Version2.4 2021-06-07T13:05:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 11-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc2c(c1)sc(n2)N3[C@H](C(=C(C3=O)[O-])C(=O)c4ccncc4)c5cccc(c5)OCC=C C33371698 RHF 6-31G(d) (6D,7F) COc1ccc2c(c1)sc(n2)N3[C@H](C(=C(C3=O)[O-])C(=O)c4ccncc4)c5cccc(c5)OCC=C C01[X(C27H20N3O5S1)] 162 C1 584 C=CCOc1cccc(c1)[C@@H]1N(c2nc3c(s2)cc(cc3)OC)C(=O)C(=C1C(=O)c1ccncc1)[O-] C=CCOc1cccc(c1)[C@@H]1N(c2nc3c(s2)cc(cc3)OC)C(=O)C(=C1C(=O)c1ccncc1)[O-] COc1ccc2nc(sc2c1)N3[C@@H](c4cccc(OCC=C)c4)C(=C([O-])C3=O)C(=O)c5ccncc5 InChIKey=HVDFAXSBMRONDE-QHCPKHFHSA-M InChI=1S/C27H21N3O5S/c1-3-13-35-19-6-4-5-17(14-19)23-22(24(31)16-9-11-28-12-10-16)25(32)26(33)30(23)27-29-20-8-7-18(34-2)15-21(20)36-27/h3-12,14-15,23,32H,1,13H2,2H3/p-1/t23-/m0/s1 InChI=1/C27H21N3O5S/c1-3-13-35-19-6-4-5-17(14-19)23-22(24(31)16-9-11-28-12-10-16)25(32)26(33)30(23)27-29-20-8-7-18(34-2)15-21(20)36-27/h3-12,14-15,23,32H,1,13H2,2H3/p-1/t23-/m0/s1/fC27H20N3O5S/h32h/q-1 COc1ccc2c(c1)sc(n2)N3[C@H](C(=C(C3=O)[O-])C(=O)c4ccncc4)c5cccc(c5)OCC=C C01[X(C27H20N3O5S1)] 162 C01 584 C=CCOc1cccc(c1)[C@@H]1N(c2nc3c(s2)cc(cc3)OC)C(=O)C(=C1C(=O)c1ccncc1)[O-] C=CCO[C]1[CH][CH][CH][C]([CH]1)[C@H]1[C]([C](=O)C(=O)N1C1=N[C]2[C]([CH][C]([CH][CH]2)OC)S1)[C](=O)[C]1[CH][CH][N][CH][CH]1 CO[C]1[CH][CH][C]2N=C(S[C]2[CH]1)N3[C@@H]([C]4[CH][CH][CH][C]([CH]4)OCC=C)[C](C(=O)[C]5[CH][CH][N][CH][CH]5)C(=O)C3=O InChIKey=PISNVCYUVHBNAY-QHCPKHFHSA-N InChI=1S/C27H20N3O5S/c1-3-13-35-19-6-4-5-17(14-19)23-22(24(31)16-9-11-28-12-10-16)25(32)26(33)30(23)27-29-20-8-7-18(34-2)15-21(20)36-27/h3-12,14-15,23H,1,13H2,2H3/t23-/m0/s1 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1.9117 1.4747 1.4528 5.6728 1.2909 2.2366 2.1475 1.9373 4.4032 3.1327 2.0617 5.0971 2.2782 3.0098 4.0468 2.4954 2.0179 2.0982 2.1536 1.2680 1.6969 1.7544 4.5314 1.2768 2.4674 2.6922 1.1268 2.3987 2.6576 2.2993 2.5223 2.7591 1.9495 1.3844 1.5758 1.9120 1.2735 4.8726 2.2104 3.7570 1.3270 1.7565 1.9249 1.0488 2.0094 1.9466 1.0873 1.2212 2.2560 11.5283 7.2263 6.1810 5.4392 8.3257 6.5350 5.7722 6.9338 4.3732 12.8443 13.0379 1.0587 1.0344 1.1053 1.1069 1.0858 1.1012 1.0607 1.0889 1.0912 1.0888 1.0956 1.0898 1.0938 1.0932 1.0928 1.0949 1.0922 1.0943 1.0948 1.1154 0.0004 0.0010 0.0020 0.0046 0.0050 0.0045 0.0056 0.0067 0.0144 0.0144 0.0190 0.0379 0.0278 0.0820 0.0231 0.0349 0.1082 0.1143 0.1495 0.1353 0.1430 0.1846 0.1784 0.2705 0.1265 0.2085 0.1110 0.1946 0.3515 0.2948 0.5773 0.7513 0.8700 0.6845 0.4004 0.3200 0.9662 0.4453 1.2040 0.6767 0.7970 0.4770 1.3973 2.1773 1.1512 1.2032 0.8627 1.4293 1.0393 1.7215 1.9314 1.3577 0.7209 2.4498 2.2111 1.9306 1.0679 1.2659 2.2406 1.8939 2.4197 1.5169 1.7633 1.5284 2.2116 1.1012 2.9691 0.7354 2.7613 1.1905 0.8264 0.8610 0.7305 1.0885 1.9173 1.6046 1.3700 0.8932 0.8971 3.6370 2.0698 0.9617 1.3498 1.0505 1.0738 4.2517 1.0094 1.7651 1.7505 1.6041 3.7338 2.6779 1.7695 4.4030 2.0351 2.7462 3.6963 2.3870 1.9572 2.0433 2.1142 1.2519 1.7517 1.8350 4.7737 1.3650 2.7125 2.9976 1.2924 2.8473 3.1718 2.7827 3.0563 3.3636 2.3974 1.7611 2.0653 2.6165 1.7727 6.9787 3.2025 5.5562 2.0112 2.7292 2.9962 1.6839 3.2339 3.1611 1.7756 2.0101 3.7356 20.5726 13.1492 11.3829 10.2522 16.1085 12.6924 11.2307 13.5084 9.1551 28.7430 30.7466 6.3350 6.2344 6.7972 6.9148 6.8708 7.1073 6.9073 7.1787 7.2101 7.2091 7.2708 7.3468 7.4013 7.3974 7.3962 7.4338 7.4356 7.4692 7.4722 7.6141 0.3115 0.1731 0.3584 0.0738 0.2651 0.9997 1.1675 0.8256 0.1904 5.3300 2.4306 1.2926 1.1907 0.2207 2.3542 1.4196 3.5949 5.0704 2.4903 0.9010 4.7608 7.6908 3.9163 1.9987 2.9453 0.0789 4.0794 1.2421 1.4864 0.5555 1.3751 4.8930 9.1403 7.8275 2.0494 0.2090 0.2401 1.6181 1.8442 3.1235 17.7926 1.9703 4.7067 24.0521 17.2629 6.9743 2.5182 5.2350 1.8211 5.6934 26.1925 5.0413 19.8600 47.4281 2.5615 21.1617 3.1650 17.3979 20.8672 6.4157 7.4188 31.0728 18.0733 101.2804 4.0774 4.2668 13.2159 36.4992 4.5544 19.2276 33.3407 0.2297 2.3031 21.4646 23.1672 3.4675 1.1294 0.8745 50.6020 0.7890 6.0783 0.7340 8.3728 7.2678 0.5106 30.8406 8.8266 4.4132 7.5671 3.1573 8.0344 58.2015 22.8433 111.6042 10.5097 35.6505 15.7750 132.3101 21.6597 29.7702 69.6941 2.9056 62.5764 94.4272 133.6921 0.7658 9.0819 68.8181 6.1783 381.4653 393.5788 89.3523 10.2553 329.1599 232.1251 2.8298 122.3668 509.9516 102.0609 505.1130 167.2119 64.2216 77.8984 130.1083 72.9964 2.8473 181.6675 66.3421 2.0122 4.7155 6.5121 474.4779 43.5452 25.8315 58.8198 363.0603 125.9720 78.3651 147.4851 3.7088 810.5565 428.6500 32.0283 68.2308 42.1268 64.2319 21.2014 66.3010 19.6010 52.5872 44.3203 23.7441 3.8221 11.2576 23.0555 12.7564 6.4141 20.6318 2.7462 23.0321 9.1573 28.5814 2.3878 1.1773 2.6687 4.2936 5.5922 2.1568 1.1923 3.7850 5.3729 0.5152 4.6430 1.2080 2.1035 0.8179 1.4457 4.8598 3.4457 0.7172 2.2991 1.3035 2.6771 0.5769 4.2615 5.8987 1.1255 2.3205 0.6606 2.1998 1.7504 1.5089 1.1468 1.0527 3.6604 0.6989 1.7003 0.2197 2.6546 0.0356 1.9883 1.1002 0.9708 1.3546 5.5868 1.0315 6.2173 5.4577 3.3635 0.3904 0.6007 2.1517 1.5433 7.9489 5.9574 3.7142 4.7112 8.0446 3.8529 3.2614 2.7569 2.9628 0.8367 4.4268 7.2168 2.3367 11.2584 3.9278 1.3617 0.9404 12.1194 0.8526 2.1225 1.8881 2.0471 0.9480 1.7705 12.9041 1.3220 1.5651 1.7734 21.9876 16.7827 1.0307 7.9118 5.1639 1.2759 2.7292 5.2408 0.4516 3.0102 4.7524 6.3404 11.2649 3.5455 2.9401 0.6723 10.2332 7.5828 6.7587 4.1730 14.2974 15.7648 4.8051 0.6811 15.5588 14.0898 7.3685 39.8287 34.0841 15.6898 62.1647 21.0872 29.1660 71.6795 4.9816 13.2907 4.0155 8.3493 11.0703 7.5335 25.9280 2.8698 12.6209 19.0151 24.9280 15.1690 29.1250 43.8057 0.7523 25.0555 4.9979 1.7653 360.8824 4.7129 135.9088 11.9480 100.1901 84.9540 10.2362 24.8734 43.7427 56.7383 89.7622 69.3067 119.4116 30.9452 48.6392 25.7853 176.2734 75.3234 109.3141 112.7726 79.3837 83.5930 35.5093 48.5272 59.4744 100.1545 135.5120 40.9173 81.1310 123.1562 84.9842 0.7422 0.7222 0.7487 0.7054 0.7499 0.7175 0.7434 0.7442 0.7489 0.7330 0.7500 0.7424 0.7089 0.7326 0.6442 0.7264 0.7500 0.7292 0.5658 0.7355 0.7387 0.6567 0.3521 0.3175 0.2974 0.3588 0.7436 0.1746 0.7444 0.7499 0.7060 0.3201 0.2849 0.7149 0.7391 0.4241 0.7268 0.7209 0.6874 0.7429 0.7437 0.3094 0.2738 0.6501 0.3580 0.4308 0.7489 0.7420 0.7168 0.4898 0.5251 0.5363 0.7248 0.3247 0.7350 0.1050 0.3233 0.4388 0.1843 0.5903 0.5961 0.3052 0.4923 0.6019 0.1249 0.1296 0.7315 0.7492 0.1240 0.5018 0.7500 0.5546 0.4678 0.7062 0.5626 0.1268 0.6359 0.7375 0.7472 0.0856 0.1314 0.2335 0.1898 0.1364 0.7469 0.6116 0.4926 0.6099 0.6394 0.3650 0.4041 0.3196 0.5991 0.2673 0.4882 0.4329 0.3680 0.4086 0.1586 0.4398 0.2408 0.7499 0.7178 0.3167 0.2446 0.4672 0.0961 0.1815 0.7375 0.1758 0.6105 0.3616 0.3041 0.3976 0.1814 0.5364 0.6781 0.7480 0.3794 0.5789 0.7423 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0.8357 0.4811 0.3931 0.6368 0.1753 0.3072 0.8489 0.2990 0.7582 0.5312 0.4663 0.5690 0.3071 0.6983 0.8082 0.8559 0.5501 0.7333 0.8521 0.5236 0.6047 0.5314 0.6939 0.8558 0.5400 0.7324 0.7077 0.8568 0.2788 0.4439 0.7676 0.6136 0.7791 0.6860 0.7574 0.7260 0.5295 0.3589 0.4028 0.2357 0.1345 0.0451 0.8288 0.8568 0.2247 0.6461 0.2312 0.8357 0.2771 0.6916 0.4643 0.8544 0.2168 0.6263 0.5032 0.2173 0.3786 0.4539 0.2097 0.7283 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 6 8 6 6 6 6 6 6 16 6 7 7 6 1 6 6 6 8 8 6 8 6 6 6 7 6 6 6 6 6 6 6 6 8 6 6 6 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 31.97207 12.00000 14.00307 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 14966.9725 24270.0588 33448.7664 0.99998 0.00052 0.00644 -0.00048 0.99998 -0.00623 -0.00644 0.00623 0.99996 1 0.00579 0.00357 0.00259 0.12058 0.07436 0.05396 17.10 23.09 35.98 51.39 55.48 62.64 69.53 71.49 91.05 101.68 115.17 133.80 141.86 159.57 160.88 197.96 254.22 275.20 294.35 303.94 316.72 333.26 354.51 382.15 391.89 395.05 420.24 445.44 465.13 501.38 525.71 536.58 556.60 599.38 615.93 639.88 662.20 705.53 716.55 723.32 755.10 762.81 796.04 821.87 874.99 894.88 916.98 953.23 959.64 993.60 1015.50 1023.65 1026.81 1042.83 1057.31 1082.62 1102.18 1149.60 1165.11 1168.04 1189.16 1232.96 1234.89 1253.61 1275.11 1279.96 1303.31 1322.29 1355.07 1376.98 1405.81 1425.78 1430.60 1441.23 1453.63 1460.92 1473.14 1530.03 1539.64 1556.92 1571.94 1573.64 1575.06 1582.01 1611.46 1622.75 1657.48 1665.15 1692.33 1705.62 1726.09 1733.04 1736.54 1742.14 1771.60 1790.49 1791.43 1833.25 1846.05 1849.75 1857.22 1862.52 1904.48 1917.00 1923.89 1938.06 1965.31 1977.87 2007.45 2042.19 2047.73 2062.07 2063.33 2069.61 2078.64 2114.12 2145.85 2192.71 2211.53 2243.24 2256.24 2279.47 2307.61 2336.47 2338.58 2375.07 2377.89 2388.60 2395.32 2404.83 2412.00 2503.98 2528.48 2543.69 2573.41 2607.26 2612.27 2614.58 2616.29 2712.08 2804.00 2878.49 4585.24 4601.76 4648.23 4685.01 4715.22 4761.91 4783.28 4812.70 4818.33 4823.22 4828.68 4866.78 4875.92 4875.97 4876.39 4884.21 4890.69 4896.99 4897.04 4897.37 0.452224 0.481514 0.482458 0.386885 -1968.817866 -1968.788575 -1968.787631 -1968.883204 3.205534D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE COc1ccc2c(c1)sc(n2)N3[C@H](C(=C(C3=O)[O-])C(=O)c4ccncc4)c5cccc(c5)OCC=C C33371698 RHF 6-31G(d) (6D,10F) C1 498.112368 |X|Y|Z| 107.433194 81.580325 41.853600 71.584486 27 6 7 16 23 3 1 |36.858105| |13.668593|73.516695| |8.008567|24.917251|36.858105| |6.738696|13.932048|13.670669|36.858105| |4.523184|9.204477|7.901966|13.748686|36.858105| |3.797927|8.187830|6.855246|7.947285|13.765639|36.858105| |4.005683|9.435967|8.008181|6.923775|7.954537|13.654900|36.858105| |5.270931|14.579661|13.738760|7.895788|6.815018|7.851744|13.791479|36.858105| |2.971062|6.575026|4.686873|4.248530|4.889149|7.403436|10.891400|6.736045|388.023441| |2.700853|5.652574|4.053749|4.160812|5.417357|8.684765|7.789208|4.981604|76.304312|36.858105| |2.980393|6.144036|4.581836|5.146942|7.742815|13.770525|8.109114|5.232054|52.108768|14.965668|53.358707| |2.263084|4.605241|3.140643|3.229867|4.009970|5.441216|5.027202|3.693780|49.321248|13.942300|11.200169|53.358707| |2.065050|4.080283|2.737463|2.921083|3.649845|4.524141|3.909363|3.047345|32.782304|7.669341|9.140890|17.578399|36.858105| |2.133442|4.180790|2.822820|3.088225|3.946657|4.774998|3.928697|3.076779|30.790575|7.129214|9.822292|12.515762|17.631558|0.500000| |1.796565|3.524003|2.297293|2.395427|2.852406|3.402496|3.130142|2.552915|26.913034|5.229204|6.095717|11.120718|12.521213|0.240821|36.858105| |1.779313|3.532456|2.284718|2.313944|2.690884|3.262980|3.174382|2.601346|29.262738|5.180326|5.600154|11.021377|7.872839|0.165555|13.516027|36.858105| |2.043152|4.153793|2.742671|2.728403|3.204650|4.125586|4.162103|3.251284|43.548014|7.828565|7.223950|18.796154|7.998845|0.170051|8.106277|12.388847|36.858105| |2.076956|4.281647|2.794853|2.687104|3.056352|3.924852|4.272252|3.408646|48.921527|6.707739|6.316333|11.387168|5.408964|0.126480|5.427385|7.739112|15.966458|73.516695| |1.629943|3.220833|2.045860|2.047350|2.323200|2.752457|2.742520|2.318677|24.924350|4.020018|4.493068|7.463289|5.268922|0.121388|7.881063|15.784965|8.019189|11.795998|73.516695| |1.613830|3.113169|1.996693|2.097919|2.457343|2.804001|2.570112|2.166696|21.014759|3.825966|4.786702|6.969448|7.291212|0.176793|13.329231|7.600167|5.093166|6.967070|11.002973|36.858105| 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|1.925234|3.762249|2.464013|2.599559|3.107437|3.638811|3.286877|2.700398|26.563479|5.000496|6.308626|8.380571|7.479789|0.155358|6.176474|5.198306|5.179623|7.416940|7.394604|5.122462|7.539601|4.590952|4.260553|3.509988|4.287721|3.276856|3.858609|13.625994|36.858105| |1.861706|3.586004|2.315127|2.457049|2.876130|3.215739|2.912364|2.477740|22.343375|3.913621|5.224191|5.935671|5.002492|0.116933|4.340601|3.803734|3.805829|5.828259|5.785468|3.961930|6.164411|3.807554|3.819502|3.308309|4.010088|2.944379|3.276068|7.936998|13.860352|36.858105| |1.902639|3.605255|2.326362|2.535834|2.984471|3.195661|2.801966|2.418334|20.342943|3.564784|5.085406|5.129329|4.402470|0.111087|3.705622|3.180660|3.205859|4.974265|4.879635|3.506605|5.435427|3.636923|3.763039|3.457071|4.258512|3.061190|3.257678|6.813658|7.894008|13.660508|36.858105| |2.024402|3.818475|2.500952|2.810448|3.424581|3.607712|3.011630|2.564711|21.235084|3.903704|5.913968|5.516226|4.992247|0.133877|3.934431|3.240722|3.287873|5.019767|4.873435|3.718844|5.562288|4.090837|4.132715|3.916989|5.006444|3.654981|3.829959|7.898136|6.872158|7.977836|13.799547|36.858105| |2.112273|4.045314|2.701836|3.042524|3.859271|4.269554|3.450064|2.825566|24.887487|5.024318|7.736598|7.375098|7.545912|0.206694|5.178243|3.997848|4.079670|5.956709|5.740853|4.642900|6.521486|5.131852|4.712856|4.265214|5.586491|4.370675|4.891155|13.828856|7.967431|6.925784|7.923912|13.666981|36.858105| |2.023434|3.735396|2.421263|2.781658|3.342026|3.319044|2.750481|2.407959|18.652326|3.303089|5.161536|4.502234|3.929259|0.111798|3.209692|2.698469|2.740950|4.284416|4.150148|3.119421|4.772390|3.549037|3.664845|3.741645|4.997751|3.563691|3.501386|5.280336|4.616036|5.197249|7.863250|14.025623|8.185527|73.516695| |1.869240|3.406468|2.158682|2.442326|2.812437|2.755048|2.365353|2.129024|16.056192|2.709592|4.111724|3.690601|3.105326|0.086782|2.670401|2.312884|2.332934|3.724275|3.646085|2.642900|4.181662|2.955600|3.154065|3.278096|4.310246|2.975456|2.877242|3.979185|3.790837|4.508189|6.718460|7.995969|5.262029|24.227158|36.858105| |1.823380|3.262870|2.043637|2.335169|2.642300|2.510184|2.158042|1.977656|14.402109|2.387660|3.655013|3.213104|2.669072|0.076629|2.330143|2.035486|2.051837|3.309479|3.242852|2.330848|3.724655|2.642182|2.813352|3.043913|4.169239|2.855229|2.661170|3.208151|2.987932|3.350656|4.423299|5.249717|4.105328|14.462515|12.700173|36.858105| |1.812952|3.198457|1.974165|2.248999|2.475715|2.312038|2.017007|1.885545|13.302644|2.146022|3.269880|2.848826|2.301613|0.065822|2.029648|1.809979|1.841340|3.014581|2.913215|2.015580|3.261428|2.237587|2.355332|2.522016|3.470269|2.407563|2.261074|2.697623|2.559823|2.858896|3.613256|4.033121|3.298906|9.769660|7.638184|14.460126|36.858105| |17.625512|17.021464|5.869216|4.905690|3.620102|3.184511|3.421326|4.419493|18.977310|2.398608|3.520599|2.785684|1.869973|0.053317|1.651367|1.647642|1.878944|3.422856|2.709246|1.491843|2.440657|1.481412|1.385567|1.353399|1.899629|1.487505|1.541562|1.857998|1.760131|1.707959|1.736130|1.827492|1.896086|3.241634|1.702247|1.663409|1.661651|0.500000| |17.544654|16.446819|7.031520|6.749210|4.594627|3.751266|3.814254|4.771852|20.274253|2.658302|4.042742|3.046929|2.067180|0.059168|1.788852|1.757280|2.005485|3.590789|2.854003|1.613462|2.615635|1.617646|1.517989|1.488159|2.090874|1.632918|1.684727|2.096950|1.972552|1.932873|1.998444|2.124955|2.183348|3.812069|1.995656|1.951229|1.958410|0.300018|0.500000| |17.544171|16.446218|7.026355|6.747912|4.592540|3.748559|3.809938|4.766969|20.260682|2.656137|4.041017|3.043640|2.061514|0.059965|1.793938|1.764356|2.011208|3.606128|2.869907|1.619236|2.623145|1.626692|1.511170|1.484858|2.109371|1.667241|1.719550|2.032099|1.880003|1.809000|1.858289|2.001610|2.104645|3.587426|1.854997|1.829281|1.815125|0.300040|0.299237|0.500000| |7.501591|12.493948|8.860992|17.759048|8.973312|5.666669|4.981647|5.623447|24.391263|3.429348|5.666718|3.790823|2.595857|0.076603|2.164639|2.076407|2.388178|4.163380|3.296712|1.932860|3.069331|1.966908|1.818870|1.788599|2.550922|2.027139|2.091854|2.612872|2.353365|2.263432|2.374340|2.636245|2.791384|4.768865|2.396256|2.344254|2.295610|0.146457|0.225801|0.225978|0.500000| |3.911190|7.417785|5.623728|8.893460|17.730468|8.944451|5.653534|4.922850|28.831444|4.819063|9.518134|5.171627|3.679463|0.113751|2.857414|2.619955|3.018357|4.999468|4.012771|2.510498|3.853654|2.612139|2.368545|2.322679|3.350657|2.722533|2.834245|3.740515|3.131985|2.935858|3.146679|3.754734|4.220405|6.767860|3.138012|2.996579|2.782881|0.088954|0.113188|0.113139|0.215957|0.500000| |4.876159|13.471283|8.949769|5.636732|4.923526|5.588305|8.838636|17.736652|43.907567|4.281627|5.756554|4.547605|2.749313|0.076007|2.374055|2.470828|3.076053|5.921385|3.988037|2.026109|3.267698|1.925328|1.743055|1.641385|2.268268|1.814461|1.971484|2.618674|2.483360|2.287486|2.205794|2.296680|2.503776|3.824036|1.929579|1.794450|1.719565|0.121259|0.119997|0.119878|0.123990|0.107041|0.500000| |1.435481|2.708067|1.707967|1.818903|2.092991|2.268588|2.060747|1.797147|15.876936|2.751629|3.678468|4.448633|4.260217|0.111812|4.918061|3.808553|3.112824|4.666204|6.176259|7.024019|12.205403|8.903852|17.748889|8.904811|7.743564|5.059853|5.684619|4.550638|4.377520|4.014643|3.829523|3.955372|4.300151|6.118503|3.055901|2.681281|2.266585|0.037032|0.040461|0.039974|0.047706|0.060869|0.046732|0.500000| |1.382877|2.560030|1.601907|1.736823|1.983290|2.064768|1.846402|1.641813|13.592553|2.316578|3.247236|3.513370|3.223942|0.091739|3.324004|2.702964|2.386911|3.693754|4.407691|4.095428|6.862350|5.657911|8.924864|17.685899|12.708147|5.927825|5.054546|3.469661|3.186666|3.125727|3.315645|3.644417|3.738623|6.345805|3.278035|3.079117|2.559698|0.035656|0.039201|0.038879|0.046488|0.059138|0.042451|0.214209|0.500000| |1.649696|3.056383|1.944699|2.157671|2.526566|2.602406|2.249189|1.975565|16.119643|2.833529|4.144727|4.160999|3.805400|0.126416|3.645865|2.930463|2.709798|4.167162|4.614195|4.061897|6.180568|5.656600|5.053750|5.923847|12.721112|17.683644|8.912076|3.530350|2.884307|2.618294|2.743670|3.278730|3.863801|5.861320|2.780244|2.747096|2.352015|0.041997|0.046021|0.047544|0.057633|0.077114|0.050171|0.109300|0.129950|0.500000| |1.767337|3.370574|2.183224|2.368641|2.833524|3.130971|2.731663|2.307016|20.804184|3.876481|5.344973|6.215253|6.175972|0.220772|6.289756|4.584948|4.025100|5.834070|6.806644|6.827565|9.121712|8.877996|5.675065|5.059619|7.754405|8.913347|17.733087|4.735718|3.672565|3.063427|3.004446|3.507422|4.547054|5.702453|2.639911|2.456838|2.122177|0.044900|0.048761|0.050414|0.061141|0.083165|0.058643|0.124140|0.109299|0.214905|0.500000| |1.848910|3.640475|2.363330|2.435439|2.853844|3.388799|3.196055|2.637495|27.261703|4.885051|5.755425|8.665608|6.944859|0.140329|6.641355|6.217721|6.029492|8.585799|8.890191|5.271093|8.067450|4.313478|3.932737|3.190923|3.895092|2.997525|3.582104|8.876505|17.737405|8.954995|5.628825|4.953434|5.660569|6.512216|3.134237|2.559434|2.240020|0.047310|0.052174|0.050006|0.061031|0.078256|0.068590|0.114878|0.080802|0.073744|0.096618|0.500000| |1.753759|3.372978|2.144753|2.238397|2.553990|2.834374|2.648345|2.299962|20.492862|3.395339|4.445980|5.099728|4.078806|0.096519|3.762435|3.469189|3.451058|5.459592|5.479356|3.495155|5.678441|3.288574|3.350350|2.924429|3.533525|2.570544|2.832587|5.642885|8.964335|17.700783|8.924516|5.670816|4.978034|7.447414|3.903718|2.988224|2.621266|0.045090|0.050570|0.047073|0.057579|0.071526|0.059919|0.100433|0.078345|0.064052|0.074054|0.216139|0.500000| |1.816285|3.403927|2.162456|2.347611|2.693150|2.813660|2.508887|2.220143|17.959390|3.015004|4.302949|4.255312|3.527644|0.090928|3.083898|2.720785|2.738605|4.354864|4.282583|2.979159|4.756207|3.100881|3.284354|3.109600|3.843406|2.711082|2.813425|4.923850|5.641424|8.906401|17.749624|8.869506|5.622932|12.454780|7.413568|4.692923|3.913486|0.046317|0.053359|0.049129|0.061939|0.078830|0.056723|0.094012|0.085412|0.068375|0.072227|0.124271|0.216365|0.500000| |2.183166|4.149065|2.787078|3.218213|4.178116|4.479317|3.488182|2.864629|24.302971|4.926727|8.137824|6.929435|6.978579|0.228597|4.818284|3.724369|3.819598|5.634734|5.391198|4.401102|6.170495|5.148796|4.583406|4.368363|6.137845|5.034047|5.457838|8.917989|5.646662|4.982259|5.664910|8.970124|17.748910|13.538318|4.893451|4.140389|3.326330|0.054094|0.062450|0.061284|0.082593|0.132688|0.069762|0.110886|0.104185|0.126956|0.143355|0.124024|0.107999|0.124208|0.500000| |1.936726|3.527520|2.226384|2.504129|2.842685|2.774337|2.410079|2.189746|16.232564|2.681757|4.048628|3.594927|2.928731|0.080578|2.516577|2.228123|2.284764|3.693846|3.528998|2.444588|3.899600|2.648873|2.777424|2.816467|3.694881|2.599079|2.565221|3.742155|3.704030|4.542591|6.710437|6.961540|4.706118|16.481502|17.538634|8.910088|7.234749|0.049035|0.057989|0.052836|0.068303|0.086770|0.055242|0.075873|0.077986|0.067979|0.066557|0.085915|0.112418|0.226565|0.118971|0.500000| |1.704740|3.119240|1.962258|2.181255|2.489545|2.487607|2.175672|1.958470|15.122308|2.538811|3.750091|3.546209|3.018345|0.083012|2.678235|2.313725|2.283930|3.636925|3.678570|2.714447|4.349895|3.046910|3.376444|3.518925|4.456036|2.985400|2.884399|3.870912|3.822087|4.671307|6.893841|7.229334|4.881665|16.590419|17.511107|8.941489|6.094406|0.043469|0.050159|0.046950|0.059151|0.075754|0.049827|0.092962|0.100648|0.076075|0.072287|0.088407|0.114720|0.225140|0.122680|0.300901|0.500000| 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