Version2.0 2020-02-03T09:42:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H](C)[C@@H]1C(=O)N(C2([NH2+]1)CCN(CC2)C(=S)Nc3ccc(cc3)F)Cc4cccc(c4)C(F)(F)F C40399790 RHF 6-31G(d) (6D,7F) CC[C@@H](C)[C@@H]1C(=O)N(C2([NH2+]1)CCN(CC2)C(=S)Nc3ccc(cc3)F)Cc4cccc(c4)C(F)(F)F C01[X(C26H31F4N4O1S1)] 195 C1 606 CC[C@H]([C@H]1[NH2+]C2(N(C1=O)Cc1cccc(c1)C(F)(F)F)CCN(CC2)C(=S)Nc1ccc(cc1)F)C CC[C@H]([C@H]1[NH2+]C2(N(C1=O)Cc1cccc(c1)C(F)(F)F)CCN(CC2)C(=S)Nc1ccc(cc1)F)C CC[C@@H](C)[C@H]1[NH2+]C2(CCN(CC2)C(=S)Nc3ccc(F)cc3)N(Cc4cccc(c4)C(F)(F)F)C1=O InChIKey=ZNGJBYWXIWXAEK-VGOFRKELSA-O InChI=1S/C26H30F4N4OS/c1-3-17(2)22-23(35)34(16-18-5-4-6-19(15-18)26(28,29)30)25(32-22)11-13-33(14-12-25)24(36)31-21-9-7-20(27)8-10-21/h4-10,15,17,22,32H,3,11-14,16H2,1-2H3,(H,31,36)/p+1/t17-,22-/m1/s1 InChI=1/C26H30F4N4OS/c1-3-17(2)22-23(35)34(16-18-5-4-6-19(15-18)26(28,29)30)25(32-22)11-13-33(14-12-25)24(36)31-21-9-7-20(27)8-10-21/h4-10,15,17,22,32H,3,11-14,16H2,1-2H3,(H,31,36)/p+1/t17-,22-/m1/s1/fC26H31F4N4OS/h31-32H/q+1 CC[C@@H](C)[C@@H]1C(=O)N(C2([NH2+]1)CCN(CC2)C(=S)Nc3ccc(cc3)F)Cc4cccc(c4)C(F)(F)F C01[X(C26H31F4N4O1S1)] 195 C01 606 CC[C@H]([C@H]1[NH2+]C2(N(C1=O)Cc1cccc(c1)C(F)(F)F)CCN(CC2)C(=S)Nc1ccc(cc1)F)C CC[C@H]([C@H]1[NH2][C@]2(N(C1=O)Cc1cccc(c1)C(F)(F)F)CCN(CC2)[C@@H](Nc1ccc(cc1)F)S)C CC[C@@H](C)[C@H]1[NH2]C2(CCN(CC2)[C@H](S)Nc3ccc(F)cc3)N(Cc4cccc(c4)C(F)(F)F)C1=O InChIKey=BTUFTYCIUNQXTJ-CUHUQNRHSA-N InChI=1S/C26H33F4N4OS/c1-3-17(2)22-23(35)34(16-18-5-4-6-19(15-18)26(28,29)30)25(32-22)11-13-33(14-12-25)24(36)31-21-9-7-20(27)8-10-21/h4-10,15,17,22,24,31,36H,3,11-14,16,32H2,1-2H3/t17-,22-,24-/m1/s1 InChI=1/C26H33F4N4OS/c1-3-17(2)22-23(35)34(16-18-5-4-6-19(15-18)26(28,29)30)25(32-22)11-13-33(14-12-25)24(36)31-21-9-7-20(27)8-10-21/h4-10,15,17,22,24,31,36H,3,11-14,16,32H2,1-2H3/t17-,22-,24-/m1/s1 4233.8192241453 -2090.3745704 1-A 23033.3529 137 469 606 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.98261 -26.41719 -26.41256 -26.41252 -26.39426 -20.68439 -15.86052 -15.74943 -15.71943 -15.71361 -11.58366 -11.50712 -11.50639 -11.48398 -11.45696 -11.41738 -11.40807 -11.40701 -11.39572 -11.39309 -11.38724 -11.38177 -11.38132 -11.35817 -11.35335 -11.35189 -11.34789 -11.34549 -11.34477 -11.34449 -11.34264 -11.33948 -11.33824 -11.33371 -11.33341 -11.31420 -8.99424 -6.67757 -6.67468 -6.67370 -1.81397 -1.71430 -1.71279 -1.70735 -1.56490 -1.51576 -1.44295 -1.39738 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0.85231 0.86150 0.86336 0.87897 0.88356 0.89314 0.89395 0.90886 0.91290 0.92365 0.92453 0.93389 0.93732 0.94575 0.94931 0.95845 0.96335 0.96740 0.97761 0.98129 0.98341 0.99787 0.99964 1.00373 1.00831 1.00966 1.01367 1.01429 1.02261 1.02280 1.03070 1.03324 1.03745 1.03768 1.04195 1.04621 1.05083 1.05874 1.06151 1.06585 1.06990 1.07098 1.07523 1.08205 1.08982 1.09182 1.09505 1.09824 1.10145 1.10814 1.11128 1.11376 1.12114 1.12421 1.13082 1.13684 1.14726 1.15306 1.15784 1.16089 1.17210 1.18081 1.19186 1.20331 1.21183 1.22111 1.22642 1.23492 1.25102 1.25414 1.25867 1.26437 1.26674 1.27649 1.28522 1.28660 1.29439 1.29946 1.30732 1.31598 1.32475 1.32935 1.34035 1.34400 1.35111 1.35638 1.36115 1.37808 1.38489 1.39747 1.40476 1.40826 1.41502 1.42355 1.43000 1.45621 1.46378 1.46867 1.48342 1.51119 1.51240 1.52389 1.55018 1.55335 1.56553 1.56822 1.57220 1.57851 1.58749 1.58860 1.59296 1.59872 1.60561 1.61315 1.62177 1.62467 1.63097 1.63639 1.64268 1.64619 1.65435 1.65729 1.66189 1.67351 1.67956 1.69569 1.70337 1.71967 1.73194 1.74319 1.75828 1.77182 1.77678 1.80137 1.81152 1.82719 1.83766 1.85184 1.85685 1.86912 1.87231 1.89076 1.90472 1.90764 1.92203 1.92644 1.93666 1.94545 1.95208 1.96269 1.97350 1.98574 1.99172 1.99656 1.99835 2.00419 2.00735 2.01981 2.03463 2.03702 2.04161 2.04712 2.05246 2.05782 2.06709 2.07457 2.07649 2.09301 2.09779 2.10118 2.10544 2.10883 2.12233 2.12500 2.12680 2.14333 2.14939 2.16260 2.16871 2.17514 2.18083 2.19011 2.20400 2.20696 2.20984 2.21212 2.21364 2.22168 2.22840 2.22964 2.24045 2.24589 2.24932 2.25955 2.26885 2.27643 2.28760 2.29113 2.29507 2.29968 2.30852 2.31561 2.32083 2.33496 2.33875 2.34565 2.35132 2.35473 2.35804 2.36383 2.37274 2.37472 2.38620 2.39588 2.41359 2.42757 2.43261 2.44591 2.44937 2.46446 2.46788 2.47823 2.48849 2.50117 2.50969 2.51731 2.52867 2.53213 2.53901 2.54303 2.54708 2.55059 2.55539 2.56517 2.57611 2.58154 2.58450 2.60791 2.61456 2.62447 2.63598 2.64948 2.65648 2.66906 2.68448 2.68677 2.69577 2.70781 2.71794 2.72327 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 5.7493 8.4801 16.3821 22.9911 26.9389 33.8261 43.6756 48.6966 56.4050 72.8904 74.8880 85.7487 94.7526 107.1233 117.4901 134.7103 155.2162 171.4444 184.2428 196.7758 216.0652 228.9051 249.3488 258.3853 264.8673 278.8466 280.9711 313.2488 324.0201 349.6289 355.0154 357.3936 366.7587 382.7792 384.2962 412.3052 421.9125 435.7412 458.6495 460.7456 471.1627 473.7320 488.8918 499.9624 514.8834 534.6619 548.9751 554.2476 563.4137 585.1388 601.9629 609.4855 627.5608 635.6072 665.3083 686.4874 689.2649 702.1364 705.0177 720.2504 743.6429 759.9414 775.6429 789.1058 798.3695 825.7473 832.2117 851.2058 855.6947 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3260.8442 3263.5760 3268.9455 3276.1950 3276.2975 3288.8541 3290.1858 3291.9709 3294.5991 3294.7403 3324.4991 3351.4841 3359.6152 3377.6777 3379.2473 3381.2183 3385.1663 3395.5436 3405.0300 3410.1644 3411.6323 3417.0582 3673.1745 3745.2805 3827.5327 8.7831 14.2974 7.0125 7.3790 7.4992 4.8695 4.3267 7.2026 3.1528 2.5037 4.4548 3.3985 5.3332 6.9481 6.3170 6.7825 4.9543 6.2215 4.2208 4.3602 1.0913 3.5413 4.3610 2.9044 2.7138 2.2018 5.9859 2.7333 4.6000 2.5425 2.7652 5.7228 7.9548 2.6400 4.7757 4.7988 2.9376 3.6238 2.3474 3.6802 3.0554 4.3239 3.3361 2.8067 3.6643 3.6453 3.8650 4.6171 3.8123 3.4634 4.2658 3.9135 5.7592 9.2204 4.4150 2.5211 3.8086 3.4315 3.9388 7.5888 2.7738 3.9863 4.5994 2.5397 3.6482 5.7665 1.8321 3.2187 1.7804 4.4973 1.6327 1.9659 1.5886 1.2607 3.6313 3.3658 2.1905 2.4640 2.3580 2.9856 2.3489 2.0537 1.7603 1.4913 2.1353 1.3851 2.1551 1.3819 5.8960 1.3541 1.7513 2.3543 2.5729 2.5294 1.8842 2.4348 1.4814 2.2335 2.8766 1.7776 2.0777 1.8582 1.8806 2.7554 2.2521 2.2264 2.7371 1.2255 2.2881 2.0528 1.9280 1.6987 2.2992 1.7133 2.2854 11.1906 1.3794 1.9272 5.4928 3.0030 1.3350 1.5387 1.8114 1.4368 1.3170 1.2894 1.7630 1.6398 1.6205 3.1022 1.4668 1.3635 1.3472 1.3979 1.4609 1.4288 1.5360 1.3504 1.7914 2.5760 1.4115 1.3671 2.4627 1.3941 2.9548 1.0992 1.0583 1.1149 1.1109 1.0439 1.0968 1.0482 1.0780 1.1387 1.0627 2.4090 1.9202 2.1611 6.7261 5.4074 1.0841 5.6833 5.2884 11.9440 1.0837 1.0576 1.0697 1.0659 1.0419 1.0619 1.0774 1.0806 1.0964 1.0833 1.0876 1.0960 1.0891 1.0906 1.1018 1.0799 1.1031 1.1023 1.0980 1.0922 1.0914 1.0955 1.0903 1.0911 1.0947 1.0959 1.0970 1.0956 1.0560 1.0960 1.0773 0.0002 0.0006 0.0011 0.0023 0.0032 0.0033 0.0049 0.0101 0.0059 0.0078 0.0147 0.0147 0.0282 0.0470 0.0514 0.0725 0.0703 0.1077 0.0844 0.0995 0.0300 0.1093 0.1598 0.1142 0.1122 0.1009 0.2784 0.1580 0.2845 0.1831 0.2053 0.4307 0.6304 0.2279 0.4155 0.4806 0.3081 0.4054 0.2909 0.4603 0.3996 0.5717 0.4698 0.4133 0.5723 0.6140 0.6863 0.8357 0.7130 0.6987 0.9107 0.8565 1.3364 2.1947 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0.0468 0.0971 0.7202 0.4112 0.6065 0.4388 6.6449 4.3474 1.1007 3.1672 0.0981 5.0253 1.2121 3.3355 0.8617 4.5600 1.3987 7.8477 3.0973 0.1477 0.2850 4.0442 1.2450 1.0028 1.0303 2.9100 4.3406 1.7187 0.7925 1.2032 0.9066 8.3153 1.7082 3.7309 17.6124 2.9647 8.7804 0.9745 4.3072 0.0895 5.4839 0.7676 3.3189 9.8038 4.4605 0.3243 14.5716 24.8091 0.4255 7.2953 23.4640 2.8555 5.7214 16.6263 25.9330 2.0652 23.6606 4.7954 25.0665 36.0971 1.0429 6.2695 41.6520 9.0210 14.6747 1.5583 16.5305 0.1928 6.1689 0.9777 3.0403 27.7111 1.3058 24.5016 5.1458 48.4503 4.4118 0.2603 11.0104 21.0670 15.9208 6.5454 30.3924 0.2583 5.0682 47.0897 1.1926 1.2146 0.9858 2.9264 17.8474 1.0567 45.6619 23.9743 19.4907 5.5044 19.3606 68.0715 12.4076 59.7323 21.8451 13.0780 58.2596 9.9332 15.2990 7.3916 16.2005 38.2043 20.9218 1.6379 78.9799 58.9277 48.0610 63.5192 275.2917 124.1673 39.1216 204.5737 191.3992 23.8270 45.8236 202.4195 1.6006 5.7696 19.2249 216.8604 259.0870 125.5670 149.7910 12.5885 2.5147 13.3935 30.8979 70.6230 49.6798 179.9337 58.1848 139.0786 29.2834 12.3537 22.3039 348.8293 24.1534 34.4150 2.0188 2.5149 19.4649 10.9990 9.1041 10.2617 17.7253 9.2160 21.4613 6.2929 5.5834 8.3947 550.9359 3.6279 0.4852 66.7710 20.5237 6.3954 342.4690 22.4031 54.9446 31.4182 10.3584 21.4396 8.4986 6.8693 26.1300 4.6487 34.0486 21.1005 29.7123 1.0197 13.3627 41.4719 13.8057 10.6276 7.8825 1.1151 6.0325 12.2759 1.8474 3.0675 4.5153 1.5192 1.0279 0.4939 1.6844 51.5841 72.2838 99.7916 1.3731 0.3736 1.1477 2.0857 1.3376 0.8916 9.2830 1.9250 0.3579 0.5342 1.3927 0.7778 0.2489 0.7032 1.7510 1.9930 2.5646 0.8745 0.1709 2.5205 0.0828 0.6368 2.7045 0.6744 1.3158 0.2439 2.0410 0.5114 0.9325 2.0752 1.8121 0.9311 1.6266 1.0871 0.9226 7.6514 1.5566 1.8511 0.3448 0.5111 0.5537 1.1151 0.5398 1.1732 0.9659 0.4151 1.0665 1.8813 1.6546 2.9380 1.2751 2.2941 2.5184 0.1966 1.7381 6.4151 6.7048 5.8633 2.5741 2.2182 16.2965 3.4080 2.3991 0.9802 12.9499 14.7471 2.3498 1.5728 2.1238 1.5489 4.6715 6.2008 0.9897 3.2973 25.4893 3.7586 4.6087 2.4344 2.8945 3.4747 1.3613 5.1306 1.1321 4.0254 1.2200 1.7407 1.6386 0.6418 27.7513 0.3081 9.1741 2.5085 0.3913 8.6022 0.5306 13.5734 2.2082 2.5330 1.1968 3.1433 1.9153 2.2609 4.4054 3.6242 5.0800 8.2930 3.1668 3.3723 3.1145 4.3854 1.5643 7.6374 2.5058 0.8555 24.2416 1.8300 5.3867 4.4533 1.3575 7.0827 1.1638 8.2204 0.5652 9.3109 1.8967 15.3999 12.4559 0.4701 1.7589 7.1548 6.0120 2.5776 1.5147 4.4190 7.1696 1.9270 5.4712 3.0056 1.2479 5.5722 1.8056 2.5345 38.1551 4.2282 0.2890 7.6543 27.7536 12.0463 6.8962 11.1873 2.5773 26.2969 1.4195 11.3897 3.2202 0.9108 1.4208 11.9920 6.5130 12.6127 6.3556 52.5607 18.1727 11.2043 50.6086 69.2875 47.3601 44.4717 133.6596 110.0541 11.7561 75.9140 74.6458 41.7364 20.9279 71.1287 36.0975 36.8137 61.1317 121.2866 71.6018 45.4508 37.4112 44.8098 78.5470 89.5258 78.3394 35.9404 53.2764 126.0474 124.2342 151.0778 33.6990 24.4407 55.1088 0.7497 0.7490 0.7483 0.7487 0.7482 0.7438 0.7058 0.6697 0.7136 0.6582 0.7436 0.6989 0.7488 0.7476 0.6994 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12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 31.97207 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 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 1.00783 1.00783 1.00783 17069.3595 29990.0121 38962.7553 0.99885 0.04772 -0.00475 -0.04768 0.99882 0.00880 0.00516 -0.00857 0.99995 1 0.00507 0.00289 0.00222 0.10573 0.06018 0.04632 8.27 12.20 23.57 33.08 38.76 48.67 62.84 70.06 81.15 104.87 107.75 123.37 136.33 154.13 169.04 193.82 223.32 246.67 265.08 283.12 310.87 329.34 358.76 371.76 381.08 401.20 404.25 450.70 466.19 503.04 510.79 514.21 527.68 550.73 552.92 593.22 607.04 626.93 659.89 662.91 677.90 681.59 703.41 719.33 740.80 769.26 789.85 797.44 810.63 841.88 866.09 876.91 902.92 914.50 957.23 987.70 991.70 1010.22 1014.36 1036.28 1069.94 1093.39 1115.98 1135.35 1148.68 1188.07 1197.37 1224.70 1231.15 1240.71 1257.53 1309.06 1332.21 1344.22 1345.81 1375.51 1381.41 1401.03 1432.77 1456.70 1467.80 1474.73 1487.67 1519.58 1522.32 1546.14 1550.63 1558.99 1568.46 1578.95 1581.88 1598.71 1601.55 1605.26 1621.07 1639.90 1644.97 1678.21 1701.81 1707.83 1724.38 1738.96 1751.07 1782.26 1798.34 1823.51 1831.12 1841.22 1845.71 1866.69 1881.18 1890.14 1899.78 1923.60 1931.93 1940.76 1958.20 2003.39 2012.11 2016.84 2032.28 2035.82 2050.67 2069.72 2072.59 2088.34 2103.07 2120.08 2127.31 2140.69 2163.06 2176.23 2185.91 2191.33 2193.50 2207.92 2226.63 2231.39 2254.48 2261.56 2262.25 2266.49 2273.94 2283.02 2324.53 2329.51 2344.40 2351.19 2356.66 2358.10 2368.06 2371.67 2377.71 2390.08 2390.80 2399.87 2429.22 2452.79 2578.84 2585.91 2614.95 2618.82 2629.55 2883.18 4565.89 4591.61 4608.73 4619.45 4622.53 4659.52 4691.63 4695.56 4703.28 4713.71 4713.86 4731.93 4733.84 4736.41 4740.19 4740.40 4783.21 4822.04 4833.74 4859.72 4861.98 4864.82 4870.50 4885.43 4899.08 4906.47 4908.58 4916.38 5284.88 5388.62 5506.97 0.592659 0.624075 0.625019 0.523086 -2089.781911 -2089.750496 -2089.749552 -2089.851485 3.418850D-04 MUNgauss RevisionA2.0 retrievium 03-Feb-2020 DUDE CC[C@@H](C)[C@@H]1C(=O)N(C2([NH2+]1)CCN(CC2)C(=S)Nc3ccc(cc3)F)Cc4cccc(c4)C(F)(F)F C40399790 RHF 6-31G(d) (6D,10F) C1 523.215472 |X|Y|Z| 83.969040 117.041026 47.789976 77.731678 25 6 7 21 4 |36.858105| |12.456496|36.858105| |7.414511|12.359169|36.858105| |6.914641|8.918749|17.475327|0.500000| |6.116215|7.432881|12.415699|0.246575|36.858105| |4.883639|7.566806|12.361418|0.250322|7.445231|36.858105| |4.690584|7.213466|8.796859|0.211593|5.464806|17.607231|0.500000| |4.032569|5.794353|7.278382|0.152079|6.270313|12.496236|0.247748|36.858105| |4.124417|5.860237|6.204474|0.129355|5.693991|7.915022|0.185674|16.017553|73.516695| |3.199505|4.185964|5.274738|0.123523|4.979601|8.118049|0.180676|14.020147|14.864661|53.358707| |3.020551|3.845203|5.023906|0.128820|4.518686|7.789848|0.185203|8.100753|9.697874|17.813943|36.858105| |3.762035|4.940362|7.518989|0.200535|6.070309|12.671760|0.253120|8.188310|9.739002|11.489994|12.491699|53.358707| |3.587121|4.528962|6.437454|0.195842|5.045701|9.021381|0.229840|5.942221|7.818882|8.234805|8.996393|25.712147|0.500000| |3.741612|4.676812|7.399893|0.201590|7.062759|9.209715|0.182474|6.906404|8.851403|9.832439|9.166759|25.675883|0.326827|0.500000| |2.576009|3.086009|3.947317|0.105837|3.880712|5.100962|0.123702|5.224062|7.150211|10.210794|12.412395|10.512103|0.185383|0.213973|36.858105| |2.162771|2.537385|3.048402|0.082087|2.982129|3.802143|0.098299|4.040298|5.928450|7.544365|7.384384|6.760836|0.129246|0.132588|12.415899|36.858105| |2.085860|2.451418|2.867453|0.078249|2.687008|3.617083|0.098936|3.723461|5.531830|6.534478|6.480770|6.214801|0.126368|0.114706|7.663712|13.115178|53.358707| |2.255942|2.722080|3.128930|0.083672|2.828698|4.150894|0.118166|4.393311|6.466265|7.713593|7.408867|6.739293|0.134426|0.116590|6.522673|7.919573|17.802893|36.858105| |2.740738|3.444361|4.123209|0.109763|3.523221|6.077144|0.177203|5.979123|8.056403|10.305220|12.340490|10.480615|0.207504|0.159497|7.471513|6.559158|10.600923|12.402738|36.858105| |1.955958|2.252745|2.611998|0.073321|2.433830|3.171682|0.088293|3.102887|4.694432|5.082111|4.928103|5.416019|0.117014|0.101731|5.763217|7.766289|18.889194|7.760803|5.909518|36.858105| |1.933456|2.180315|2.566099|0.073897|2.435887|2.985148|0.081359|2.818595|4.279489|4.481367|4.306197|5.219652|0.116003|0.103256|5.413595|6.222109|9.639911|4.914277|4.545422|11.365461|388.023441| |1.814459|2.073789|2.335257|0.065629|2.151704|2.796061|0.080054|2.736354|4.244388|4.315492|3.939312|4.517602|0.098250|0.084139|4.198100|5.228454|11.214823|6.595852|4.967670|14.172756|51.733288|53.358707| |1.696679|1.937424|2.133468|0.059050|1.973085|2.545544|0.073388|2.569397|4.077849|4.023660|3.463753|3.935798|0.083255|0.073296|3.554504|4.453012|8.929551|6.150464|4.369206|7.627496|34.196462|18.118213|36.858105| |1.662366|1.892809|2.041211|0.056581|1.862491|2.416878|0.071243|2.419684|3.898463|3.665876|3.075370|3.615417|0.076999|0.066778|3.006560|3.512966|6.496030|5.070560|3.937389|5.258500|26.901896|10.701791|13.738328|36.858105| |1.538160|1.739910|1.846089|0.050739|1.698645|2.157745|0.063413|2.200164|3.621871|3.295073|2.655721|3.144636|0.065868|0.058631|2.581907|2.989024|5.176035|4.103967|3.274564|3.938417|21.462342|7.008771|7.922438|13.759125|36.858105| |1.462891|1.650009|1.754192|0.047841|1.640246|2.040647|0.058986|2.123844|3.523047|3.219964|2.546317|2.973926|0.061286|0.056121|2.526883|3.000335|5.044522|3.876581|3.030234|3.702656|20.356356|6.208052|6.935666|8.017485|13.823041|36.858105| |1.483585|1.676147|1.807791|0.049195|1.710831|2.111025|0.060033|2.217685|3.646609|3.444872|2.744558|3.135421|0.064104|0.059661|2.816700|3.509203|5.924658|4.275984|3.201206|4.277227|22.917165|6.970780|7.934889|6.868962|7.897569|13.805302|36.858105| |1.592263|1.809048|1.986760|0.054393|1.875615|2.347294|0.066430|2.437298|3.920700|3.864148|3.206216|3.594049|0.074094|0.068180|3.386355|4.437939|8.153820|5.376416|3.799558|6.138409|29.910578|10.547181|13.723771|7.930209|6.853258|8.004383|13.774371|36.858105| |1.361430|1.524240|1.600821|0.043515|1.504990|1.837872|0.053049|1.924279|3.244466|2.874565|2.219469|2.632247|0.053918|0.050018|2.189630|2.540154|4.077992|3.153407|2.575089|2.954313|17.009640|4.715235|4.681700|5.319297|8.184317|14.405870|8.182856|5.316865|97.533100| |2.686431|3.337011|3.881384|0.093220|3.905586|5.075738|0.123447|7.775407|12.028396|17.556269|7.278617|7.020376|0.115852|0.134405|5.964504|5.305785|6.092707|5.140160|5.545743|3.421763|21.105343|4.029157|2.873306|2.600053|2.401762|2.420243|2.629635|2.886805|4.919843|36.858105| |2.565267|3.062465|3.562919|0.086054|3.918009|4.203354|0.099899|5.824100|9.827707|10.333320|5.306669|5.860580|0.098460|0.122385|5.115414|4.530176|4.966206|3.821802|4.031231|2.932963|19.071279|3.452929|2.447212|2.210878|2.063104|2.102542|2.298105|2.500487|4.336222|12.557804|36.858105| |2.723777|3.204709|3.604816|0.085264|4.158438|3.970423|0.094124|5.436918|10.347115|7.938069|4.202650|5.153734|0.087693|0.109196|3.925535|3.443119|3.970220|3.080384|3.329194|2.447049|16.262112|2.947304|2.096865|1.935014|1.824529|1.849124|1.985587|2.125201|3.868815|7.527295|13.647156|36.858105| |2.471733|2.780838|3.088198|0.075101|3.674388|3.224468|0.077659|4.012540|7.518109|5.742222|3.366410|4.279057|0.075041|0.092962|3.322984|2.977699|3.436462|2.584964|2.741015|2.174483|14.798769|2.632991|1.871492|1.727773|1.637938|1.668511|1.794326|1.910203|3.517746|5.010828|7.904285|13.798612|36.858105| |2.180230|2.416746|2.719323|0.068118|3.194122|2.853048|0.069456|3.396935|6.060628|5.089110|3.169710|3.969336|0.070807|0.087269|3.328919|3.066522|3.459293|2.515261|2.596599|2.201123|15.177283|2.645608|1.874580|1.709829|1.619374|1.663737|1.811823|1.936966|3.502682|4.420558|6.821963|7.923242|13.711084|36.858105| |2.095166|2.352395|2.698198|0.068427|3.078339|2.931970|0.071593|3.482642|5.950846|5.573410|3.563055|4.257811|0.075967|0.093365|3.954480|3.750035|4.050939|2.868097|2.885955|2.529219|17.342068|2.987638|2.109183|1.888860|1.777428|1.839414|2.037756|2.205292|3.835551|5.008032|7.902528|6.889400|7.970367|13.806260|36.858105| |2.242603|2.593841|3.024018|0.075876|3.347090|3.462397|0.083954|4.303548|7.101023|7.529617|4.614872|5.122302|0.089260|0.109934|5.121209|4.851713|5.028252|3.604156|3.605769|2.994162|19.858047|3.477112|2.452297|2.172487|2.025968|2.093060|2.335159|2.560264|4.309173|7.557186|13.775675|7.968328|6.901287|7.932894|13.707363|36.858105| |1.839533|2.028669|2.312049|0.060137|2.593145|2.486679|0.061892|2.819930|4.771090|4.467139|3.054135|3.687174|0.067767|0.080836|3.539578|3.533535|3.831885|2.615272|2.562497|2.454638|17.195001|2.904891|2.048160|1.818917|1.714985|1.789988|2.004167|2.170691|3.739068|3.809511|5.054821|4.462293|5.032063|7.562534|12.660928|7.671038|36.858105| |1.728563|1.872322|2.100551|0.054878|2.374980|2.202695|0.055189|2.459633|4.242213|3.750419|2.567089|3.202736|0.059512|0.070280|2.889658|2.850591|3.212118|2.218578|2.195073|2.107235|14.933584|2.536979|1.795864|1.616195|1.535158|1.599050|1.770285|1.894079|3.374534|3.115387|4.005377|3.850670|4.624305|6.975755|8.119977|5.275166|14.470047|97.533100| |1.694456|1.874381|2.108284|0.055074|2.296350|2.303191|0.058387|2.616320|4.438020|4.181854|2.891888|3.410722|0.063436|0.072976|3.338197|3.555403|3.919856|2.658504|2.512745|2.500292|17.147926|2.989245|2.145115|1.892875|1.801418|1.911015|2.168803|2.328101|4.005385|3.653831|4.541926|3.889627|4.139613|5.516717|8.150517|6.626593|14.398405|20.086180|97.533100| |1.860938|2.046037|2.375632|0.062788|2.664709|2.549890|0.063231|2.801684|4.616803|4.474347|3.210374|3.911366|0.072555|0.087370|3.936726|3.895997|4.104131|2.705652|2.663089|2.667932|19.316743|3.096594|2.136665|1.876472|1.745767|1.809243|2.035399|2.246413|3.741314|3.611533|4.512194|3.899274|4.185120|5.619526|8.161533|6.491598|14.354008|20.094758|20.177715|97.533100| |17.581800|8.726636|6.561375|0.164887|6.617573|4.395145|0.112134|3.835697|7.092909|4.213131|2.874949|4.783479|0.091390|0.100400|2.509317|2.106782|2.722272|2.135770|2.552224|1.868804|13.222511|2.346752|1.615014|1.571290|1.459478|1.399710|1.428031|1.530445|2.939101|2.653237|2.612401|2.840469|2.628702|2.303152|2.175595|2.291290|1.902799|4.057274|3.904091|4.317057|0.500000| |17.540805|8.751984|6.805969|0.208166|5.553388|4.565349|0.123598|3.625074|6.319753|4.064154|2.931290|5.068688|0.102217|0.103738|2.541991|2.131766|2.812767|2.208784|2.683914|1.967390|14.039970|2.485039|1.690981|1.656932|1.523909|1.442264|1.461974|1.576593|3.011076|2.495305|2.381004|2.477699|2.270423|2.044161|1.987298|2.122202|1.769812|3.743734|3.673034|4.076159|0.301118|0.500000| |17.581391|8.849135|5.451241|0.142537|4.625004|4.090860|0.113999|3.542435|6.626801|3.883926|2.683472|4.373349|0.086005|0.087347|2.299572|1.974705|2.622180|2.096124|2.503611|1.812811|12.643747|2.318007|1.608909|1.591658|1.484871|1.410992|1.420742|1.511813|2.973364|2.457263|2.336792|2.487938|2.269191|2.003562|1.921266|2.049122|1.696296|3.605188|3.546780|3.833611|0.303229|0.302151|0.500000| |8.834135|17.586516|8.829601|0.174447|6.792773|6.840013|0.177782|6.308072|12.993832|5.938543|3.756241|6.124323|0.111012|0.118405|3.005219|2.507569|3.277518|2.700868|3.351112|2.179311|14.780088|2.738055|1.906239|1.862600|1.729857|1.653976|1.681345|1.799736|3.457253|3.588034|3.302325|3.567317|3.043679|2.573203|2.467467|2.724228|2.094325|4.353291|4.357379|4.674891|0.211887|0.172603|0.211060|0.500000| |8.907151|17.518685|8.864945|0.214662|5.469069|7.187142|0.228600|5.358172|9.408291|5.426823|3.788520|6.513197|0.127568|0.119655|2.994731|2.506670|3.386153|2.812797|3.596026|2.305078|15.685289|2.928223|2.014760|1.994560|1.829565|1.715643|1.725112|1.858948|3.560808|3.180386|2.831071|2.886669|2.498340|2.202925|2.176273|2.420037|1.898740|3.931768|4.000994|4.315810|0.173210|0.209104|0.218608|0.303859|0.500000| |4.620598|5.404189|8.642738|0.207577|17.496621|6.806634|0.138336|5.913090|8.962650|7.160006|4.990587|9.174980|0.152012|0.253064|4.538939|3.343304|3.969090|2.982225|3.688831|2.634140|19.106955|3.104953|2.065299|1.920171|1.738768|1.686113|1.778015|1.970143|3.460438|4.103893|4.233997|4.314779|3.861970|3.474997|3.427576|3.732569|2.894196|5.888850|5.671191|6.855637|0.135953|0.123584|0.102595|0.139396|0.122213|0.500000| |6.758968|6.705623|8.819819|0.216790|17.619490|5.464580|0.122996|4.659401|7.889410|5.285793|3.643328|6.416353|0.116730|0.149969|3.263755|2.593931|3.217091|2.457605|2.980064|2.184751|15.787063|2.658241|1.794267|1.703756|1.561322|1.507283|1.565940|1.707412|3.129098|3.208888|3.273396|3.516781|3.260476|2.885759|2.744455|2.891910|2.367756|4.981050|4.721006|5.489980|0.226681|0.176290|0.137561|0.164915|0.138388|0.305312|0.500000| |5.545261|6.821716|8.759482|0.173240|17.589290|6.591104|0.138626|6.741833|12.132691|7.039119|4.299451|7.090295|0.118860|0.159838|3.676917|2.902167|3.540428|2.769001|3.371563|2.319762|16.201087|2.808991|1.922793|1.817592|1.675220|1.630867|1.702394|1.849287|3.387147|4.255350|4.411374|5.025119|4.356200|3.583774|3.338844|3.613628|2.727548|5.637010|5.409734|6.140129|0.172869|0.131481|0.123358|0.203545|0.140383|0.301551|0.301878|0.500000| |2.564233|3.013691|3.890126|0.109531|3.774588|4.800686|0.118808|4.465789|6.248922|7.694095|8.936550|10.370992|0.208488|0.220628|17.571991|9.025427|9.325656|5.588623|6.545513|6.059573|46.839154|5.880341|3.484209|2.959093|2.504220|2.414270|2.665480|3.228246|4.699743|4.507957|4.039286|3.309562|2.901324|2.922780|3.379254|4.084767|3.134899|5.926912|6.629082|8.020809|0.069034|0.071802|0.063313|0.079441|0.081791|0.123821|0.090294|0.095783|0.500000| |2.588898|3.061065|3.939357|0.103618|4.160923|4.807373|0.112207|5.148222|7.244889|9.857744|8.838331|9.114950|0.153975|0.210919|17.576465|8.789146|7.600293|4.945929|5.493560|4.461010|31.332843|4.682535|3.016587|2.595917|2.287770|2.271691|2.530045|2.959068|4.510923|6.217168|6.076541|4.552375|3.897584|3.992688|4.888176|6.430978|4.261773|7.620784|8.632553|10.935535|0.071519|0.070422|0.063828|0.083816|0.080315|0.140979|0.096736|0.111346|0.301477|0.500000| |1.999777|2.294298|2.738219|0.074911|2.731227|3.263463|0.084431|3.381639|5.096466|5.931250|5.475224|5.708357|0.112246|0.116911|8.911539|17.694816|12.469619|5.709012|4.925168|7.371839|49.890012|6.765077|4.155211|3.254537|2.787717|2.825474|3.342405|4.238182|5.419003|4.244122|3.923043|3.087563|2.774373|2.939478|3.621227|4.425042|3.607887|6.567243|8.215379|9.368384|0.054492|0.055204|0.050800|0.062639|0.062682|0.085785|0.067309|0.073390|0.225219|0.209842|0.500000| |2.089303|2.452042|2.886604|0.076072|2.867022|3.577214|0.092297|4.040629|6.096135|7.713484|6.456875|5.941877|0.110209|0.116926|8.752522|17.601116|12.670061|7.233879|5.732770|5.854209|33.317380|6.078180|4.152961|3.338783|2.947528|3.047944|3.614873|4.398872|5.884196|6.223401|5.283102|3.815207|3.258440|3.381580|4.270337|5.857076|3.963202|7.000840|9.282304|9.441481|0.056914|0.056502|0.053354|0.068657|0.066930|0.088108|0.069217|0.079636|0.175095|0.214084|0.303828|0.500000| |2.126424|2.535896|2.832037|0.076702|2.529127|3.647152|0.107852|3.748218|5.715704|6.076681|5.469355|5.654234|0.117264|0.098582|4.861520|5.695073|12.352197|17.722874|8.907391|7.266625|32.418682|10.292558|7.758652|6.774056|5.147628|4.573159|4.812315|6.028108|8.078074|4.115179|3.186757|2.667416|2.277343|2.212643|2.479332|3.014639|2.292498|4.456851|5.277559|5.311340|0.055528|0.058117|0.055543|0.069637|0.074089|0.072897|0.062046|0.068637|0.124275|0.108124|0.127219|0.147306|0.500000| |2.192329|2.645707|2.989978|0.078132|2.760584|3.922803|0.109707|4.477480|6.794450|8.087424|6.618718|6.017042|0.114718|0.106881|5.838592|7.234825|12.485185|17.596907|8.734731|5.789059|28.645642|7.016371|5.313097|4.511542|3.938246|3.914378|4.382546|5.185381|7.326710|6.092607|4.301222|3.378252|2.787833|2.700753|3.103599|4.001487|2.787799|5.274342|6.479991|6.325406|0.058159|0.058832|0.056911|0.074616|0.075147|0.080288|0.066477|0.076953|0.132138|0.132807|0.146447|0.220759|0.305413|0.500000| |2.902859|3.744942|4.273521|0.110876|3.517721|6.470463|0.209376|6.553209|9.065543|9.929794|8.783733|9.162337|0.178000|0.139909|5.481368|4.915525|7.662849|8.817198|17.567998|4.567483|25.934819|5.672599|3.901426|3.732355|3.210430|2.945797|3.016182|3.426685|5.738051|5.427418|3.866806|3.307980|2.693661|2.493592|2.704658|3.334086|2.374369|4.639561|5.242911|5.440311|0.074001|0.077790|0.074569|0.102752|0.111879|0.098222|0.082676|0.095110|0.135691|0.124038|0.108289|0.128656|0.214754|0.211043|0.500000| |2.721536|3.351957|4.025196|0.112929|3.375477|5.607106|0.169585|4.912042|6.840086|7.675277|8.829496|10.144687|0.241313|0.156070|6.574324|5.742315|9.673206|8.978018|17.527417|6.397435|36.528180|7.381022|4.438242|4.050098|3.260130|2.935549|3.060908|3.677276|5.586798|4.285445|3.374373|2.879984|2.443879|2.339435|2.577227|3.109761|2.340009|4.571314|5.143453|5.557321|0.069722|0.075774|0.068956|0.087785|0.098784|0.098416|0.080981|0.087153|0.185913|0.135617|0.129080|0.132602|0.219791|0.174112|0.301545|0.500000| |1.736153|1.958481|2.194485|0.062460|2.024874|2.568479|0.073664|2.468876|3.861395|3.804077|3.428773|4.121976|0.091111|0.077805|3.666791|4.330146|8.161267|4.994025|4.157428|9.737649|51.833522|25.968715|9.221396|6.857168|4.678196|4.082553|4.422477|6.123922|7.184039|2.596089|2.273668|1.972946|1.783622|1.796609|2.011180|2.297638|1.973234|3.921993|4.545381|4.759109|0.045813|0.048919|0.045355|0.052407|0.056517|0.059562|0.051614|0.053610|0.108329|0.085486|0.119370|0.103393|0.155210|0.113195|0.099481|0.129955|0.500000| |1.721556|1.958371|2.104519|0.058930|1.893509|2.484951|0.074410|2.428315|3.899268|3.610026|3.062865|3.705189|0.080484|0.067899|2.936867|3.292293|5.981387|4.759448|3.982440|4.982296|26.713550|9.878812|8.924548|17.718287|8.923707|5.679959|4.949997|5.644908|9.617174|2.495335|2.123083|1.877591|1.676490|1.648735|1.805162|2.066164|1.729893|3.476890|4.001669|4.029895|0.044866|0.047962|0.045845|0.053039|0.057924|0.053958|0.048263|0.050917|0.081851|0.070186|0.084696|0.085265|0.176047|0.113982|0.106200|0.118909|0.191755|0.500000| |1.496280|1.683705|1.763237|0.048534|1.615015|2.040560|0.060475|2.068489|3.440684|3.037417|2.417092|2.923715|0.061396|0.054528|2.316444|2.604540|4.372313|3.517726|2.953629|3.316129|18.852247|5.672688|5.626183|8.859092|17.749441|8.958892|5.642038|4.944568|16.719657|2.203319|1.903632|1.707275|1.537476|1.511425|1.641073|1.854589|1.578820|3.206465|3.711312|3.601997|0.039323|0.041194|0.040394|0.046504|0.049477|0.045563|0.041451|0.044269|0.062718|0.057563|0.067631|0.071396|0.120086|0.094284|0.082362|0.082258|0.109137|0.213183|0.500000| |1.410064|1.584471|1.704487|0.046193|1.632552|1.970819|0.055506|2.092548|3.475433|3.248310|2.535538|2.908569|0.058893|0.055968|2.631452|3.270205|5.210828|3.707650|2.857491|3.681950|20.647119|5.634799|5.631655|4.952637|5.644421|8.959488|17.747518|8.870364|16.738460|2.534190|2.258506|1.956693|1.784299|1.816287|2.048126|2.324933|2.036065|4.057576|5.036349|4.614129|0.037928|0.038491|0.037552|0.044382|0.044986|0.047177|0.041625|0.045401|0.068707|0.067015|0.087883|0.096041|0.110468|0.108836|0.075127|0.075182|0.101856|0.107520|0.124608|0.500000| |1.588570|1.800053|1.998729|0.054675|1.914871|2.350715|0.065370|2.454515|3.930805|3.956302|3.294147|3.656225|0.074731|0.070431|3.654607|5.067730|8.859603|5.209105|3.727840|6.539140|32.677863|9.645815|8.906775|5.643586|4.944289|5.678720|8.939749|17.745905|9.623368|2.992034|2.640979|2.216683|2.005497|2.063884|2.389447|2.777090|2.389759|4.643024|5.831404|5.624211|0.042693|0.043702|0.041679|0.049759|0.050858|0.056489|0.048379|0.052461|0.096271|0.089402|0.140391|0.140566|0.147795|0.141431|0.091259|0.099442|0.158848|0.124170|0.107427|0.213717|0.500000| |2.693050|3.364324|3.705305|0.088066|3.640172|4.758314|0.120879|7.474809|13.523180|12.575847|5.716960|6.043549|0.102809|0.113554|4.573412|4.231221|5.235715|4.599859|4.931068|3.037814|18.645292|3.709245|2.710800|2.519537|2.372150|2.388799|2.544739|2.720626|4.925985|17.638759|8.882590|7.020722|4.698872|3.978485|4.245135|5.747716|3.303310|6.298683|7.246177|6.918934|0.073507|0.068494|0.069587|0.103635|0.090033|0.101615|0.084306|0.112579|0.102435|0.128480|0.097035|0.134636|0.107773|0.153715|0.145592|0.107692|0.066810|0.067338|0.061174|0.068274|0.076726|0.500000| |2.387007|2.903152|3.346954|0.083338|3.311522|4.326636|0.109894|5.812969|8.967490|12.437763|7.041790|6.367536|0.109991|0.120837|6.360388|6.521249|7.407171|6.244645|5.906444|3.917895|23.136721|4.568308|3.304259|2.915141|2.684163|2.745372|3.054462|3.394407|5.505073|17.678602|8.887639|5.621413|4.202164|3.978155|4.753392|7.243892|3.838890|6.938149|8.689182|8.281436|0.065081|0.062588|0.061170|0.084828|0.078504|0.097782|0.077606|0.096963|0.130213|0.173499|0.138150|0.238872|0.133082|0.227238|0.152716|0.124442|0.080011|0.076131|0.067220|0.081775|0.098901|0.304309|0.500000| |3.007272|3.607695|3.911726|0.089968|4.423351|4.276303|0.101925|6.133958|13.300258|7.956822|4.091120|5.181769|0.088140|0.107053|3.603429|3.143706|3.759712|3.004430|3.326188|2.337648|15.438529|2.854555|2.040326|1.911419|1.808356|1.817270|1.923965|2.044751|3.817483|6.988367|8.893836|17.741300|8.947645|5.644363|4.962545|5.661279|3.565567|7.149372|7.216741|7.225363|0.087020|0.074281|0.076753|0.116323|0.089431|0.120277|0.103121|0.155681|0.085883|0.111157|0.077718|0.094910|0.073289|0.091138|0.094998|0.079927|0.053201|0.051896|0.047376|0.052357|0.058411|0.207004|0.142128|0.500000| |2.486381|2.737403|2.951490|0.071801|3.538574|2.978309|0.072525|3.610091|6.989998|4.912521|2.938375|3.854297|0.068519|0.083423|2.856907|2.568280|3.037076|2.298331|2.451228|1.954042|13.378753|2.394693|1.706859|1.592745|1.517672|1.540746|1.641273|1.733987|3.270904|4.088327|5.632697|8.943767|17.733233|8.918356|5.664815|4.968044|4.095089|9.009494|7.786861|7.878143|0.074592|0.062916|0.063924|0.084106|0.067821|0.100147|0.089685|0.118417|0.070933|0.090796|0.066956|0.076786|0.057134|0.068235|0.067798|0.061517|0.045393|0.043148|0.039859|0.045337|0.050198|0.111217|0.096689|0.216055|0.500000| 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