Version2.0 2020-01-16T19:43:08Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(cc1C(F)(F)F)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCNc4ccccc4 C39655522 RHF 6-31G(d) (6D,7F) COc1ccc(cc1C(F)(F)F)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCNc4ccccc4 C01[X(C26H32F3N4O3)] 198 C1 604 COc1ccc(cc1C(F)(F)F)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCCNc1ccccc1 COc1ccc(cc1C(F)(F)F)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCCNc1ccccc1 COc1ccc(cc1C(F)(F)F)C(=O)N2C[C@@H](C(=O)NCCNc3ccccc3)C4(CC[NH2+]CC4)C2 InChIKey=AFBWNPMLZMXGIF-NRFANRHFSA-O InChI=1S/C26H31F3N4O3/c1-36-22-8-7-18(15-20(22)26(27,28)29)24(35)33-16-21(25(17-33)9-11-30-12-10-25)23(34)32-14-13-31-19-5-3-2-4-6-19/h2-8,15,21,30-31H,9-14,16-17H2,1H3,(H,32,34)/p+1/t21-/m0/s1 InChI=1/C26H31F3N4O3/c1-36-22-8-7-18(15-20(22)26(27,28)29)24(35)33-16-21(25(17-33)9-11-30-12-10-25)23(34)32-14-13-31-19-5-3-2-4-6-19/h2-8,15,21,30-31H,9-14,16-17H2,1H3,(H,32,34)/p+1/t21-/m0/s1/fC26H32F3N4O3/h30,32H/q+1 COc1ccc(cc1C(F)(F)F)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCNc4ccccc4 C01[X(C26H32F3N4O3)] 198 C01 604 COc1ccc(cc1C(F)(F)F)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCCNc1ccccc1 COc1ccc(cc1C(F)(F)F)C(=O)N1C[C@H](C2(C1)CC[NH2]CC2)C(=O)NCCNc1ccccc1 COc1ccc(cc1C(F)(F)F)C(=O)N2C[C@@H](C(=O)NCCNc3ccccc3)C4(CC[NH2]CC4)C2 InChIKey=RDNBMKLCXRIWSJ-NRFANRHFSA-N InChI=1S/C26H32F3N4O3/c1-36-22-8-7-18(15-20(22)26(27,28)29)24(35)33-16-21(25(17-33)9-11-30-12-10-25)23(34)32-14-13-31-19-5-3-2-4-6-19/h2-8,15,21,31H,9-14,16-17,30H2,1H3,(H,32,34)/t21-/m0/s1 InChI=1/C26H32F3N4O3/c1-36-22-8-7-18(15-20(22)26(27,28)29)24(35)33-16-21(25(17-33)9-11-30-12-10-25)23(34)32-14-13-31-19-5-3-2-4-6-19/h2-8,15,21,31H,9-14,16-17,30H2,1H3,(H,32,34)/t21-/m0/s1/f/h32H 3828.9581994299 -1743.7416269 1-A 32255.4047 133 471 604 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.39598 -26.38759 -26.38691 -20.68075 -20.63173 -20.63067 -15.85976 -15.69510 -15.68875 -15.63395 -11.56371 -11.45760 -11.45465 -11.44877 -11.44203 -11.40935 -11.38602 -11.38377 -11.37924 -11.37670 -11.36954 -11.36833 -11.35912 -11.35472 -11.34736 -11.34163 -11.33794 -11.33302 -11.33046 -11.32920 -11.32193 -11.28717 -11.28537 -11.27966 -11.27724 -11.27129 -1.79095 -1.68847 -1.68423 -1.51577 -1.50202 -1.49902 -1.49348 -1.37274 -1.34522 -1.31051 -1.26321 -1.25295 -1.20920 -1.19549 -1.16738 -1.15386 -1.12938 -1.10769 -1.10009 -1.06903 -1.05528 -1.04328 -1.03931 -1.03676 -1.01956 -0.99684 -0.96221 -0.94629 -0.94074 -0.92654 -0.91065 -0.89794 -0.88811 -0.88236 -0.87596 -0.87382 -0.86384 -0.86182 -0.84872 -0.82234 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869.4390 879.6474 886.0894 906.7333 924.0767 927.7642 934.9571 943.4048 952.1948 971.7162 994.3568 1011.6409 1044.0115 1051.7856 1059.5196 1081.1756 1082.3731 1084.8059 1089.2474 1098.9942 1110.4339 1116.8435 1129.7667 1131.3587 1137.1632 1143.2558 1148.3907 1153.0642 1170.1221 1182.4748 1187.5205 1208.8299 1211.4746 1227.8364 1233.2263 1256.7984 1263.4414 1272.5185 1290.3128 1291.8350 1300.6030 1306.5626 1315.9080 1325.4204 1327.8008 1330.2513 1337.3248 1352.3392 1359.5521 1370.6882 1376.8129 1384.0160 1389.2790 1411.2740 1418.2884 1430.1204 1444.6605 1447.4980 1449.0194 1457.0654 1461.2681 1466.1930 1474.9801 1487.6320 1501.2809 1510.4609 1533.6270 1542.6913 1545.6914 1554.0184 1560.2683 1565.7785 1572.3462 1583.0553 1599.6961 1611.1480 1628.4030 1631.5846 1636.0833 1641.7737 1646.0953 1651.3610 1653.3196 1654.1582 1666.8231 1668.3317 1671.4329 1676.5648 1691.3980 1697.8915 1722.0097 1773.1147 1793.4663 1811.3180 1817.7331 1827.6671 1894.9498 1928.3236 3136.3450 3194.7263 3202.8905 3227.1495 3236.9881 3239.7748 3263.6255 3268.2995 3270.0695 3281.7438 3289.9882 3299.7543 3319.0467 3326.5578 3328.0740 3335.8415 3339.9726 3349.8416 3357.2764 3358.5917 3359.5988 3371.5594 3373.6860 3387.7932 3390.7607 3395.0100 3421.8375 3436.6842 3669.1573 3732.4809 3811.5491 3889.5061 5.7929 6.0534 5.4608 5.1341 4.8075 5.4461 5.9718 4.6579 7.8414 4.0730 4.2357 5.5179 3.6865 5.8729 2.8372 3.5972 3.7575 3.8358 4.7309 4.6357 4.3322 4.9102 3.6478 3.4102 1.5969 2.4128 3.2042 3.3296 4.5209 3.3197 3.8297 3.6295 6.8439 3.4392 5.3112 3.5243 3.4594 4.0551 2.9726 2.5072 2.2204 2.5858 2.4628 2.0970 4.2320 2.1764 7.9881 3.0023 2.4587 4.3663 3.3024 5.4288 6.8111 4.7895 2.5505 5.3427 3.6322 4.4814 7.9039 3.1571 2.0108 3.7676 4.8101 4.8067 4.2581 1.6959 3.6457 1.7636 3.0983 1.8423 4.0964 3.7014 1.3216 4.4542 1.5351 1.7117 2.5698 2.3732 1.4846 2.3427 2.5692 2.9403 2.2557 5.3022 1.7166 1.5334 1.3515 2.1755 1.3502 1.3100 2.4061 2.2330 2.7842 2.3625 4.4677 2.6856 2.9224 3.6886 1.9167 2.6007 2.2214 2.1407 1.3504 2.1808 1.9908 1.7768 1.6909 1.2627 2.6106 1.1480 2.6658 1.9652 1.7768 1.5804 1.9394 1.4205 3.3475 1.3943 9.1198 1.7463 1.3057 2.8154 1.6114 1.9289 3.1244 1.2631 1.2609 1.2190 1.2639 1.3271 2.7978 1.3200 1.4366 1.3508 1.4977 1.3670 2.3056 1.3474 1.4754 1.4597 1.4619 1.3861 4.4295 1.9182 1.2655 1.1036 1.0911 1.0868 1.0877 1.0472 1.0699 1.0912 1.0881 1.5639 1.1147 1.2982 2.6696 1.7016 2.0178 6.6803 4.4753 5.1904 5.6466 1.0780 11.3958 8.3283 1.0741 1.0753 1.0752 1.0337 1.0722 1.0866 1.0649 1.0883 1.0712 1.0614 1.0646 1.1088 1.0906 1.0923 1.1053 1.0986 1.1117 1.0887 1.1080 1.0886 1.1034 1.0986 1.0934 1.0937 1.0911 1.0975 1.0939 1.0923 1.0559 1.0960 1.0761 1.0792 0.0002 0.0004 0.0010 0.0020 0.0021 0.0043 0.0064 0.0079 0.0172 0.0148 0.0176 0.0319 0.0336 0.0564 0.0292 0.0389 0.0418 0.0560 0.0757 0.0779 0.0976 0.1370 0.1225 0.1241 0.0610 0.1035 0.1574 0.1720 0.2642 0.2098 0.2498 0.2598 0.5159 0.2806 0.4643 0.3264 0.3448 0.4268 0.3644 0.3092 0.2968 0.3719 0.3623 0.3302 0.6832 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7.3578 7.3324 7.3955 7.3912 7.4532 7.5464 7.6009 8.3755 8.9965 9.2108 9.6194 1.5596 2.0124 1.8425 0.7784 6.1705 4.3421 6.3363 1.0673 3.8577 4.3660 5.2902 5.9967 5.2269 2.4966 0.2581 0.5531 0.8949 7.8931 5.5679 1.4418 5.6051 0.1706 9.0302 11.3931 2.1046 3.1865 2.8918 2.7621 0.2561 14.6972 3.2314 2.3926 1.2844 16.0379 2.4139 4.6314 5.4911 15.7808 1.0324 4.4804 41.5416 11.0414 83.7489 12.7630 6.0050 62.4923 1.6425 4.0151 5.7097 6.6650 47.0539 19.5031 3.1394 20.5556 39.5920 2.4008 2.2267 41.2989 37.9774 8.2735 12.9138 3.3355 1.5569 7.2567 4.0320 78.0913 4.4667 4.5180 42.9238 17.3095 3.5263 8.3733 1.4074 13.1116 11.1576 29.5591 8.2050 3.5212 9.1147 8.7871 20.1169 6.2122 21.1404 2.4053 5.1571 13.7669 0.0516 12.7360 2.1882 0.5344 15.3725 8.3018 12.6587 15.4395 38.0120 4.8183 11.6655 130.7418 4.3656 17.6502 16.3263 6.6925 1.6433 49.8635 49.2321 42.8711 31.9809 4.2337 8.0204 7.2293 3.7432 8.2702 69.7155 263.5149 21.6433 38.7335 51.7391 34.9094 306.4333 162.2301 56.0187 193.5375 207.8277 55.6046 362.7964 104.0258 11.6585 53.2196 182.6405 36.0638 210.1091 12.7275 13.1525 34.9880 42.8122 24.6896 324.4010 37.1639 61.5096 31.1377 7.5309 53.3699 41.9335 15.0536 47.4064 3.2146 11.2761 13.2584 14.0743 7.6463 30.6929 4.3407 11.1123 64.5551 46.3443 2.4393 169.7692 189.2938 365.8273 22.1344 12.0938 121.0852 362.7763 89.6637 333.5513 223.5539 70.7575 1.7690 42.7565 39.1215 30.5244 25.0372 21.4858 33.4974 10.9431 7.5838 5.0656 37.5479 3.7429 2.5905 14.1191 5.5903 6.1874 14.7100 3.6122 3.7988 21.0312 6.4393 22.6063 53.5409 7.9771 9.3923 4.5962 0.6250 73.8052 75.2998 10.2509 41.9288 1.4220 1.4951 2.1820 3.7860 3.3014 0.5623 0.3067 3.8974 0.2246 1.1413 0.3135 0.1546 0.6909 0.6362 0.4358 0.6500 2.1293 1.9680 0.7764 0.2389 0.6304 0.8665 1.0413 2.3954 1.9620 0.4427 2.7584 0.4112 1.0590 0.1321 0.7790 0.3779 1.4897 0.6226 2.2723 0.4968 1.7478 1.5090 0.4568 2.5514 3.3963 1.9694 1.5354 0.5137 0.5117 0.3224 0.8952 0.9812 2.3632 0.2486 0.7765 3.3946 0.5018 2.5653 2.6618 5.0749 5.9722 1.4348 5.1503 2.8363 0.6479 6.7905 1.3681 17.3735 2.4525 0.7227 4.6356 3.8584 1.7726 3.5715 5.2033 6.4220 2.7476 8.0189 2.9840 1.2618 2.3677 7.6291 2.7427 3.1192 5.9000 4.4872 2.1461 33.5627 4.7795 0.5485 0.4726 4.9628 0.8912 0.6304 20.9357 2.7304 2.7758 14.2794 1.9838 3.8258 2.7716 1.1855 3.6783 10.8111 1.8316 1.6859 7.4446 3.0223 2.8641 13.0321 14.1201 4.3669 9.4267 4.4806 16.1448 4.8948 13.5537 7.0808 1.1992 11.3632 8.2475 4.1903 2.9106 7.7877 4.9618 24.8240 10.3240 1.2176 41.9701 8.7086 8.0507 16.8006 10.9398 5.1742 0.1896 1.4027 1.6895 3.1758 4.6101 3.8194 6.1111 2.7423 2.4882 2.5930 3.7615 0.7317 29.8950 3.6223 6.9716 16.6405 21.3072 11.1976 3.7986 24.4099 12.7562 3.0051 11.1167 2.3763 12.4140 6.0501 4.1870 6.7514 2.5385 10.0168 7.1075 59.7971 195.1968 6.9560 64.3595 6.9303 64.4317 6.0061 111.1521 102.0375 107.0900 33.5959 41.7537 12.5420 68.9737 98.5766 98.1070 43.0113 66.8649 61.3411 49.4970 28.6182 53.6306 35.7899 24.5040 92.2689 134.8522 53.1072 99.0517 24.9553 46.4712 283.7321 83.8717 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61 62 63 64 65 66 67 68 6 8 6 6 6 6 6 6 6 9 9 9 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 6 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 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 8966.2570 52803.9045 59066.4374 0.99998 0.00230 0.00547 -0.00235 0.99996 0.00819 -0.00545 -0.00820 0.99995 1 0.00966 0.00164 0.00147 0.20128 0.03418 0.03055 9.83 14.39 25.43 36.66 39.32 52.37 61.29 77.02 87.83 113.14 120.91 142.63 178.93 183.61 190.05 194.99 197.76 226.44 237.10 243.02 281.37 313.06 343.44 357.58 366.38 388.25 415.38 426.01 453.14 471.22 478.69 501.48 514.62 535.41 554.19 570.44 591.73 608.08 656.30 658.28 685.28 710.90 718.91 743.78 753.13 755.05 797.06 820.68 830.90 857.59 892.85 936.86 956.02 960.11 966.87 978.67 995.99 1042.64 1054.83 1097.66 1110.31 1170.11 1196.21 1202.23 1212.34 1217.77 1223.40 1246.10 1250.93 1265.62 1274.88 1304.59 1329.54 1334.85 1345.19 1357.35 1370.00 1398.08 1430.66 1455.53 1502.10 1513.28 1524.41 1555.57 1557.29 1560.79 1567.18 1581.21 1597.67 1606.89 1625.48 1627.77 1636.12 1644.89 1652.28 1659.00 1683.54 1701.32 1708.58 1739.24 1743.04 1766.58 1774.34 1808.25 1817.81 1830.87 1856.47 1858.66 1871.28 1879.85 1893.30 1906.98 1910.41 1913.93 1924.11 1945.71 1956.09 1972.11 1980.93 1991.29 1998.86 2030.51 2040.60 2057.62 2078.54 2082.63 2084.82 2096.39 2102.44 2109.52 2122.17 2140.37 2160.01 2173.22 2206.55 2219.59 2223.91 2235.89 2244.88 2252.81 2262.26 2277.66 2301.61 2318.08 2342.91 2347.49 2353.96 2362.15 2368.36 2375.94 2378.76 2379.96 2398.19 2400.36 2404.82 2412.20 2433.54 2442.89 2477.59 2551.12 2580.40 2606.08 2615.31 2629.61 2726.41 2774.43 4512.50 4596.50 4608.25 4643.15 4657.30 4661.31 4695.63 4702.35 4704.90 4721.70 4733.56 4747.61 4775.37 4786.17 4788.36 4799.53 4805.48 4819.67 4830.37 4832.26 4833.71 4850.92 4853.98 4874.28 4878.55 4884.66 4923.26 4944.62 5279.10 5370.21 5483.97 5596.13 0.611819 0.643109 0.644053 0.543014 -1743.129807 -1743.098518 -1743.097574 -1743.198613 3.388865D-04 MUNgauss RevisionA2.0 retrievium 16-Jan-2020 DUDE COc1ccc(cc1C(F)(F)F)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCNc4ccccc4 C39655522 RHF 6-31G(d) (6D,10F) C1 505.242651 |X|Y|Z| 164.278885 66.143682 29.879353 68.730120 28 6 7 24 4 |36.858105| |13.518752|73.516695| |7.995314|25.540629|36.858105| |6.709894|14.102570|13.708253|36.858105| |4.512591|9.300630|7.934514|13.765207|36.858105| |3.778958|8.224245|6.817838|7.895773|13.745863|36.858105| |3.982063|9.457132|7.924636|6.878741|7.967932|13.652874|36.858105| |5.233424|14.593723|13.551197|7.892684|6.877139|7.896625|13.867978|36.858105| |4.594115|12.335342|7.555328|5.020701|4.453467|5.020834|7.615542|12.636595|36.858105| |3.488768|8.354486|5.239499|4.012351|3.880682|4.681168|7.121524|8.158661|14.364063|97.533100| |4.679509|12.014671|6.410696|4.457707|3.862678|4.136010|5.592785|8.110968|14.449231|20.151509|97.533100| |4.655264|12.012159|6.415929|4.459902|3.869800|4.147846|5.589767|8.120345|14.422304|20.158347|20.122706|97.533100| |2.926354|6.046784|4.452475|5.020945|7.536844|12.816850|7.708699|5.081304|3.833955|8.708397|7.388656|7.376365|36.858105| |2.612802|5.413637|3.828967|4.035935|5.343923|8.106712|6.751141|4.560972|3.700996|8.903156|7.248058|7.016983|15.785954|73.516695| |2.666580|5.273685|3.728726|4.406768|6.451540|7.767836|5.191650|3.939545|3.097704|6.925374|6.103740|6.246178|13.833941|15.047096|53.358707| |2.696906|5.229281|3.630125|4.359140|6.025137|6.279857|4.521570|3.681297|2.927270|6.415021|5.715506|6.151867|7.608618|9.658441|17.743189|36.858105| |2.230449|4.284889|2.849957|3.228701|4.050971|4.358643|3.527951|2.949732|2.484146|5.598941|4.900311|5.314042|5.404927|8.068136|10.740928|12.144965|36.858105| |2.202515|4.254449|2.799762|3.086766|3.735912|4.062262|3.452947|2.928504|2.509616|5.693572|4.893189|5.468290|4.756840|7.318105|8.221273|8.701015|17.569428|0.500000| |2.056659|3.994088|2.650236|2.925556|3.666395|4.192937|3.474464|2.830339|2.424942|5.619693|4.828018|5.081228|5.785871|9.592525|11.007131|7.699397|12.204763|0.242362|36.858105| |2.222002|4.322689|2.924460|3.316453|4.365445|5.037587|3.905295|3.103686|2.585789|5.924374|5.209264|5.274319|7.848199|12.538109|17.920548|8.120814|7.967051|0.161344|12.364933|36.858105| |2.044920|4.054918|2.684186|2.839860|3.469466|4.204995|3.731607|2.987207|2.620572|6.279771|5.127103|5.492554|5.693071|10.399122|8.643215|5.884921|7.578515|0.210421|12.323084|7.455803|36.858105| |1.866393|3.701594|2.414839|2.504171|2.987507|3.623535|3.360691|2.719244|2.456782|6.029130|4.902822|5.084124|4.830156|10.034848|6.694097|4.220997|4.884133|0.131709|7.436485|6.073239|12.528254|36.858105| |1.652084|3.214760|2.059136|2.152965|2.521892|2.909569|2.685050|2.256307|2.060291|4.974785|4.193393|4.320415|3.697973|7.287508|5.411116|3.575494|4.334273|0.115333|6.451270|5.155851|7.705498|12.618813|53.358707| |1.566560|3.045292|1.935346|2.005951|2.320634|2.667314|2.504518|2.125060|1.965896|4.777515|4.043958|4.108748|3.324055|6.699603|4.708333|3.075313|3.556037|0.094841|4.925268|4.345518|5.685892|9.160244|25.686638|0.500000| |1.586371|3.076205|1.953655|2.032156|2.348207|2.675315|2.498327|2.131672|1.965171|4.739259|3.990845|4.177522|3.286655|6.296307|4.814128|3.344138|4.166137|0.115908|5.722145|4.356532|7.009935|9.198235|25.684585|0.328573|0.500000| |1.649082|3.166680|2.031055|2.173854|2.572903|2.882011|2.568012|2.173862|1.952215|4.609381|4.007340|4.094556|3.687893|6.939163|5.799753|3.845029|4.804419|0.119165|7.501219|6.089961|6.535071|7.551301|17.198244|0.254699|0.255774|36.858105| |1.770933|3.385313|2.187533|2.386168|2.865597|3.155503|2.728640|2.308544|2.035870|4.729570|4.135063|4.308593|4.036925|7.065833|6.929131|4.973192|7.255417|0.167990|12.382214|7.432817|7.652837|6.458478|10.397703|0.157143|0.193418|12.490826|36.858105| |2.046092|3.821574|2.477522|2.833350|3.416210|3.440956|2.846508|2.484583|2.126028|4.731513|4.287628|4.598042|4.001555|6.158128|7.475422|7.571515|12.489124|0.246484|7.360182|5.870078|4.964406|3.741201|4.955748|0.085588|0.099050|4.294572|6.487564|36.858105| |1.957104|3.622425|2.336874|2.691303|3.240913|3.218808|2.653025|2.326294|1.994883|4.432511|4.084882|4.274345|3.776083|5.907054|7.059344|6.219971|8.004826|0.163658|6.466498|5.956620|4.308581|3.494113|4.785498|0.084265|0.093461|4.388238|6.391107|15.811138|73.516695| |1.966513|3.634013|2.310978|2.606518|3.016083|2.987049|2.557053|2.295373|1.996235|4.420613|4.029232|4.403788|3.289201|5.139291|5.654139|5.629275|7.829593|0.211784|5.160540|4.206089|4.068045|3.157739|4.217963|0.074202|0.087167|3.488432|4.839190|14.182421|15.101887|53.358707| |1.801253|3.269453|2.039793|2.293110|2.579788|2.502373|2.178155|1.998490|1.760831|3.878774|3.608696|3.903917|2.693844|4.284957|4.467268|4.114058|4.993205|0.133879|3.838515|3.352631|3.142760|2.595124|3.558086|0.064218|0.073675|2.961455|3.852864|7.751385|12.095719|17.814609|36.858105| |1.583351|2.883261|1.782698|1.965350|2.191101|2.169426|1.926858|1.769229|1.585835|3.534124|3.270110|3.515821|2.361061|3.867215|3.820781|3.312336|4.106690|0.112413|3.477376|2.982383|2.924542|2.494847|3.553379|0.064538|0.075011|2.975145|3.779720|5.739954|9.659364|10.478389|12.485407|36.858105| |1.473888|2.653964|1.621128|1.781985|1.952726|1.910243|1.712884|1.594915|1.440409|3.195134|2.999331|3.204074|2.044048|3.367900|3.238242|2.737734|3.187846|0.086919|2.786913|2.497122|2.401454|2.108688|3.001916|0.055654|0.062982|2.487767|3.001056|4.168743|7.423496|6.969450|7.869600|13.228421|53.358707| |1.331597|2.400012|1.456687|1.583582|1.723622|1.701005|1.544006|1.441638|1.315947|2.935678|2.754908|2.927350|1.822579|3.050069|2.838273|2.332215|2.696306|0.073962|2.458854|2.212820|2.165896|1.949649|2.821840|0.052954|0.059624|2.324462|2.708527|3.341313|6.025839|5.255517|5.075739|7.702445|18.506114|36.858105| |1.253368|2.242919|1.349291|1.461298|1.571003|1.540105|1.408512|1.328316|1.219603|2.711633|2.568579|2.722634|1.629417|2.733031|2.501579|2.036363|2.284161|0.062810|2.095606|1.925226|1.875097|1.707180|2.450258|0.046501|0.051533|1.991140|2.265632|2.745325|4.964497|4.242344|3.960627|5.113103|10.787585|13.635694|36.858105| |1.150793|2.061567|1.234977|1.327385|1.421053|1.401195|1.291975|1.220843|1.129257|2.520473|2.387927|2.520374|1.482798|2.511557|2.250845|1.802570|2.010647|0.055418|1.885551|1.740132|1.711122|1.583052|2.289087|0.043864|0.048269|1.846714|2.053197|2.350765|4.261938|3.537319|3.126402|3.904713|7.055817|7.896550|13.818383|36.858105| |1.114627|2.008704|1.205975|1.290433|1.387284|1.381410|1.277472|1.201222|1.114527|2.503128|2.355916|2.480627|1.474377|2.518604|2.232922|1.769702|1.996639|0.055082|1.909048|1.748300|1.742172|1.628725|2.390050|0.045962|0.050726|1.929646|2.119448|2.307941|4.189660|3.415284|2.921263|3.715605|6.170906|6.799143|7.918809|13.711853|36.858105| |1.167962|2.117942|1.279989|1.371462|1.487985|1.492792|1.374888|1.282155|1.185776|2.674107|2.495546|2.630699|1.611458|2.757670|2.460401|1.951993|2.252362|0.062084|2.169081|1.953302|1.965666|1.833091|2.727734|0.052102|0.058312|2.225632|2.465568|2.627293|4.767335|3.878796|3.291899|4.427902|6.985327|7.906681|6.911012|7.995458|13.803493|36.858105| |1.276621|2.318096|1.409996|1.522212|1.664726|1.666372|1.519774|1.409914|1.293039|2.908943|2.706456|2.866185|1.807520|3.063478|2.803613|2.263495|2.664989|0.073238|2.513336|2.230597|2.231279|2.037907|3.019495|0.056798|0.064497|2.498255|2.868820|3.225360|5.832345|4.886493|4.325954|6.532338|10.569048|13.706369|7.952412|6.888875|7.899535|13.713299|36.858105| |17.679098|17.001213|5.903340|4.905004|3.622862|3.182727|3.421974|4.422494|4.256094|7.391701|10.176813|10.117111|2.551195|4.137135|3.176814|2.357737|1.998608|0.055214|1.858293|1.985991|1.862901|1.717461|2.082429|0.040504|0.040981|1.519709|1.620060|1.844751|3.140656|2.432330|1.649839|1.464981|1.866856|1.247256|1.179706|1.088113|1.054651|1.101533|1.197730|0.500000| |17.591399|16.430499|7.031026|6.701621|4.572217|3.731259|3.799874|4.756225|4.083212|7.218835|9.662971|8.809401|2.923934|4.645591|3.644399|2.662362|2.191999|0.059261|2.038199|2.240358|2.000157|1.838961|2.228266|0.043249|0.043427|1.648161|1.763410|2.029065|3.498195|2.629807|1.780669|1.566389|1.991843|1.323264|1.246938|1.145593|1.109352|1.161485|1.268414|0.299797|0.500000| |17.587221|16.427195|7.003103|6.701688|4.569058|3.721462|3.777113|4.726624|4.057273|7.177695|8.805643|9.552749|2.909375|4.544437|3.701980|2.839554|2.339565|0.064485|2.111295|2.256120|2.081407|1.872300|2.264629|0.043558|0.044588|1.669476|1.815193|2.163761|3.652411|2.862636|1.929800|1.678691|2.127787|1.403135|1.321088|1.206906|1.163501|1.217773|1.336415|0.299809|0.298115|0.500000| |7.457294|12.591508|8.883348|17.780818|8.961451|5.643974|4.960327|5.616576|4.085290|7.497283|8.570649|8.557601|4.096268|6.004081|5.214821|3.913296|2.971991|0.078714|2.662327|2.992750|2.536696|2.247438|2.687520|0.051244|0.052040|2.017659|2.221701|2.709497|4.628558|3.442330|2.272965|1.938277|2.420565|1.577153|1.465271|1.328492|1.283565|1.356022|1.503754|0.145831|0.223136|0.223717|0.500000| |3.920114|7.503254|5.660664|8.987941|17.734612|8.908747|5.651668|4.955960|3.559844|7.195035|7.177676|7.177004|6.903533|8.725276|9.618339|6.828391|4.382299|0.107767|3.867457|4.750404|3.451297|2.947298|3.465931|0.064761|0.065709|2.675614|3.037453|3.828862|6.604260|4.505879|2.842366|2.372073|2.875267|1.846467|1.677526|1.507481|1.465797|1.573465|1.771816|0.089221|0.113243|0.113091|0.218290|0.500000| |3.327786|7.629295|5.642359|4.960658|5.672291|8.937757|17.784994|8.983167|7.067622|18.516835|11.828310|11.761674|7.214513|13.318733|6.580204|4.119271|3.412550|0.093937|3.511934|3.865121|3.980281|3.715189|3.925680|0.075278|0.074246|2.675972|2.776856|2.726399|4.515360|3.331447|2.082706|1.872451|2.259952|1.508606|1.373772|1.266629|1.260399|1.360968|1.498461|0.082331|0.088418|0.087776|0.107750|0.124402|0.500000| |2.988346|5.902081|4.170830|4.957163|6.734721|7.068073|5.189484|4.244475|3.306959|7.151581|6.278542|7.049177|7.280127|9.244543|12.320767|17.655989|8.636276|0.226795|5.959029|5.914572|5.390983|3.910712|4.418641|0.078557|0.085922|3.329630|4.114254|5.849341|8.469247|6.793810|3.737561|3.032781|3.462121|2.180899|1.925914|1.711242|1.674967|1.833149|2.108331|0.072040|0.080110|0.088421|0.120132|0.191967|0.127682|0.500000| |2.734576|5.141928|3.513322|4.396731|5.923727|5.415148|3.963732|3.393419|2.708333|5.816149|5.400221|5.734603|5.948092|7.904658|12.347262|17.612880|8.697860|0.182373|5.904626|6.568106|4.504019|3.484777|4.215171|0.075478|0.080958|3.420907|4.362755|7.712983|12.193422|7.949909|4.471883|3.447756|3.938179|2.424971|2.126968|1.865170|1.810605|1.982548|2.309689|0.066046|0.076001|0.081021|0.115034|0.209212|0.098408|0.302347|0.500000| |2.129816|4.057440|2.703361|3.117117|4.015651|4.294147|3.365640|2.782917|2.334709|5.270255|4.784280|4.803270|5.909991|9.383053|12.518660|7.051431|7.003126|0.140722|8.858239|17.594692|5.482015|4.725570|6.040399|0.106925|0.106741|5.661382|7.048663|6.255786|12.975199|5.911929|3.577146|3.166979|3.631570|2.350176|2.038524|1.833253|1.835726|2.051636|2.356313|0.052943|0.060268|0.060352|0.080389|0.127207|0.090738|0.141841|0.184795|0.500000| |2.141379|4.198387|2.825105|3.122649|4.019501|4.803878|3.889214|3.063286|2.593083|6.050822|5.276267|5.209170|7.609778|14.750802|12.490350|5.806135|5.641721|0.127337|8.543798|17.709302|6.842704|6.745151|7.583959|0.135727|0.124016|6.303272|6.351087|4.447201|8.127051|4.658195|2.836874|2.596968|3.022608|2.007025|1.764825|1.615152|1.633205|1.817678|2.042613|0.053520|0.060235|0.059517|0.077801|0.117136|0.110609|0.131395|0.136634|0.301199|0.500000| |2.272722|4.599113|3.106214|3.248192|4.026068|5.181928|4.638434|3.559272|3.070179|7.421025|5.856594|6.373622|7.108956|12.765171|9.642379|6.420305|6.972025|0.200961|8.701380|6.873916|17.631932|9.050447|7.649646|0.127424|0.143915|4.881516|5.519192|4.506515|6.918718|5.162108|2.949876|2.681643|3.045987|2.010176|1.762286|1.607420|1.622514|1.807794|2.040980|0.057147|0.061250|0.064075|0.078641|0.107283|0.140103|0.177231|0.130998|0.139290|0.177671|0.500000| |1.932987|3.804568|2.474074|2.591524|3.068930|3.590702|3.284762|2.726017|2.441441|5.839447|4.778554|5.236815|4.459103|7.944311|6.703022|5.071212|6.969971|0.225905|8.809758|5.469774|17.500371|8.904284|9.454863|0.144439|0.205884|5.767071|6.945342|4.860084|7.232818|5.776520|3.255206|3.089361|3.409200|2.266401|1.950029|1.779493|1.818882|2.064931|2.351321|0.049291|0.052125|0.055044|0.065112|0.084730|0.096655|0.134976|0.112106|0.123375|0.138288|0.304294|0.500000| |1.928867|3.841501|2.526121|2.625299|3.168875|3.916363|3.604032|2.863885|2.565588|6.311667|5.165210|5.198730|5.458772|12.506329|7.205508|4.181372|4.479152|0.115792|6.664626|6.655238|8.776029|17.661890|12.333941|0.224020|0.180629|6.820208|5.648044|3.500843|6.002742|3.974347|2.438182|2.319969|2.707943|1.839295|1.623798|1.507920|1.545183|1.725481|1.908853|0.049143|0.053241|0.053264|0.065043|0.086635|0.111714|0.106385|0.097071|0.140928|0.238630|0.214845|0.173383|0.500000| |1.814602|3.620742|2.336905|2.368248|2.757501|3.348162|3.254272|2.669546|2.477440|6.213995|4.927946|5.159221|4.210810|8.802607|5.542876|3.620083|4.068520|0.115140|5.434311|4.610353|8.776736|17.627136|12.363713|0.221527|0.226328|5.565972|4.881642|3.202690|5.274943|3.829365|2.347595|2.273248|2.645905|1.812666|1.600893|1.494111|1.539297|1.722751|1.896001|0.046748|0.049322|0.050378|0.058966|0.074173|0.102525|0.097222|0.084293|0.104251|0.139625|0.214049|0.215741|0.301557|0.500000| |1.685622|3.238661|2.085929|2.242740|2.675086|3.005158|2.653743|2.232438|1.993418|4.700052|4.124031|4.130207|3.920313|7.553012|6.104435|3.807981|4.420507|0.106818|6.734309|6.702100|5.731430|6.876380|12.431150|0.225589|0.181341|17.634831|8.750081|3.962252|7.470459|4.336848|2.746636|2.706849|3.145855|2.156708|1.871977|1.739498|1.805294|2.054278|2.287059|0.043045|0.047163|0.047101|0.057735|0.077630|0.076728|0.090751|0.095291|0.176876|0.215179|0.127715|0.133085|0.203091|0.141885|0.500000| |1.511809|2.879106|1.823398|1.943193|2.257280|2.480316|2.241553|1.935450|1.758832|4.141176|3.641254|3.717841|3.054142|5.695271|4.721002|3.233643|3.982200|0.101449|5.462580|4.622153|4.914226|5.563243|12.368454|0.222406|0.225685|17.625592|8.767182|3.797868|7.017203|4.372926|2.828690|2.946692|3.397816|2.384415|2.039164|1.911902|2.027391|2.362893|2.622370|0.038934|0.042006|0.042550|0.050626|0.065283|0.064623|0.079180|0.082272|0.126162|0.131312|0.107849|0.129784|0.141196|0.126513|0.301553|0.500000| |1.689853|3.219774|2.058208|2.222610|2.614049|2.850550|2.520366|2.167636|1.936122|4.501536|3.923904|4.155576|3.492470|6.081607|5.769610|4.427563|6.680031|0.173761|8.771274|5.446408|6.887116|5.682729|9.349652|0.143502|0.203366|8.886169|17.498139|6.305062|10.222851|7.037185|4.097055|4.206825|4.411987|2.942580|2.420905|2.191410|2.281682|2.698793|3.176669|0.043186|0.046414|0.048359|0.057802|0.076195|0.071357|0.106500|0.109007|0.143864|0.132332|0.140471|0.205755|0.131235|0.128559|0.173042|0.215371|0.500000| |1.737746|3.280751|2.109559|2.332863|2.791908|2.977394|2.546014|2.185547|1.920032|4.403515|3.939642|4.067882|3.721107|6.367818|6.526509|4.759524|6.546879|0.145575|8.770383|6.891788|5.528154|4.849626|7.603635|0.126965|0.142981|8.994622|17.640518|7.036314|14.462058|6.884769|4.204055|4.143468|4.482687|2.948822|2.442985|2.196929|2.260874|2.640855|3.111931|0.044111|0.048422|0.049618|0.061197|0.084160|0.070750|0.107154|0.123692|0.215115|0.160429|0.122790|0.141266|0.126532|0.107401|0.213670|0.212737|0.303892|0.500000| |2.006617|3.731759|2.367386|2.632895|3.010971|3.014635|2.625263|2.366814|2.070369|4.593682|4.138971|4.618181|3.261694|5.106556|5.423204|5.463393|7.489786|0.242692|4.897483|3.905341|4.160787|3.170500|4.148892|0.072929|0.087074|3.289730|4.431731|9.418509|10.871323|26.087527|9.011596|6.357689|6.112556|3.519850|2.902623|2.453166|2.374957|2.677126|3.304963|0.050783|0.054144|0.059859|0.070451|0.089541|0.070034|0.144896|0.148954|0.107177|0.089855|0.109944|0.125296|0.080255|0.079962|0.082850|0.083912|0.135092|0.121452|0.500000| |1.824336|3.284713|2.029025|2.271978|2.504138|2.399441|2.113560|1.969574|1.743644|3.814300|3.573470|3.909012|2.513803|3.990374|4.060727|3.749771|4.296526|0.120222|3.317346|2.949289|2.834411|2.356101|3.184015|0.058024|0.066161|2.578061|3.239669|5.857981|9.060000|12.583095|17.565263|8.817474|9.708778|4.731602|3.909389|3.069130|2.801209|3.061683|3.902201|0.046553|0.049801|0.054802|0.063135|0.075954|0.055842|0.098808|0.113445|0.085763|0.070395|0.075604|0.082063|0.061655|0.060168|0.066925|0.068444|0.095485|0.095355|0.228251|0.500000| |1.824499|3.286084|2.052508|2.338963|2.641147|2.519036|2.167034|1.991030|1.742882|3.817707|3.598738|3.836327|2.710678|4.289445|4.542364|4.102862|4.694283|0.119019|3.713025|3.415864|2.974506|2.498749|3.427425|0.062401|0.069733|2.903971|3.723527|7.368370|13.590317|12.530064|17.657609|8.879122|9.716181|4.768980|3.851044|3.051712|2.827153|3.136348|4.032779|0.046255|0.050601|0.054231|0.065051|0.082521|0.057149|0.101036|0.130018|0.104962|0.080173|0.077986|0.083128|0.066446|0.062359|0.076529|0.077020|0.105283|0.117105|0.181531|0.302101|0.500000| |1.554331|2.844480|1.767705|1.949501|2.197314|2.198383|1.943221|1.766711|1.581705|3.545607|3.268733|3.475822|2.442325|4.037636|3.994211|3.371787|4.280874|0.113067|3.801978|3.237661|3.107709|2.682098|3.920250|0.070901|0.082427|3.401538|4.393063|6.078443|11.040724|9.529643|8.960927|17.595940|12.551965|6.925702|4.645683|3.732730|3.712215|4.609025|6.835828|0.039909|0.042923|0.045431|0.053103|0.066275|0.052762|0.083682|0.096580|0.097185|0.078317|0.077436|0.090239|0.069288|0.066957|0.085187|0.094985|0.136333|0.139856|0.155664|0.174435|0.217210|0.500000| |1.552109|2.843024|1.753291|1.909355|2.117640|2.123276|1.910237|1.754964|1.585767|3.554658|3.255175|3.536368|2.306061|3.807089|3.672874|3.180964|4.016375|0.115674|3.424065|2.853565|2.988865|2.539416|3.619770|0.065516|0.078019|2.950229|3.715872|5.192357|8.213580|9.638767|8.832475|17.431862|12.227579|6.753540|4.692303|3.740864|3.653501|4.409920|6.314299|0.040047|0.042362|0.045674|0.051954|0.062701|0.051948|0.082707|0.089235|0.081841|0.069642|0.075906|0.090383|0.064560|0.065056|0.073310|0.081386|0.119718|0.108094|0.184522|0.208905|0.173734|0.301698|0.500000| |1.495149|2.675750|1.625355|1.786581|1.937572|1.877667|1.690033|1.587724|1.435587|3.166757|2.990331|3.213062|1.978698|3.242772|3.107225|2.651334|3.009648|0.083103|2.589167|2.344274|2.263266|1.981406|2.777275|0.051666|0.058169|2.264040|2.706971|3.844716|6.692537|6.576950|7.442658|9.299106|25.986993|9.530528|7.565697|4.914772|4.096382|4.346600|5.879516|0.038702|0.041130|0.044309|0.049852|0.058118|0.045281|0.069540|0.078422|0.069012|0.058008|0.059453|0.065564|0.052094|0.051109|0.058860|0.062513|0.080519|0.081162|0.121872|0.221546|0.186370|0.181781|0.207255|0.500000| |1.279726|2.275830|1.364450|1.482198|1.583889|1.538243|1.405772|1.333577|1.222640|2.703232|2.578615|2.736729|1.611806|2.687326|2.470000|2.022773|2.229843|0.061283|2.019586|1.875584|1.807566|1.638431|2.322674|0.044101|0.048575|1.878622|2.141090|2.678085|4.831142|4.168621|3.949430|4.726832|9.942280|8.896561|17.696278|8.940438|5.637816|4.970141|5.651156|0.033463|0.035378|0.037622|0.041554|0.047094|0.037881|0.053426|0.059287|0.055201|0.047660|0.047643|0.051960|0.043500|0.042726|0.049441|0.052885|0.062875|0.063997|0.079463|0.112583|0.108551|0.115862|0.118831|0.226139|0.500000| |1.103909|1.969677|1.173900|1.258781|1.338444|1.315123|1.217623|1.157082|1.073845|2.391905|2.278786|2.401447|1.381989|2.342641|2.082472|1.660907|1.826177|0.050375|1.714439|1.598034|1.566754|1.455911|2.091968|0.040291|0.043967|1.675435|1.846030|2.108029|3.819566|3.151410|2.748200|3.276052|5.729360|5.634666|8.973222|17.714896|8.900663|5.668315|4.960114|0.029081|0.030544|0.032156|0.035120|0.039359|0.033122|0.044047|0.047831|0.046667|0.041395|0.041170|0.045095|0.038698|0.038330|0.044146|0.048009|0.054275|0.054599|0.061166|0.076182|0.075242|0.086721|0.087530|0.115941|0.216726|0.500000| |1.049001|1.890050|1.130828|1.204418|1.289658|1.286802|1.196626|1.128125|1.051882|2.366418|2.230507|2.341823|1.370426|2.353717|2.058189|1.616452|1.808463|0.049953|1.746994|1.610016|1.610508|1.521251|2.234812|0.043314|0.047423|1.790153|1.934624|2.054754|3.729784|3.002600|2.510165|3.082819|4.914463|4.914619|5.636604|8.879147|17.731370|8.907778|5.625067|0.027657|0.029013|0.030332|0.033272|0.037700|0.032877|0.042661|0.045774|0.046781|0.042120|0.041777|0.046621|0.040196|0.040150|0.046718|0.052438|0.057555|0.056936|0.058456|0.067241|0.067831|0.086188|0.085032|0.092748|0.124033|0.213924|0.500000| |1.131493|2.060098|1.245539|1.328194|1.442896|1.458893|1.349424|1.255036|1.165114|2.641034|2.453677|2.579689|1.583237|2.732863|2.403912|1.884883|2.182050|0.060222|2.144831|1.925225|1.963062|1.855425|2.799076|0.053798|0.060209|2.276098|2.473082|2.496030|4.527315|3.612622|2.956059|3.860966|5.663239|5.642042|4.970988|5.666159|8.937951|17.707418|8.945215|0.029685|0.031254|0.032639|0.036324|0.042191|0.037314|0.049169|0.052665|0.055876|0.050203|0.049861|0.057407|0.048388|0.048594|0.058068|0.068177|0.075557|0.072989|0.069759|0.075937|0.078239|0.114890|0.109076|0.099482|0.107803|0.124311|0.214647|0.500000| 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