Version2.4 2021-05-21T04:40:02Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 29-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cn1c(nnn1)SCC[NH2+]Cc2cc(c(c(c2)Br)OCc3ccccc3Cl)OC C16363645 RHF 6-31G(d) (6D,7F) Cn1c(nnn1)SCC[NH2+]Cc2cc(c(c(c2)Br)OCc3ccccc3Cl)OC C01[X(C19H22Br1Cl1N5O2S1)] 147 C1 502 COc1cc(C[NH2+]CCSc2nnnn2C)cc(c1OCc1ccccc1Cl)Br COc1cc(C[NH2+]CCSc2nnnn2C)cc(c1OCc1ccccc1Cl)Br COc1cc(C[NH2+]CCSc2nnnn2C)cc(Br)c1OCc3ccccc3Cl InChIKey=IHPJUURHVCUCNV-UHFFFAOYSA-O InChI=1S/C19H21BrClN5O2S/c1-26-19(23-24-25-26)29-8-7-22-11-13-9-15(20)18(17(10-13)27-2)28-12-14-5-3-4-6-16(14)21/h3-6,9-10,22H,7-8,11-12H2,1-2H3/p+1 InChI=1/C19H21BrClN5O2S/c1-26-19(23-24-25-26)29-8-7-22-11-13-9-15(20)18(17(10-13)27-2)28-12-14-5-3-4-6-16(14)21/h3-6,9-10,22H,7-8,11-12H2,1-2H3/p+1/fC19H22BrClN5O2S/h22H/q+1 Cn1c(nnn1)SCC[NH2+]Cc2cc(c(c(c2)Br)OCc3ccccc3Cl)OC C01[X(C19H22Br1Cl1N5O2S1)] 147 C01 502 COc1cc(C[NH2+]CCSc2nnnn2C)cc(c1OCc1ccccc1Cl)Br CO[C]1[CH][C]([CH][C]([C]1OC[C]1[CH][CH][CH][CH][C]1Cl)Br)C[NH2]CCS[C]1[N][N][N][N]1C CO[C]1[CH][C]([CH][C](Br)[C]1OC[C]2[CH][CH][CH][CH][C]2Cl)C[NH2]CCS[C]3[N][N][N]N3C InChIKey=TXGQERBQQCXODI-UHFFFAOYSA-N InChI=1S/C19H22BrClN5O2S/c1-26-19(23-24-25-26)29-8-7-22-11-13-9-15(20)18(17(10-13)27-2)28-12-14-5-3-4-6-16(14)21/h3-6,9-10H,7-8,11-12,22H2,1-2H3 InChI=1/C19H22BrClN5O2S/c1-26-19(23-24-25-26)29-8-7-22-11-13-9-15(20)18(17(10-13)27-2)28-12-14-5-3-4-6-16(14)21/h3-6,9-10H,7-8,11-12,22H2,1-2H3 3347.8044120151 -4580.8460033 1-A 31442.3125 127 375 502 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.16549 -104.88644 -92.10512 -64.57640 -58.71585 -58.71375 -58.71365 -20.70677 -20.68075 -15.87447 -15.77038 -15.74135 -15.72623 -15.68842 -11.47174 -11.46626 -11.45050 -11.43247 -11.42725 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268.2313 286.4395 297.2375 301.1267 360.2268 370.2304 395.4613 411.6214 433.9141 450.6745 486.1540 494.4630 527.0650 553.7888 563.4010 573.2060 617.3093 633.1509 664.1394 672.0719 720.6428 760.9067 763.9569 774.4135 781.6059 809.8737 833.0574 842.5726 855.4857 855.9297 872.7158 875.1110 905.5190 936.6105 966.2012 987.7776 995.1975 1017.7187 1039.3397 1058.0564 1080.1765 1085.4580 1117.3669 1125.4429 1128.1421 1141.2591 1142.4807 1145.7929 1151.5293 1160.8580 1162.8063 1183.0305 1212.2890 1234.0943 1234.9635 1247.5278 1263.0577 1287.4787 1291.7633 1292.1056 1322.6940 1323.6347 1333.9994 1336.2522 1355.9236 1403.8865 1407.8542 1409.3215 1410.4703 1422.1816 1422.3267 1464.2643 1478.9045 1490.3124 1531.8186 1556.6407 1562.7557 1576.8591 1585.2535 1587.9142 1599.0620 1611.8579 1626.2945 1630.4035 1637.8756 1640.0059 1641.7011 1651.1237 1651.5502 1652.9901 1653.6429 1654.4394 1655.5724 1675.3078 1680.5883 1768.6046 1775.1491 1783.5979 1803.7253 1827.6294 3216.6500 3242.9930 3248.1554 3265.0997 3276.8337 3284.6979 3285.0687 3299.4397 3319.9841 3324.6099 3343.1081 3347.3780 3360.4247 3371.3511 3374.0090 3382.4929 3388.5963 3390.4122 3406.6471 3422.8129 3657.1688 3719.5229 10.8204 7.0054 7.4032 7.2733 6.2164 5.6648 7.9171 1.3159 3.9356 1.8205 6.4231 4.2156 2.4758 6.1363 6.0271 3.7295 2.9377 5.1403 3.2982 4.2166 2.8183 4.6651 2.9633 3.0622 3.5719 5.3682 9.2045 6.0389 1.9248 6.2138 4.5699 5.1373 4.4590 5.4348 7.2533 3.0661 5.0005 5.6969 12.7746 3.6624 7.0518 5.2394 4.9750 5.0181 4.6875 4.8296 6.4154 5.5129 10.7950 3.4587 13.2236 1.0788 5.5269 1.2202 5.2861 2.8907 1.5058 5.7838 5.7071 1.5393 1.2985 1.7564 2.9834 1.6208 3.6168 1.3701 3.6108 3.6837 6.7507 1.3455 1.9333 2.8032 3.6655 4.6772 2.4441 1.7277 4.5518 3.1291 1.4225 7.1799 1.6847 1.2959 2.4341 1.7408 1.3630 1.6403 5.0068 1.8607 1.5658 1.9931 2.4868 1.3094 1.0769 1.2560 1.7169 4.0721 2.0502 1.2574 1.5855 1.0966 1.3753 1.3891 2.4042 1.6508 1.7145 2.9968 2.0678 1.1124 1.0401 1.2126 1.2446 1.2792 1.4080 1.1090 1.5074 3.5962 1.1037 1.1699 3.0114 4.1761 6.9212 5.5408 5.0438 5.8427 1.0776 1.0350 1.0602 1.0336 1.0595 1.0592 1.0610 1.1078 1.1060 1.1122 1.1090 1.1122 1.1123 1.1018 1.1052 1.0887 1.0935 1.0917 1.0941 1.0966 1.0936 1.0563 1.0962 0.0004 0.0004 0.0008 0.0009 0.0017 0.0038 0.0056 0.0028 0.0104 0.0059 0.0223 0.0231 0.0152 0.0516 0.0669 0.0467 0.0382 0.0949 0.0637 0.1138 0.0836 0.1420 0.0919 0.1042 0.1416 0.2276 0.4450 0.3144 0.1028 0.4751 0.3691 0.4734 0.4451 0.6029 0.8680 0.4270 0.7203 0.9324 2.3083 0.6849 1.3651 1.1763 1.1751 1.3041 1.2474 1.4778 2.1884 1.8957 3.8143 1.2449 5.1102 0.4411 2.3118 0.5261 2.2817 1.2972 0.6794 2.7942 2.9497 0.8466 0.7465 1.0249 1.8206 1.0315 2.3856 0.9419 2.5066 2.7097 5.0379 1.0090 1.4836 2.1557 2.8353 3.6541 1.9406 1.3764 3.7534 2.7095 1.2765 6.4517 1.5448 1.2181 2.3772 1.7115 1.3407 1.6908 5.1683 1.9510 1.6472 2.1589 2.8878 1.5291 1.2602 1.4722 2.0460 4.8536 2.5899 1.6203 2.0748 1.5161 1.9635 1.9988 3.5222 2.4442 2.5470 4.5147 3.1653 1.7334 1.6290 1.9166 1.9723 2.0313 2.2616 1.7823 2.4268 5.7940 1.7799 1.8893 4.9798 6.9493 12.7553 10.2871 9.4536 11.1997 2.1208 6.3093 6.5697 6.4250 6.6550 6.7009 6.7444 7.0438 7.0938 7.2227 7.2218 7.3239 7.3429 7.3309 7.4009 7.3025 7.3715 7.3855 7.4097 7.4981 7.5487 8.3240 8.9351 4.5171 1.3436 1.0678 1.6195 0.3393 1.2161 0.7344 3.8002 2.4889 6.5843 9.1913 0.6895 1.8048 2.5007 4.5350 2.2290 4.9719 7.6993 2.7346 0.9065 0.9328 1.6547 1.2176 0.8903 3.9468 2.1976 0.9681 0.4141 0.7212 5.9755 5.5746 17.7351 4.4109 2.3901 7.0453 3.7569 0.8370 4.0992 0.3903 0.1660 4.1693 3.8211 1.4251 13.7088 0.2417 14.5523 18.9804 32.1471 2.9795 2.3141 4.1576 7.9075 1.3299 58.9887 6.9673 8.5308 3.4494 29.0027 9.3893 50.6185 0.0558 41.4629 73.1238 0.6099 10.5155 2.1887 21.9865 8.9684 136.7379 0.0175 12.1334 28.4579 16.4404 5.1083 10.9299 26.6334 124.2730 5.7183 26.5202 2.0909 24.2248 1.4215 39.0654 101.8876 32.7199 14.3995 58.3017 1.6794 5.4042 18.6822 127.8639 48.6898 8.6253 3.6190 41.3643 8.0271 171.5229 65.2897 38.1585 0.9370 285.4549 14.6523 33.0444 342.8162 150.7674 26.2683 38.9045 4.7087 14.6789 0.6386 0.8876 4.0655 60.4100 24.3304 19.4229 78.2829 9.7734 12.0416 198.6704 46.1556 115.0938 5.2977 7.5219 3.0133 45.1162 41.1121 12.1849 16.6397 8.4155 0.2929 6.9089 42.1129 14.7573 0.0211 10.4580 0.3329 2.5071 14.9637 0.1801 2.5816 2.5933 5.4355 15.8094 7.9401 4.7726 36.3349 59.7454 0.4309 4.2616 0.8257 3.1907 4.3443 0.0545 0.9701 0.1584 0.2020 0.1407 0.9467 3.9530 0.5641 0.5540 0.8856 0.8731 0.9674 0.3504 1.9525 1.2023 1.4650 0.9529 0.6858 0.3058 3.1879 1.4127 0.6342 2.6953 0.4481 2.9186 2.9580 2.6668 1.4206 5.8421 5.6258 0.2243 0.8625 1.9755 2.3695 0.1201 4.9788 3.4888 0.9997 4.4962 0.6331 0.2346 8.6528 4.5272 0.1354 0.0946 0.2095 0.0757 3.3162 1.0984 15.9813 1.4560 1.3208 1.6240 25.5498 6.3945 1.7491 11.5916 13.1026 0.8412 8.8529 0.5890 27.6005 2.0390 34.7868 0.0132 2.5161 12.2495 7.3503 9.9012 9.5776 11.6438 13.1923 11.8447 12.2721 7.3796 2.8438 2.0884 34.6230 6.5242 3.0438 5.5936 6.9889 6.1739 2.4081 5.2718 7.0651 2.2644 9.6353 12.8319 1.4516 3.7159 25.1502 5.8760 15.3325 7.1031 40.1403 6.4626 13.3075 21.2311 1.6569 32.1947 3.5652 9.4683 19.0057 4.6676 9.0405 4.2780 11.7953 19.3552 8.5121 6.2472 14.8003 18.8823 15.1279 5.4216 6.6448 20.7850 135.6407 29.3107 14.7596 90.1516 58.2750 116.7206 59.4475 3.7172 99.7782 47.5364 26.8014 48.3697 49.6606 1.2380 44.3501 106.1682 75.3437 62.8685 53.7136 62.1211 132.3266 151.0036 121.7974 20.1905 11.2394 0.7495 0.7500 0.7449 0.7500 0.7500 0.7483 0.6734 0.7433 0.6034 0.6972 0.5414 0.7457 0.7274 0.5508 0.1127 0.2953 0.2652 0.6752 0.7441 0.2787 0.5934 0.7451 0.7181 0.6778 0.7239 0.4846 0.7419 0.2328 0.5695 0.2859 0.3507 0.1299 0.6618 0.3457 0.4176 0.7418 0.7002 0.7486 0.7171 0.5705 0.1639 0.5948 0.5147 0.7111 0.6826 0.2745 0.1840 0.2856 0.7354 0.7396 0.7496 0.7223 0.0365 0.7457 0.3541 0.4951 0.6214 0.7491 0.0511 0.2140 0.7499 0.1676 0.3842 0.6463 0.4790 0.6313 0.3472 0.6127 0.4423 0.7033 0.1548 0.0545 0.3874 0.1430 0.4747 0.7186 0.2398 0.6601 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0.6438 0.8362 0.3868 0.7952 0.5683 0.7988 0.2436 0.8560 0.5587 0.6994 0.7980 0.3213 0.7658 0.2706 0.6414 0.2663 0.3279 0.8565 0.7865 0.8384 0.4170 0.6759 0.2383 0.3287 0.5809 0.8471 0.5706 0.8226 0.6800 0.5195 0.7266 0.2933 0.7602 0.6774 0.8569 0.7203 0.8568 0.6721 0.4326 0.8203 0.8565 0.7111 0.8074 0.7569 0.3008 0.8469 0.8459 0.5694 0.7194 0.7857 0.6379 0.0494 0.0901 0.0155 0.0940 0.5001 0.0646 0.8317 0.7389 0.8567 0.8571 0.8451 0.8571 0.6390 0.7584 0.8533 0.4600 0.4358 0.6044 0.2864 0.2910 0.0866 0.8549 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 6 7 6 7 7 7 16 6 6 7 1 1 6 6 6 6 6 6 6 35 8 6 6 6 6 6 6 6 17 8 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 14.00307 12.00000 14.00307 14.00307 14.00307 31.97207 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 15.99491 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 6320.1068 56228.3145 57056.8629 0.99996 -0.00331 -0.00839 0.00253 0.99583 -0.09119 0.00865 0.09117 0.99580 1 0.01370 0.00154 0.00152 0.28556 0.03210 0.03163 11.48 13.62 19.20 20.90 30.69 48.32 49.85 86.95 96.42 107.11 110.50 138.86 146.95 171.87 197.51 209.74 213.83 254.65 260.56 307.95 322.75 327.00 330.18 345.79 373.15 385.93 412.12 427.66 433.25 518.29 532.68 568.98 592.23 624.31 648.42 699.47 711.42 758.33 796.78 810.61 824.72 888.17 910.96 955.55 966.96 1036.84 1094.77 1099.16 1114.21 1124.56 1165.23 1198.58 1212.27 1230.85 1231.49 1255.64 1259.09 1302.84 1347.57 1390.15 1421.19 1431.87 1464.27 1495.38 1522.31 1554.13 1561.73 1607.64 1619.26 1623.14 1642.02 1643.77 1648.54 1656.79 1670.22 1673.02 1702.12 1744.21 1775.59 1776.84 1794.91 1817.26 1852.39 1858.56 1859.05 1903.06 1904.42 1919.33 1922.57 1950.87 2019.88 2025.59 2027.70 2029.35 2046.20 2046.41 2106.75 2127.81 2144.23 2203.95 2239.66 2248.46 2268.75 2280.83 2284.65 2300.69 2319.10 2339.88 2345.79 2356.54 2359.60 2362.04 2375.60 2376.21 2378.28 2379.22 2380.37 2382.00 2410.39 2417.99 2544.63 2554.04 2566.20 2595.16 2629.55 4628.04 4665.94 4673.37 4697.75 4714.63 4725.95 4726.48 4747.16 4776.72 4783.37 4809.99 4816.13 4834.90 4850.62 4854.45 4866.65 4875.43 4878.05 4901.41 4924.66 5261.85 5351.56 0.433190 0.461014 0.461958 0.365125 -4580.412814 -4580.384990 -4580.384045 -4580.480878 3.247795D-04 MUNgauss RevisionA2.1 retrievium 21-May-2021 DUDE Cn1c(nnn1)SCC[NH2+]Cc2cc(c(c(c2)Br)OCc3ccccc3Cl)OC C16363645 RHF 6-31G(d) (6D,10F) C1 498.036611 |X|Y|Z| 44.127665 40.152387 166.982224 66.634251 24 6 7 8 16 17 5 1 1 |36.858105| |13.111897|53.358707| |7.504577|19.520486|36.858105| |5.343623|12.140399|14.737626|53.358707| |5.497386|12.438275|9.096152|19.354338|53.358707| |7.830037|19.452992|8.925568|12.146018|20.773263|53.358707| |5.729802|9.452408|10.866187|9.542051|6.807580|6.752421|388.023441| |3.860735|6.512628|7.125421|9.171137|6.227281|5.516839|74.479616|36.858105| |3.149064|4.885424|4.691282|5.963856|4.563387|4.212039|49.692311|12.506585|36.858105| |2.589394|4.019039|3.706389|5.084511|4.036653|3.645609|33.182252|7.711265|12.708617|53.358707| |2.535779|3.973270|3.653230|5.149150|4.103742|3.660267|31.164053|7.160138|9.187946|25.655203|0.500000| |2.539720|3.991433|3.677750|5.212488|4.145310|3.684881|31.197045|7.199183|9.188673|25.660339|0.330249|0.500000| |2.215184|3.317699|2.916994|3.934433|3.273313|3.028652|25.675390|4.924784|7.469507|17.075330|0.255906|0.255522|36.858105| |1.939109|2.909428|2.508726|3.484618|2.970310|2.725661|20.738726|3.860533|4.954570|10.495673|0.202028|0.200860|12.679446|36.858105| |1.817065|2.723253|2.321304|3.256798|2.816235|2.580832|18.685885|3.387086|4.095422|7.877808|0.147069|0.174726|7.587292|13.624720|36.858105| |1.633146|2.440295|2.047142|2.903822|2.562424|2.347430|15.986637|2.812107|3.219297|5.782457|0.115287|0.127073|5.038162|7.911037|13.787404|36.858105| |1.560511|2.327867|1.941345|2.761746|2.455242|2.250413|15.021240|2.617268|2.950956|5.213540|0.110007|0.109476|4.448055|6.849945|7.887530|13.497646|36.858105| |1.636881|2.442563|2.048611|2.898453|2.556543|2.345691|16.044446|2.821665|3.234247|5.811154|0.128255|0.115461|5.057232|7.972869|6.882687|7.918669|13.824088|36.858105| |1.822689|2.726745|2.323637|3.248661|2.807917|2.578453|18.785115|3.403974|4.128079|7.947055|0.177160|0.147528|7.653739|13.840419|7.907955|6.831207|7.891497|13.684049|36.858105| |1.499908|2.221625|1.832678|2.593581|2.330715|2.151809|14.078021|2.387181|2.636823|4.398989|0.099194|0.086142|3.585773|4.623798|4.097165|4.592089|6.731114|10.123406|6.725422|2539.412838| |1.423427|2.114765|1.740793|2.486874|2.246932|2.064618|13.218975|2.247105|2.461272|4.150864|0.087880|0.087569|3.390222|4.625840|5.247679|8.018921|14.237304|8.048365|5.232873|212.878092|73.516695| |1.309170|1.923170|1.566984|2.214284|2.016643|1.872861|11.938596|1.980269|2.178626|3.561175|0.074100|0.074166|2.962619|3.847160|4.318847|6.023694|8.111216|5.850767|4.241822|176.949843|23.796104|36.858105| |1.207658|1.770349|1.429045|2.027547|1.868943|1.738207|10.724997|1.753078|1.887980|3.013059|0.063046|0.062959|2.424250|2.993910|3.290039|4.263271|5.240828|4.234464|3.269632|144.650887|14.161324|12.623076|36.858105| |1.206687|1.778074|1.433256|2.052783|1.902218|1.759915|10.614155|1.738133|1.839181|2.926686|0.061963|0.061578|2.287261|2.788628|3.029668|3.845845|4.695569|3.913035|3.055284|138.760793|12.439328|7.511632|13.726171|36.858105| |1.119061|1.642455|1.312773|1.879632|1.758916|1.633475|9.639238|1.555987|1.628800|2.542399|0.053724|0.053401|1.962651|2.320046|2.489774|3.021133|3.501685|3.065157|2.509738|111.153587|8.246501|5.002075|7.897382|13.752534|36.858105| |1.047613|1.527092|1.214259|1.726351|1.620355|1.514893|8.944735|1.427338|1.499901|2.314373|0.048505|0.048358|1.801398|2.099632|2.247669|2.676888|3.024296|2.685737|2.249602|97.036092|6.807010|4.427201|6.818005|7.936805|13.773875|36.858105| |1.047159|1.520543|1.210292|1.709267|1.597909|1.499414|8.999741|1.433656|1.523854|2.352734|0.048944|0.048941|1.863040|2.179269|2.343642|2.800820|3.149631|2.777902|2.326995|98.834069|7.038164|5.018053|7.863727|6.880890|7.956699|13.761023|36.858105| |1.118284|1.626917|1.303334|1.837370|1.704001|1.596183|9.781163|1.573065|1.692535|2.648514|0.054962|0.055034|2.134352|2.554646|2.778253|3.422370|3.939470|3.365607|2.743311|116.887461|9.172498|7.584823|13.707459|8.008055|6.931799|7.981107|13.792350|36.858105| |1.100733|1.589692|1.271456|1.773969|1.641465|1.548279|9.650595|1.538496|1.677849|2.603262|0.053321|0.053631|2.144767|2.534888|2.748657|3.283352|3.623429|3.170957|2.678595|106.771101|7.630000|6.301551|6.995410|4.762555|4.234670|4.777796|7.069047|10.882011|448.794386| |1.524022|2.267555|1.879300|2.672661|2.392781|2.198752|14.431867|2.472605|2.750208|4.675466|0.092350|0.104496|3.874437|5.206265|7.914934|14.317273|8.226418|5.321310|4.628289|126.132190|12.834102|6.037959|4.513112|4.050498|3.201557|2.852975|2.995618|3.659131|27.900107|73.516695| |1.544998|2.291960|1.894044|2.680593|2.404301|2.218120|14.554281|2.462170|2.727481|4.499302|0.086012|0.102738|3.663033|4.490694|6.694266|8.003672|5.241492|3.983334|3.779641|100.333796|8.377657|4.288240|3.506487|3.216275|2.690558|2.462583|2.581346|3.036012|23.943765|24.073402|36.858105| |17.618285|12.410865|6.571737|6.474722|6.385078|8.288495|40.712544|3.801749|3.184691|3.531209|0.069255|0.071043|2.240786|1.947712|1.838130|1.643397|1.556214|1.622508|1.809582|50.151644|2.518752|1.307937|1.203540|1.197324|1.109383|1.041252|1.044238|1.116913|8.866951|2.736773|1.574669|0.500000| |17.678481|12.670094|5.712348|6.267190|7.038348|10.499374|31.077217|3.236263|2.693506|3.109786|0.062604|0.062710|1.980188|1.762521|1.664653|1.512669|1.451246|1.515595|1.668906|47.676810|2.372797|1.231223|1.143336|1.146223|1.068485|1.001706|0.998787|1.061775|8.372911|2.526991|1.440801|0.299845|0.500000| |17.618891|12.415006|6.593796|6.481306|6.377569|8.263954|40.976440|3.825149|3.193775|3.543363|0.071318|0.069590|2.244251|1.952695|1.807456|1.622747|1.561522|1.653193|1.850472|51.895664|2.527427|1.310273|1.206691|1.202960|1.114818|1.044882|1.046237|1.118412|8.859020|2.674902|1.514743|0.298542|0.299854|0.500000| |3.685157|6.319291|6.739784|9.570066|6.501900|5.578643|56.544572|17.614371|8.802071|9.512852|0.212185|0.177327|4.573163|3.772139|3.253764|2.768140|2.648697|2.908143|3.487592|85.562644|4.064572|1.997517|1.777623|1.778062|1.592641|1.452983|1.450820|1.587684|12.353858|4.298851|2.357455|0.096943|0.087505|0.103172|0.500000| |3.692299|6.369104|6.846203|9.865861|6.621288|5.640506|56.598677|17.620002|8.806580|9.490079|0.175369|0.212827|4.576945|3.765117|3.467155|2.892609|2.639670|2.768702|3.258645|78.814908|4.051701|1.997472|1.774638|1.768255|1.583668|1.448384|1.449932|1.588398|12.403782|4.595032|2.616229|0.102478|0.087664|0.097633|0.302296|0.500000| |3.087237|4.660078|4.330781|5.383001|4.239392|3.993958|45.980262|8.768268|17.627098|12.415424|0.180493|0.219650|6.951472|4.629213|4.040119|3.144278|2.806769|2.990856|3.731163|82.550121|4.187324|2.115963|1.833335|1.772333|1.574196|1.459739|1.491161|1.656695|13.318402|4.869572|2.795102|0.089517|0.073381|0.085896|0.172405|0.210486|0.500000| |3.085833|4.642428|4.304484|5.330064|4.205550|3.971649|46.045116|8.759857|17.625678|12.422157|0.220793|0.180564|6.927800|4.633975|3.706050|2.981304|2.813583|3.164856|4.081485|90.327207|4.196156|2.113810|1.834839|1.780364|1.581515|1.463221|1.490951|1.654507|13.247335|4.514162|2.481995|0.085835|0.073337|0.089721|0.209701|0.172366|0.300851|0.500000| |2.206850|3.266379|2.845629|3.780936|3.167796|2.962955|25.336927|4.617929|6.949983|12.374690|0.181058|0.221200|17.634665|8.801753|7.100373|4.706091|3.954140|4.205410|5.661801|104.810100|5.519451|2.787900|2.297680|2.152177|1.861930|1.725968|1.795490|2.051703|16.789704|6.774318|3.804381|0.063005|0.054734|0.061694|0.113490|0.122784|0.212720|0.172818|0.500000| |2.207378|3.260062|2.837534|3.758398|3.150248|2.952095|25.377751|4.616447|6.976615|12.383127|0.221081|0.180990|17.638490|8.823057|5.634210|4.195695|3.961548|4.720769|7.160169|121.999650|5.525064|2.777984|2.296507|2.161962|1.870431|1.728952|1.792698|2.044776|16.635273|5.890975|3.104706|0.061727|0.054730|0.063114|0.122266|0.113537|0.174619|0.212815|0.300760|0.500000| |1.865515|2.789330|2.377348|3.312818|2.861060|2.631840|19.256683|3.453297|4.185632|7.657794|0.134246|0.178706|7.034196|8.877455|17.741235|8.933532|5.617092|4.959163|5.640219|113.266152|7.520403|3.665850|2.911013|2.697058|2.268745|2.073833|2.162669|2.524704|20.311067|12.595965|7.455330|0.052959|0.047371|0.051180|0.089240|0.100400|0.120639|0.102363|0.214255|0.143466|0.500000| |1.870499|2.787121|2.373005|3.287015|2.838280|2.620418|19.355629|3.464822|4.213257|7.692011|0.180514|0.134277|7.029798|8.885921|5.615625|4.931746|5.642871|8.931774|17.729788|222.297576|7.530569|3.597687|2.897218|2.739893|2.303612|2.083089|2.146237|2.486910|19.603128|6.526473|3.123387|0.051258|0.047466|0.053318|0.100732|0.089210|0.102965|0.121879|0.143205|0.214125|0.123709|0.500000| |1.306225|1.913507|1.558130|2.192340|1.995114|1.858092|11.927198|1.970463|2.182304|3.551084|0.072384|0.074590|2.991806|3.851823|4.557231|6.444217|7.229268|5.112984|3.996281|143.928118|16.523619|17.621230|8.886970|5.847924|4.290607|3.980336|4.627111|6.804901|52.966913|12.779792|5.081870|0.036448|0.034093|0.036218|0.054528|0.055521|0.059731|0.058438|0.080153|0.076997|0.110427|0.093440|0.500000| |1.303592|1.906196|1.551687|2.177231|1.980162|1.847427|11.916571|1.965855|2.184661|3.552164|0.074210|0.072465|3.011569|3.884783|4.122475|5.332995|7.324397|6.176835|4.465722|202.193607|16.530461|17.585122|8.889407|5.913854|4.318380|3.983983|4.602142|6.719487|51.526112|8.769138|3.711008|0.036144|0.034008|0.036438|0.055212|0.054402|0.058755|0.059727|0.078099|0.080313|0.096581|0.107559|0.301196|0.500000| |1.279219|1.898287|1.538561|2.220284|2.050183|1.883620|11.351856|1.882230|1.980902|3.191272|0.068279|0.067568|2.461259|3.038604|3.295386|4.231081|5.323006|4.392502|3.360893|153.870423|14.507413|6.967775|8.956784|17.775711|8.930596|5.652848|4.960653|5.683557|31.536735|7.734631|3.381827|0.035162|0.033705|0.035381|0.053830|0.053364|0.052590|0.052975|0.063581|0.064102|0.080395|0.082943|0.150905|0.153434|0.500000| |1.112024|1.635949|1.304498|1.877531|1.765797|1.636080|9.493480|1.529776|1.583818|2.459332|0.052227|0.051791|1.869207|2.184755|2.326435|2.772397|3.172534|2.832885|2.357712|103.388705|7.190978|4.082245|5.635401|8.935551|17.726822|8.920542|5.653256|4.983226|27.439997|5.183470|2.493471|0.030538|0.029576|0.030728|0.043699|0.043358|0.042376|0.042654|0.049160|0.049493|0.059234|0.060632|0.099252|0.100017|0.215843|0.500000| |0.995271|1.447448|1.145300|1.627995|1.536573|1.439875|8.394466|1.329144|1.387959|2.120682|0.044425|0.044280|1.637948|1.880911|1.999926|2.334170|2.591842|2.344072|2.003548|84.942820|5.625747|3.542637|4.924347|5.641670|8.904398|17.729734|8.937071|5.668923|31.685915|4.407463|2.190000|0.027462|0.026517|0.027562|0.037602|0.037474|0.037562|0.037662|0.043734|0.043825|0.051758|0.052054|0.090620|0.090693|0.124182|0.214368|0.500000| |0.995192|1.438474|1.140172|1.603798|1.503854|1.417289|8.482121|1.339346|1.423437|2.175990|0.045072|0.045128|1.724348|1.987777|2.126196|2.487583|2.739089|2.458553|2.105607|87.222010|5.869988|4.105871|5.624657|4.958874|5.647065|8.885715|17.750772|8.951185|54.437967|4.718028|2.346021|0.027605|0.026408|0.027637|0.037546|0.037566|0.038853|0.038804|0.046471|0.046334|0.055101|0.054437|0.109376|0.108579|0.107701|0.124035|0.214392|0.500000| |1.438305|2.124609|1.736872|2.462526|2.237082|2.070566|13.166989|2.184463|2.373392|3.807664|0.073779|0.085921|3.035173|3.608549|4.895944|5.899722|4.427255|3.422212|3.182953|91.112253|7.681577|4.110168|3.542373|3.268369|2.782795|2.571204|2.694242|3.129164|24.473488|16.998539|17.680248|0.040700|0.037501|0.039100|0.058441|0.064482|0.067461|0.060546|0.087110|0.073445|0.145815|0.075003|0.137039|0.097089|0.093661|0.071522|0.063686|0.068208|0.500000| 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