Version2.4 2021-05-20T11:17:00Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 05-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(c(c1)NC(=O)N2CCCN(CC2)[C@@H]3C=C(N=N3)c4ccncc4)Br C65257471 RHF 6-31G(d) (6D,7F) c1ccc(c(c1)NC(=O)N2CCCN(CC2)[C@@H]3C=C(N=N3)c4ccncc4)Br C01[X(C20H21Br1N6O1)] 141 C1 477 O=C(N1CCCN(CC1)[C@H]1N=NC(=C1)c1ccncc1)Nc1ccccc1Br O=C(N1CCCN(CC1)[C@H]1N=NC(=C1)c1ccncc1)Nc1ccccc1Br Brc1ccccc1NC(=O)N2CCCN(CC2)[C@@H]3C=C(N=N3)c4ccncc4 InChIKey=LVXXQGKAXJAFNH-LJQANCHMSA-N InChI=1S/C20H21BrN6O/c21-16-4-1-2-5-17(16)23-20(28)27-11-3-10-26(12-13-27)19-14-18(24-25-19)15-6-8-22-9-7-15/h1-2,4-9,14,19H,3,10-13H2,(H,23,28)/t19-/m1/s1 InChI=1/C20H21BrN6O/c21-16-4-1-2-5-17(16)23-20(28)27-11-3-10-26(12-13-27)19-14-18(24-25-19)15-6-8-22-9-7-15/h1-2,4-9,14,19H,3,10-13H2,(H,23,28)/t19-/m1/s1/f/h23H c1ccc(c(c1)NC(=O)N2CCCN(CC2)[C@@H]3C=C(N=N3)c4ccncc4)Br C01[X(C20H21Br1N6O1)] 141 C01 477 O=C(N1CCCN(CC1)[C@H]1N=NC(=C1)c1ccncc1)Nc1ccccc1Br O=C(N1CCC[N@](CC1)[C@H]1N=NC(=C1)[C]1[CH][CH][N][CH][CH]1)N[C]1[CH][CH][CH][CH][C]1Br Br[C]1[CH][CH][CH][CH][C]1NC(=O)N2CCCN(CC2)[C@@H]3C=C(N=N3)[C]4[CH][CH][N][CH][CH]4 InChIKey=LVXXQGKAXJAFNH-LJQANCHMSA-N InChI=1S/C20H21BrN6O/c21-16-4-1-2-5-17(16)23-20(28)27-11-3-10-26(12-13-27)19-14-18(24-25-19)15-6-8-22-9-7-15/h1-2,4-9,14,19H,3,10-13H2,(H,23,28)/t19-/m1/s1 InChI=1/C20H21BrN6O/c21-16-4-1-2-5-17(16)23-20(28)27-11-3-10-26(12-13-27)19-14-18(24-25-19)15-6-8-22-9-7-15/h1-2,4-9,14,19H,3,10-13H2,(H,23,28)/t19-/m1/s1/f/h23H 2939.0835126544 -3740.9858577 1-A 19202.3801 113 364 477 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.07808 -64.48917 -58.62825 -58.62656 -58.62630 -20.51665 -15.63631 -15.62645 -15.60129 -15.58911 -15.57668 -15.56599 -11.38163 -11.30861 -11.30209 -11.29950 -11.28619 -11.28082 -11.27433 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495.6104 518.5963 529.3400 547.9732 585.6523 598.0999 602.3698 661.1012 693.4552 717.8222 727.3638 733.6310 741.4523 767.6545 812.7080 820.3344 845.3989 857.3849 860.2807 890.8325 909.8629 926.0596 944.7131 947.6712 965.8955 974.7952 987.8256 991.5396 997.6223 1015.3702 1038.6390 1049.1283 1089.7139 1092.7621 1100.1553 1100.7385 1101.8045 1113.8681 1129.5999 1131.4697 1131.9869 1152.6026 1170.5983 1175.0047 1178.5332 1188.9411 1201.2478 1213.4645 1237.1001 1241.2901 1250.1722 1267.4315 1300.9553 1318.4080 1343.7683 1352.2009 1367.8258 1368.5047 1376.3499 1382.1597 1393.1563 1414.2402 1417.9894 1430.3670 1443.6941 1486.0789 1487.2900 1507.3710 1531.7916 1536.9256 1550.5216 1559.1447 1571.5883 1574.3756 1584.8538 1604.9729 1623.5794 1646.9184 1648.6934 1659.2978 1663.8630 1678.9131 1686.7686 1723.3146 1762.6959 1792.2985 1797.3567 1801.1940 1831.1967 1887.4868 1922.0359 3166.8311 3190.3509 3203.8707 3206.6279 3222.7649 3241.0511 3255.6880 3268.5900 3277.9961 3285.8072 3348.1637 3368.4074 3370.6857 3371.5988 3387.8537 3394.9725 3405.3445 3423.8556 3452.5936 3457.6512 3930.0962 7.4052 7.8725 3.9145 6.6998 6.4703 5.8451 6.0095 7.0981 5.8517 5.4410 5.4762 4.4533 3.5411 3.0799 4.0527 5.9106 4.0398 5.3912 4.5847 6.9131 3.3123 4.8091 4.7349 4.6994 5.0573 2.6642 4.5443 3.7347 2.5998 3.1833 1.9860 3.0519 2.1313 3.7267 2.6215 2.7529 4.8925 3.3765 3.6243 4.5611 6.7972 5.9849 3.4730 3.8234 2.9666 4.0757 2.3331 1.8601 2.3992 3.4789 1.8089 1.8605 7.9796 2.6475 1.8122 1.8707 1.4814 2.0192 1.9813 2.4193 4.1172 1.3796 7.1122 2.5056 1.5187 3.4528 6.2764 1.3598 1.5740 2.0830 2.2139 2.0952 2.0611 2.3664 1.9929 2.0037 3.2991 2.0396 2.7638 1.7731 1.9172 3.1346 1.3888 1.5908 1.3031 1.6472 2.0302 1.8128 1.6059 1.5646 1.3467 2.1797 1.6319 1.9968 1.3929 1.4036 1.3126 1.9403 1.4865 1.3829 1.4189 1.7133 2.0080 1.4781 2.1644 1.1074 2.4196 1.0903 1.0940 1.1090 2.2302 1.1339 2.1773 7.0163 3.2872 5.0561 6.3233 7.5808 10.7038 8.0752 1.0730 1.0734 1.0657 1.0738 1.0838 1.0790 1.0866 1.0932 1.0936 1.1021 1.0919 1.0893 1.0887 1.0921 1.0941 1.0962 1.0967 1.0948 1.0997 1.0937 1.0766 0.0004 0.0005 0.0008 0.0027 0.0056 0.0111 0.0185 0.0290 0.0398 0.0541 0.0627 0.0668 0.0667 0.0742 0.1103 0.1988 0.1655 0.2762 0.2579 0.4463 0.2222 0.3534 0.3883 0.4327 0.5161 0.3014 0.5613 0.4799 0.3674 0.4607 0.3147 0.5038 0.3771 0.7531 0.5525 0.5885 1.2598 0.9566 1.1003 1.4218 2.1554 1.9385 1.2058 1.4879 1.1762 1.7162 1.0105 0.8111 1.1218 1.6968 0.9140 0.9783 4.2223 1.4553 1.0146 1.0755 0.8581 1.1840 1.2035 1.5377 2.6700 0.9653 5.0039 1.7868 1.0841 2.4696 4.5881 1.0223 1.1872 1.5726 1.7329 1.6916 1.6766 1.9365 1.6598 1.7035 2.8622 1.8391 2.5090 1.6327 1.8145 3.1258 1.4223 1.6924 1.4038 1.8157 2.2402 2.0233 1.8075 1.7891 1.5869 2.5822 1.9672 2.4520 1.8124 1.8293 1.7572 2.6824 2.0688 1.9588 2.0322 2.4933 2.9325 2.1875 3.2849 1.7199 3.8667 1.7461 1.7746 1.8090 3.7038 1.9008 3.8097 12.8444 6.2216 9.6236 12.0868 14.9773 22.4675 17.5763 6.3402 6.4370 6.4453 6.5055 6.6323 6.6776 6.7856 6.8815 6.9233 7.0107 7.2118 7.2818 7.2876 7.3142 7.3989 7.4441 7.4932 7.5618 7.7238 7.7041 9.7973 0.3174 0.0632 0.0397 0.3859 0.1526 4.4559 2.6568 2.3913 5.7367 0.1923 2.7598 1.3080 0.0826 2.7830 2.5435 0.9720 1.4060 0.2056 8.3756 2.2371 0.0229 14.3761 11.0586 2.9467 1.5219 0.0407 2.3498 19.4947 14.5260 7.5130 8.5329 3.4620 26.8654 24.5743 5.0009 11.1118 15.9153 9.8840 0.4085 17.8116 5.0810 26.8178 3.7849 0.4827 3.3019 8.7364 81.8320 34.3485 9.9889 0.8658 7.5996 26.1834 0.7682 0.1523 15.0432 6.1587 3.0877 0.2652 27.8863 26.6948 5.1356 3.8839 7.9914 5.5184 2.6942 1.5059 29.9561 1.3263 3.2793 12.4387 11.5886 7.5001 34.2253 3.7014 1.0142 9.8008 14.7005 5.5993 8.8434 3.9720 67.4017 122.1038 5.9505 199.3489 2.0747 13.8271 4.8190 68.4554 13.3689 92.3368 54.5835 73.7596 22.2592 132.4597 12.2713 6.2409 42.8866 167.1380 78.4320 4.8610 11.9223 127.9263 46.5268 19.3329 161.8525 0.5501 6.1738 1.9400 18.8334 5.9182 20.0527 104.1047 413.8358 39.4468 131.2100 126.1074 85.2309 29.3170 1.4258 391.8782 32.0429 28.6006 43.0267 58.9952 3.7671 16.0760 68.4072 51.1465 44.8249 37.4679 10.4656 25.9651 4.8754 37.9040 20.8693 14.5310 11.3978 2.2798 0.3423 0.5544 37.8354 1.5801 2.7296 8.3527 1.0878 1.4517 2.8114 2.6206 0.7881 1.5003 0.5872 1.2776 1.7410 1.8636 0.9120 0.7378 0.9498 2.0259 2.6759 2.2169 3.2762 0.5333 0.9474 3.4846 1.2952 1.6008 0.0387 1.2295 1.7727 3.9941 0.4298 0.5017 1.0104 2.0888 2.1173 0.3020 0.6247 3.4169 6.8014 3.7692 2.9281 7.3870 2.7261 3.6105 0.4083 1.7773 1.7518 4.7805 2.4017 2.2648 7.0334 2.0724 3.5794 9.8208 9.6751 2.4381 6.3046 5.5857 4.5171 3.0386 1.4887 9.0123 0.4486 39.9283 2.2806 2.6212 13.4169 14.2981 0.3284 2.1248 3.2699 13.6633 3.0164 14.5771 20.0314 6.0343 13.1890 22.5874 8.8914 25.9379 2.6961 3.1409 23.9557 1.9184 17.1082 12.7035 5.0974 39.0519 28.5419 18.7630 6.3445 10.9070 25.7618 7.7796 14.2408 4.6815 10.4891 2.8327 4.7672 2.4373 3.0014 5.5272 3.0190 4.5230 3.8766 9.3910 11.1355 5.7267 11.7744 7.0366 16.6093 3.3771 6.2734 4.3029 5.8799 12.9435 73.9262 20.4351 418.3610 179.0216 23.4195 44.5261 53.2356 89.8617 106.9377 82.4406 142.3283 99.9266 60.7353 44.9257 108.8067 27.1850 112.1460 65.7033 130.8981 150.4038 77.5741 155.1538 73.9800 36.9310 69.3566 43.6569 0.7260 0.7495 0.7497 0.7496 0.7172 0.7087 0.7287 0.6448 0.7341 0.7403 0.6789 0.7386 0.7119 0.0731 0.4940 0.6081 0.2642 0.3793 0.7497 0.4545 0.7498 0.7093 0.0947 0.6131 0.7437 0.7459 0.3874 0.6382 0.1540 0.6162 0.4447 0.3797 0.1653 0.7477 0.7476 0.6877 0.7175 0.2162 0.0739 0.6794 0.7472 0.5760 0.5370 0.3814 0.4521 0.4084 0.3129 0.1090 0.6003 0.1600 0.6119 0.6867 0.1406 0.0719 0.6295 0.5377 0.4689 0.6453 0.2377 0.3687 0.5105 0.7500 0.1520 0.6667 0.6874 0.5123 0.2595 0.6595 0.7301 0.6862 0.0778 0.4161 0.6260 0.6609 0.4944 0.4004 0.7444 0.1956 0.7269 0.7418 0.6386 0.3474 0.5862 0.1827 0.1605 0.7139 0.3014 0.2876 0.3824 0.6823 0.4831 0.3498 0.3376 0.2588 0.7254 0.5391 0.6741 0.6277 0.6946 0.6824 0.4874 0.7471 0.6128 0.4208 0.5420 0.7446 0.3412 0.7341 0.7359 0.6960 0.4032 0.7414 0.7418 0.4298 0.7253 0.5047 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0.4865 0.4763 0.4461 0.7390 0.4437 0.1595 0.3276 0.4595 0.2123 0.6721 0.5647 0.5994 0.5424 0.8333 0.8388 0.3165 0.5274 0.2493 0.2757 0.3475 0.5689 0.3462 0.2256 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 6 6 6 6 6 6 7 6 8 7 6 6 6 7 6 6 6 1 6 6 7 7 6 6 6 7 6 6 35 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 14.00307 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 1.00783 1.00783 1.00783 1.00783 6101.7064 32176.0560 34685.3041 0.99993 0.00909 0.00770 -0.00879 0.99924 -0.03804 -0.00804 0.03797 0.99925 1 0.01420 0.00269 0.00250 0.29578 0.05609 0.05203 13.74 14.31 26.64 37.35 55.34 81.67 104.10 119.87 154.57 186.97 200.53 229.55 257.16 290.84 309.27 343.73 379.41 424.24 444.59 476.27 485.45 508.13 536.80 568.76 598.77 630.48 658.74 671.94 704.61 713.07 746.14 761.60 788.41 842.62 860.53 866.68 951.18 997.73 1032.79 1046.51 1055.53 1066.78 1104.48 1169.31 1180.28 1216.34 1233.59 1237.75 1281.71 1309.09 1332.39 1359.23 1363.49 1389.71 1402.51 1421.26 1426.60 1435.36 1460.89 1494.37 1509.46 1567.86 1572.24 1582.88 1583.72 1585.25 1602.61 1625.24 1627.93 1628.68 1658.34 1684.23 1690.57 1695.65 1710.62 1728.33 1745.90 1779.91 1785.94 1798.72 1823.55 1871.78 1896.90 1933.38 1945.52 1968.00 1968.97 1980.26 1988.62 2004.44 2034.78 2040.17 2057.98 2077.15 2138.14 2139.88 2168.77 2203.91 2211.29 2230.85 2243.26 2261.17 2265.18 2280.25 2309.20 2335.97 2369.55 2372.10 2387.36 2393.93 2415.58 2426.88 2479.47 2536.13 2578.72 2586.00 2591.52 2634.68 2715.67 2765.38 4556.36 4590.20 4609.66 4613.62 4636.84 4663.15 4684.21 4702.77 4716.31 4727.54 4817.26 4846.39 4849.66 4850.98 4874.37 4884.61 4899.53 4926.16 4967.51 4974.79 5654.53 0.425785 0.448260 0.449204 0.367682 -3740.560073 -3740.537598 -3740.536653 -3740.618175 2.734261D-04 MUNgauss RevisionA2.1 retrievium 20-May-2021 DUDE c1ccc(c(c1)NC(=O)N2CCCN(CC2)[C@@H]3C=C(N=N3)c4ccncc4)Br C65257471 RHF 6-31G(d) (6D,10F) C1 440.096021 |X|Y|Z| 125.096972 49.692352 32.930266 58.935530 26 6 7 20 6 |36.858105| |13.742194|36.858105| |7.988268|13.806891|36.858105| |6.950414|7.969908|13.764758|36.858105| |7.901581|6.789392|7.846283|13.683945|36.858105| |13.802413|7.909871|6.877984|7.995746|13.655593|36.858105| |5.138889|4.529342|5.151324|7.878415|13.596393|7.769226|53.358707| |4.340592|3.693336|3.920157|5.201960|7.707813|6.286268|18.798542|36.858105| |4.599612|3.717385|3.722587|4.608625|6.715311|6.654885|11.459587|15.825617|73.516695| |3.329528|2.963906|3.182923|4.066993|5.214216|4.371914|11.176048|13.968417|15.049344|53.358707| |2.946655|2.735421|3.027944|3.872187|4.561024|3.698702|9.303956|7.634124|9.422965|17.845067|36.858105| |2.689079|2.589292|2.941804|3.731873|4.057750|3.246168|7.539159|5.658150|7.625062|10.391698|12.425748|36.858105| |2.322076|2.229570|2.470183|2.992664|3.233820|2.734978|5.591200|4.519210|6.677354|8.199128|7.379677|12.459160|36.858105| |2.387452|2.244915|2.430331|2.913309|3.251872|2.834165|5.577410|4.933932|7.669609|9.013298|6.361595|7.640533|13.059050|53.358707| |2.383207|2.189244|2.317485|2.754656|3.179405|2.861062|5.507277|5.217446|8.321589|10.401203|6.644829|6.146256|7.834534|17.757795|36.858105| |2.843846|2.527803|2.639451|3.190726|3.914798|3.562795|7.112106|7.924482|12.608647|17.807669|7.626833|5.754527|5.738507|10.399761|12.466323|36.858105| |2.116216|2.010450|2.156485|2.506578|2.724533|2.439256|4.401415|3.748235|6.208769|6.130446|4.309910|5.098577|7.845807|18.111373|7.820998|5.252040|36.858105| |2.078033|2.007483|2.179744|2.524886|2.672900|2.366078|4.240506|3.456917|5.680325|5.435669|3.961847|4.996139|7.484033|12.636063|5.681670|4.294388|17.527828|0.500000| |2.109684|1.983226|2.085086|2.379151|2.609598|2.410767|4.086721|3.545441|6.254145|5.448395|3.566775|3.890553|5.029760|10.388931|6.277788|4.877218|12.717693|0.250351|36.858105| |1.857210|1.750103|1.824357|2.048274|2.228230|2.091438|3.436032|2.929684|5.207393|4.489539|3.025433|3.231655|4.119009|7.584530|5.169762|4.024423|8.419349|0.183041|14.408252|36.858105| |1.738090|1.649875|1.733814|1.952559|2.106171|1.955811|3.280127|2.749875|4.743221|4.343570|3.081827|3.352949|4.490070|7.722501|5.256195|3.823132|8.566237|0.187275|8.444325|13.178044|53.358707| |1.840438|1.754046|1.866844|2.132978|2.297182|2.090735|3.650308|3.048481|5.096646|4.973401|3.650497|4.156111|6.151092|10.560191|6.392201|4.291963|12.895831|0.259132|8.212653|8.653162|21.248073|53.358707| |1.714886|1.613629|1.659541|1.830198|1.983595|1.902153|2.985997|2.518538|4.591780|3.733507|2.503023|2.604492|3.130799|5.371462|3.881940|3.291757|5.113560|0.123594|7.453571|12.935211|10.327488|7.298085|36.858105| |1.530828|1.447955|1.487098|1.627215|1.748987|1.682719|2.616312|2.171234|3.926696|3.222833|2.213952|2.296290|2.735430|4.453865|3.273730|2.789293|4.072526|0.101656|5.063267|7.651883|8.993069|6.336661|13.724124|36.858105| |1.432531|1.355307|1.380527|1.493563|1.599925|1.558065|2.358472|1.940478|3.549271|2.825261|1.935936|1.984966|2.293999|3.647853|2.708613|2.406774|3.180182|0.081429|3.860761|5.083980|6.074388|4.735316|7.985930|13.745173|36.858105| |1.461287|1.378246|1.393415|1.497813|1.606988|1.580940|2.343887|1.929345|3.583170|2.758148|1.863628|1.896052|2.149508|3.427834|2.548041|2.337151|2.926569|0.075500|3.632015|4.469042|5.070540|4.140253|6.828096|7.979043|14.449406|53.358707| |1.611727|1.512453|1.526069|1.644918|1.775706|1.750932|2.588283|2.151754|4.047389|3.047801|2.021039|2.053521|2.321663|3.788078|2.799658|2.601361|3.244283|0.083145|4.261054|5.077978|5.296053|4.381310|7.980593|7.057302|8.445854|19.602916|36.858105| |1.770238|1.657037|1.685449|1.841178|2.001334|1.949902|2.960951|2.499624|4.683872|3.585153|2.350167|2.409050|2.783270|4.727890|3.445121|3.123809|4.213150|0.105148|6.151467|7.618870|6.833517|5.516197|13.685543|8.015157|7.069283|10.875041|13.800051|36.858105| |4.096046|4.610384|6.732304|9.970120|6.615858|4.573084|8.385147|4.403369|6.586112|5.299399|4.112698|4.406050|3.397087|4.214836|2.796261|3.054006|2.660746|0.076659|2.424793|2.086305|2.767116|3.086241|1.834222|1.640540|1.491661|2.010834|1.608347|1.808897|2539.412838| |17.722131|8.913374|5.667282|4.992512|5.641783|8.984209|5.674910|3.767759|7.358102|4.051900|2.624732|2.387907|2.106586|2.977679|2.212573|2.630647|1.963699|0.053280|1.982712|1.765210|2.241556|2.349543|1.650585|1.479881|1.395910|1.948839|1.577763|1.716661|113.212967|0.500000| |8.879418|17.731186|8.938403|5.660648|4.909510|5.630507|4.910649|3.065387|5.537557|3.459194|2.370891|2.267548|1.987940|2.724107|1.953172|2.219912|1.819681|0.050631|1.805368|1.609933|2.068114|2.184112|1.498693|1.353517|1.275472|1.770291|1.422022|1.544002|130.696580|0.213837|0.500000| |5.659294|8.907195|17.753973|8.955839|5.620381|4.957697|5.706045|3.306101|5.552706|3.811619|2.734934|2.730222|2.318131|3.064459|2.124129|2.360729|2.025286|0.057503|1.949351|1.717791|2.235625|2.406626|1.566814|1.412687|1.314235|1.802337|1.443009|1.586431|223.984601|0.124185|0.214399|0.500000| |8.940050|5.642379|4.962883|5.682747|8.947993|17.823715|9.681229|6.852516|14.637271|6.361478|3.763089|3.189195|2.737823|3.953293|3.031559|3.918204|2.490254|0.065906|2.492470|2.171039|2.748499|2.917468|1.983614|1.750927|1.623025|2.247056|1.833351|2.041867|129.440512|0.216751|0.124036|0.107745|0.500000| |4.309883|4.071506|4.880354|7.531697|9.429903|5.799488|26.175864|9.350925|10.888319|10.499277|7.943741|6.822733|4.584579|5.807988|4.052526|4.888435|3.321888|0.090458|2.975191|2.506350|3.320228|3.760784|2.154570|1.899974|1.703376|2.284531|1.839611|2.106056|255.399526|0.098723|0.092284|0.115678|0.145652|0.500000| |3.156420|2.948222|3.305902|4.305239|5.051663|3.982669|10.417324|7.153802|8.852282|12.453765|17.610648|8.813100|5.451734|6.416584|4.854425|5.685632|3.490976|0.091779|2.992642|2.588490|3.572271|4.131247|2.198628|1.968455|1.747266|2.304096|1.827669|2.091430|156.029884|0.077163|0.070421|0.082543|0.110247|0.268120|0.500000| |2.592424|2.403835|2.608771|3.205512|3.706044|3.170631|6.912355|5.791508|7.954096|12.569058|17.574878|8.805537|6.856287|8.117088|7.008654|7.353715|4.168692|0.103868|3.436842|3.016542|4.306094|5.102990|2.504196|2.248643|1.960783|2.544149|2.004353|2.317475|114.689748|0.065494|0.058831|0.066229|0.091292|0.154537|0.308003|0.500000| |2.966452|2.895585|3.377043|4.424209|4.695568|3.594150|8.689295|6.061803|8.113904|9.632556|8.870151|17.553552|8.883357|9.173306|5.214526|5.206084|4.846994|0.138300|3.864029|3.136965|4.275765|5.163103|2.554740|2.229335|1.942498|2.554622|2.052499|2.409122|186.776509|0.071903|0.069654|0.086818|0.095383|0.228440|0.207573|0.173675|0.500000| |2.488613|2.441199|2.796767|3.483790|3.632154|2.932131|6.381212|4.500301|6.302264|7.619112|8.879599|17.511785|8.941260|7.626998|4.775033|4.454253|4.208266|0.118053|3.279183|2.828745|4.081004|5.000316|2.327816|2.096433|1.827988|2.368543|1.861857|2.149615|147.463119|0.061577|0.059976|0.073502|0.079112|0.163064|0.220958|0.208169|0.302804|0.500000| |2.206068|2.156066|2.409381|2.880289|3.007498|2.546190|4.981401|3.858297|5.866251|6.396041|5.470996|8.948617|17.590162|12.497131|5.700164|4.467477|7.629128|0.247185|4.885472|4.024022|5.986045|8.181285|3.073099|2.698810|2.266331|2.887004|2.284671|2.729684|114.972338|0.055582|0.053798|0.063775|0.069737|0.113854|0.123739|0.139551|0.222750|0.213938|0.500000| |2.106342|2.021494|2.216727|2.636467|2.838556|2.452962|4.809564|3.864922|5.838082|6.978839|6.500172|8.834703|17.472539|12.304385|7.253267|5.126834|6.588791|0.168832|4.423860|3.895592|6.160452|8.540052|3.009906|2.709296|2.268945|2.854322|2.225132|2.630050|100.874909|0.053633|0.050517|0.058131|0.068760|0.108410|0.138927|0.194425|0.174430|0.221678|0.303650|0.500000| |2.209702|2.025794|2.113677|2.456602|2.811378|2.605979|4.659732|4.340141|7.429533|7.678508|4.849883|4.597163|5.786688|12.386991|17.597956|9.021491|7.751208|0.150187|7.296747|6.417231|8.565844|9.448586|4.729043|3.896695|3.147664|3.992238|3.238616|4.079988|83.590568|0.057805|0.050715|0.054048|0.077330|0.093471|0.106505|0.142226|0.114262|0.105196|0.130340|0.155290|0.500000| |2.211732|2.047465|2.172516|2.566325|2.919222|2.627470|5.020143|4.508851|7.068232|8.911549|6.720823|6.051874|7.641034|12.357398|17.523612|8.779722|6.252878|0.135734|4.907128|4.401411|6.612156|8.160745|3.430981|3.033909|2.531688|3.200391|2.519610|3.010001|90.187660|0.057198|0.051020|0.055739|0.076930|0.105121|0.137789|0.230153|0.133575|0.138924|0.151834|0.236819|0.305940|0.500000| |2.696266|2.376319|2.440215|2.889542|3.533546|3.336990|6.174241|6.432719|10.895106|12.344785|6.375122|4.673930|4.610315|7.618721|8.901497|17.506515|4.255827|0.098577|4.055985|3.572298|4.710958|5.129063|3.043890|2.650771|2.321356|3.067698|2.474440|2.898746|92.836455|0.070474|0.058467|0.060760|0.104237|0.117207|0.143434|0.191244|0.116169|0.107484|0.102814|0.122840|0.213010|0.220694|0.500000| |2.984830|2.617689|2.690314|3.209747|3.973716|3.735982|6.861660|7.811757|14.959671|12.629575|5.698316|4.772100|4.840538|9.104064|8.887714|17.696531|5.133125|0.117545|5.303990|4.247823|5.141612|5.538760|3.540779|2.915636|2.534403|3.415128|2.862829|3.486350|101.180875|0.077310|0.063888|0.066430|0.116056|0.125530|0.128289|0.146307|0.129271|0.105098|0.111774|0.117825|0.225187|0.174376|0.303281|0.500000| |2.290124|2.140368|2.237039|2.547582|2.813497|2.620237|4.342213|3.799108|6.923627|5.553284|3.489310|3.737798|4.489735|8.864331|5.526211|4.857999|8.366363|0.196889|17.801766|8.799325|7.842473|7.727008|6.347724|4.379888|3.565083|4.804290|4.321750|6.236314|86.380733|0.059776|0.053967|0.057714|0.075326|0.086090|0.082560|0.090868|0.107267|0.086964|0.121508|0.107123|0.169786|0.119155|0.110924|0.157801|0.500000| |1.477865|1.403538|1.449234|1.590147|1.702321|1.626177|2.561601|2.111882|3.762764|3.178203|2.228264|2.328940|2.814979|4.485720|3.289187|2.733131|4.115454|0.103055|4.719286|7.009117|10.241701|6.948887|8.877859|17.773357|8.905382|7.756040|5.052852|5.665722|55.182370|0.039564|0.036433|0.038356|0.046846|0.052143|0.054946|0.063578|0.062026|0.059617|0.077365|0.079145|0.107661|0.086982|0.072479|0.077406|0.109836|0.500000| |1.329117|1.261803|1.285079|1.384816|1.476299|1.438741|2.169446|1.769031|3.218077|2.576077|1.786706|1.830056|2.100998|3.266060|2.432546|2.169440|2.798064|0.072479|3.245363|4.122567|5.290040|4.236121|5.662897|8.919930|17.707644|12.729638|5.923176|5.052690|47.231212|0.036038|0.033099|0.034103|0.041545|0.043684|0.045102|0.050559|0.049555|0.047308|0.057788|0.058383|0.077330|0.064356|0.058694|0.062639|0.083249|0.214727|0.500000| 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