4.174365|4.189378|5.296869|8.541179|8.489378|5.251061|14.129074|36.858105| |4.641586|5.157481|7.590698|13.846692|8.492391|5.350410|8.545496|13.909807|53.358707| |3.935541|4.545978|6.659463|9.013139|5.949653|4.267419|5.987302|9.029386|26.089494|0.500000| |3.144405|3.162469|3.818291|5.184662|5.135107|3.762054|7.501961|12.691521|10.236289|0.187683|36.858105| |2.920412|2.996958|3.637047|4.729839|4.467035|3.386012|5.874469|8.994859|9.265641|0.187836|17.647710|0.500000| |2.913952|2.805560|3.199881|4.168310|4.572967|3.564030|6.919759|7.968256|7.013109|0.126714|12.938866|0.258651|53.358707| |3.116955|2.878839|3.168613|4.109058|4.929305|3.962800|7.744019|6.920301|6.316470|0.110028|7.681352|0.158834|17.850032|36.858105| |3.044906|2.842808|3.140111|4.026320|4.689638|3.800583|6.878178|6.499789|6.217578|0.109626|7.174942|0.144346|12.595099|17.591287|0.500000| |4.019422|3.517132|3.779964|5.081476|7.137917|5.618718|12.711561|7.611760|7.078455|0.116022|6.253802|0.138244|10.498160|12.365528|0.247213|36.858105| |2.635735|2.411995|2.570281|3.146539|3.709638|3.246596|5.009469|4.495957|4.634456|0.084022|4.984338|0.116739|10.415025|12.621279|0.256061|7.598603|36.858105| |2.556652|2.307236|2.406153|2.878363|3.419569|3.126192|4.342623|3.795239|4.100578|0.074617|3.977348|0.094359|7.224358|8.109612|0.210356|6.352778|15.629158|73.516695| |2.334840|2.168231|2.312593|2.774135|3.159882|2.797631|4.083590|3.862419|4.120601|0.076650|4.463658|0.112269|9.265465|7.732571|0.166612|5.504191|14.254233|15.169859|53.358707| |2.306186|2.185048|2.371277|2.852298|3.148233|2.727763|4.061690|4.077824|4.357702|0.082372|4.990140|0.134532|10.566052|6.610403|0.141759|4.983397|7.756217|9.475111|17.778984|36.858105| |2.536959|2.455100|2.755237|3.421147|3.667901|3.012118|4.963985|5.495949|5.559086|0.105322|7.841455|0.218127|19.262221|7.697995|0.163780|5.556532|6.606911|8.261730|10.281899|12.560233|36.858105| |2.368159|2.344336|2.657974|3.226949|3.301829|2.733018|4.202156|4.886482|5.323386|0.105398|6.907150|0.234182|11.506643|5.314162|0.124255|4.316461|4.673235|6.400201|7.221524|8.190131|15.909388|73.516695| |2.028346|1.883746|1.977257|2.302280|2.587721|2.373707|3.154860|2.987118|3.349523|0.063310|3.345913|0.086505|6.126884|5.005109|0.121219|4.029576|7.895939|12.519273|17.771157|7.627951|4.974932|7.111164|36.858105| |2.012624|1.839815|1.892296|2.171669|2.476675|2.348881|2.920536|2.674757|3.066548|0.057660|2.841942|0.073933|4.942442|4.155182|0.101524|3.741311|6.027435|11.017867|10.241641|5.352626|3.869063|5.760107|12.419715|36.858105| |2.056136|1.855958|1.884843|2.150059|2.482856|2.404264|2.880081|2.580090|2.983826|0.055761|2.664967|0.068012|4.494245|3.992350|0.101968|3.722011|5.672849|12.481164|7.835216|4.130911|3.299121|4.939284|7.509860|12.707337|53.358707| |2.240905|2.012115|2.051826|2.371336|2.776958|2.663448|3.288563|2.901223|3.297765|0.061028|2.986210|0.074566|5.118531|4.834188|0.124166|4.423782|7.345496|19.284613|8.931263|4.422843|3.615249|5.278841|7.535589|9.440335|25.390879|0.500000| |1.811197|1.655394|1.682050|1.892860|2.138735|2.075014|2.437637|2.238911|2.637483|0.049931|2.336301|0.059973|3.819857|3.285089|0.087892|3.005916|4.382983|9.509319|6.058295|3.393134|2.803930|4.311134|5.906043|7.615069|17.290287|0.257870|36.858105| |1.804829|1.639395|1.647569|1.835511|2.078535|2.053363|2.318665|2.110491|2.521468|0.047669|2.154243|0.054960|3.418081|2.973182|0.081935|2.813488|3.732148|8.339199|4.824810|2.805415|2.437197|3.786443|4.185399|4.974791|10.499454|0.197410|12.514995|36.858105| |1.824513|1.640663|1.627562|1.797349|2.048383|2.066295|2.241295|2.014124|2.431353|0.045847|2.015271|0.051759|3.159961|2.731044|0.074157|2.700750|3.318646|7.180325|4.301338|2.576819|2.257144|3.537677|3.608323|4.508594|9.181620|0.166440|7.963765|13.673794|73.516695| |2.061798|1.824079|1.797521|1.998033|2.324095|2.371083|2.544590|2.231687|2.674129|0.049885|2.195392|0.056141|3.471997|3.062945|0.081419|3.142966|3.729813|8.131595|4.736815|2.814934|2.461194|3.816420|3.829545|4.982175|10.492519|0.196285|6.726868|8.212703|24.319406|36.858105| |2.093113|1.861808|1.855732|2.087710|2.432327|2.433052|2.727730|2.398297|2.828934|0.052720|2.395538|0.061688|3.906227|3.421849|0.087376|3.455972|4.389125|9.213152|5.887739|3.415656|2.846684|4.362980|4.979708|7.652554|17.307657|0.256291|7.745358|6.724439|14.136863|12.511378|36.858105| |2.758673|2.818632|3.370456|4.278386|4.094260|3.179826|5.290630|7.442254|7.990647|0.161400|12.464204|0.248636|10.479143|5.933241|0.184672|4.686896|4.299734|6.471115|5.219775|4.056736|5.601132|9.238780|3.039414|2.562009|3.338791|0.076309|2.226022|2.079479|3.409771|2.044752|2.183765|36.858105| |2.874090|2.956566|3.527561|4.384880|4.142937|3.269604|5.008777|6.456326|7.748040|0.154987|7.425861|0.159495|7.430578|5.075424|0.172151|4.340149|3.804871|6.099289|4.465604|3.285973|4.127017|6.756470|2.699356|2.341618|3.150979|0.072412|2.129785|2.041195|3.353942|2.003179|2.086719|13.723922|36.858105| |2.448325|2.529733|2.935132|3.419397|3.234106|2.700671|3.691966|4.393783|5.627616|0.116930|4.962382|0.118201|5.564628|3.898089|0.130007|3.367981|3.195352|5.299908|3.849955|2.805037|3.353916|5.630861|2.424978|2.112820|2.865171|0.065132|1.987371|1.922726|3.139929|1.842562|1.896314|7.883828|13.709366|36.858105| |2.115110|2.181278|2.500314|2.861771|2.723664|2.315209|3.114216|3.676243|4.678353|0.099094|4.401463|0.111048|5.156603|3.479240|0.111594|2.935880|2.987694|4.916573|3.740265|2.772857|3.286901|5.671106|2.396623|2.058665|2.752002|0.061774|1.933876|1.849663|2.999720|1.740327|1.804948|6.802206|7.926900|13.804935|36.858105| |2.072701|2.128993|2.449079|2.841435|2.719152|2.289028|3.192766|3.854931|4.751985|0.101167|5.047041|0.132270|5.952891|3.742643|0.115568|3.049423|3.223986|5.124175|4.166348|3.202840|3.920849|6.948439|2.632532|2.208694|2.880998|0.064311|2.009077|1.881563|3.044751|1.770733|1.870372|7.974014|6.963240|8.032846|13.753875|36.858105| |2.304674|2.357667|2.752993|3.311314|3.180045|2.595185|3.908905|4.990815|5.800077|0.122257|7.611566|0.198566|8.356118|4.707673|0.140873|3.691862|3.832178|5.807912|4.961147|3.969054|5.324312|9.465084|2.986364|2.467916|3.163354|0.071054|2.151532|1.987441|3.231342|1.907006|2.047077|13.693312|7.957716|6.865213|7.866241|13.822312|36.858105| |1.798233|1.843256|2.085751|2.362654|2.275525|1.962919|2.618144|3.054114|3.829851|0.081726|3.854676|0.106315|4.846380|3.081791|0.091946|2.555400|2.805615|4.507680|3.769332|2.930375|3.430501|6.282974|2.467871|2.071380|2.675946|0.058733|1.895966|1.765083|2.851441|1.639509|1.736144|5.121771|4.539724|5.138374|7.771425|13.042678|7.801234|53.358707| |1.668063|1.713263|1.920669|2.136607|2.055136|1.800795|2.313907|2.643820|3.387735|0.072308|3.178185|0.086998|4.023892|2.657508|0.079797|2.258876|2.457468|4.045055|3.281549|2.500546|2.837717|5.146044|2.197489|1.877444|2.455934|0.053655|1.763126|1.660910|2.686213|1.532607|1.605118|4.089528|3.914755|4.688155|7.092178|8.387268|5.439359|21.759604|73.516695| |1.743324|1.779249|2.005494|2.274880|2.206669|1.907941|2.554542|2.965550|3.678843|0.078223|3.807083|0.108877|4.951376|3.061869|0.088401|2.525329|2.842261|4.494692|3.951849|3.172179|3.702230|7.026967|2.597032|2.154104|2.728006|0.059327|1.926462|1.767064|2.856985|1.643643|1.762681|4.683504|3.919731|4.103484|5.423139|8.379778|7.112515|21.724533|16.005665|73.516695| |17.726441|8.882796|5.628834|4.983900|5.658458|8.963917|4.036062|3.409611|5.007541|0.089533|2.693974|0.070057|3.477847|2.752844|0.074823|3.475018|2.404983|4.215429|2.924585|2.105266|2.266576|3.770233|1.900759|1.913712|2.684756|0.059232|1.747003|1.757520|3.194941|2.033169|2.039554|2.403946|2.503041|2.181409|1.907710|1.866594|2.050233|2.232119|2.723906|2.832511|0.500000| |8.882453|17.725218|8.985151|5.694292|4.955253|5.637341|3.625533|3.423882|5.628887|0.106526|2.713850|0.072479|3.307267|2.477333|0.068265|2.937281|2.123732|3.638159|2.630461|1.949740|2.166482|3.717445|1.703783|1.671587|2.297474|0.050417|1.520343|1.511920|2.699041|1.675959|1.700931|2.473969|2.599498|2.283930|1.994208|1.939642|2.116264|2.314712|2.834824|2.918903|0.215707|0.500000| |5.598264|8.904440|17.718238|8.826117|5.570233|4.884068|4.299577|4.613044|9.125641|0.188069|3.548728|0.096547|3.988162|2.829879|0.078484|3.224885|2.328243|3.869110|2.894448|2.203288|2.568922|4.499871|1.834297|1.745580|2.353835|0.051952|1.559485|1.525090|2.669088|1.641385|1.694669|3.235920|3.391317|2.890572|2.488680|2.431313|2.699022|2.836772|3.430661|3.553025|0.123766|0.215203|0.500000| |8.942085|5.614929|4.883096|5.607893|8.829485|17.704607|6.434605|4.550148|5.892076|0.098832|3.463918|0.086314|4.711753|4.019684|0.105852|5.884954|3.423967|6.012421|3.975468|2.774785|2.961437|4.701412|2.502202|2.532399|3.591351|0.081516|2.246686|2.240774|4.062128|2.676683|2.726182|2.949100|3.008934|2.523405|2.188893|2.171276|2.448450|2.558572|3.072576|3.262939|0.215690|0.124036|0.106336|0.500000| |4.087744|3.452582|3.563881|4.564515|6.470761|5.756523|8.864271|5.787753|6.011700|0.100745|4.844926|0.110043|7.671831|8.863810|0.222031|17.573873|6.884773|12.128246|6.613605|4.151004|4.353011|6.243155|3.816452|3.685890|5.316240|0.132377|3.161950|3.059962|5.261462|3.501965|3.703198|4.037274|3.986635|3.209431|2.773591|2.801142|3.256090|3.222709|3.785918|4.113797|0.100511|0.080730|0.084217|0.181433|0.500000| |3.844262|3.329072|3.496978|4.508654|6.145413|5.258547|8.880537|6.085366|6.134984|0.103619|5.266507|0.126700|9.088027|8.772427|0.174221|17.480657|7.063781|10.393827|7.793077|5.339616|5.558235|7.761675|4.218968|4.078547|5.343845|0.125921|3.065625|2.816724|4.903952|3.278106|3.749155|3.934791|3.564306|2.869361|2.577285|2.716961|3.267813|3.188486|3.692595|4.189708|0.094285|0.078187|0.083482|0.158847|0.302129|0.500000| |2.051005|1.966524|2.133086|2.514837|2.706448|2.374067|3.367331|3.470893|3.851112|0.074514|4.297759|0.119541|8.151887|5.076335|0.118741|3.931460|5.900106|7.954939|12.452947|17.637086|9.145767|13.562254|7.241019|4.914398|5.127251|0.108719|3.255258|2.668406|4.312727|2.581682|3.096049|3.736350|3.038454|2.675915|2.725764|3.206636|3.885064|4.147641|4.609104|6.042080|0.052396|0.049297|0.055833|0.066707|0.094676|0.113923|0.500000| |2.327212|2.191792|2.354144|2.802926|3.112665|2.744306|3.901790|3.817580|4.185641|0.078970|4.377936|0.121964|8.402318|5.483577|0.118659|4.724020|6.188690|8.221555|12.322342|17.560093|9.021283|12.697680|6.524284|5.324700|5.458821|0.115396|3.227702|2.680710|4.497474|2.807459|3.476031|3.495672|2.903576|2.489822|2.441956|2.772044|3.371710|3.484018|3.944637|4.908266|0.059328|0.054445|0.060588|0.078059|0.109615|0.151654|0.302845|0.500000| |1.883134|1.768934|1.863965|2.151308|2.371606|2.172784|2.849736|2.766875|3.151847|0.060384|3.145147|0.083839|5.612593|4.230548|0.103366|3.478626|5.828043|9.045021|12.624993|7.701429|4.866885|7.316000|17.638665|8.995888|7.636009|0.148747|4.830078|3.540799|5.553280|3.256183|4.145178|2.866796|2.513710|2.280524|2.294353|2.559696|2.897365|3.343452|3.880799|4.693748|0.049084|0.044714|0.048474|0.062905|0.090042|0.102029|0.239363|0.189337|0.500000| |1.934954|1.805183|1.895453|2.194680|2.445456|2.247620|2.955487|2.827525|3.199235|0.060815|3.182559|0.081329|5.649567|4.686643|0.121169|3.701834|7.167861|12.717274|12.459120|5.911926|4.371457|6.380976|17.605635|8.774614|9.720991|0.207203|6.601265|4.610113|6.638780|3.781164|4.607670|3.019640|2.730564|2.502655|2.493408|2.715468|3.005481|3.485056|4.085395|4.744452|0.050476|0.045522|0.049062|0.065578|0.100113|0.103050|0.164510|0.137297|0.304777|0.500000| |2.146798|1.947490|1.994887|2.295299|2.646815|2.523428|3.114835|2.806309|3.212895|0.060017|2.926375|0.076746|5.093816|4.245637|0.100298|4.028691|5.847935|10.093418|9.807916|5.580149|4.028030|6.001405|8.830819|17.628734|12.371194|0.213019|5.630360|4.190278|7.233555|4.782068|7.565239|2.561194|2.327681|2.072498|2.002420|2.150191|2.433058|2.726187|3.217496|3.706465|0.056692|0.048979|0.050821|0.076135|0.108359|0.128848|0.135118|0.168750|0.203060|0.174188|0.500000| |1.814708|1.671760|1.714862|1.941065|2.178369|2.081786|2.514807|2.341129|2.737496|0.052044|2.491447|0.065864|4.197889|3.392840|0.084924|3.093147|4.555092|8.288445|7.609780|4.477703|3.335556|5.159281|8.813788|17.617934|12.405082|0.183932|7.373183|4.735124|7.725770|4.527006|6.613661|2.280408|2.093241|1.917417|1.889184|2.027253|2.234077|2.632723|3.141739|3.596688|0.048259|0.042563|0.044295|0.061931|0.084720|0.092897|0.121467|0.125957|0.229149|0.200121|0.302116|0.500000| |1.680786|1.543204|1.564649|1.745726|1.954577|1.905227|2.201518|2.039317|2.429187|0.046284|2.128700|0.055451|3.440468|2.866216|0.076037|2.658689|3.691390|7.515398|5.318717|3.132743|2.578774|4.041072|5.232671|7.029883|12.387255|0.181024|17.615997|8.842788|12.683643|5.890095|7.019292|2.022941|1.926412|1.806102|1.771303|1.848656|1.974432|2.403371|2.929151|3.213333|0.045243|0.039596|0.040488|0.057071|0.076533|0.076432|0.085094|0.084645|0.128289|0.154326|0.148979|0.225172|0.500000| |1.775193|1.638712|1.682155|1.901341|2.126938|2.031562|2.452691|2.292193|2.686220|0.051106|2.443650|0.062557|4.021566|3.426609|0.093107|3.003636|4.637176|9.921485|6.502402|3.590770|2.960520|4.537724|6.581172|7.017867|12.304328|0.225219|17.642356|8.811937|10.172870|5.020909|5.626336|2.366742|2.253787|2.119463|2.084961|2.178056|2.319185|2.812775|3.410668|3.738922|0.047226|0.041773|0.043525|0.060323|0.086556|0.083466|0.097842|0.091783|0.148545|0.236940|0.141585|0.187088|0.299625|0.500000| |1.646978|1.509616|1.518721|1.677946|1.874098|1.850124|2.071819|1.913742|2.311504|0.044059|1.964206|0.050465|3.069937|2.607502|0.072637|2.453088|3.180895|6.826033|4.183935|2.506931|2.202819|3.472850|3.622884|4.118891|7.620748|0.144117|8.913887|17.643609|16.893957|5.892242|5.014722|1.921926|1.894567|1.810456|1.757722|1.782502|1.858759|2.301392|2.853039|3.007322|0.044662|0.038920|0.039324|0.055523|0.073278|0.067852|0.067487|0.066441|0.088345|0.112499|0.097399|0.113966|0.215359|0.210243|0.500000| |1.924964|1.743211|1.754135|1.964647|2.238071|2.205306|2.508793|2.269069|2.697197|0.050742|2.304815|0.058000|3.648002|3.256720|0.091921|3.067314|4.064758|9.581365|4.983622|2.860986|2.537093|3.905986|4.115218|4.584533|9.380138|0.207360|8.826949|17.511159|16.522402|7.325544|5.864019|2.244793|2.232334|2.101983|2.000909|2.014130|2.122205|2.541024|3.123503|3.288851|0.051875|0.044469|0.044942|0.066961|0.094817|0.083233|0.074744|0.074787|0.095004|0.128049|0.109560|0.115494|0.173242|0.214072|0.300997|0.500000| |2.021062|1.780769|1.735812|1.906178|2.209986|2.295437|2.367060|2.075777|2.523457|0.047186|2.018839|0.052072|3.138273|2.713773|0.072018|2.853151|3.178744|6.630936|4.086455|2.519162|2.233890|3.513458|3.239210|4.127747|7.618956|0.143386|5.019153|5.891315|16.894270|17.642655|8.909694|1.875194|1.842763|1.698527|1.603203|1.627221|1.748593|2.056892|2.520681|2.693745|0.056052|0.045739|0.044056|0.072340|0.087796|0.083512|0.064424|0.070894|0.078909|0.087645|0.114889|0.107642|0.131992|0.110074|0.132146|0.148324|0.500000| |2.261256|1.980152|1.945981|2.175975|2.567216|2.633147|2.813967|2.426848|2.893216|0.053529|2.356155|0.059418|3.713926|3.377928|0.091110|3.527160|4.057782|9.248922|4.879032|2.869372|2.563594|3.937980|3.761279|4.585703|9.361546|0.205663|5.855102|7.325295|16.536490|17.506939|8.833736|2.198776|2.180313|1.994352|1.859441|1.874771|2.020921|2.334002|2.847699|3.030317|0.061810|0.050226|0.049008|0.083608|0.113665|0.099908|0.072143|0.078441|0.087523|0.104317|0.123391|0.111292|0.134935|0.131429|0.148397|0.220010|0.301015|0.500000| |2.315664|2.033972|2.018516|2.285159|2.710103|2.731100|3.041768|2.615748|3.067753|0.056643|2.567596|0.066097|4.207338|3.716387|0.092316|3.934481|4.665509|9.409698|6.173212|3.642977|3.053299|4.648595|4.835913|7.079052|12.355127|0.224604|5.633399|5.027703|10.161305|8.801437|17.619626|2.286392|2.172954|1.945634|1.836382|1.907318|2.114178|2.389168|2.869183|3.169833|0.062583|0.051273|0.050765|0.086347|0.116869|0.123672|0.089059|0.105831|0.112536|0.118834|0.230659|0.161303|0.143129|0.126577|0.110113|0.131959|0.209338|0.214751|0.500000| |1.906808|1.712352|1.706726|1.900895|2.179454|2.181139|2.416587|2.162815|2.582512|0.048577|2.176324|0.056889|3.508502|2.960855|0.075736|2.967176|3.698694|7.365450|5.206440|3.155768|2.616091|4.089779|4.547061|7.074594|12.380714|0.180388|6.990964|5.855242|12.591996|8.822926|17.611892|1.991494|1.894386|1.735750|1.668730|1.737006|1.891899|2.221457|2.691464|2.964993|0.051842|0.043788|0.043619|0.067091|0.086230|0.089828|0.081397|0.090716|0.111157|0.116207|0.195564|0.197724|0.209050|0.142793|0.131175|0.134554|0.215369|0.173148|0.299651|0.500000| |3.357768|3.447704|4.157103|5.326224|5.028621|3.867081|5.920279|7.355970|9.134376|0.170519|6.845154|0.145463|7.001896|5.156782|0.175486|4.805202|3.777859|6.182897|4.321361|3.123916|3.837519|6.192716|2.614765|2.322597|3.172823|0.073350|2.124620|2.062557|3.426355|2.068821|2.134593|8.908469|17.736255|8.945898|5.656366|5.000292|5.650891|4.919873|5.723794|5.725360|0.079822|0.082585|0.108099|0.096934|0.125290|0.106423|0.078742|0.078273|0.066916|0.072883|0.064752|0.057394|0.053237|0.061632|0.052862|0.063016|0.053097|0.063234|0.062284|0.053469|0.500000| |2.429264|2.515522|2.875804|3.255086|3.080262|2.637975|3.379387|3.849669|5.110282|0.105427|4.052448|0.098049|4.696576|3.428220|0.113804|3.085207|2.877132|4.909417|3.450950|2.476714|2.875527|4.822690|2.214841|1.966838|2.707639|0.061431|1.893254|1.861397|3.054136|1.786320|1.811855|5.627929|8.912343|17.738213|8.950846|5.686392|4.949636|5.666253|7.162258|6.053396|0.060575|0.063668|0.078932|0.068536|0.084009|0.073362|0.065578|0.061965|0.057672|0.063719|0.053577|0.049803|0.047825|0.055748|0.048905|0.056772|0.045952|0.053938|0.051492|0.046072|0.216379|0.500000| |1.921466|1.982374|2.239586|2.502331|2.387932|2.075832|2.667180|3.057589|3.969760|0.084183|3.528747|0.091076|4.277870|2.950586|0.093322|2.542973|2.620169|4.396942|3.317061|2.441718|2.806377|4.878964|2.179390|1.892302|2.544533|0.056650|1.813741|1.747834|2.834412|1.629110|1.676519|4.920778|5.629585|8.878222|17.787375|8.923477|5.628906|9.770686|14.179815|8.830540|0.048659|0.050947|0.062338|0.054839|0.067765|0.062899|0.067428|0.060375|0.058278|0.063444|0.050900|0.048721|0.046387|0.054353|0.046581|0.052385|0.041829|0.048163|0.047059|0.043298|0.124103|0.213717|0.500000| 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