Version2.4 2021-06-07T04:46:22Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 12-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCN1[C@@H](C(=C(C1=O)[O-])C(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c3ccc(cc3)N(CC)CC C40110951 RHF 6-31G(d) (6D,7F) CCCCN1[C@@H](C(=C(C1=O)[O-])C(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c3ccc(cc3)N(CC)CC C01[X(C27H34N3O5S1)] 204 C1 612 CCCCN1C(=O)C(=C([C@H]1c1ccc(cc1)N(CC)CC)C(=O)c1ccc(cc1)S(=O)(=O)N(C)C)[O-] CCCCN1C(=O)C(=C([C@H]1c1ccc(cc1)N(CC)CC)C(=O)c1ccc(cc1)S(=O)(=O)N(C)C)[O-] CCCCN1[C@H](c2ccc(cc2)N(CC)CC)C(=C([O-])C1=O)C(=O)c3ccc(cc3)[S](=O)(=O)N(C)C InChIKey=MRSSCXWVSPHORQ-XMMPIXPASA-M InChI=1S/C27H35N3O5S/c1-6-9-18-30-24(19-10-14-21(15-11-19)29(7-2)8-3)23(26(32)27(30)33)25(31)20-12-16-22(17-13-20)36(34,35)28(4)5/h10-17,24,32H,6-9,18H2,1-5H3/p-1/t24-/m1/s1 InChI=1/C27H35N3O5S/c1-6-9-18-30-24(19-10-14-21(15-11-19)29(7-2)8-3)23(26(32)27(30)33)25(31)20-12-16-22(17-13-20)36(34,35)28(4)5/h10-17,24,32H,6-9,18H2,1-5H3/p-1/t24-/m1/s1/fC27H34N3O5S/h32h/q-1 CCCCN1[C@@H](C(=C(C1=O)[O-])C(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c3ccc(cc3)N(CC)CC C01[X(C27H34N3O5S1)] 204 C01 612 CCCCN1C(=O)C(=C([C@H]1c1ccc(cc1)N(CC)CC)C(=O)c1ccc(cc1)S(=O)(=O)N(C)C)[O-] CCCCN1C(=O)[C]([C]([C](=O)[C]2[CH][CH][C]([CH][CH]2)[S@@]([O])(=O)N(C)C)[C@H]1[C]1[CH][CH][C]([CH][CH]1)N(CC)CC)=O CCCCN1[C@H]([C]2[CH][CH][C]([CH][CH]2)N(CC)CC)[C](C(=O)[C]3[CH][CH][C]([CH][CH]3)[S]([O])(=O)N(C)C)C(=O)C1=O InChIKey=JDMZFQZZOGRSBA-XMMPIXPASA-N InChI=1S/C27H34N3O5S/c1-6-9-18-30-24(19-10-14-21(15-11-19)29(7-2)8-3)23(26(32)27(30)33)25(31)20-12-16-22(17-13-20)36(34,35)28(4)5/h10-17,24H,6-9,18H2,1-5H3/t24-/m1/s1 InChI=1/C27H34N3O5S/c1-6-9-18-30-24(19-10-14-21(15-11-19)29(7-2)8-3)23(26(32)27(30)33)25(31)20-12-16-22(17-13-20)36(34,35)28(4)5/h10-17,24H,6-9,18H2,1-5H3/t24-/m1/s1 4263.0543514123 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512.22192 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 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 10.1787 18.6173 22.0571 24.1276 30.5749 39.7526 44.7704 53.7377 63.1689 66.4027 68.8206 73.7681 86.0426 95.0509 96.0302 105.1777 125.3274 132.7596 136.8887 150.0983 155.6650 172.8065 186.2447 215.6578 220.4299 226.3957 235.1248 240.2136 249.6224 256.5981 262.3115 272.2408 300.1830 301.1263 303.1016 324.3468 340.8450 350.1740 360.3679 378.5409 389.5734 404.4557 410.0613 425.1687 434.8204 454.6850 457.6025 457.8621 469.6952 479.4358 506.5968 555.1331 562.5305 564.0296 579.5678 597.8373 609.2016 626.3071 651.0802 663.4847 689.3177 699.4462 747.3220 764.9063 767.6164 783.1855 792.3623 814.2839 831.3351 851.4814 855.4569 858.2450 863.9607 880.5651 883.9103 914.8127 914.9697 924.2186 941.0811 960.8250 972.2283 975.6107 976.3974 997.2223 1019.0913 1056.5774 1062.8430 1074.9128 1097.6484 1099.8654 1102.5498 1104.4788 1108.6228 1112.8897 1117.5246 1135.3588 1162.6889 1171.3369 1185.2432 1193.2839 1197.4551 1202.0913 1213.5594 1224.0915 1229.3240 1234.3766 1235.2082 1261.7017 1265.0331 1276.2077 1292.3917 1295.4613 1303.8282 1305.0370 1309.4824 1328.2082 1344.2103 1347.6888 1358.9823 1363.7384 1381.0780 1406.6106 1410.6716 1418.3092 1424.9536 1437.9917 1446.6081 1451.3510 1456.7901 1459.2991 1488.5784 1508.4229 1518.0326 1525.2975 1535.0749 1540.2614 1548.8957 1556.5945 1562.2494 1565.4276 1567.3368 1573.1738 1589.4533 1596.0809 1602.4122 1619.1098 1634.5237 1634.5921 1636.2263 1637.3435 1639.7157 1641.8070 1644.0041 1645.4704 1646.3323 1650.5745 1655.6209 1656.8412 1659.8883 1666.9745 1667.3144 1672.7894 1693.6790 1752.5831 1761.5410 1795.8202 1803.7852 1817.9625 1950.2948 1960.2572 3153.4136 3175.5496 3192.0225 3192.8286 3196.9775 3198.9313 3199.8191 3202.1430 3205.7805 3213.9579 3220.9274 3221.6707 3246.7831 3247.3506 3249.4682 3251.2134 3255.7730 3267.1952 3268.4996 3272.9510 3273.8408 3275.9266 3287.0566 3290.6560 3337.5081 3352.2796 3352.8168 3378.3620 3383.6387 3389.1042 3393.6170 3403.2895 3405.2317 3410.1234 4.4670 4.2525 3.7906 4.6491 4.2592 3.9703 5.9216 4.2979 4.8338 3.5759 3.1510 1.9687 3.3634 3.8585 6.6305 3.4505 3.8291 2.9014 4.3281 4.8445 4.6528 3.8757 4.1650 1.8739 1.1419 1.0451 1.2483 2.4559 3.6283 3.1668 1.2303 3.2190 4.6183 5.4464 5.0915 3.0818 3.4045 4.0405 3.5850 7.9148 3.6166 3.7108 5.0786 4.5283 5.1621 3.1959 3.4045 3.0505 5.0812 3.0730 6.2722 6.5368 2.9787 5.6667 5.0605 3.7306 3.1742 3.7772 7.2847 8.5040 7.0231 7.0287 4.6563 4.1135 4.5036 2.7495 1.3557 5.4868 3.0016 2.3742 1.1828 1.2844 2.0776 4.4847 4.1321 1.9262 3.2951 2.8361 1.8409 1.2941 1.8997 2.4192 1.8753 2.2504 1.2952 2.7685 1.5473 3.1091 1.8187 2.1399 2.0486 2.0001 2.5981 1.7459 2.0189 2.3063 3.6472 1.5071 1.8979 3.4557 1.7188 1.8598 2.0650 1.7045 2.1973 1.2191 2.6627 6.2753 2.7527 2.8306 1.3820 2.2463 1.7601 2.5558 1.6938 1.5674 2.2668 3.8648 3.2253 2.3991 2.0538 1.6117 1.5010 1.4010 2.0754 1.3386 1.3598 1.0964 9.7046 1.3173 1.4313 1.3672 1.5282 1.4270 2.1584 1.3191 2.6103 1.6679 1.2991 1.3391 1.3040 1.7019 1.1686 2.3503 3.5598 1.1711 1.0525 1.1258 1.0461 1.0956 1.0519 1.0461 1.0426 1.0536 1.0821 1.0489 1.0591 1.0918 1.0941 1.2093 1.7366 1.1090 2.3455 6.4997 5.7743 6.8364 8.1110 5.3529 12.7392 11.8708 1.0835 1.0607 1.0384 1.0458 1.0431 1.0430 1.0481 1.1005 1.0662 1.0598 1.0675 1.0637 1.1030 1.1014 1.1005 1.1017 1.1043 1.0957 1.0970 1.0942 1.0948 1.1066 1.1021 1.1027 1.0895 1.0985 1.0996 1.0895 1.0897 1.0916 1.0893 1.0929 1.0947 1.0958 0.0003 0.0009 0.0011 0.0016 0.0023 0.0037 0.0070 0.0073 0.0114 0.0093 0.0088 0.0063 0.0147 0.0205 0.0360 0.0225 0.0354 0.0301 0.0478 0.0643 0.0664 0.0682 0.0851 0.0513 0.0327 0.0316 0.0407 0.0835 0.1332 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6.3479 6.3022 6.2339 6.2816 6.2817 6.2883 6.3225 6.6486 6.4559 6.4497 6.5247 6.5045 6.8509 6.8429 6.8465 6.8615 6.8970 6.8909 6.9050 6.9063 6.9135 6.9970 7.0162 7.0349 7.1505 7.2736 7.2829 7.3261 7.3508 7.3871 7.3911 7.4579 7.4789 7.5078 0.4968 0.6144 0.4719 0.2229 0.0491 1.0459 2.5783 0.3265 4.4744 0.6336 1.6804 1.5990 2.0708 1.7632 2.0345 1.2571 0.2235 0.8170 1.9127 3.2719 1.3290 2.4725 0.3257 0.2013 0.3715 0.1747 0.2373 0.7974 1.0385 1.1214 0.2612 0.0780 0.6125 1.4466 0.6494 4.5679 0.5040 1.0350 2.1280 11.9534 5.6907 5.2477 1.5279 20.3938 14.2569 1.3165 2.3936 2.5370 13.9450 2.6501 1.0823 5.6963 10.3481 25.7349 13.3603 22.2468 19.6891 25.9387 33.5646 59.9624 0.6614 0.8642 91.1985 7.1009 95.1498 67.5931 13.3915 84.8857 72.1206 17.2976 5.8893 5.5537 11.7150 33.2220 28.3032 5.5723 22.8833 1.4659 34.8405 0.9301 23.9547 3.1026 1.8651 3.0323 0.2152 113.8737 2.6791 24.1616 3.2748 12.8857 7.3173 9.0759 8.0789 4.7472 3.8929 0.9283 2.3451 10.9500 13.9654 45.9940 4.6018 7.0990 7.8458 37.3434 2.9427 2.5585 30.8455 389.9086 47.5723 100.4121 5.5644 21.4128 6.4769 8.6701 13.0907 23.7627 9.0299 18.8838 57.7562 26.5674 109.6597 130.9785 6.6975 18.2176 37.7187 27.8312 16.9966 1.7336 192.5273 13.6643 59.6809 46.0258 163.8173 48.0898 632.4655 51.8744 134.9198 52.3466 14.2151 45.6106 36.3560 95.9092 3.8651 0.3652 450.0969 0.1514 0.5540 17.2238 0.9609 10.6435 3.1413 7.7360 3.3215 5.2725 1.0265 0.5679 13.2170 2.1744 6.0947 15.6646 5.7410 1.5410 194.4840 21.3754 18.3297 220.7134 236.0093 116.9622 590.3940 737.2975 57.7891 35.6544 40.0645 15.4411 24.0258 64.5408 52.6747 15.4716 27.0668 25.4391 94.5060 34.5358 15.0715 90.3060 6.7312 36.8371 23.3093 61.1413 6.8057 93.5091 38.9923 98.2186 20.9894 106.7800 23.5076 5.6656 5.8289 7.4708 6.8584 31.2642 1.0958 19.8109 5.8434 3.8977 0.7752 0.8446 1.2702 0.3444 0.9101 0.4491 1.2818 0.8603 1.8283 4.5300 1.7797 1.0783 0.6382 3.5870 0.3806 1.4488 0.9533 0.2196 0.5216 1.7021 0.4620 1.7736 0.7927 1.0793 0.3513 0.3548 0.6790 0.4393 2.0600 0.9953 0.1732 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 15648.5558 24339.3023 32797.7037 0.99982 -0.01660 -0.00936 0.01644 0.99972 -0.01680 0.00963 0.01665 0.99982 1 0.00553 0.00356 0.00264 0.11533 0.07415 0.05503 14.64 26.79 31.74 34.71 43.99 57.20 64.41 77.32 90.89 95.54 99.02 106.14 123.80 136.76 138.17 151.33 180.32 191.01 196.95 215.96 223.97 248.63 267.96 310.28 317.15 325.73 338.29 345.61 359.15 369.19 377.41 391.69 431.90 433.25 436.10 466.66 490.40 503.82 518.49 544.64 560.51 581.92 589.99 611.72 625.61 654.19 658.39 658.76 675.79 689.80 728.88 798.71 809.36 811.51 833.87 860.15 876.51 901.12 936.76 954.61 991.77 1006.35 1075.23 1100.53 1104.43 1126.83 1140.03 1171.57 1196.11 1225.09 1230.81 1234.82 1243.05 1266.94 1271.75 1316.21 1316.44 1329.74 1354.01 1382.41 1398.82 1403.69 1404.82 1434.78 1466.25 1520.18 1529.19 1546.56 1579.27 1582.46 1586.32 1589.10 1595.06 1601.20 1607.87 1633.53 1672.85 1685.29 1705.30 1716.87 1722.87 1729.54 1746.04 1761.19 1768.72 1775.99 1777.19 1815.31 1820.10 1836.18 1859.46 1863.88 1875.92 1877.66 1884.05 1911.00 1934.02 1939.02 1955.27 1962.12 1987.06 2023.80 2029.64 2040.63 2050.19 2068.95 2081.35 2088.17 2096.00 2099.61 2141.73 2170.28 2184.11 2194.56 2208.63 2216.09 2228.52 2239.59 2247.73 2252.30 2255.05 2263.45 2286.87 2296.40 2305.51 2329.54 2351.72 2351.81 2354.16 2355.77 2359.19 2362.19 2365.36 2367.46 2368.70 2374.81 2382.07 2383.82 2388.21 2398.40 2398.89 2406.77 2436.83 2521.58 2534.46 2583.78 2595.24 2615.64 2806.04 2820.37 4537.06 4568.91 4592.61 4593.77 4599.74 4602.55 4603.83 4607.17 4612.40 4624.17 4634.20 4635.27 4671.40 4672.21 4675.26 4677.77 4684.33 4700.77 4702.64 4709.05 4710.33 4713.33 4729.34 4734.52 4801.93 4823.18 4823.96 4860.71 4868.30 4876.17 4882.66 4896.57 4899.37 4906.41 0.621099 0.655953 0.656897 0.549624 -1976.745360 -1976.710506 -1976.709562 -1976.816834 3.597921D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CCCCN1[C@@H](C(=C(C1=O)[O-])C(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c3ccc(cc3)N(CC)CC C40110951 RHF 6-31G(d) (6D,10F) C1 512.221918 |X|Y|Z| 106.648647 82.611659 47.235806 74.660233 18 6 7 17 1 |36.858105| |12.462072|36.858105| |7.475866|12.455802|36.858105| |4.872262|7.496548|12.455927|36.858105| |3.781100|4.962165|7.647586|13.192380|53.358707| |3.146852|3.901443|5.325260|7.438052|17.735898|36.858105| |2.963373|3.721484|4.722953|6.864467|12.539856|17.487955|0.500000| |2.646052|3.121837|4.069001|5.107500|11.137522|12.516318|0.241178|36.858105| |2.712118|3.178783|4.185039|5.117556|11.122418|7.895625|0.167829|13.422937|36.858105| |3.364804|4.150315|5.900815|7.806319|19.195094|8.067147|0.173652|8.077787|12.375758|36.858105| |3.489012|4.239766|5.734846|6.779696|11.444513|5.424972|0.128681|5.404771|7.728887|15.845516|73.516695| |2.417240|2.747598|3.460337|3.986768|7.501424|5.281650|0.122852|7.884347|15.792984|7.970568|11.724715|73.516695| |2.245795|2.568975|3.173719|3.758201|6.984764|7.277420|0.175377|13.402286|7.587401|5.091578|6.957295|11.037215|36.858105| |2.025385|2.266266|2.743734|3.129622|5.549073|5.086771|0.125774|8.069925|6.424411|4.307299|6.237357|11.104225|15.684207|73.516695| |2.121374|2.420943|2.893929|3.407175|5.837827|6.234475|0.173457|7.514204|4.926132|3.931547|5.618568|7.427911|12.473210|14.648229|36.858105| |1.958609|2.178992|2.555165|2.868108|4.691685|4.626891|0.125534|5.222641|3.857872|3.195365|4.737711|6.116699|7.585377|11.802671|13.682847|36.858105| |1.819769|2.010824|2.293319|2.548213|3.980436|3.766935|0.107143|3.933421|3.074609|2.679887|4.076270|4.939964|5.021448|8.088074|7.899196|13.807389|36.858105| |1.807583|2.020445|2.269168|2.568681|3.923566|3.687366|0.111322|3.679196|2.902136|2.601384|3.980169|4.625946|4.425682|6.918480|6.855068|7.961437|13.693675|36.858105| |1.923852|2.197239|2.482184|2.916537|4.495394|4.326538|0.139499|4.244537|3.271135|2.941366|4.443737|5.108944|4.977498|7.372148|7.894206|6.872272|7.901283|13.739276|36.858105| |2.093663|2.426184|2.830371|3.433402|5.619725|5.826909|0.190310|6.041956|4.275225|3.674278|5.349949|6.451495|7.454193|9.867353|13.714940|7.956435|6.872926|7.961103|13.754662|36.858105| |1.628540|1.794206|1.957990|2.167052|3.184049|2.831278|0.085135|2.762007|2.296923|2.125144|3.339739|3.730297|3.139186|5.106936|4.193941|4.741385|6.961753|10.792662|6.970914|4.740134|388.023441| |1.563405|1.732048|1.867343|2.087766|3.028547|2.639168|0.081061|2.565067|2.171031|2.031093|3.221935|3.542861|2.851766|4.650416|3.671290|3.829795|4.951304|7.332277|6.453574|4.399747|94.573778|73.516695| |1.499059|1.627842|1.774323|1.929266|2.842680|2.483595|0.072518|2.485219|2.106283|1.932392|3.063791|3.481510|2.858728|4.824125|3.669510|4.393450|6.418388|7.329572|4.967500|3.832138|94.593779|13.618402|73.516695| |1.722537|1.888266|2.035939|2.218442|3.179677|2.797503|0.083915|2.612145|2.187644|2.080901|3.284719|3.517323|2.844730|4.559515|3.651491|4.045319|5.408795|6.936965|5.368695|4.031265|81.982294|13.719876|13.722364|53.358707| |1.863733|2.069880|2.205966|2.429821|3.403229|2.976280|0.091955|2.669650|2.239191|2.182256|3.446978|3.554775|2.801406|4.394859|3.525214|3.634330|4.434712|5.734947|5.315493|4.076040|51.111889|11.697535|8.905107|17.809621|36.858105| |1.759509|1.901496|2.059751|2.193409|3.150288|2.762409|0.080190|2.582108|2.169995|2.063535|3.258989|3.494547|2.808619|4.539017|3.524619|4.097034|5.376792|5.733952|4.401294|3.619708|51.086032|8.900979|11.689942|17.797739|7.788754|36.858105| |3.290286|3.921429|5.256927|6.081612|10.526170|12.457484|0.250351|7.359220|5.351449|5.459821|7.435265|7.228272|5.833145|7.809707|5.708507|4.832306|4.029573|3.815864|4.165788|5.097855|21.145648|4.756429|4.667243|4.183173|3.256450|3.169982|36.858105| |3.220178|3.813982|4.651679|5.218231|7.554300|7.487204|0.205261|5.050770|3.935517|4.100723|5.989504|5.647950|4.467098|6.290256|4.923023|4.428571|4.053170|4.034421|4.350245|4.847006|23.171949|5.187401|4.983853|4.857862|3.960811|3.693690|13.782502|36.858105| |3.104649|3.460428|3.988006|4.051462|5.613855|4.966879|0.133439|3.852452|3.181924|3.286914|5.018415|4.773788|3.596961|5.365793|3.967990|3.907502|3.753980|3.651036|3.666524|3.824610|22.294899|4.892989|4.924792|4.923933|3.945463|4.000222|7.841971|13.710648|36.858105| |3.059380|3.245384|3.781705|3.618153|5.131171|4.352298|0.110146|3.628831|3.092577|3.148034|4.870588|4.733262|3.432475|5.294090|3.620139|3.712181|3.481963|3.211933|3.127985|3.304580|19.779320|4.306624|4.559372|4.255821|3.226246|3.582396|6.687271|7.862438|13.657437|36.858105| |3.127051|3.320912|4.111487|3.894909|5.875629|4.974287|0.116660|4.302563|3.684943|3.679214|5.589077|5.592245|3.988147|6.161004|3.935735|3.977952|3.490548|3.113246|3.071138|3.401384|18.528576|4.058894|4.325704|3.790209|2.816305|3.109509|7.858933|6.951017|7.998049|13.572889|36.858105| |3.237488|3.620805|4.827403|4.876499|8.174889|7.464528|0.155823|6.179400|5.000484|4.918093|7.000810|7.130959|5.272926|7.668863|4.859371|4.533416|3.733304|3.347813|3.446645|4.064115|19.066278|4.230991|4.374356|3.770214|2.830055|2.967435|13.690769|8.077976|6.930314|7.850389|13.811231|36.858105| |2.773701|2.820526|3.122056|2.926591|4.051363|3.300662|0.085706|2.881861|2.540552|2.581031|4.115057|4.007473|2.790393|4.458302|2.947810|3.106752|3.025618|2.802664|2.667460|2.731514|18.134032|3.954863|4.285564|3.977449|2.968587|3.452381|4.489246|5.140060|7.819337|13.657908|7.797492|5.140205|53.358707| |2.524483|2.498812|2.761228|2.557082|3.589817|2.864887|0.073428|2.619602|2.367862|2.371759|3.835737|3.820777|2.572133|4.234516|2.651473|2.842019|2.740881|2.484303|2.341696|2.411087|16.178933|3.537315|3.934328|3.448523|2.502745|2.988787|3.696517|3.886062|5.064137|7.672461|6.569931|4.454192|17.920501|36.858105| |2.741465|2.603722|2.837474|2.522680|3.474673|2.654860|0.067503|2.433916|2.275067|2.329586|3.848468|3.705943|2.333333|3.876178|2.330167|2.428437|2.308399|2.123228|2.046644|2.134682|13.846353|3.095544|3.359954|2.901079|2.137144|2.426955|3.309092|3.363967|4.113412|5.703368|5.510774|4.004292|10.346250|12.441231|36.858105| |2.663742|2.688933|2.839290|2.674121|3.581728|2.868955|0.077132|2.489527|2.217229|2.282223|3.693087|3.521421|2.410517|3.865707|2.582812|2.695094|2.714271|2.608333|2.491354|2.483476|17.596474|3.893340|4.133853|3.993611|3.057503|3.456041|3.699014|4.444186|6.557452|7.682959|5.070219|3.892343|17.923294|7.748027|5.802760|36.858105| |2.237317|2.294226|2.412556|2.353524|3.195263|2.609521|0.071759|2.311627|2.039599|2.058685|3.327446|3.266561|2.302570|3.719915|2.543906|2.721432|2.861699|2.779296|2.577009|2.479586|19.573519|4.264321|4.639447|4.652525|3.492084|4.247739|3.254249|3.929672|5.422085|5.626948|4.055867|3.313854|10.379760|5.709624|4.255263|12.450146|36.858105| |17.537409|8.782417|6.784741|4.507712|4.987832|3.003890|0.077370|2.604342|2.743740|3.418744|6.523992|4.416903|2.207556|3.581895|2.049736|1.894032|1.746208|1.720630|1.826655|2.001142|10.986371|2.635178|2.546619|2.200410|1.729166|1.653089|3.080421|2.920900|2.801689|2.821926|2.972947|3.107254|3.497067|2.398823|2.635275|2.427689|2.058343|0.500000| |17.526774|8.755314|5.450776|4.043409|4.356278|2.736632|0.073174|2.333031|2.379258|2.884926|5.333945|3.817357|2.015157|3.253271|1.926728|1.789262|1.682201|1.683732|1.788689|1.921827|10.934237|2.642755|2.519130|2.221127|1.772433|1.660002|2.840563|2.845873|2.778070|2.711906|2.711058|2.769538|3.425378|2.299037|2.488684|2.480406|2.112552|0.301383|0.500000| |17.532132|8.777136|6.778441|4.500066|4.972509|3.156970|0.081803|2.646340|2.659847|3.208715|5.735100|4.204425|2.271408|3.639787|2.164447|2.024761|1.885985|1.859453|1.955939|2.116106|11.936227|2.837062|2.755646|2.440472|1.933413|1.855322|3.462522|3.439009|3.440969|3.477484|3.512690|3.502157|4.338683|2.889437|3.209019|3.053861|2.489317|0.301771|0.301360|0.500000| |8.865934|17.489366|8.840496|6.877155|6.285309|3.865248|0.106325|3.023212|2.969379|3.733217|6.522920|4.543260|2.528954|3.934464|2.449684|2.211130|2.069839|2.107105|2.297616|2.499698|13.419745|3.249058|3.016254|2.741154|2.246048|2.019072|3.983982|4.122836|3.762868|3.390285|3.319977|3.554831|4.015589|2.547752|2.607665|2.886211|2.466120|0.173064|0.212619|0.210849|0.500000| |8.866978|17.503858|8.851089|6.900956|6.314752|3.594899|0.097128|2.961111|3.086424|4.073163|7.751626|4.812715|2.442022|3.861853|2.287665|2.044727|1.889936|1.912062|2.096349|2.316748|12.116057|2.956671|2.749316|2.414696|1.943349|1.766961|3.432803|3.309418|2.970715|2.777542|2.855691|3.145897|3.324436|2.194155|2.272532|2.343370|2.047134|0.210973|0.212630|0.173034|0.303645|0.500000| |6.841221|8.842419|17.560674|8.928433|9.567379|4.798739|0.115242|3.985483|4.384657|6.398146|12.217850|6.615565|3.104225|4.880293|2.745326|2.435385|2.164877|2.116780|2.299158|2.636400|12.985454|3.095675|2.975974|2.552009|2.000164|1.902005|4.577228|3.902919|3.422121|3.378453|3.811061|4.486132|3.876872|2.606224|2.724430|2.563446|2.196899|0.203064|0.139936|0.168384|0.173440|0.211764|0.500000| |6.848095|8.840156|17.541274|8.868563|9.465123|5.508611|0.131572|4.141926|4.067312|5.276090|8.583305|5.963171|3.289918|5.030754|3.040390|2.733517|2.449385|2.391827|2.573126|2.916208|14.634453|3.436504|3.324403|2.948104|2.335609|2.229206|6.228097|5.498565|4.848225|4.726047|5.217375|6.016664|5.135695|3.275232|3.375007|3.336371|2.745100|0.168768|0.139982|0.203127|0.211277|0.173514|0.302749|0.500000| |4.527109|6.845630|8.839507|17.553352|12.600125|7.301858|0.214543|4.748006|4.388657|5.805254|8.877452|6.180372|3.660940|5.351711|3.511443|2.958473|2.683969|2.766438|3.180310|3.674972|16.673790|4.032660|3.649963|3.318076|2.737503|2.386918|6.396385|6.163146|4.585829|3.838472|3.913151|4.753966|4.193119|2.615855|2.530685|2.873013|2.544899|0.111220|0.108316|0.119481|0.206034|0.170707|0.174358|0.212385|0.500000| |4.557195|6.914143|8.876853|17.557468|12.584772|5.781143|0.157726|4.471986|4.745806|7.301698|12.961053|6.861102|3.385180|5.139589|3.058037|2.578012|2.312379|2.353630|2.688137|3.136772|14.302139|3.499103|3.193584|2.773743|2.230175|1.992711|4.614581|4.104242|3.319734|3.001205|3.197041|3.867510|3.418071|2.234189|2.219476|2.334471|2.089307|0.120306|0.109048|0.111653|0.171876|0.209295|0.213849|0.174110|0.302317|0.500000| |1.925638|2.111143|2.486123|2.721632|4.465501|4.236023|0.109665|4.958329|3.829019|3.123205|4.672945|6.236679|7.133681|12.596266|8.951862|17.748827|8.930522|5.652892|4.954924|5.666957|27.820827|5.715829|6.831237|4.715175|3.109500|3.655168|4.516598|4.002679|3.664076|3.685776|4.120166|4.616968|4.259403|2.961615|2.533285|2.656779|2.653041|0.052194|0.048716|0.055558|0.058836|0.054904|0.066843|0.074383|0.076399|0.067994|0.500000| |1.706878|1.857765|2.095595|2.277163|3.498185|3.192118|0.089324|3.320991|2.699713|2.381625|3.683030|4.419497|4.099312|6.930247|5.625989|8.916888|17.747064|8.903783|5.634893|4.954633|47.229246|8.136024|13.066257|7.264578|4.122330|5.764957|3.482317|3.536689|3.448368|3.311668|3.287112|3.368949|4.067032|2.768350|2.306428|2.692096|2.901650|0.045609|0.044022|0.049395|0.053041|0.048455|0.055272|0.062424|0.066223|0.057658|0.214409|0.500000| |1.865803|2.137469|2.366015|2.789592|4.165245|3.833959|0.126774|3.663365|2.944186|2.726962|4.194132|4.639481|4.058548|6.166310|5.624505|4.954719|5.633502|8.919625|17.746744|8.896246|47.282010|13.213429|8.176002|7.161057|5.620237|4.070592|3.638116|3.895888|3.327119|2.814393|2.721226|3.012528|3.324773|2.142672|1.894704|2.336706|2.429612|0.049014|0.048633|0.052348|0.062632|0.057165|0.060630|0.067272|0.085552|0.072650|0.107619|0.124109|0.500000| |2.170923|2.562105|2.991171|3.777812|6.217642|6.287133|0.225054|6.391410|4.641575|4.064735|5.885104|6.892697|6.907481|9.178592|8.929174|5.656519|4.953767|5.660094|8.938978|17.735237|27.855525|6.857486|5.726078|4.701279|3.636147|3.096466|4.912893|4.588329|3.545688|3.052477|3.158715|3.830679|3.445919|2.238872|2.023062|2.325448|2.289115|0.057667|0.055385|0.060100|0.073174|0.068921|0.077296|0.083432|0.112446|0.097872|0.124600|0.107587|0.214889|0.500000| |1.844055|2.024491|2.122433|2.292427|3.150759|2.687235|0.081726|2.397605|2.049004|2.024466|3.233532|3.270009|2.475545|3.925334|3.002841|3.105870|3.669625|4.392598|4.100429|3.357067|38.252980|8.938489|7.516780|12.564855|17.586048|7.189539|2.979536|3.651773|3.813855|3.151590|2.692817|2.641500|4.078936|2.516469|2.151501|3.211247|3.794310|0.047306|0.049078|0.053427|0.061431|0.052634|0.053375|0.062634|0.071697|0.058551|0.076131|0.097969|0.119057|0.085190|0.500000| |2.074917|2.338069|2.522895|2.816298|3.952257|3.544914|0.111523|3.070619|2.522543|2.474224|3.855926|3.933117|3.173288|4.844391|4.047725|4.048911|4.761624|6.079806|6.029371|4.751946|44.056692|9.833290|7.890335|12.218185|17.509004|6.895902|3.961518|5.081339|4.906946|3.777857|3.253506|3.313278|4.545649|2.738123|2.327951|3.385741|3.742178|0.053144|0.054342|0.059912|0.070959|0.060449|0.062725|0.074741|0.089783|0.070655|0.094687|0.117670|0.170586|0.117152|0.300073|0.500000| |1.779940|1.987129|2.102951|2.343722|3.271192|2.825823|0.088704|2.561053|2.169498|2.116217|3.362357|3.463610|2.682743|4.232675|3.343869|3.349411|4.014788|5.368445|5.344629|4.009980|49.065098|13.882788|8.392381|12.437935|17.671224|5.659538|2.970938|3.504635|3.371746|2.799542|2.508336|2.568230|3.501020|2.207881|1.924278|2.637177|2.934070|0.045999|0.047268|0.050749|0.059818|0.052460|0.053173|0.060886|0.073275|0.060683|0.079510|0.102471|0.172924|0.102126|0.301597|0.298821|0.500000| |1.632558|1.750115|1.898934|2.010914|2.912721|2.532366|0.072507|2.434527|2.066334|1.941350|3.080806|3.371874|2.695309|4.460899|3.345742|4.029572|5.398548|5.373570|4.000314|3.343087|49.076453|8.389950|13.879888|12.435795|5.660173|17.671468|2.862569|3.201464|3.431283|3.216182|2.882760|2.749399|4.286124|2.839554|2.315923|3.096769|3.752645|0.042962|0.042811|0.047739|0.051096|0.045387|0.049281|0.056883|0.059894|0.051086|0.102567|0.177374|0.101785|0.079349|0.146625|0.140996|0.127305|0.500000| |1.924468|2.088018|2.296440|2.443185|3.545047|3.175393|0.091070|2.929027|2.417085|2.293023|3.579702|3.844852|3.182975|5.052985|4.043880|4.783527|6.123793|6.071132|4.710862|4.024425|43.996675|7.884965|9.814675|12.212215|6.900340|17.513170|3.797396|4.517433|5.024947|4.451549|3.778403|3.559283|5.665176|3.493862|2.757984|4.013460|4.841234|0.050130|0.049956|0.056745|0.061520|0.053370|0.058611|0.070018|0.073967|0.060722|0.118047|0.176315|0.115852|0.094079|0.172668|0.200875|0.140989|0.298791|0.500000| |1.743896|1.868025|1.992556|2.093270|2.949065|2.528160|0.073244|2.333641|1.995735|1.929537|3.078518|3.222609|2.479209|4.023180|3.000958|3.371635|4.138013|4.390984|3.641640|3.091824|38.255678|7.516336|8.942888|12.563246|7.182813|17.586098|2.911700|3.439678|3.856828|3.468428|2.936487|2.747243|4.735287|2.995262|2.438276|3.665600|4.789330|0.045299|0.046018|0.051301|0.055462|0.048123|0.050963|0.059973|0.063472|0.052965|0.085613|0.121482|0.096684|0.075749|0.221089|0.172234|0.146609|0.301703|0.299983|0.500000| |3.072831|3.728957|4.345866|5.191773|7.172291|6.952371|0.227523|4.702446|3.699801|3.895993|5.762037|5.347928|4.193653|5.913216|4.786056|4.167303|3.960965|4.218042|4.807286|5.209738|24.502968|5.645284|5.096240|5.165214|4.469301|3.723022|8.948023|17.679121|8.974182|5.630146|4.989698|5.697903|5.689811|3.260141|2.872478|3.891492|3.605493|0.076832|0.076963|0.088935|0.115394|0.092121|0.100530|0.133464|0.184300|0.117140|0.101286|0.094681|0.124207|0.141708|0.112526|0.166679|0.111730|0.088168|0.122352|0.096585|0.500000| |2.901029|3.199002|3.493348|3.555043|4.763924|4.083670|0.115113|3.262992|2.750222|2.848970|4.444318|4.202138|3.104633|4.719123|3.492140|3.482693|3.514961|3.546566|3.526161|3.505425|22.823810|5.044787|4.994733|5.312845|4.435385|4.334478|5.635525|8.982724|17.751888|8.857745|5.652836|4.985660|9.644316|4.622460|3.768437|7.334576|6.508652|0.072060|0.073936|0.088912|0.099072|0.077248|0.083500|0.113577|0.113781|0.083479|0.089737|0.091119|0.091461|0.090687|0.124141|0.153943|0.102762|0.100034|0.148325|0.121141|0.219770|0.500000| |2.945620|3.016891|3.657737|3.375363|5.062219|4.088730|0.096797|3.775817|3.386785|3.342443|5.218569|5.322786|3.573976|5.772343|3.441384|3.558087|3.135815|2.764193|2.692431|2.956395|16.767996|3.685777|4.004230|3.394475|2.480767|2.801263|5.643822|4.997227|5.657476|8.833796|17.765133|9.037177|9.627182|7.398185|6.583024|4.635673|3.733551|0.079519|0.071307|0.092281|0.082252|0.072881|0.097967|0.125590|0.091972|0.079173|0.106128|0.084138|0.066736|0.076611|0.066439|0.077610|0.061926|0.073839|0.092428|0.074040|0.108224|0.123603|0.500000| |3.102851|3.425206|4.622341|4.640263|8.243193|6.949221|0.140795|6.798310|5.909861|5.502208|7.764353|8.489849|5.655120|8.549765|4.688199|4.329720|3.465062|3.069658|3.170012|3.806208|17.505471|3.922617|4.079030|3.374616|2.500333|2.629258|8.938939|5.708813|4.982311|5.619107|8.987214|17.722826|5.684964|3.898530|3.661788|3.265030|2.835352|0.085328|0.073592|0.091587|0.090480|0.084463|0.127551|0.152067|0.118743|0.105437|0.127707|0.087498|0.077177|0.101192|0.064785|0.079558|0.064065|0.069050|0.085540|0.067547|0.124812|0.108087|0.220129|0.500000| |2.252860|2.225140|2.409173|2.259629|3.153950|2.516119|0.065675|2.326356|2.109262|2.101810|3.425088|3.438521|2.318125|3.855792|2.423503|2.629666|2.603048|2.374215|2.208764|2.231093|15.887290|3.468134|3.916359|3.424769|2.457109|3.018159|3.143878|3.358794|4.297848|5.761534|4.884112|3.619745|12.605828|17.541640|8.881444|7.512755|6.298753|0.059485|0.057940|0.070811|0.063437|0.054954|0.063305|0.077525|0.064606|0.055643|0.075806|0.074395|0.056564|0.057422|0.069595|0.073221|0.060082|0.080591|0.096035|0.085781|0.080939|0.115473|0.146668|0.089732|0.500000| |2.389844|2.397002|2.706806|2.548057|3.681575|2.987096|0.075507|2.806775|2.520320|2.463935|3.949436|4.085988|2.808071|4.669731|2.877484|3.152784|2.987038|2.627722|2.449427|2.546434|16.797370|3.632404|4.130248|3.504296|2.491431|3.047984|3.851381|3.876696|4.810115|7.222802|7.231952|4.849659|12.497537|17.600580|8.828540|5.740247|4.782845|0.063920|0.060126|0.074706|0.067112|0.059011|0.071925|0.088490|0.071621|0.061889|0.093814|0.084499|0.061379|0.064972|0.068387|0.075641|0.061198|0.081878|0.099960|0.082674|0.089559|0.117774|0.249895|0.120491|0.306123|0.500000| |3.119534|2.937189|3.272770|2.829369|3.901120|2.927017|0.073004|2.665370|2.518705|2.613794|4.319876|4.077204|2.500676|4.131105|2.442916|2.499101|2.326506|2.140331|2.094082|2.223464|13.718417|3.084957|3.300304|2.839133|2.108936|2.334593|3.674085|3.608384|4.279064|5.982881|6.402140|4.618828|9.273184|8.759594|17.582413|5.075358|3.749113|0.083997|0.076868|0.103007|0.080265|0.070293|0.088043|0.110821|0.077555|0.068402|0.072525|0.063632|0.053722|0.059012|0.058373|0.064466|0.053105|0.061618|0.073968|0.064361|0.084289|0.104907|0.223470|0.118577|0.173181|0.208739|0.500000| |2.809657|2.619117|2.764004|2.436559|3.274405|2.471305|0.063816|2.237832|2.101802|2.183784|3.643104|3.423864|2.132257|3.530747|2.144078|2.212787|2.131531|1.996764|1.936561|2.001913|13.218169|2.983517|3.191910|2.798891|2.088548|2.324853|3.033294|3.168509|3.892903|5.048466|4.579400|3.504843|9.296134|8.773901|17.543897|6.176695|4.371984|0.074055|0.071932|0.092564|0.073716|0.063345|0.073000|0.090540|0.068535|0.059957|0.063175|0.059026|0.050373|0.053099|0.059149|0.062930|0.052373|0.061188|0.072434|0.065921|0.076756|0.103021|0.139984|0.088556|0.212043|0.172857|0.302104|0.500000| |2.449697|2.316726|2.514323|2.256360|3.136089|2.386693|0.060781|2.243311|2.121665|2.147053|3.577658|3.511490|2.176742|3.679419|2.159619|2.269350|2.158765|1.973242|1.891659|1.969712|12.945780|2.899105|3.182860|2.680706|1.951081|2.238513|2.886501|2.880758|3.393210|4.457691|4.517623|3.473403|7.559394|8.795124|17.523985|4.534845|3.639710|0.066524|0.062330|0.078168|0.063867|0.057069|0.068283|0.081095|0.062329|0.055923|0.066547|0.060538|0.048686|0.051846|0.054467|0.058321|0.049138|0.060299|0.069716|0.062329|0.069527|0.087313|0.153160|0.091500|0.213724|0.213375|0.300808|0.301289|0.500000| |2.600064|2.547207|2.641004|2.439603|3.243206|2.535480|0.067852|2.237199|2.033715|2.102657|3.453534|3.268853|2.161765|3.516344|2.276494|2.369794|2.374723|2.278326|2.183567|2.185284|15.513756|3.473633|3.695046|3.457942|2.626047|2.949232|3.164638|3.630504|4.895402|5.797476|4.331983|3.386786|12.574432|7.590395|6.474657|17.542268|8.893316|0.066248|0.067937|0.083520|0.075174|0.061908|0.067187|0.085390|0.071705|0.059908|0.065636|0.065926|0.057281|0.057357|0.076822|0.079155|0.064147|0.075192|0.092256|0.087159|0.089900|0.145754|0.116540|0.081568|0.222291|0.149376|0.147401|0.216056|0.140568|0.500000| |2.967265|3.023867|3.132053|2.935488|3.821025|3.024932|0.082359|2.550707|2.274531|2.389605|3.872179|3.579118|2.421477|3.837242|2.588266|2.629658|2.636270|2.592985|2.537254|2.538246|17.430004|3.922838|4.012812|3.963939|3.153034|3.305069|3.894685|4.887056|7.288697|7.309475|4.858899|3.918513|12.478586|5.777114|4.904048|17.590288|8.832180|0.073412|0.076971|0.095158|0.092555|0.072284|0.076732|0.102660|0.089425|0.070735|0.070893|0.071252|0.066876|0.066939|0.092452|0.098757|0.076077|0.080881|0.105550|0.097220|0.121191|0.247007|0.118793|0.090392|0.148800|0.128234|0.128171|0.148147|0.108007|0.305906|0.500000| |2.213780|2.322771|2.470886|2.472432|3.391182|2.841213|0.079260|2.499574|2.162780|2.164211|3.458667|3.438157|2.515961|4.018194|2.859753|3.082194|3.319356|3.264896|2.986059|2.817605|23.107344|4.935139|5.366468|5.748013|4.335038|5.465488|3.569137|4.473809|6.230221|5.856136|4.181578|3.516061|9.301438|4.981579|3.736147|8.771512|17.579905|0.056529|0.057846|0.067552|0.069708|0.057829|0.062102|0.077680|0.075213|0.060766|0.081752|0.092941|0.077822|0.071264|0.131396|0.130925|0.097227|0.126659|0.180558|0.173944|0.115552|0.221080|0.103238|0.082440|0.143682|0.124259|0.095121|0.103239|0.089777|0.173385|0.209353|0.500000| |2.050991|2.086274|2.208632|2.153421|2.966276|2.421275|0.065976|2.199661|1.951279|1.943525|3.150439|3.158578|2.224166|3.648049|2.447885|2.675761|2.824676|2.681998|2.441069|2.348966|19.013984|4.099747|4.644067|4.429818|3.180580|4.152660|2.978353|3.443508|4.521268|4.984287|3.831621|3.114991|9.355479|6.034974|4.328876|8.785451|17.547166|0.053134|0.053781|0.063099|0.061348|0.052120|0.056748|0.069392|0.063695|0.053473|0.073750|0.081548|0.063485|0.059858|0.094549|0.092546|0.074988|0.106682|0.129559|0.128865|0.087299|0.139278|0.101855|0.075565|0.207457|0.143467|0.102639|0.120522|0.106540|0.212023|0.172950|0.302146|0.500000| 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