Version2.4 2021-05-26T10:19:40Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 19-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(cc1)[C@H]2[C@@H]3[C@@H](Oc4ccccc4C3=Nc5n2ncn5)c6cccc(c6)Br C49937194 RHF 6-31G(d) (6D,7F) COc1ccc(cc1)[C@H]2[C@@H]3[C@@H](Oc4ccccc4C3=Nc5n2ncn5)c6cccc(c6)Br C01[X(C25H19Br1N4O2)] 147 C1 533 COc1ccc(cc1)[C@@H]1n2ncnc2N=C2[C@H]1[C@@H](Oc1c2cccc1)c1cccc(c1)Br COc1ccc(cc1)[C@@H]1n2ncnc2N=C2[C@H]1[C@@H](Oc1c2cccc1)c1cccc(c1)Br COc1ccc(cc1)[C@H]2[C@@H]3[C@@H](Oc4ccccc4C3=Nc5ncnn25)c6cccc(Br)c6 InChIKey=JBSPHSSTYMIUHW-NHTMILBNSA-N InChI=1S/C25H19BrN4O2/c1-31-18-11-9-15(10-12-18)23-21-22(29-25-27-14-28-30(23)25)19-7-2-3-8-20(19)32-24(21)16-5-4-6-17(26)13-16/h2-14,21,23-24H,1H3/t21-,23+,24+/m1/s1 InChI=1/C25H19BrN4O2/c1-31-18-11-9-15(10-12-18)23-21-22(29-25-27-14-28-30(23)25)19-7-2-3-8-20(19)32-24(21)16-5-4-6-17(26)13-16/h2-14,21,23-24H,1H3/t21-,23+,24+/m1/s1 COc1ccc(cc1)[C@H]2[C@@H]3[C@@H](Oc4ccccc4C3=Nc5n2ncn5)c6cccc(c6)Br C01[X(C25H19Br1N4O2)] 147 C01 533 COc1ccc(cc1)[C@@H]1n2ncnc2N=C2[C@H]1[C@@H](Oc1c2cccc1)c1cccc(c1)Br CO[C]1[CH][CH][C]([CH][CH]1)[C@@H]1[N@]2[N][CH][N][C]2N=C2[C@H]1[C@@H](O[C]1[C]2[CH][CH][CH][CH]1)[C]1[CH][CH][CH][C]([CH]1)Br CO[C]1[CH][CH][C]([CH][CH]1)[C@H]2[C@@H]3[C@@H](O[C]4[CH][CH][CH][CH][C]4C3=N[C]5[N][CH][N]N25)[C]6[CH][CH][CH][C](Br)[CH]6 InChIKey=JBSPHSSTYMIUHW-NHTMILBNSA-N InChI=1S/C25H19BrN4O2/c1-31-18-11-9-15(10-12-18)23-21-22(29-25-27-14-28-30(23)25)19-7-2-3-8-20(19)32-24(21)16-5-4-6-17(26)13-16/h2-14,21,23-24H,1H3/t21-,23+,24+/m1/s1 InChI=1/C25H19BrN4O2/c1-31-18-11-9-15(10-12-18)23-21-22(29-25-27-14-28-30(23)25)19-7-2-3-8-20(19)32-24(21)16-5-4-6-17(26)13-16/h2-14,21,23-24H,1H3/t21-,23+,24+/m1/s1 3652.9107618530 -3895.1580992 1-A 15688.3564 124 409 533 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397.5536 406.4984 418.8200 434.5979 466.1772 487.9468 513.3584 516.5336 530.9408 564.8842 587.3743 594.7999 606.0636 619.1692 637.6598 666.4449 693.9127 697.1227 718.2348 731.4536 733.4425 784.4074 796.7541 815.1155 818.0003 829.8619 854.7356 862.8536 867.0822 869.6808 902.4526 905.8112 921.4436 927.7594 945.9260 971.4314 983.6226 999.2226 1043.5956 1045.2241 1052.5825 1070.2221 1077.9540 1086.6991 1088.2780 1094.2219 1105.9348 1109.6926 1124.8902 1126.9057 1131.5222 1157.0608 1180.6673 1182.1064 1193.4468 1200.0666 1206.8943 1217.9658 1224.3283 1224.8106 1246.0086 1264.1947 1270.1164 1293.9267 1304.5512 1314.1550 1321.7817 1323.3981 1334.5397 1341.7801 1345.7249 1351.4445 1374.8088 1394.8707 1427.2445 1434.5367 1436.5228 1447.7168 1457.9550 1462.0077 1472.9808 1504.6681 1518.2866 1534.7788 1544.4963 1592.0283 1599.3545 1601.9710 1631.7919 1632.4187 1648.2480 1651.4388 1653.8128 1660.1348 1678.6193 1702.3370 1766.5097 1773.6795 1779.0842 1781.2553 1801.1266 1810.0791 1822.2450 1864.0341 3198.1730 3210.3207 3252.4839 3274.1339 3310.2254 3330.9871 3364.1780 3367.5369 3369.0788 3370.7320 3385.5881 3387.8392 3396.6244 3401.7455 3408.3818 3408.4398 3415.2917 3423.1402 3458.2338 7.4039 7.7570 5.8351 4.8110 3.8658 8.6216 4.6552 5.2047 5.7070 6.5536 5.7286 5.4942 6.1556 5.2990 4.7670 5.2803 6.2988 5.3937 1.1944 3.6462 8.4669 5.2612 8.4720 7.2100 6.0937 5.4657 7.0082 5.8648 3.0168 3.2708 4.1653 4.4769 5.2551 4.1818 3.5864 5.4567 5.5388 4.0981 4.8644 5.1730 6.6365 6.0171 5.5114 5.2052 4.5585 2.2085 4.1339 5.0247 4.5968 6.3499 5.1345 2.4453 4.2556 2.2872 1.9555 5.3888 2.9681 1.2751 1.8835 2.8329 2.0536 3.4240 1.4257 1.5141 1.4230 2.4271 3.7742 4.4814 3.6781 1.3575 1.3608 2.7460 1.3721 1.3323 2.4906 4.4826 3.6986 3.9567 2.9182 2.3563 1.9624 2.5091 2.2722 2.0179 1.8730 2.3433 2.5492 1.2670 1.1793 1.4232 2.1338 2.2439 2.0160 2.0185 2.0818 1.7387 2.9451 1.7950 1.6873 3.9356 3.8072 2.3481 1.4829 1.9893 1.4363 1.5912 1.5684 1.5882 1.7983 3.6344 2.2292 2.0390 1.3788 2.1300 2.7612 1.0480 2.2265 1.0560 6.2116 2.5140 6.8851 5.2027 6.1326 6.7807 5.3813 5.9530 5.3884 12.0836 1.0828 1.0343 1.0856 1.1076 1.0880 1.1021 1.0906 1.0892 1.0887 1.0908 1.0945 1.0931 1.0950 1.0960 1.0961 1.0934 1.0952 1.0925 1.0995 0.0008 0.0011 0.0038 0.0038 0.0043 0.0122 0.0174 0.0243 0.0294 0.0541 0.0829 0.0872 0.1314 0.1161 0.1190 0.1447 0.2060 0.2327 0.0529 0.1953 0.5341 0.3459 0.5889 0.6094 0.5674 0.5321 0.7243 0.6527 0.3863 0.4588 0.6468 0.7038 0.8728 0.7862 0.7290 1.1374 1.1987 0.9257 1.1653 1.3537 1.8828 1.7229 1.6751 1.6408 1.4448 0.8006 1.5462 1.9670 1.8122 2.5765 2.2101 1.0727 1.8851 1.0192 0.9383 2.6051 1.4848 0.6466 0.9930 1.5751 1.1706 2.0142 0.9148 0.9746 0.9289 1.6379 2.5839 3.1180 2.5666 0.9576 0.9806 1.9923 1.0229 0.9968 1.8788 3.5359 3.0377 3.2576 2.4489 1.9994 1.6841 2.1930 2.0068 1.7836 1.7133 2.2065 2.4229 1.2498 1.1825 1.4481 2.1965 2.3155 2.1155 2.1411 2.2213 1.8710 3.2797 2.0577 2.0251 4.7718 4.6290 2.8996 1.8572 2.5052 1.8360 2.1225 2.1302 2.2042 2.5275 5.4272 3.3596 3.0831 2.1631 3.3443 4.4197 1.6840 3.5879 1.7148 10.3123 4.2924 12.6588 9.6433 11.4363 12.6759 10.2855 11.4916 10.5419 24.7373 6.5255 6.2807 6.7666 6.9955 7.0243 7.2044 7.2722 7.2775 7.2811 7.3019 7.3915 7.3921 7.4431 7.4724 7.5021 7.4842 7.5265 7.5425 7.7476 0.1388 0.1784 0.5829 0.8035 1.0021 0.0956 2.1210 0.4342 2.0448 0.4561 1.2577 2.4885 2.1000 1.8900 0.7010 1.1892 0.2444 0.8500 0.4295 1.6955 0.1998 2.0264 3.3857 2.9560 0.3566 1.1274 1.1011 6.5089 0.4937 2.2993 4.6550 2.3209 5.3244 0.6257 2.5410 12.6015 15.1734 22.3709 9.4803 16.0688 0.3918 4.8716 7.9682 7.6066 12.4894 35.6975 4.1471 8.0548 10.6676 5.7251 1.7527 54.7721 25.7993 33.1817 10.1477 12.3852 31.6844 2.9671 31.6488 10.4484 8.4687 9.9858 3.6671 12.0617 1.3961 3.3834 9.0867 5.3748 4.9123 0.6795 2.0042 0.2206 1.2269 0.1563 4.7598 87.7615 58.0904 25.5175 9.1915 13.9067 10.8403 20.2233 16.1327 30.5316 13.1984 20.8139 27.7900 3.1226 50.8630 10.5432 12.4077 25.0898 30.8769 6.0288 24.2149 13.9315 43.3836 13.3705 51.2844 382.6272 43.9462 42.5340 21.6602 195.0958 21.4873 15.7170 35.4610 25.2498 14.5341 75.6106 2.8741 18.1385 94.6885 49.9498 29.7566 4.8178 16.9503 33.4193 260.5939 130.7146 154.6532 29.4905 16.0588 34.5610 7.0569 179.8491 102.6585 418.4866 4.0067 52.6626 26.6537 50.6693 20.9085 45.6093 17.7410 4.7333 5.2752 12.0578 15.2169 21.6387 8.0267 12.2033 7.4557 10.7908 5.4189 1.0416 22.9279 4.0067 0.2759 6.9969 4.1555 5.6446 2.6411 2.8641 0.3500 1.2392 5.0660 2.9878 0.8559 0.7554 2.4743 1.1697 1.9654 2.6371 8.7673 0.4174 0.7530 2.9959 1.6710 5.3127 1.9946 1.5979 2.0538 2.1891 1.5745 0.2004 0.8663 0.7361 1.1313 4.1227 0.3407 1.0397 3.2168 1.9637 1.2100 2.4157 4.6979 4.8832 3.6007 5.7306 2.5803 3.9301 1.7961 0.3566 4.1573 8.0125 2.5980 0.7812 3.2498 2.3520 3.3140 7.9160 9.0535 19.2614 1.9138 3.0581 3.0422 3.4899 8.8024 2.6718 0.5218 0.2243 3.0754 4.0154 31.1310 5.4449 0.5265 0.2179 0.4102 0.5161 0.3467 27.5251 1.1464 7.1271 3.9480 17.8114 5.6623 1.0972 18.1650 8.4061 8.8313 4.5876 10.2155 2.3686 4.6380 9.7298 4.3550 16.3741 4.9701 11.7304 5.2106 11.7343 12.4807 213.4577 37.4486 8.2821 20.1684 1.9523 13.5691 9.2033 45.4489 6.4830 39.7082 17.6002 1.3021 4.4782 29.0061 3.0517 2.2475 11.1176 6.6929 139.3963 27.4471 0.6414 13.0290 251.0025 4.4952 12.3337 12.4611 8.6437 8.2554 22.9790 374.3538 83.0030 725.0721 58.1694 106.0564 42.9656 43.0928 59.0913 157.8241 48.4206 53.6455 72.7819 39.0024 117.1587 166.9637 118.5487 155.3161 109.0923 138.9503 87.3840 32.8137 183.5062 0.7467 0.7427 0.7495 0.7377 0.7499 0.6949 0.7494 0.6854 0.5100 0.7478 0.6520 0.7231 0.7362 0.7116 0.7250 0.7301 0.2727 0.6672 0.7146 0.3459 0.2893 0.1616 0.1881 0.3010 0.7224 0.3463 0.0514 0.7491 0.4925 0.3000 0.4564 0.7207 0.5574 0.5112 0.4559 0.6333 0.6215 0.5408 0.1187 0.6654 0.6635 0.7467 0.0375 0.2683 0.5805 0.4441 0.7406 0.0990 0.1417 0.2858 0.7447 0.5618 0.7251 0.5056 0.1489 0.2506 0.0958 0.7074 0.3283 0.4093 0.6663 0.2475 0.6888 0.3427 0.7228 0.5223 0.7258 0.1133 0.1902 0.7096 0.7221 0.6324 0.3728 0.6726 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0.8386 0.7748 0.5431 0.8042 0.3029 0.8410 0.2893 0.1730 0.4386 0.8513 0.1574 0.8250 0.5355 0.8570 0.6889 0.8147 0.5324 0.8570 0.2980 0.7416 0.5138 0.5526 0.4814 0.3186 0.4042 0.5931 0.4257 0.3413 0.8570 0.2945 0.5222 0.6039 0.8539 0.5635 0.6911 0.4396 0.6814 0.7781 0.7170 0.5493 0.6647 0.8295 0.5686 0.7238 0.4697 0.8554 0.7133 0.7844 0.4770 0.1915 0.5944 0.8571 0.8223 0.8524 0.7153 0.5941 0.6224 0.4649 0.3851 0.0437 0.3409 0.8517 0.3590 0.6456 0.6457 0.8226 0.8195 0.6646 0.4598 0.5763 0.3644 0.2954 0.3469 0.3319 0.2534 0.4454 0.4552 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 8 6 6 6 6 6 6 6 1 6 1 6 1 8 6 6 6 6 6 6 6 7 6 7 7 6 7 6 6 6 6 6 6 35 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 1.00783 12.00000 1.00783 12.00000 1.00783 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 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 12044.0436 22327.5059 24443.3303 0.99909 0.03994 -0.01492 -0.03902 0.99757 0.05776 0.01719 -0.05712 0.99822 1 0.00719 0.00388 0.00354 0.14985 0.08083 0.07383 18.92 21.99 47.86 52.98 62.61 70.46 114.63 128.14 134.54 170.34 225.53 236.16 273.86 277.42 296.12 310.32 339.00 389.36 394.55 433.85 470.79 480.60 494.21 544.94 571.99 584.86 602.59 625.29 670.73 702.05 738.61 743.18 763.91 812.74 845.10 855.78 871.99 890.85 917.45 958.87 998.39 1003.00 1033.38 1052.40 1055.26 1128.59 1146.35 1172.77 1176.92 1193.99 1229.77 1241.45 1247.54 1251.28 1298.43 1303.26 1325.75 1334.84 1360.98 1397.67 1415.21 1437.66 1501.50 1503.84 1514.43 1539.81 1550.94 1563.52 1565.79 1574.34 1591.19 1596.60 1618.47 1621.37 1628.01 1664.75 1698.72 1700.79 1717.10 1726.63 1736.45 1752.38 1761.54 1762.23 1792.73 1818.89 1827.41 1861.67 1876.96 1890.78 1901.75 1904.07 1920.10 1930.52 1936.20 1944.43 1978.04 2006.91 2053.49 2063.98 2066.84 2082.94 2097.67 2103.50 2119.29 2164.88 2184.48 2208.20 2222.19 2290.57 2301.11 2304.88 2347.78 2348.69 2371.46 2376.05 2379.47 2388.56 2415.16 2449.28 2541.61 2551.93 2559.71 2562.83 2591.42 2604.30 2621.80 2681.93 4601.46 4618.94 4679.60 4710.75 4762.68 4792.55 4840.30 4845.13 4847.35 4849.73 4871.11 4874.35 4886.98 4894.35 4903.90 4903.98 4913.84 4925.14 4975.63 0.426229 0.449722 0.450666 0.368916 -3894.731871 -3894.708377 -3894.707433 -3894.789184 2.741942D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE COc1ccc(cc1)[C@H]2[C@@H]3[C@@H](Oc4ccccc4C3=Nc5n2ncn5)c6cccc(c6)Br C49937194 RHF 6-31G(d) (6D,10F) C1 486.069137 |X|Y|Z| 95.594202 61.748688 52.323696 67.595726 29 6 7 8 24 4 1 |36.858105| |13.605335|73.516695| |8.013764|25.160264|36.858105| |5.261759|14.591839|13.703342|36.858105| |3.990003|9.423218|7.938480|13.811241|36.858105| |3.780054|8.177946|6.808913|7.892217|13.696994|36.858105| |4.517512|9.249870|7.940778|6.908093|8.004291|13.753810|36.858105| |6.724526|13.988936|13.718747|7.940078|6.892753|7.879293|13.746698|36.858105| |2.915816|5.987526|4.416250|5.016442|7.560241|12.563726|7.510860|4.992310|36.858105| |2.688014|5.591332|4.004499|4.831095|7.422777|8.986867|5.616799|4.201065|17.586733|0.500000| |2.655522|5.296792|3.742810|4.053123|5.391083|7.490187|5.944891|4.266698|12.332583|0.244529|36.858105| |2.851330|5.569884|3.946421|4.024171|5.033249|7.218954|6.797713|4.768140|8.903971|0.174863|17.499135|0.500000| |2.570560|5.206187|3.587322|4.030276|5.198128|5.990194|4.771435|3.812831|7.400955|0.193321|12.404471|0.252045|36.858105| |2.916698|6.022952|4.220811|4.776566|6.043746|6.634892|5.354940|4.402031|6.748398|0.171639|8.986380|0.228790|17.667277|0.500000| |2.306784|4.527107|2.997121|3.212977|3.820020|4.312625|3.828213|3.212714|5.014352|0.130114|7.908858|0.203736|13.441831|0.268197|73.516695| |2.035339|3.925202|2.559833|2.708536|3.189214|3.639266|3.298415|2.771221|4.429198|0.116231|6.755118|0.172040|8.011787|0.165100|25.082651|36.858105| |1.817646|3.462872|2.201742|2.307820|2.626887|2.895606|2.692067|2.349259|3.350200|0.089853|4.529437|0.120935|5.292547|0.122870|14.486644|13.707029|36.858105| |1.636221|3.085649|1.942976|2.021813|2.282084|2.515224|2.366112|2.077921|2.920859|0.078818|3.752422|0.100487|4.019673|0.095341|9.408099|7.973055|13.830836|36.858105| |1.612146|3.033382|1.920057|1.994337|2.272060|2.546431|2.394723|2.074420|3.040902|0.081807|3.856699|0.101986|3.816220|0.089337|8.211400|6.864311|7.901788|13.661117|36.858105| |1.757253|3.327637|2.142027|2.234063|2.603762|3.003761|2.787734|2.345512|3.768976|0.099946|4.960120|0.127181|4.532166|0.102113|9.260056|7.925899|6.861748|7.967436|13.859760|36.858105| |1.995072|3.830503|2.516831|2.652682|3.174944|3.755412|3.394046|2.773966|4.917761|0.127174|7.520255|0.181914|6.750758|0.139659|14.110369|13.700611|7.888124|6.867303|7.902605|13.615362|36.858105| |2.224996|4.317513|2.919534|3.096578|3.868799|4.911107|4.281107|3.293157|7.411838|0.177547|12.526770|0.255221|7.511536|0.154654|11.930684|7.706215|5.073945|4.488153|5.061035|7.606095|12.949733|36.858105| |2.112421|4.053662|2.714477|2.845897|3.498474|4.416807|3.965123|3.079084|6.504565|0.159527|7.733114|0.181897|5.139229|0.116641|8.251852|5.261947|3.979442|3.800356|4.521514|6.707203|8.021579|15.042726|53.358707| |2.292616|4.416080|3.002540|3.137191|3.908480|5.133156|4.598349|3.461142|7.713429|0.180562|6.922899|0.169172|4.545799|0.109873|6.882837|4.025277|3.173775|2.999931|3.406311|4.513777|5.241494|8.420663|18.779137|36.858105| 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|2.319754|4.753155|3.190667|3.760273|4.848122|4.941752|3.826564|3.211766|6.067104|0.194154|7.248015|0.151765|12.491429|0.250898|14.008289|6.146092|4.643877|3.698434|3.521994|4.052572|5.450848|5.768731|6.013134|3.993935|5.947994|4.729330|3.029601|4.323296|36.858105| |2.331544|4.841175|3.169128|3.822724|4.648853|4.288167|3.424645|3.042992|4.617350|0.145320|5.014049|0.117414|7.643032|0.209196|10.551878|4.624372|3.894336|3.150821|2.922735|3.194189|3.993132|4.088773|4.561103|3.149174|4.739171|4.005173|2.572465|3.573207|13.697223|36.858105| |2.079137|4.285284|2.724777|3.274130|3.828822|3.460484|2.833056|2.578697|3.710471|0.119459|3.823879|0.091373|5.033974|0.135529|7.639063|3.695583|3.300297|2.800869|2.624079|2.808511|3.321007|3.357407|3.936002|2.746881|4.053923|3.551280|2.325031|3.214601|7.887541|13.767896|36.858105| |1.884682|3.833019|2.431612|2.876648|3.394888|3.167213|2.602249|2.340635|3.557290|0.117655|3.609680|0.084892|4.408017|0.112066|6.811456|3.538665|3.184805|2.805228|2.697527|2.900050|3.332649|3.364866|4.052909|2.810718|4.043279|3.560677|2.375499|3.320765|6.805920|7.935660|13.763268|36.858105| |1.880085|3.793315|2.444668|2.855369|3.479318|3.412089|2.769643|2.417630|4.117700|0.140055|4.236122|0.095653|4.974019|0.117710|7.543897|4.105576|3.562448|3.173514|3.148662|3.499593|4.056008|4.139942|4.976503|3.366129|4.725714|4.045187|2.723011|3.898783|7.934492|6.939954|8.008269|13.790487|36.858105| |2.058189|4.157020|2.745992|3.191277|4.049964|4.188325|3.309557|2.783701|5.472442|0.187536|6.057709|0.126722|7.396513|0.156292|10.271443|5.506780|4.342733|3.712281|3.710451|4.350990|5.516631|5.823784|6.471360|4.205732|5.924822|4.757279|3.147301|4.598410|13.693855|7.965070|6.877875|7.895171|13.772425|36.858105| |1.632615|3.233960|2.049350|2.330318|2.755026|2.756167|2.322268|2.047295|3.309450|0.108700|3.319269|0.077670|3.521516|0.085275|5.666309|3.294552|2.989997|2.857633|2.964851|3.255054|3.460565|3.506621|4.565290|3.109295|4.157594|3.697915|2.604513|3.780398|4.594583|4.103759|4.609519|6.702629|10.041455|6.709280|2539.412838| |17.564541|16.438613|7.054995|4.784253|3.810790|3.739282|4.587937|6.732957|2.913473|0.074099|2.611821|0.077966|2.460299|0.076026|3.921659|1.975521|1.760060|1.599016|1.592016|1.744948|1.967745|2.216940|2.912649|2.359974|3.758171|3.937629|2.502378|3.050241|2.220155|2.193946|1.966668|1.809330|1.825343|2.000712|54.643478|0.500000| |17.560248|16.433486|7.014331|4.747104|3.784233|3.721320|4.573879|6.723160|2.906682|0.073392|2.733135|0.083327|2.658003|0.084491|4.311806|2.128959|1.905925|1.707702|1.672580|1.816452|2.068020|2.285610|2.925230|2.300879|3.619613|3.611702|2.307849|2.905269|2.347998|2.350036|2.071556|1.868705|1.869220|2.063783|55.001920|0.298846|0.500000| |17.648776|17.003196|5.884578|4.420093|3.416147|3.176433|3.620522|4.903473|2.537755|0.066209|2.334004|0.068741|2.294524|0.071709|3.703553|1.850856|1.673765|1.514509|1.487826|1.607323|1.807247|1.988922|2.577639|2.038076|3.191279|3.262280|2.099706|2.615082|2.110531|2.149936|1.948214|1.768607|1.747931|1.887179|52.020303|0.299967|0.300057|0.500000| |4.872239|13.487223|8.960418|17.739589|8.892159|5.617417|4.972080|5.660618|4.086937|0.114547|3.425856|0.093138|3.531972|0.114384|5.135881|2.458299|2.136279|1.881768|1.845978|2.040381|2.387087|2.717794|3.419000|2.728275|4.560645|4.510139|2.705551|3.339117|3.460886|3.683358|3.278976|2.858461|2.756301|2.977869|76.914129|0.120466|0.119436|0.121385|0.500000| |3.336643|7.626461|5.656202|8.983536|17.706150|8.901494|5.669927|4.961540|7.021100|0.228912|5.118082|0.124862|5.239926|0.161292|6.747440|3.195292|2.644652|2.300787|2.288470|2.614345|3.174082|3.812386|4.687583|3.775005|6.697065|6.141867|3.500267|4.369259|5.495180|5.428846|4.570010|4.043283|4.085811|4.650538|106.576932|0.088635|0.087988|0.082295|0.215437|0.500000| |3.922280|7.468111|5.661835|4.970392|5.668099|8.919576|17.715079|8.979674|6.938988|0.140601|6.039443|0.208407|4.515589|0.133485|6.756255|3.392928|2.762369|2.458451|2.525356|2.975053|3.594518|4.607971|5.964265|5.148963|9.227664|8.274810|4.754485|5.936700|3.548040|3.101349|2.590370|2.422431|2.620750|3.150559|76.430666|0.113545|0.113206|0.089199|0.107854|0.124260|0.500000| |7.445475|12.475296|8.861725|5.634965|4.966369|5.640066|8.964805|17.764952|4.087416|0.096667|3.680193|0.116653|3.292546|0.103315|5.153641|2.552407|2.202331|1.970010|1.969150|2.205543|2.559931|2.977781|3.846249|3.146420|5.185932|5.201903|3.186752|3.917573|2.782026|2.641520|2.272264|2.080969|2.149455|2.451118|63.099430|0.223231|0.224395|0.145685|0.124150|0.107739|0.218575|0.500000| |1.811706|3.451476|2.171340|2.274955|2.545068|2.740812|2.563584|2.285658|3.056194|0.082501|3.990871|0.108424|4.902432|0.120550|13.354216|8.958909|17.745424|8.874985|5.613643|4.948575|5.640607|4.143539|4.536234|2.777867|3.677270|3.089180|2.151201|3.215426|4.400114|3.942118|3.350645|3.137768|3.359506|3.951456|94.524437|0.048297|0.052987|0.046597|0.059060|0.071211|0.072033|0.059651|0.500000| |1.521038|2.852457|1.774132|1.838929|2.044027|2.218265|2.105513|1.881945|2.515720|0.068333|3.114679|0.084378|3.356817|0.082338|7.596647|5.665749|8.975660|17.716036|8.890577|5.662179|4.948940|3.581013|4.272820|2.569191|3.234494|2.776241|2.010208|3.081797|3.165881|2.808075|2.555778|2.558177|2.821565|3.172707|88.162359|0.041229|0.044114|0.039379|0.047981|0.057299|0.060478|0.049911|0.214253|0.500000| |1.487727|2.781315|1.744217|1.803402|2.032228|2.257627|2.142592|1.878207|2.655836|0.071888|3.223438|0.086016|3.152324|0.075725|6.514888|4.948832|5.633456|8.873833|17.734426|8.947306|5.627137|4.113168|5.323310|3.054199|3.612366|3.094913|2.324325|3.725424|2.975193|2.534752|2.328458|2.417822|2.791507|3.171948|93.121367|0.040970|0.042762|0.038331|0.046655|0.056889|0.062836|0.049901|0.123586|0.214205|0.500000| |1.710192|3.225103|2.073414|2.154290|2.508523|2.910166|2.716692|2.280765|3.679445|0.097673|4.546682|0.116802|3.934200|0.090780|7.490220|5.659221|4.949406|5.646867|8.918700|17.755462|8.951855|7.073362|10.305131|4.966551|5.291908|4.313183|3.317445|5.769309|3.593188|2.871230|2.571474|2.693948|3.264175|3.958957|108.219950|0.047607|0.048817|0.043462|0.054632|0.069866|0.081391|0.059835|0.107508|0.124082|0.214217|0.500000| |2.247795|4.229174|2.766917|2.802767|3.217924|3.810455|3.723654|3.120328|4.282273|0.111269|3.497349|0.093712|2.776683|0.073270|4.333059|2.443523|2.095788|2.021872|2.222327|2.644160|2.831326|3.567046|5.874724|6.155178|8.387669|12.540978|17.802714|12.172671|2.609018|2.273024|2.089228|2.139115|2.413086|2.710509|80.120452|0.067026|0.060645|0.056112|0.069411|0.085457|0.111790|0.081742|0.053356|0.050503|0.058216|0.079895|0.500000| |2.525953|5.285829|3.439706|4.129937|4.795602|4.321533|3.554218|3.247265|4.315808|0.128254|4.711694|0.116951|7.172368|0.233424|10.402277|4.330407|3.717199|2.977575|2.722132|2.936349|3.651439|3.728353|4.176217|2.918945|4.442370|3.804731|2.431644|3.342229|8.916532|17.716607|8.947515|5.652692|4.986640|5.656608|113.379703|0.064908|0.071380|0.064688|0.111193|0.148146|0.088162|0.078171|0.107893|0.074565|0.065856|0.073291|0.060079|0.500000| |2.038598|4.200898|2.610932|3.121696|3.485922|3.085284|2.592954|2.426410|3.175657|0.099548|3.233338|0.079887|4.117153|0.116004|6.497461|3.159606|2.908568|2.498879|2.326414|2.448241|2.834771|2.851082|3.401167|2.401913|3.546570|3.178111|2.090190|2.862085|5.626122|8.923718|17.725031|8.936195|5.678057|4.955140|130.325275|0.053159|0.056296|0.053672|0.089382|0.113575|0.065658|0.059850|0.083706|0.064525|0.058068|0.062661|0.052829|0.216017|0.500000| 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