Version2.0 2020-01-11T08:21:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 08-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]1C(=C(N=N1)C)CCC2=[NH+]C3=c4ccccc4=[NH+][C@@H](N3N2)SCC(=O)Nc5cc(ccc5OC)Cl C63708278 RHF 6-31G(d) (6D,7F) C[C@H]1C(=C(N=N1)C)CCC2=[NH+]C3=c4ccccc4=[NH+][C@@H](N3N2)SCC(=O)Nc5cc(ccc5OC)Cl C01[X(C25H28Cl1N7O2S1)] 186 C1 604 COc1ccc(cc1NC(=O)CS[C@H]1[NH+]=c2ccccc2=c2n1[nH]c([nH+]2)CCC1=C(C)N=N[C@H]1C)Cl COc1ccc(cc1NC(=O)CS[C@H]1[NH+]=c2ccccc2=c2n1[nH]c([nH+]2)CCC1=C(C)N=N[C@H]1C)Cl COc1ccc(Cl)cc1NC(=O)CS[C@H]2[NH+]=C3C=CC=CC3=C4[NH+]=C(CCC5=C(C)N=N[C@H]5C)NN24 InChIKey=JWYMKHCTAMXSQH-SXBQZSJRSA-P InChI=1S/C25H26ClN7O2S/c1-14-17(15(2)31-30-14)9-11-22-29-24-18-6-4-5-7-19(18)28-25(33(24)32-22)36-13-23(34)27-20-12-16(26)8-10-21(20)35-3/h4-8,10,12,14,25H,9,11,13H2,1-3H3,(H,27,34)(H,29,32)/p+2/t14-,25-/m0/s1 InChI=1/C25H26ClN7O2S/c1-14-17(15(2)31-30-14)9-11-22-29-24-18-6-4-5-7-19(18)28-25(33(24)32-22)36-13-23(34)27-20-12-16(26)8-10-21(20)35-3/h4-8,10,12,14,25H,9,11,13H2,1-3H3,(H,27,34)(H,29,32)/p+2/t14-,25-/m0/s1/fC25H28ClN7O2S/h27-29,32H/q+2 C[C@H]1C(=C(N=N1)C)CCC2=[NH+]C3=c4ccccc4=[NH+][C@@H](N3N2)SCC(=O)Nc5cc(ccc5OC)Cl C01[X(C25H28Cl1N7O2S1)] 186 C01 604 COc1ccc(cc1NC(=O)CS[C@H]1[NH+]=c2ccccc2=c2n1[nH]c([nH+]2)CCC1=C(C)N=N[C@H]1C)Cl COc1ccc(cc1N[C@@H](CS[C@H]1Nc2ccccc2[C@@H]2N1N[C@@H](N2)CCC1=C(C)N=N[C@H]1C)O)Cl COc1ccc(Cl)cc1N[C@H](O)CS[C@H]2Nc3ccccc3[C@H]4N[C@@H](CCC5=C(C)N=N[C@H]5C)NN24 InChIKey=VUIABGCTAHQMAJ-GTCJEREUSA-N InChI=1S/C25H32ClN7O2S/c1-14-17(15(2)31-30-14)9-11-22-29-24-18-6-4-5-7-19(18)28-25(33(24)32-22)36-13-23(34)27-20-12-16(26)8-10-21(20)35-3/h4-8,10,12,14,22-25,27-29,32,34H,9,11,13H2,1-3H3/t14-,22+,23+,24-,25-/m0/s1 InChI=1/C25H32ClN7O2S/c1-14-17(15(2)31-30-14)9-11-22-29-24-18-6-4-5-7-19(18)28-25(33(24)32-22)36-13-23(34)27-20-12-16(26)8-10-21(20)35-3/h4-8,10,12,14,22-25,27-29,32,34H,9,11,13H2,1-3H3/t14-,22+,23+,24-,25-/m0/s1 4202.3180839833 -2350.2940917 1-A 23426.3031 137 467 604 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.96989 -92.20862 -20.77906 -20.76738 -15.97296 -15.96522 -15.96047 -15.85478 -15.82823 -15.76160 -15.76002 -11.67278 -11.67263 -11.63087 -11.60166 -11.56445 -11.51662 -11.51550 -11.51272 -11.50544 -11.49403 -11.47886 -11.47332 -11.46634 -11.46339 -11.46116 -11.45212 -11.43818 -11.42815 -11.42227 -11.41739 -11.40887 -11.40696 -11.40173 -11.38116 -11.37631 -10.70309 -9.21897 -8.17249 -8.16907 -8.16900 -6.90169 -6.89983 -6.89791 -1.78550 -1.64078 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0.72012 0.72432 0.73877 0.73972 0.74816 0.75347 0.75638 0.75787 0.76944 0.77572 0.77984 0.78417 0.79712 0.80609 0.80881 0.81118 0.82034 0.82339 0.83235 0.83604 0.83822 0.85077 0.85949 0.86165 0.86470 0.87293 0.87545 0.88241 0.88317 0.88722 0.89364 0.89881 0.90090 0.90655 0.91001 0.91896 0.92308 0.92859 0.93272 0.93313 0.93648 0.94166 0.94640 0.95281 0.95785 0.96361 0.96786 0.97199 0.97376 0.97737 0.98302 0.98772 0.99216 0.99487 0.99533 0.99959 1.00629 1.00712 1.01250 1.01638 1.02086 1.02970 1.03040 1.03433 1.03897 1.04210 1.05013 1.05262 1.05493 1.06087 1.06848 1.07291 1.07486 1.07738 1.08299 1.08588 1.09183 1.10039 1.10495 1.11680 1.12013 1.12353 1.12898 1.13576 1.14388 1.16385 1.17310 1.17728 1.18821 1.19999 1.21151 1.21271 1.22326 1.23322 1.23984 1.25601 1.26032 1.26758 1.27225 1.28261 1.29347 1.29629 1.30914 1.31633 1.32407 1.34224 1.35422 1.35822 1.37595 1.40043 1.41681 1.42805 1.44102 1.44673 1.45138 1.45725 1.46193 1.46382 1.46744 1.47822 1.47944 1.49083 1.50249 1.51069 1.51999 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1.7491 1.2928 1.4676 2.0022 1.7356 1.4667 1.7029 1.6483 1.2242 2.0224 1.3664 2.7480 1.3818 1.4801 1.4574 1.0429 1.0656 1.4324 1.8397 1.0546 1.0590 1.0722 1.0784 1.7837 1.0764 2.2521 2.4271 3.4864 3.4000 6.0595 6.4149 4.9171 3.5546 5.5387 12.3333 3.2252 9.7211 1.1802 1.0830 1.0449 1.0393 1.0860 1.0573 1.0635 1.0316 1.0633 1.1027 1.1006 1.1017 1.1024 1.1012 1.1043 1.1099 1.1054 1.1059 1.0923 1.0924 1.0960 1.0921 1.0980 1.0954 1.0930 1.0789 1.0852 1.0789 0.0002 0.0007 0.0007 0.0021 0.0034 0.0073 0.0044 0.0162 0.0148 0.0118 0.0153 0.0328 0.0263 0.0404 0.0333 0.0433 0.0170 0.0591 0.0874 0.0861 0.1015 0.1096 0.1076 0.0739 0.0971 0.0661 0.0673 0.1083 0.1918 0.1734 0.2249 0.2284 0.3293 0.4992 0.3662 0.6080 0.5730 0.4776 0.6952 0.5463 0.4206 0.6106 0.5434 0.4749 0.4933 0.5450 0.7711 0.9318 0.6544 0.9358 0.8481 1.0765 1.0002 0.9716 0.7741 1.5465 2.0279 1.2779 0.3545 1.1762 1.5819 0.4819 1.3456 1.4211 1.5036 1.8076 0.8220 1.6149 1.6575 0.7201 1.2863 2.2518 1.1872 2.1277 0.7465 1.0518 0.7983 1.8671 1.3515 1.6869 0.9585 1.4706 2.2817 3.9895 1.2814 2.2603 3.1733 0.9573 1.0043 1.5062 1.9341 5.4319 1.9999 1.1001 1.3662 1.7739 1.4001 2.4526 3.1813 2.6775 2.2288 2.2026 2.0718 2.6247 2.3008 1.8746 1.2332 1.2435 1.9612 1.6071 1.5163 1.5476 1.8494 2.8941 1.9935 1.8961 2.7255 1.9074 1.6818 2.2515 2.7201 2.1508 1.6065 1.8522 2.6123 2.2976 1.9677 2.3385 2.3071 1.7524 2.9403 1.9978 4.0555 2.0612 2.2252 2.2021 1.6031 1.6573 2.2316 2.8757 1.6588 1.6747 1.7141 1.7244 2.8710 1.7366 3.7152 4.0957 6.2020 6.1623 11.3540 12.1701 9.3805 6.8307 10.8328 24.2981 6.5517 20.8474 4.5686 6.5272 6.3642 6.3413 6.6302 6.4587 6.5172 6.3735 6.6748 6.9256 6.9966 7.0059 7.0375 7.0545 7.1641 7.2013 7.2265 7.3466 7.3399 7.3989 7.4906 7.4768 7.5747 7.5722 7.7384 9.2742 9.3445 9.3530 0.1560 0.4035 0.0389 1.9902 0.5979 5.3460 0.5796 1.9011 3.3083 2.2010 12.9785 2.5810 8.0067 4.3510 5.9397 15.9292 0.5800 3.1743 9.1316 2.9606 2.4286 1.7540 5.9124 0.2969 3.9779 5.2145 3.3522 18.3652 1.3167 4.5181 1.8422 6.9905 12.6880 16.5826 0.6387 71.3948 0.9421 1.0085 0.1940 39.5291 7.4194 35.5232 11.5553 6.7411 35.7329 9.1636 71.8201 7.7904 25.9478 4.8892 16.7808 6.0012 8.4932 3.9310 29.9039 11.5647 26.5703 5.5984 120.1687 6.0069 28.5161 57.6520 7.7876 3.1734 15.7832 5.3082 30.5385 102.1171 25.6716 73.7659 3.8590 45.5283 1.5917 24.3463 46.9714 295.8703 9.8391 38.6673 1.6391 91.0621 12.4770 27.9838 20.8924 106.4500 9.2056 8.2884 29.5461 0.6063 1.4763 1.1066 7.4219 116.9672 35.8213 1.6766 3.3899 2.4605 4.1089 6.6074 26.5910 0.0511 42.5945 5.0980 66.0783 42.4183 25.3965 155.3810 3.7633 17.7977 62.7561 11.2016 7.0330 6.4900 21.3619 109.7891 2.0394 72.1806 18.9034 3.2909 8.3872 22.2596 196.2502 8.6303 14.3465 10.5183 32.8336 173.1063 0.7691 47.3824 58.9580 3.1167 24.4051 3.0689 42.2526 4.7175 35.8243 42.8885 4.7357 14.5007 174.5244 121.9053 3.6917 3.7430 17.0989 3.1535 102.4464 53.0603 206.3465 398.0402 773.9372 282.3565 125.7545 692.1780 644.1420 195.8717 217.9632 3.8065 400.6498 22.5004 2822.9770 15.2716 11.8614 15.4237 6.3947 23.7628 11.8749 37.3615 2.8625 0.7354 12.1173 26.8111 7.7575 17.9381 9.6648 24.6883 1.0774 18.4444 2.4344 0.2156 0.0171 0.9422 0.7754 1.3220 0.4610 136.6617 162.7460 134.1779 1.2732 5.5373 1.0683 2.2500 3.0424 2.0638 0.4821 1.4319 2.5880 1.1924 2.3702 1.9152 0.9937 0.7545 0.4332 2.7078 0.5647 0.3378 1.9756 2.4233 1.6246 0.2262 0.8561 0.5017 1.5667 0.3986 1.6538 1.0947 1.9161 1.4495 0.8624 2.9535 4.2601 2.2264 1.5416 4.3426 7.2046 3.0392 2.3768 4.1084 0.5657 1.2020 2.0346 1.1475 2.3185 0.9489 1.7645 9.2075 4.3424 2.3309 2.4185 6.8601 2.6374 3.1179 3.3406 1.2470 4.1201 1.4808 0.3284 3.9276 9.0319 3.8642 3.3181 3.9034 6.2208 2.8700 3.7373 6.6919 11.7711 4.1495 7.9512 28.5071 6.3155 8.4443 1.8734 44.4517 2.1765 19.8243 2.5475 5.4316 1.2416 4.9544 4.4588 6.1701 4.6088 7.8735 62.0257 0.8538 3.8506 2.6392 1.5565 3.9889 8.7712 0.3672 1.6639 2.8431 6.6754 3.9413 25.3994 1.1979 18.5783 4.6975 10.4426 16.1975 21.9883 55.1773 4.7819 22.4694 48.2434 34.9511 2.9924 17.1738 15.2963 58.5164 2.7562 4.6335 64.8137 12.2681 6.9460 44.6468 35.2847 37.1912 7.8493 8.5953 5.0740 130.6207 6.0912 12.5339 24.1653 1.8729 48.9390 12.0581 56.3200 25.9084 20.6853 5.3603 13.9585 18.2536 12.8785 42.0070 20.6994 7.9832 36.5161 19.0058 55.5044 10.0421 26.7701 20.3160 204.4799 15.6471 27.6656 70.5229 214.5978 120.9513 35.7153 53.8492 18.5438 36.4841 155.4547 68.6730 35.9013 33.8450 67.0653 306.6417 27.2159 107.0675 71.4510 62.9307 72.3742 42.7571 64.1308 41.9821 97.0179 50.9359 49.4621 93.9429 38.1328 62.2723 144.3541 59.0786 245.7555 148.6940 37.9927 41.7547 42.5225 49.7136 0.7295 0.7258 0.7009 0.7499 0.7482 0.7338 0.7304 0.7500 0.6315 0.6828 0.6773 0.7495 0.7500 0.7500 0.4791 0.5487 0.3987 0.7476 0.6036 0.1762 0.6976 0.6279 0.7471 0.4569 0.4920 0.1491 0.3588 0.3106 0.4314 0.7154 0.7320 0.3219 0.7418 0.5166 0.2291 0.4130 0.1785 0.5789 0.4649 0.7096 0.5174 0.4769 0.4755 0.3870 0.6651 0.2678 0.7439 0.4153 0.2805 0.7139 0.7400 0.3218 0.4085 0.0310 0.3625 0.1150 0.3696 0.6928 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0.7086 0.5701 0.8556 0.7528 0.2996 0.8219 0.7714 0.8553 0.6272 0.6595 0.2595 0.5282 0.4739 0.6028 0.8341 0.8453 0.4870 0.8518 0.6813 0.3728 0.5846 0.3029 0.7333 0.6347 0.8302 0.6820 0.6458 0.6445 0.5580 0.7989 0.4225 0.8531 0.5868 0.4382 0.8331 0.8506 0.4869 0.5801 0.0601 0.5321 0.2063 0.5398 0.8186 0.5643 0.4193 0.2869 0.6306 0.0328 0.3401 0.3187 0.8044 0.4883 0.7650 0.3278 0.3389 0.0942 0.3431 0.5921 0.7972 0.8139 0.3586 0.8571 0.4541 0.8303 0.5567 0.8218 0.6484 0.8554 0.3978 0.7815 0.3153 0.3177 0.8162 0.4423 0.7975 0.3987 0.8126 0.4501 0.7181 0.8456 0.6453 0.8447 0.6792 0.6672 0.2037 0.5695 0.6366 0.6091 0.4021 0.6554 0.5950 0.8339 0.6441 0.4348 0.4565 0.7841 0.5110 0.7076 0.4135 0.7879 0.5055 0.3561 0.8352 0.6335 0.3978 0.3304 0.4069 0.8443 0.8540 0.7038 0.5010 0.6308 0.4694 0.4778 0.5153 0.4862 0.8535 0.4501 0.4884 0.3306 0.7509 0.8571 0.8238 0.6548 0.3931 0.7768 0.8072 0.8200 0.7418 0.6684 0.6645 0.5298 0.7946 0.5278 0.4923 0.2132 0.7425 0.5685 0.5450 0.8286 0.2143 0.3942 0.5167 0.4806 0.6348 0.1643 0.1706 0.3812 0.0548 0.3430 0.0321 0.1315 0.8010 0.8538 0.7723 0.7090 0.8287 0.7167 0.8560 0.7625 0.7310 0.5770 0.7370 0.5672 0.7522 0.3132 0.3289 0.4389 0.3862 0.5615 0.2237 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 6 6 1 6 6 7 7 6 6 6 6 7 1 6 6 6 6 6 6 6 7 1 6 1 7 7 16 6 6 8 7 6 6 6 6 6 6 8 6 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 1.00783 14.00307 14.00307 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 34.96885 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 1.00783 1.00783 1.00783 1.00783 16747.6595 28321.4855 41602.9963 0.99994 -0.01042 -0.00123 0.01043 0.99990 0.00979 0.00113 -0.00981 0.99995 1 0.00517 0.00306 0.00208 0.10776 0.06372 0.04338 10.92 20.11 20.31 39.01 45.55 64.10 66.91 86.04 101.61 108.59 126.13 139.45 156.79 158.31 182.77 201.01 215.03 216.63 242.36 253.99 273.22 295.32 318.12 349.62 363.58 369.82 379.63 389.78 421.85 424.07 454.09 460.12 493.52 516.12 534.62 538.31 577.67 579.58 615.12 627.80 663.86 672.14 682.63 725.85 779.66 810.21 827.91 860.94 871.21 883.64 901.31 915.58 951.46 961.84 980.90 1009.00 1012.99 1031.93 1039.69 1044.90 1074.09 1100.67 1109.39 1127.20 1146.23 1154.63 1199.56 1208.68 1213.87 1239.06 1251.29 1257.17 1270.37 1280.96 1356.33 1364.95 1401.16 1410.18 1418.30 1440.19 1462.59 1467.58 1513.80 1532.37 1540.59 1565.52 1571.37 1574.43 1584.26 1614.74 1626.00 1645.00 1653.92 1667.50 1668.30 1714.56 1727.89 1737.37 1742.30 1765.35 1769.93 1785.05 1793.10 1822.99 1846.03 1853.44 1855.56 1869.47 1888.58 1911.59 1915.48 1920.26 1937.71 1951.95 1982.48 1986.62 2012.12 2048.66 2049.38 2062.49 2074.51 2078.58 2089.51 2105.77 2141.05 2156.67 2171.09 2196.57 2217.59 2242.70 2260.11 2266.49 2277.08 2289.31 2298.33 2304.04 2323.92 2337.55 2339.63 2343.52 2350.85 2357.18 2370.07 2370.19 2378.12 2380.88 2407.52 2434.93 2500.01 2523.48 2565.80 2581.80 2588.97 2598.38 2621.40 2630.97 2671.58 2744.96 3687.99 4601.78 4625.98 4630.09 4631.54 4632.80 4640.21 4659.07 4696.34 4697.44 4726.07 4726.92 4735.93 4744.34 4774.15 4774.64 4792.59 4831.17 4858.98 4878.29 4900.40 4904.40 4923.26 4928.25 4987.49 5495.68 5500.37 5518.97 0.552330 0.584016 0.584961 0.483858 -2349.741762 -2349.710075 -2349.709131 -2349.810233 3.390978D-04 MUNgauss RevisionA2.0 retrievium 11-Jan-2020 DUDE C[C@H]1C(=C(N=N1)C)CCC2=[NH+]C3=c4ccccc4=[NH+][C@@H](N3N2)SCC(=O)Nc5cc(ccc5OC)Cl C63708278 RHF 6-31G(d) (6D,10F) C1 525.171373 |X|Y|Z| 90.764983 118.537121 33.714012 71.317216 30 6 7 16 22 7 1 |36.858105| |12.445329|36.858105| |8.856234|17.495002|0.500000| |7.391986|12.653483|0.243665|36.858105| |5.579242|8.421373|0.177111|14.372490|36.858105| |5.739991|8.595356|0.182761|8.450364|13.263643|53.358707| |7.791875|13.053089|0.258819|8.232043|8.689163|21.228309|53.358707| |3.953017|5.081976|0.119540|7.349840|12.765248|10.387922|7.304904|36.858105| |5.731833|7.128221|0.173101|12.697590|7.479460|6.959219|6.865418|5.784121|36.858105| |4.492548|5.641977|0.162697|7.613727|5.490109|5.711457|5.755666|4.602123|12.352201|36.858105| |3.552431|4.013713|0.114915|4.930713|3.945804|4.329376|4.351439|3.600261|7.435951|12.714624|36.858105| |2.944124|3.291045|0.097094|3.791896|3.208959|3.687974|3.720929|2.997784|4.948035|7.540788|14.050595|53.358707| |2.834218|3.229249|0.097839|3.624995|3.121433|3.661842|3.709092|2.903820|4.433014|6.792143|9.093820|25.892846|0.500000| |2.567307|2.760869|0.079668|3.136901|2.722814|3.172458|3.187510|2.607618|4.018085|5.216221|8.620905|19.163708|0.251634|36.858105| |2.172008|2.308771|0.066818|2.553096|2.278155|2.722230|2.735575|2.209592|3.096201|3.806358|5.281368|10.226741|0.182032|13.447867|36.858105| |2.017002|2.160328|0.063486|2.339117|2.112833|2.572525|2.595715|2.043626|2.731028|3.376363|4.299792|8.275087|0.174004|7.616412|13.484882|36.858105| |1.764805|1.871400|0.054637|2.006360|1.841659|2.270720|2.285685|1.798905|2.292414|2.724164|3.309080|5.788174|0.120976|5.119747|7.942626|13.987215|36.858105| |1.658048|1.737596|0.050058|1.871191|1.727216|2.126349|2.130899|1.703229|2.144234|2.471647|3.004228|4.985618|0.099418|4.583984|6.937233|7.977845|13.542129|36.858105| |1.734369|1.805185|0.051455|1.966812|1.806974|2.201204|2.199008|1.788818|2.295334|2.610868|3.260598|5.283415|0.100161|5.202842|7.899018|6.791533|7.815738|13.832562|36.858105| |1.978256|2.066061|0.058797|2.284055|2.065896|2.477858|2.476356|2.033051|2.747132|3.180244|4.220824|7.011771|0.125013|8.001275|13.500407|7.757614|6.781220|7.971739|13.693932|36.858105| |2.055661|2.121329|0.059341|2.376433|2.144723|2.545564|2.532252|2.123972|2.912516|3.240236|4.329265|6.502939|0.111208|7.111810|7.900051|5.133876|4.541277|5.185179|7.837162|13.737727|53.358707| |1.895869|1.936773|0.053899|2.150725|1.961907|2.350197|2.335851|1.954065|2.585809|2.798962|3.566572|5.202548|0.091948|5.184465|5.793560|4.251461|4.019867|4.826302|7.376665|9.379051|25.944133|0.500000| |2.376058|2.419228|0.067233|2.726960|2.398056|2.815482|2.823113|2.330894|3.467390|3.799866|5.308802|7.343001|0.118899|7.837451|6.725991|4.511626|3.797987|3.990889|5.195631|7.874303|18.069076|0.257620|36.858105| |2.390830|2.392224|0.067098|2.625429|2.287029|2.727265|2.775001|2.182157|3.282522|3.597635|4.869160|6.833415|0.113778|6.900562|6.252917|4.432881|3.761531|3.906681|4.911482|6.925580|12.299504|0.205365|17.525595|0.500000| |2.703170|2.843795|0.079758|3.298488|2.838156|3.255014|3.254795|2.732283|4.414021|5.252641|8.825495|12.184723|0.170852|14.474431|7.978995|5.155423|3.980794|3.863743|4.643302|7.024812|11.330074|0.165369|12.790857|0.255443|53.358707| |3.300480|3.517436|0.096976|4.277623|3.518518|3.890947|3.886872|3.309325|6.405498|7.572964|14.716072|12.155248|0.171037|8.712918|5.382843|4.069764|3.228272|3.069483|3.495208|4.689935|7.230142|0.119419|7.428770|0.176167|18.993050|53.358707| |2.362745|2.346130|0.063429|2.658895|2.368580|2.777396|2.764411|2.332115|3.344881|3.344984|4.227830|5.299456|0.089985|4.731626|4.146822|3.176136|2.820204|2.991530|3.716603|4.725444|9.472821|0.187882|10.624813|0.230503|9.269568|8.021399|388.023441| |2.275752|2.318245|0.061802|2.714952|2.495853|2.874540|2.787753|2.564500|3.394476|3.319104|4.044364|4.978210|0.085897|4.236669|3.703810|2.919187|2.615175|2.763906|3.367475|4.136651|7.786263|0.154438|6.624504|0.140118|7.804013|7.344177|74.283776|36.858105| |2.593435|2.646356|0.068798|3.204814|2.957412|3.317968|3.173377|3.083616|4.081732|3.702474|4.256498|4.875991|0.084738|3.828067|3.212021|2.619703|2.321067|2.375835|2.769219|3.343606|5.704493|0.109639|4.999392|0.114553|6.850796|7.606426|48.956652|12.489591|36.858105| |3.088354|3.183442|0.081869|4.009241|3.567356|3.870089|3.707186|3.631591|5.525342|4.757015|5.436908|5.717300|0.097370|4.272969|3.389876|2.762388|2.388624|2.383774|2.731798|3.357618|5.525493|0.102030|5.089215|0.119209|7.796821|10.143893|44.084857|7.988920|15.503055|73.516695| |2.386325|2.419854|0.062323|2.893748|2.767960|3.153415|2.981788|2.966971|3.474908|3.091959|3.363325|3.956216|0.071031|3.046059|2.654916|2.239615|2.026612|2.082792|2.388585|2.773345|4.566751|0.090716|3.773345|0.090407|5.096559|5.550122|35.497890|7.906924|14.508031|15.056079|53.358707| |2.472353|2.505682|0.063301|3.014658|2.977428|3.389400|3.150634|3.282528|3.469801|2.960099|3.042270|3.549271|0.065027|2.635654|2.302314|1.993364|1.808736|1.834331|2.055314|2.347748|3.711696|0.073367|3.036822|0.075254|4.241673|4.763212|26.604106|5.017059|7.710330|11.661247|18.184529|36.858105| |2.916731|2.929425|0.072030|3.587476|3.557443|3.982554|3.673683|3.893408|4.064154|3.245557|3.187153|3.614348|0.066501|2.604130|2.238146|1.954544|1.757494|1.755963|1.943044|2.228118|3.455863|0.067341|2.887424|0.073109|4.154520|4.880489|24.472036|4.187902|6.246214|11.573047|10.478133|13.805984|36.858105| |2.810695|2.818082|0.068634|3.366324|3.507806|4.055154|3.678226|3.938892|3.537682|2.845007|2.707665|3.133641|0.058882|2.230417|1.948790|1.737411|1.576002|1.567893|1.710486|1.928559|2.925290|0.057315|2.393606|0.061659|3.445403|3.979818|19.593769|3.223768|4.312597|7.967863|6.971092|7.993614|13.755984|36.858105| |2.350124|2.372571|0.058919|2.763812|2.920239|3.481376|3.159048|3.333850|2.868030|2.417107|2.332814|2.775008|0.052639|1.996484|1.779323|1.600178|1.469219|1.471146|1.600309|1.778460|2.684415|0.053195|2.144942|0.055226|3.041794|3.404733|17.467373|2.909166|3.697819|6.467282|6.196574|6.898975|7.930082|13.824878|36.858105| |2.096521|2.127387|0.053786|2.470893|2.567368|3.058273|2.803532|2.916971|2.630618|2.289143|2.272082|2.743078|0.051855|2.009563|1.810408|1.620582|1.498274|1.516051|1.661191|1.837296|2.799272|0.056033|2.204320|0.056146|3.074390|3.362064|18.205385|3.149480|3.942019|6.477483|7.077910|7.946053|6.854846|7.957009|13.726552|36.858105| |2.135361|2.170441|0.055290|2.550148|2.582961|3.022732|2.797406|2.895522|2.821601|2.479328|2.530539|3.045382|0.056784|2.268016|2.033988|1.791503|1.650966|1.683609|1.871198|2.089658|3.251598|0.065265|2.569152|0.064304|3.542971|3.848706|21.889083|4.027486|5.249693|8.004559|10.863723|13.622069|7.883952|6.876648|7.933388|13.784564|36.858105| |1.902749|1.937597|0.050134|2.246169|2.254970|2.668998|2.493103|2.498751|2.500012|2.275100|2.378289|2.931584|0.054724|2.228579|2.037973|1.793160|1.671270|1.727447|1.933871|2.135746|3.347515|0.068357|2.576881|0.064014|3.467658|3.635998|22.069575|4.188689|4.962056|7.156922|10.025130|8.213509|5.291994|4.632461|5.192753|7.854446|14.152949|73.516695| |1.686677|1.716355|0.044652|1.955416|1.983906|2.395482|2.239665|2.198071|2.127110|1.960782|2.032098|2.548531|0.048212|1.932625|1.798692|1.608566|1.517738|1.572122|1.741175|1.886211|2.901390|0.059743|2.192096|0.055240|2.940383|3.043898|18.242269|3.271053|3.637777|5.512522|6.489630|5.237139|3.966104|3.784073|4.488330|6.663982|7.963729|23.909687|36.858105| |3.337672|3.276559|0.077167|3.818669|4.091267|4.883751|4.397655|4.399951|3.710808|2.882595|2.623451|3.021269|0.057509|2.101761|1.831774|1.655706|1.497166|1.471628|1.584804|1.781685|2.651237|0.051604|2.181269|0.057381|3.185098|3.729946|17.279834|2.679966|3.407585|6.650961|5.015954|4.789182|7.067182|10.964367|7.036550|4.764763|4.226131|5.790260|2.824116|448.794386| |17.549220|8.778151|0.211105|6.550761|4.752366|6.175573|7.643355|3.559664|6.045625|4.835476|3.945062|4.390446|0.084871|2.823208|2.362080|2.170028|1.884734|1.771277|1.863425|2.145678|3.048633|0.057129|2.641093|0.074846|4.091482|5.054594|18.597626|2.447922|2.766314|5.916615|3.396919|2.530379|2.952497|2.762430|2.305408|2.085556|2.159496|3.445327|1.706697|25.382423|0.500000| |17.607972|8.845521|0.214770|5.463773|4.547644|6.897337|9.704135|3.382551|4.392125|3.736509|3.054187|3.574999|0.071363|2.311835|1.994771|1.879590|1.659894|1.557092|1.615238|1.820732|2.550832|0.048304|2.137703|0.060256|3.262589|3.861358|15.032218|2.025309|2.265367|4.681527|2.865182|2.175823|2.521242|2.464577|2.107593|1.891612|1.913490|3.060531|1.544201|23.378196|0.301551|0.500000| |17.584465|8.802400|0.173294|6.794119|5.612076|7.787807|9.538943|4.112062|5.361316|4.004352|3.266179|3.679205|0.071550|2.406817|2.048577|1.889281|1.666803|1.582863|1.666683|1.895165|2.713698|0.051474|2.301590|0.063791|3.508552|4.270275|16.736551|2.300926|2.673370|5.633703|3.410201|2.656480|3.221146|3.169014|2.603492|2.274988|2.289341|3.573038|1.778394|31.797301|0.300284|0.301015|0.500000| |3.722929|4.467746|0.103984|5.830055|8.982096|9.404812|6.701763|17.575606|4.725070|3.751409|3.077472|3.542932|0.069784|2.321390|1.997304|1.848718|1.646758|1.573626|1.656155|1.865812|2.671062|0.050716|2.148249|0.056103|3.341185|3.976300|15.619169|2.422787|2.930156|5.988409|3.960507|3.334272|4.048843|4.380166|3.716169|3.130178|2.999464|4.520179|2.256220|41.891199|0.092200|0.089865|0.112249|0.500000| |3.443418|4.447700|0.110597|5.827345|8.964823|9.349884|6.666759|17.562653|4.733977|4.178335|3.320879|3.903634|0.078919|2.486162|2.138028|2.009491|1.777487|1.673297|1.739223|1.957729|2.743887|0.051564|2.172849|0.056578|3.462860|4.082095|15.202413|2.347213|2.740976|5.595388|3.595766|2.871404|3.266223|3.311781|2.930156|2.627272|2.602721|4.084267|2.055243|28.857260|0.086588|0.084679|0.096854|0.302922|0.500000| |3.661014|4.517507|0.109128|6.756963|8.856777|7.570370|5.973710|17.582849|6.374245|5.036432|4.054402|4.499901|0.087153|2.892949|2.418453|2.200008|1.925677|1.832738|1.944854|2.233825|3.213785|0.060028|2.598730|0.066411|4.196545|5.159878|18.588321|2.960494|3.656160|7.795777|4.746907|3.854974|4.548415|4.384978|3.654685|3.253704|3.315970|5.048735|2.445303|36.210055|0.095504|0.086334|0.105364|0.300972|0.300207|0.500000| |6.365981|6.638889|0.161203|8.937406|5.761823|6.006797|6.248876|4.577029|17.539232|8.817514|6.827089|6.327351|0.113409|3.954747|3.062720|2.671349|2.253601|2.127225|2.296566|2.756914|4.040694|0.073637|3.655910|0.098508|6.134155|8.972910|25.725326|3.491982|4.186309|10.151640|4.797383|3.473943|4.100912|3.514408|2.822724|2.588953|2.792485|4.402925|2.101870|29.783623|0.209096|0.131622|0.165985|0.111542|0.106050|0.136607|0.500000| |4.594146|5.404983|0.131091|8.945267|7.008897|6.344961|5.878403|6.443062|17.600483|8.822468|6.766166|6.311162|0.113545|3.949261|3.065526|2.665420|2.259081|2.144404|2.323461|2.784189|4.106385|0.074719|3.564441|0.090749|6.113763|8.827925|25.326920|3.845693|4.921653|12.513153|5.672460|4.215958|5.023497|4.195441|3.322955|3.048578|3.319690|5.132897|2.406530|33.637253|0.131230|0.101768|0.127640|0.146124|0.140719|0.225417|0.302920|0.500000| |3.903166|5.085483|0.147564|6.907629|5.673012|5.849821|5.637717|5.037798|8.762379|17.542697|9.102120|9.342148|0.188613|4.791041|3.644764|3.330112|2.707803|2.438223|2.540445|3.041131|4.141284|0.073432|3.405271|0.088190|6.266677|8.146675|21.343399|3.097785|3.432790|7.550857|3.998322|2.845181|3.078740|2.750434|2.377759|2.261599|2.431152|3.984926|1.947952|22.233250|0.110990|0.092880|0.098504|0.109818|0.133411|0.154095|0.172842|0.211295|0.500000| |4.839271|6.118030|0.197856|6.941323|4.971182|5.612076|6.000418|3.992503|8.732276|17.533984|9.148336|9.339461|0.187768|4.771159|3.624351|3.333021|2.692564|2.406684|2.496808|2.992543|4.053112|0.072067|3.462340|0.094656|6.240165|8.176412|21.450839|2.888473|3.135766|6.882119|3.638026|2.572032|2.815599|2.523526|2.168724|2.049231|2.193527|3.602913|1.771264|20.976033|0.147576|0.114278|0.113370|0.092814|0.103174|0.114793|0.209151|0.172651|0.303299|0.500000| |2.113596|2.293614|0.068500|2.461166|2.214785|2.711160|2.750822|2.118319|2.838924|3.615208|4.464274|8.893070|0.211618|6.879721|8.793435|17.715236|9.009156|5.656201|4.909426|5.554597|5.667079|0.097645|3.917660|0.108233|6.368335|5.399972|20.465238|2.673228|2.477095|4.729456|2.901936|1.928875|1.917678|1.718541|1.577343|1.582706|1.733084|3.052693|1.543712|13.318758|0.062966|0.054915|0.054393|0.052836|0.058263|0.062759|0.076313|0.075576|0.100244|0.101828|0.500000| |1.668832|1.772892|0.052037|1.879771|1.737973|2.166699|2.185222|1.695723|2.108203|2.492291|2.923231|4.998255|0.107951|4.129492|5.635606|8.981051|17.761938|8.842884|5.604204|4.908088|4.922710|0.091344|3.142621|0.087296|4.503820|3.814385|17.336558|2.285242|2.065663|3.785997|2.489744|1.654292|1.615958|1.464288|1.370815|1.393485|1.521729|2.733004|1.407662|11.250638|0.049195|0.043953|0.043699|0.043218|0.046887|0.049965|0.057376|0.057409|0.069485|0.069328|0.216305|0.500000| |1.517214|1.583765|0.045541|1.693628|1.576648|1.957368|1.960412|1.560244|1.913547|2.171693|2.569752|4.140540|0.083457|3.642788|4.986403|5.680120|8.883481|17.731765|9.004603|5.672456|5.709511|0.113935|3.332421|0.091342|4.339473|3.568407|18.733939|2.461807|2.132223|3.771694|2.587870|1.687659|1.612657|1.451950|1.372698|1.417889|1.566110|2.870726|1.484979|10.952819|0.044792|0.039815|0.040374|0.040300|0.042728|0.046383|0.052773|0.053237|0.059786|0.058996|0.124605|0.214675|0.500000| |1.626060|1.678839|0.047495|1.825918|1.689689|2.065751|2.058772|1.683109|2.115316|2.347764|2.870038|4.456590|0.084376|4.214736|5.616783|4.911188|5.589833|8.931246|17.735297|8.890003|9.675620|0.219418|4.747301|0.124498|5.480103|4.258105|26.085632|3.347872|2.702743|4.629178|3.221358|2.025957|1.893992|1.669747|1.574501|1.648023|1.862223|3.464503|1.765398|12.330306|0.048394|0.042151|0.043742|0.043660|0.045374|0.050804|0.059097|0.059957|0.063421|0.062196|0.106811|0.123630|0.216977|0.500000| |3.359451|3.513359|0.093298|4.391856|3.664433|3.984299|3.921412|3.519604|6.681081|6.475692|8.927447|8.227242|0.129546|6.053257|4.307013|3.375273|2.797750|2.727907|3.126391|4.036673|6.531926|0.113317|6.619932|0.154293|12.422259|24.244816|46.593391|6.515920|7.704747|22.351166|7.022652|4.316171|4.448030|3.448626|2.879752|2.841212|3.321402|5.472528|2.509191|25.224964|0.104084|0.079179|0.091572|0.087563|0.086348|0.114669|0.197094|0.209776|0.147342|0.141503|0.090801|0.068335|0.065985|0.080157|0.500000| |2.201459|2.289987|0.061696|2.697605|2.496852|2.866803|2.766027|2.591397|3.368903|3.436487|4.295456|5.480538|0.094214|4.792627|4.224506|3.267248|2.910515|3.087249|3.812174|4.778105|9.066794|0.172014|6.861620|0.138314|8.631736|7.598809|56.071152|17.583083|8.910638|12.229219|8.562893|4.394814|3.739655|2.969404|2.714434|2.935647|3.673425|6.862917|3.097670|20.106798|0.065320|0.054616|0.061174|0.067103|0.066846|0.083670|0.093286|0.105988|0.091235|0.082336|0.082034|0.069847|0.075477|0.103974|0.174286|0.500000| |2.047366|2.069465|0.055162|2.383113|2.227167|2.608190|2.527517|2.305281|2.876785|2.797344|3.291502|4.155857|0.073683|3.500020|3.211062|2.608446|2.402019|2.582929|3.136213|3.665683|6.700683|0.143338|5.241179|0.118281|6.020542|5.632690|57.018997|17.638020|8.746960|10.354504|10.262101|4.831600|3.872554|3.061041|2.851378|3.178150|4.119931|8.110048|3.580005|20.193261|0.060689|0.051170|0.057865|0.061409|0.059075|0.072960|0.082155|0.089458|0.073506|0.068972|0.066260|0.058861|0.065110|0.089396|0.132927|0.303008|0.500000| |2.124340|2.149250|0.055914|2.517730|2.427161|2.819515|2.676267|2.601293|2.957907|2.708801|2.967371|3.605093|0.065359|2.823988|2.533803|2.150119|1.975830|2.059418|2.373956|2.706736|4.475999|0.091401|3.563388|0.085605|4.640230|4.823305|33.696528|7.615837|9.574323|10.856804|25.969607|9.372413|5.788376|4.325163|4.123164|4.981641|7.771583|15.972863|5.554823|25.637549|0.061595|0.052751|0.061638|0.071207|0.065571|0.083440|0.083209|0.095693|0.072223|0.066124|0.056395|0.049589|0.052633|0.066397|0.118610|0.170443|0.241811|0.500000| |3.397820|3.372473|0.081919|4.217936|3.992887|4.366076|4.085487|4.156875|5.007874|3.784002|3.685837|4.038303|0.073390|2.876588|2.417706|2.093528|1.859512|1.844506|2.043652|2.377399|3.695363|0.071051|3.184731|0.081085|4.668604|5.733728|26.932181|4.396260|6.704747|14.406915|9.488097|8.925348|17.835420|8.939126|5.657725|4.951966|5.623366|7.606279|3.319186|54.134505|0.097149|0.079638|0.104686|0.116501|0.094760|0.134990|0.145486|0.175283|0.096539|0.090191|0.057280|0.047323|0.046727|0.054857|0.150771|0.108051|0.108312|0.143901|0.500000| |2.241229|2.258744|0.056118|2.579801|2.771178|3.394359|3.070849|3.160755|2.601300|2.211053|2.110930|2.535641|0.048578|1.814652|1.629673|1.481325|1.366252|1.364177|1.472043|1.622664|2.421192|0.048046|1.921034|0.049918|2.726083|3.032533|15.382658|2.500314|3.066650|5.429850|4.932204|4.968450|5.646455|8.941612|17.755316|8.921382|5.650816|7.440002|3.888461|53.624841|0.060355|0.056495|0.069218|0.100213|0.078315|0.093084|0.070938|0.081860|0.060788|0.055812|0.040741|0.035620|0.035515|0.040231|0.069913|0.065537|0.068283|0.093318|0.124456|0.500000| |1.886489|1.916013|0.048842|2.191187|2.288284|2.775435|2.550830|2.593328|2.304399|2.043814|2.032039|2.491904|0.047483|1.831113|1.671466|1.509441|1.407448|1.428148|1.557208|1.702415|2.572575|0.051840|1.996449|0.051104|2.766225|2.978290|16.283242|2.777974|3.315114|5.437240|5.731851|5.640661|4.947361|5.672584|8.961147|17.776266|8.909269|12.464439|7.381945|31.642194|0.051988|0.047810|0.056517|0.077317|0.066230|0.079000|0.062873|0.072879|0.056485|0.051329|0.040935|0.036525|0.037335|0.043112|0.068626|0.072904|0.079078|0.117326|0.107591|0.216658|0.500000| |1.652134|1.663002|0.043148|1.874156|1.900397|2.318657|2.177499|2.084166|2.019234|1.847424|1.901064|2.380279|0.045141|1.799048|1.675957|1.505314|1.422535|1.471114|1.622985|1.752976|2.686608|0.055441|2.047121|0.052237|2.732864|2.840620|17.118899|2.957025|3.292246|5.083117|5.775011|4.789735|3.807983|3.758940|4.573572|6.690393|7.059317|16.408000|17.606322|22.777387|0.046379|0.042181|0.048678|0.060006|0.053966|0.063531|0.055943|0.062826|0.050667|0.046736|0.040246|0.036769|0.038704|0.045738|0.064922|0.076672|0.089546|0.133501|0.088659|0.112619|0.220063|0.500000| |1.660727|1.706846|0.044397|1.949433|2.006388|2.427261|2.249853|2.260055|2.094930|1.935779|1.983478|2.493511|0.047514|1.871792|1.742322|1.571177|1.482568|1.526167|1.675266|1.809461|2.745226|0.056071|2.062196|0.052028|2.812451|2.925195|16.711709|2.966793|3.314913|5.177167|5.693288|4.725174|3.753492|3.714224|4.535960|6.662041|6.991163|16.413645|17.607229|22.543210|0.046309|0.042309|0.048604|0.064796|0.059221|0.069751|0.056788|0.065935|0.054032|0.048544|0.042104|0.038362|0.040096|0.046931|0.066413|0.079986|0.087805|0.128295|0.087360|0.112058|0.223106|0.298060|0.500000| 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