Version2.4 2021-05-21T09:48:08Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 05-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC[C@H](C)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3c(c(nn3CC)C)Br C39673789 RHF 6-31G(d) (6D,7F) CCC[C@H](C)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3c(c(nn3CC)C)Br C01[X(C21H35Br1N5O2)] 186 C1 520 CCC[C@@H](NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1n(CC)nc(c1Br)C)C CCC[C@@H](NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1n(CC)nc(c1Br)C)C CCC[C@H](C)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3n(CC)nc(C)c3Br InChIKey=IJHZFJMFSYWHRA-GOEBONIOSA-O InChI=1S/C21H34BrN5O2/c1-5-7-14(3)24-19(28)16-12-26(13-21(16)8-10-23-11-9-21)20(29)18-17(22)15(4)25-27(18)6-2/h14,16,23H,5-13H2,1-4H3,(H,24,28)/p+1/t14-,16+/m0/s1 InChI=1/C21H34BrN5O2/c1-5-7-14(3)24-19(28)16-12-26(13-21(16)8-10-23-11-9-21)20(29)18-17(22)15(4)25-27(18)6-2/h14,16,23H,5-13H2,1-4H3,(H,24,28)/p+1/t14-,16+/m0/s1/fC21H35BrN5O2/h23-24H/q+1 CCC[C@H](C)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3c(c(nn3CC)C)Br C01[X(C21H35Br1N5O2)] 186 C01 520 CCC[C@@H](NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1n(CC)nc(c1Br)C)C CCC[C@@H]([NH][C](=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[C]([C]([N][N]1CC)C)Br)C CCC[C@H](C)NC(=O)[C@H]1CN(CC12CC[NH2]CC2)C(=O)[C]3[C](Br)[C](C)[N]N3CC InChIKey=CIBIODDDFQGRTR-GOEBONIOSA-N InChI=1S/C21H35BrN5O2/c1-5-7-14(3)24-19(28)16-12-26(13-21(16)8-10-23-11-9-21)20(29)18-17(22)15(4)25-27(18)6-2/h14,16H,5-13,23H2,1-4H3,(H,24,28)/t14-,16+/m0/s1 InChI=1/C21H35BrN5O2/c1-5-7-14(3)24-19(28)16-12-26(13-21(16)8-10-23-11-9-21)20(29)18-17(22)15(4)25-27(18)6-2/h14,16H,5-13,23H2,1-4H3,(H,24,28)/t14-,16+/m0/s1/f/h24H 3590.6504714666 -3807.2885005 1-A 16739.3089 123 397 520 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.14813 -64.55886 -58.69794 -58.69596 -58.69580 -20.63934 -20.62448 -15.86396 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-0.52737 -0.51497 -0.48789 -0.48131 -0.47767 -0.43215 -0.40711 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.01051 0.02980 0.06068 0.08867 0.09386 0.10840 0.11003 0.11504 0.11829 0.12963 0.13475 0.13999 0.14510 0.15160 0.16014 0.16452 0.17107 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1.4047 1.4568 1.3067 1.3047 1.3046 3.0759 1.4100 2.7191 1.0525 1.1646 1.5677 1.1137 1.0987 1.1544 1.0873 1.0610 1.1014 1.0429 1.0464 1.0990 1.8104 1.0926 1.1708 1.1197 1.0887 1.1615 1.9934 7.9527 1.0765 11.4047 8.3619 1.0714 1.0600 1.0748 1.0393 1.0744 1.0408 1.0969 1.0384 1.0379 1.0868 1.0969 1.1030 1.0981 1.0704 1.1033 1.0699 1.1027 1.0611 1.0644 1.0600 1.1033 1.0921 1.0901 1.0909 1.1040 1.1027 1.0925 1.1078 1.1118 1.1109 1.1098 1.0982 1.0559 1.0961 1.0786 0.0002 0.0006 0.0015 0.0038 0.0050 0.0075 0.0081 0.0122 0.0056 0.0113 0.0298 0.0307 0.0089 0.0270 0.0459 0.0423 0.0415 0.0554 0.0583 0.0838 0.1090 0.0414 0.1176 0.0718 0.0470 0.0694 0.1676 0.1424 0.1360 0.1994 0.2515 0.3014 0.2585 0.2128 0.3793 0.2364 0.3017 0.6250 0.3116 0.3098 0.4771 0.4402 0.3897 0.3035 0.3469 0.4288 0.8046 1.4595 0.8591 0.7791 2.1792 1.7622 1.4672 0.4381 2.0580 1.2711 1.6048 0.9134 0.9151 0.8066 1.5221 2.6111 1.0093 0.7525 0.8751 1.1339 1.2570 1.2295 1.4830 1.9707 1.2810 1.4345 1.6645 1.2550 1.3409 1.3596 1.2106 1.1444 1.6623 1.7726 1.6380 2.7819 1.7955 2.0357 1.2203 2.0852 1.6888 1.7271 1.2862 1.8333 1.9888 2.0595 1.6682 1.9339 2.4703 2.0637 1.7086 1.6717 1.8188 1.6295 1.5802 2.0380 2.0520 1.5421 1.4533 1.4516 1.5044 1.6978 3.9705 1.7546 1.8826 1.7649 1.8757 2.0863 2.5808 2.2604 1.9657 1.8023 2.1949 2.0991 2.0234 2.1029 1.8906 1.8905 1.8970 4.5337 2.0825 4.1470 1.6388 1.8232 2.4556 1.7459 1.7269 1.8169 1.7135 1.6783 1.7480 1.6592 1.6670 1.7524 2.8967 1.7566 1.8914 1.8093 1.7822 1.9166 3.4575 14.2154 2.1182 24.1455 18.1386 6.3699 6.3634 6.4792 6.2857 6.5093 6.3074 6.6878 6.3439 6.3432 6.7227 6.7955 6.9345 6.9112 6.7400 6.9608 6.7711 6.9811 6.7322 6.7735 6.7547 7.0393 6.9730 6.9837 7.0190 7.1216 7.1535 7.1367 7.2714 7.3059 7.3079 7.3379 7.3424 8.3711 8.9921 9.4970 1.5659 0.9761 1.3880 4.4298 8.4221 3.0372 0.3979 6.8942 0.1238 3.1972 0.5649 1.4294 0.1761 2.3825 0.9063 3.2941 3.5894 1.5298 0.2094 0.7636 14.1750 1.9801 6.0107 1.1927 0.1893 0.3100 2.1659 16.9314 3.7114 0.7180 12.5806 3.2131 0.6209 13.2907 3.1762 0.4844 5.9683 2.6265 5.1339 12.4008 1.2141 2.8898 4.4636 11.5954 93.1884 2.9984 8.3692 9.0818 5.8063 19.9848 6.4911 16.2175 12.2972 1.9706 11.4488 3.7579 3.9972 2.9433 3.8498 3.9902 2.7966 21.6464 0.6999 8.2742 11.4778 5.1343 4.4637 3.6174 13.0904 9.9621 3.8608 15.0593 4.1184 7.0546 38.0379 10.5709 4.3928 2.9921 0.9303 44.6602 4.6110 48.7979 15.7079 9.9173 0.3953 17.4643 16.5687 7.6557 1.9030 16.8333 17.5105 38.1571 14.2043 2.4403 2.6179 38.9159 112.3892 26.3389 38.5745 31.9182 33.9180 21.1855 88.3890 1.0874 29.0529 6.2680 8.3557 68.2274 116.3002 0.3168 7.7574 5.0499 16.2519 18.5459 13.0603 4.2027 0.9224 4.1638 1.3915 52.7766 4.4398 2.5459 5.1242 9.9469 2.0258 334.1984 26.7345 21.0035 12.8121 2.4578 57.4869 9.9033 12.8749 49.0722 21.9036 6.6129 11.2069 11.9482 2.4752 7.0636 154.8372 12.3669 30.9208 11.1437 10.5624 44.4271 462.2305 27.5608 98.4740 355.2356 248.0126 18.5300 59.8215 2.9618 28.3644 31.6681 20.9613 17.7242 32.4857 14.2754 28.2933 23.3777 60.5224 14.0485 9.7179 56.4188 7.0179 15.7174 7.4819 4.3717 12.9444 40.3022 47.4740 27.8869 8.0138 7.1484 9.4107 3.5359 31.6214 5.9222 7.5886 3.7543 7.0533 74.3989 75.4832 30.4977 0.5663 1.0127 0.3939 0.7058 0.4893 0.5056 0.1805 0.2554 0.0439 0.3511 0.1285 0.4895 0.5470 0.4193 0.7860 0.4389 0.5091 0.5912 0.2825 0.3420 0.9216 0.2028 0.2582 0.6106 0.0569 0.1997 1.6848 1.1857 0.3470 1.9645 1.2803 2.2943 0.8015 0.4951 1.6829 0.4047 1.1009 6.5188 1.8924 1.1656 1.1956 1.6382 0.3579 1.2320 1.7682 1.9779 0.4518 7.7425 2.6575 2.9754 6.1031 1.0624 0.8310 0.5073 2.4688 5.8537 8.2582 2.5518 1.3916 2.0710 0.3480 2.8817 5.3530 1.2126 1.9548 6.0086 10.5815 3.6427 3.0084 3.9630 0.8219 8.4528 7.7176 5.1319 1.1788 2.8302 3.9219 4.4823 16.1843 6.5791 3.3403 7.1323 0.9725 3.7663 1.2274 4.9495 3.2286 3.2060 6.1772 6.5900 8.0929 1.6863 5.1081 5.9771 5.4257 2.3883 2.4513 3.3725 5.4954 3.6540 5.5591 5.1683 6.4811 1.2341 6.1479 9.9176 13.7750 13.4682 32.2681 4.9283 1.9063 4.2428 3.7398 15.1790 32.1354 13.0476 1.6520 3.0486 1.1606 4.7818 10.9719 1.5632 2.2617 3.3693 1.1402 2.8359 0.2713 3.5961 18.9943 18.3203 27.1873 6.1613 25.7349 28.3927 29.3313 7.0458 10.0330 2.4317 27.2391 4.3778 46.9321 1.8226 12.7551 3.9190 9.7049 15.8754 1.0084 4.8254 5.7381 43.2954 7.6757 45.2307 50.5153 12.3222 102.4960 113.7484 110.7442 131.1825 90.9245 161.0773 43.5825 12.5406 57.5593 76.0176 35.6132 69.3745 109.8189 59.8123 94.5869 86.3584 59.7089 71.8970 91.2181 31.6524 76.6773 70.2671 80.1051 52.0685 23.5981 53.8319 26.3182 28.1794 45.6212 73.6307 54.6412 25.7668 0.7465 0.7495 0.7367 0.7170 0.6362 0.6556 0.4352 0.6634 0.6945 0.7082 0.6618 0.6996 0.7378 0.7404 0.6211 0.3737 0.5997 0.2789 0.7090 0.5434 0.1146 0.7209 0.6586 0.1064 0.1933 0.3082 0.5522 0.1541 0.5348 0.1463 0.7429 0.5603 0.3410 0.2634 0.7382 0.1639 0.1314 0.0696 0.4240 0.7427 0.5216 0.4382 0.5053 0.5798 0.3276 0.1125 0.1061 0.1552 0.6524 0.2511 0.2080 0.6196 0.2935 0.1134 0.2225 0.0736 0.1094 0.5868 0.5080 0.3563 0.4642 0.7017 0.1043 0.7113 0.6178 0.2987 0.4662 0.0919 0.5713 0.7270 0.5300 0.6800 0.3329 0.4952 0.7497 0.5365 0.6233 0.1716 0.6133 0.4911 0.7094 0.7493 0.4834 0.1811 0.7453 0.2864 0.4865 0.5660 0.6781 0.4121 0.7078 0.5233 0.5020 0.3842 0.7071 0.3275 0.1642 0.5319 0.4952 0.7285 0.6636 0.5498 0.7479 0.7010 0.7495 0.7398 0.7329 0.6718 0.7480 0.7470 0.6187 0.6690 0.5947 0.3732 0.5199 0.5074 0.6324 0.5572 0.7331 0.5763 0.7496 0.6959 0.7304 0.5890 0.6848 0.5933 0.7256 0.7077 0.7271 0.7396 0.4753 0.7364 0.7406 0.6404 0.7351 0.7384 0.6066 0.7327 0.7488 0.6209 0.2799 0.6945 0.3155 0.2453 0.7207 0.3335 0.5450 0.5489 0.7078 0.1137 0.2723 0.2687 0.3045 0.3418 0.0120 0.1667 0.0327 0.5010 0.1332 0.0131 0.2444 0.1499 0.6386 0.6751 0.1592 0.7393 0.2426 0.7498 0.1514 0.1918 0.0518 0.7310 0.4914 0.0551 0.2503 0.6763 0.6636 0.2845 0.7395 0.6930 0.7487 0.6756 0.4951 0.1209 0.6522 0.1585 0.8549 0.8568 0.8484 0.8352 0.7776 0.7920 0.6065 0.7976 0.8197 0.8292 0.7965 0.8233 0.8491 0.8508 0.7662 0.5441 0.7498 0.4362 0.8297 0.7041 0.2056 0.8378 0.7942 0.1923 0.3239 0.4711 0.7115 0.2670 0.6969 0.2553 0.8525 0.7182 0.5086 0.4170 0.8494 0.2816 0.2322 0.1301 0.5955 0.8524 0.6856 0.6094 0.6714 0.7340 0.4936 0.2022 0.1918 0.2687 0.7896 0.4014 0.3444 0.7652 0.4538 0.2036 0.3641 0.1371 0.1972 0.7396 0.6738 0.5254 0.6341 0.8247 0.1889 0.8313 0.7638 0.4599 0.6360 0.1683 0.7272 0.8419 0.6928 0.8095 0.4995 0.6624 0.8570 0.6983 0.7679 0.2930 0.7603 0.6587 0.8300 0.8567 0.6517 0.3066 0.8540 0.4453 0.6545 0.7228 0.8082 0.5837 0.8289 0.6871 0.6684 0.5551 0.8284 0.4934 0.2822 0.6944 0.6624 0.8429 0.7978 0.7095 0.8558 0.8242 0.8568 0.8504 0.8458 0.8037 0.8559 0.8552 0.7644 0.8017 0.7458 0.5436 0.6841 0.6732 0.7748 0.7157 0.8460 0.7312 0.8569 0.8207 0.8442 0.7413 0.8129 0.7447 0.8410 0.8288 0.8420 0.8503 0.6444 0.8482 0.8510 0.7808 0.8473 0.8495 0.7552 0.8457 0.8563 0.7661 0.4374 0.8197 0.4797 0.3940 0.8377 0.5002 0.7055 0.7088 0.8289 0.2041 0.4281 0.4235 0.4669 0.5095 0.0238 0.2858 0.0634 0.6675 0.2351 0.0259 0.3928 0.2608 0.7795 0.8060 0.2746 0.8501 0.3905 0.8570 0.2629 0.3219 0.0986 0.8446 0.6590 0.1045 0.4004 0.8069 0.7978 0.4430 0.8503 0.8187 0.8563 0.8064 0.6623 0.2157 0.7895 0.2736 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 6 6 1 6 7 6 8 6 1 6 7 6 6 6 6 7 1 1 6 6 6 8 6 6 6 7 7 6 6 6 35 1 1 1 1 1 1 1 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 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 14.00307 14.00307 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 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 10261.6866 21474.5571 27627.1077 0.99942 0.03379 0.00367 -0.03368 0.99904 -0.02790 -0.00460 0.02776 0.99960 1 0.00844 0.00403 0.00314 0.17587 0.08404 0.06533 12.22 21.31 34.11 51.78 64.28 72.23 89.97 96.56 107.20 116.48 129.08 162.92 168.85 175.99 188.03 218.31 220.06 247.44 268.62 285.15 300.20 335.75 347.50 367.77 380.09 397.17 402.19 424.93 444.11 451.13 473.67 494.87 516.61 522.23 548.31 566.70 614.79 650.48 665.14 676.76 697.11 720.57 731.99 776.47 791.35 831.61 848.23 956.79 966.33 985.05 1053.51 1099.67 1117.07 1151.28 1179.91 1194.76 1223.96 1235.22 1251.74 1256.96 1267.95 1294.76 1324.51 1344.22 1352.52 1375.57 1395.13 1416.98 1463.99 1467.10 1502.33 1510.90 1525.55 1555.22 1569.05 1579.33 1595.03 1615.59 1616.26 1627.62 1640.76 1644.21 1663.04 1671.60 1689.72 1732.10 1743.58 1761.76 1774.12 1779.22 1829.46 1837.23 1854.01 1865.90 1903.19 1909.59 1920.33 1952.40 1975.55 1994.68 2002.32 2010.18 2043.62 2054.44 2081.71 2086.26 2087.64 2102.12 2118.30 2150.54 2158.63 2168.96 2180.58 2193.98 2194.80 2211.12 2218.88 2236.17 2244.89 2248.27 2249.72 2252.06 2254.63 2256.31 2260.31 2275.68 2278.01 2314.85 2338.96 2345.28 2345.91 2346.84 2349.99 2351.63 2353.02 2357.44 2361.43 2364.25 2365.83 2366.90 2370.97 2376.74 2382.46 2382.79 2398.25 2407.82 2468.64 2506.06 2629.34 2727.37 2760.69 4570.42 4592.67 4602.11 4609.73 4613.69 4614.44 4628.31 4632.97 4633.84 4661.97 4665.55 4699.96 4702.48 4703.48 4708.14 4715.37 4716.21 4721.28 4728.50 4731.77 4734.66 4736.46 4744.30 4754.66 4760.75 4774.25 4790.86 4802.29 4805.04 4807.63 4819.82 4846.79 5277.65 5368.85 5562.08 0.603840 0.633151 0.634095 0.539391 -3806.684660 -3806.655350 -3806.654406 -3806.749110 3.176388D-04 MUNgauss RevisionA2.1 retrievium 21-May-2021 DUDE CCC[C@H](C)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3c(c(nn3CC)C)Br C39673789 RHF 6-31G(d) (6D,10F) C1 468.197412 |X|Y|Z| 67.837450 104.201134 35.772448 63.235876 16 6 7 12 4 |36.858105| |12.462838|36.858105| |7.489503|12.449295|36.858105| |4.847149|7.389917|12.446710|36.858105| |4.556409|6.909983|8.880004|17.626378|0.500000| |3.753088|4.856605|7.503614|12.465686|0.247515|36.858105| |4.284059|6.259252|7.774032|12.986874|0.258521|7.729538|53.358707| |3.446913|4.703430|5.183238|7.710864|0.205887|5.855865|19.352270|36.858105| |3.137871|4.192475|4.549823|6.744294|0.213375|5.504214|11.544669|15.789150|73.516695| |2.967246|3.766005|3.942689|4.977584|0.130094|4.220854|10.660279|12.476231|14.248304|36.858105| |3.156665|3.947488|4.076495|4.806856|0.120085|4.028159|10.383383|8.865235|10.474151|17.570542|0.500000| |2.473664|3.007815|3.275391|4.108693|0.107018|3.931597|7.637132|7.578403|11.101058|12.166256|0.241675|36.858105| |2.165103|2.575490|2.705818|3.274229|0.089149|3.122182|5.648010|5.491260|9.224156|7.937018|0.168891|13.049849|53.358707| |2.255851|2.715301|2.759460|3.335706|0.094468|3.039614|5.712821|5.844541|10.560426|7.948111|0.161350|8.095317|17.935233|36.858105| |2.651895|3.263361|3.212601|3.829792|0.106906|3.270594|7.049033|7.363737|11.523431|12.190098|0.242403|7.686744|11.065904|12.372319|36.858105| |2.855263|3.557930|3.307950|3.854019|0.113696|3.149381|6.647391|6.518841|11.433006|7.262390|0.168063|4.977759|6.946636|7.426433|12.383264|36.858105| |2.426235|2.872923|2.649343|2.963610|0.087392|2.525771|4.781401|4.306278|7.830877|4.804164|0.119221|3.840435|5.797291|6.077954|7.495249|12.497983|36.858105| |2.279694|2.619991|2.411728|2.618283|0.074776|2.264206|4.247537|3.650960|6.269693|4.335622|0.115504|3.567026|5.407768|5.149152|6.449114|7.646923|12.630337|53.358707| |2.066811|2.332338|2.152431|2.315049|0.066357|2.033371|3.657500|3.086910|5.404365|3.554747|0.094933|3.065727|4.697020|4.334179|4.919918|5.659578|9.163229|25.685431|0.500000| |2.451103|2.794440|2.511205|2.663566|0.075558|2.269359|4.315692|3.585279|6.011854|4.178120|0.116373|3.343812|4.822413|4.358787|5.733882|6.982411|9.206994|25.681283|0.328506|0.500000| |2.168229|2.487816|2.363154|2.593931|0.072283|2.292341|4.313740|3.743199|6.220985|4.876720|0.131681|4.199313|6.687715|6.074342|7.428746|6.462186|7.559352|17.193858|0.254553|0.255601|36.858105| |2.461478|2.899855|2.800527|3.137905|0.085455|2.733587|5.553031|4.964949|7.670125|7.567346|0.210302|5.862031|8.694637|7.487171|12.325122|7.642728|6.529395|10.480950|0.157848|0.194787|12.516654|36.858105| |1.911425|2.211550|2.305322|2.686917|0.072805|2.607080|4.455899|3.990214|6.734024|5.354481|0.130449|7.581994|19.097953|7.847541|5.695871|3.997945|3.642319|4.936165|0.090598|0.089736|4.687199|5.532835|36.858105| |1.788874|2.045414|2.089080|2.385629|0.065464|2.285862|3.880788|3.417162|5.875955|4.426929|0.111015|5.362157|11.547245|6.972872|5.194544|3.864713|3.782448|5.327908|0.100297|0.094322|5.256599|5.485385|15.788694|73.516695| |1.801610|2.055241|2.183817|2.518024|0.067010|2.529365|4.082669|3.465904|5.782448|4.376228|0.112870|6.362807|10.676351|5.049089|4.177313|3.148479|2.861588|3.907304|0.072990|0.073475|3.548635|4.142949|12.797662|14.427758|36.858105| |1.759034|2.002571|2.174179|2.527354|0.066932|2.635717|3.990773|3.317017|5.621805|3.905323|0.100346|5.706257|8.285098|4.208705|3.542980|2.792324|2.511401|3.346825|0.062942|0.063748|2.898009|3.355608|7.306389|9.489173|13.889576|36.858105| |1.621893|1.812712|1.962305|2.220676|0.058456|2.327755|3.438362|2.750751|4.629778|3.173038|0.085035|4.222421|5.887902|3.273171|2.903821|2.365240|2.165044|2.942396|0.055987|0.056761|2.530056|2.864657|5.169269|7.569569|8.604115|13.540115|36.858105| |1.586762|1.760516|1.875478|2.088647|0.055023|2.139976|3.262544|2.601421|4.330710|3.078896|0.084418|3.936325|5.644743|3.198668|2.895718|2.349895|2.184048|3.045358|0.058170|0.058812|2.674511|2.993002|5.261167|8.126843|8.625366|8.612609|14.595004|53.358707| |1.680065|1.881926|1.982186|2.223147|0.058871|2.227605|3.552606|2.905767|4.807012|3.599799|0.097873|4.684854|7.210991|3.918793|3.483478|2.728048|2.540953|3.585344|0.067941|0.068356|3.268908|3.691923|7.657638|11.583715|14.138161|8.779410|8.982378|19.604157|53.358707| |1.619228|1.793922|1.852261|2.036222|0.054176|2.000003|3.245708|2.628450|4.338009|3.267299|0.091209|3.893126|6.033619|3.581767|3.313633|2.645713|2.539221|3.728122|0.071496|0.071260|3.485765|3.766015|6.144307|11.157041|7.469247|5.276983|5.459341|10.878377|17.758534|36.858105| |1.452518|1.597193|1.638093|1.792050|0.048300|1.764555|2.795876|2.263750|3.832153|2.715377|0.074474|3.146030|4.993414|3.141482|2.839420|2.359529|2.338670|3.428561|0.067536|0.064963|3.120275|3.162964|4.935678|9.913134|5.533435|4.325553|4.529094|8.278805|10.473582|12.511101|36.858105| |1.517897|1.678235|1.832013|2.052258|0.053967|2.198719|3.086635|2.408493|4.096488|2.659439|0.071800|3.370834|4.538896|2.672344|2.419661|2.039712|1.873974|2.529517|0.048494|0.049249|2.117654|2.364598|3.720695|5.708645|5.177801|7.290354|12.735217|10.554156|7.288854|3.947771|3.518840|36.858105| |1.807971|2.082635|2.309604|2.771114|0.074346|3.007232|4.236689|3.558709|6.341947|3.835446|0.094418|5.497087|7.496361|4.126073|3.401124|2.788214|2.466893|3.150356|0.059290|0.060060|2.605157|2.995797|5.362612|7.400098|6.491046|10.191330|6.536060|6.462906|6.470377|3.521677|3.114031|5.557209|2539.412838| |17.551414|8.775463|6.790215|4.503548|0.120197|3.676763|5.145069|3.098971|5.157105|2.649369|0.076824|2.268524|2.721805|2.075054|2.379888|2.552424|2.200112|2.796872|0.052272|0.060652|1.957549|2.196333|1.774321|2.953892|1.684371|1.660986|1.536982|2.035356|2.138532|1.508076|1.362164|1.451958|58.753714|0.500000| |17.539901|8.768194|6.782793|4.477757|0.111643|3.619096|5.612665|3.285715|5.202168|2.915694|0.088267|2.460077|2.907436|2.186885|2.569503|2.686636|2.292647|2.991257|0.055361|0.065718|2.128593|2.434637|1.903119|3.157453|1.813739|1.772105|1.648004|2.202739|2.321940|1.647545|1.469352|1.545847|61.272815|0.301844|0.500000| |17.556769|8.777186|5.462147|4.019859|0.109081|3.172093|5.083871|3.154974|5.171567|2.789317|0.082312|2.317559|2.815836|2.183271|2.577792|2.836460|2.461600|3.172259|0.059010|0.070504|2.179111|2.429669|1.839751|3.096701|1.721301|1.666088|1.539226|2.064571|2.195705|1.570777|1.417457|1.436170|57.789430|0.301999|0.301750|0.500000| |8.856720|17.516073|8.869180|6.828431|0.209245|4.572785|7.653505|4.599384|7.773861|3.604266|0.100846|2.891533|3.447787|2.734353|3.244019|3.694656|3.004275|3.626012|0.066223|0.078409|2.471862|2.823023|2.166212|3.588356|1.991497|1.940122|1.746085|2.302215|2.467392|1.728213|1.554148|1.616625|69.489486|0.210869|0.172864|0.212595|0.500000| |8.863586|17.517266|8.827875|6.728178|0.171934|4.456301|9.490731|5.281456|7.930711|4.373467|0.131887|3.319440|3.847858|3.006065|3.780262|4.144420|3.256643|4.085106|0.072912|0.090456|2.846352|3.390621|2.412420|3.970568|2.213800|2.121984|1.912306|2.550719|2.759320|1.946222|1.718195|1.747582|73.704990|0.173028|0.210467|0.213078|0.303904|0.500000| |6.860241|8.822727|17.474246|8.847698|0.174031|6.792661|9.646585|4.735227|7.121059|3.854468|0.115375|3.270806|3.627096|2.647927|3.082014|3.061076|2.480791|3.152597|0.057489|0.067196|2.315008|2.768161|2.301383|3.690605|2.216825|2.212180|2.019999|2.636590|2.768254|1.901197|1.666925|1.892165|78.627785|0.168928|0.203454|0.140227|0.173473|0.210540|0.500000| |6.923723|8.877168|17.541644|8.950424|0.210791|7.117529|7.692277|4.207564|6.975305|3.288658|0.092703|2.850623|3.278418|2.451504|2.765825|2.863085|2.362495|2.926429|0.054035|0.061813|2.098819|2.430761|2.080615|3.372413|1.989454|2.003191|1.822762|2.360398|2.469480|1.694301|1.514108|1.724940|73.325018|0.205736|0.170314|0.141140|0.212081|0.173691|0.304826|0.500000| |3.173530|4.029997|5.476033|8.809577|0.214387|17.578310|9.583880|6.255203|11.210530|4.473750|0.112931|4.401792|4.731692|3.342900|3.456171|3.259029|2.611539|3.150147|0.057786|0.063433|2.363548|2.817731|2.853476|4.386811|2.767226|2.932462|2.534306|3.116725|3.247158|2.106432|1.861223|2.385763|119.283416|0.085981|0.084853|0.077018|0.109231|0.106822|0.139705|0.143706|0.500000| |3.626146|4.465137|6.808287|8.779381|0.173616|17.535710|9.412763|5.166337|8.145995|4.062010|0.112235|3.895448|4.140346|2.872807|3.100877|2.904335|2.358229|2.946874|0.054093|0.060533|2.228210|2.675001|2.588411|4.012233|2.572377|2.702554|2.425159|3.032897|3.121352|2.052156|1.793626|2.309249|102.747470|0.097907|0.101445|0.084789|0.111513|0.116566|0.201549|0.176206|0.300406|0.500000| |3.686334|4.556684|6.829576|8.811955|0.213012|17.564772|7.616119|4.543203|8.015579|3.440606|0.091702|3.235978|3.653497|2.647371|2.810531|2.776522|2.288900|2.795708|0.051825|0.057290|2.055112|2.390839|2.289820|3.626250|2.229899|2.330759|2.088710|2.620171|2.705259|1.799217|1.608504|2.002719|90.711671|0.104911|0.097351|0.086337|0.122843|0.111052|0.166604|0.213193|0.301606|0.301308|0.500000| |4.328162|5.954733|7.255604|9.003292|0.181402|6.508961|26.045159|9.453451|10.878859|7.514764|0.242466|5.519165|5.460701|3.905681|4.890758|4.417331|3.282283|4.143216|0.072840|0.087071|3.164619|4.150139|3.258867|5.037724|3.047522|2.958305|2.591923|3.385295|3.677144|2.483550|2.108002|2.322284|102.946419|0.103905|0.121857|0.104379|0.138903|0.193201|0.215080|0.145864|0.160642|0.185850|0.135925|0.500000| |2.390713|2.839350|3.110590|3.741606|0.094768|3.668213|6.777865|5.857918|8.499434|8.623894|0.225957|17.651808|12.335029|5.892362|5.926909|4.105493|3.316883|4.393724|0.078090|0.085619|3.873250|5.338710|7.187342|9.061011|7.136318|6.367831|4.861576|6.251791|7.422359|4.394461|3.374055|3.777233|183.559166|0.060867|0.067294|0.062085|0.074365|0.086986|0.089110|0.075474|0.110841|0.105640|0.084508|0.146692|0.500000| |2.460782|3.008769|3.394336|4.446774|0.116090|4.520787|7.858328|7.694338|12.264910|8.688188|0.181493|17.660097|12.390490|6.591243|5.918761|4.381526|3.429575|4.218214|0.075470|0.081126|3.479704|4.500007|6.024769|7.944427|5.547300|5.663402|4.151340|4.999185|5.618965|3.376215|2.824179|3.449165|222.052731|0.063601|0.067550|0.063328|0.081018|0.089589|0.093122|0.083273|0.149861|0.122513|0.101729|0.149819|0.302609|0.500000| |2.043370|2.405412|2.409087|2.823946|0.080377|2.597915|4.652320|4.431795|8.099633|5.635918|0.127505|5.794943|12.493055|17.704860|8.542522|6.326955|6.263457|7.557160|0.134996|0.123844|6.759501|6.890052|7.609070|14.664207|4.792461|3.899577|3.113835|4.237107|5.248972|3.662722|3.338322|2.544828|126.088072|0.052464|0.055087|0.055558|0.067619|0.073528|0.064442|0.060252|0.078432|0.068661|0.064171|0.089856|0.131038|0.137020|0.500000| |2.282125|2.777312|2.852868|3.545671|0.103594|3.254216|5.875478|6.196216|12.856944|6.963786|0.140272|7.040211|12.516726|17.593136|8.841874|7.034105|5.656690|6.038038|0.106792|0.106794|4.729905|5.490592|5.985215|9.461472|4.340527|3.901415|3.044447|3.937026|4.627711|3.061409|2.750716|2.558762|142.644794|0.058899|0.060713|0.061051|0.079167|0.083742|0.074563|0.071099|0.101859|0.083187|0.079083|0.106881|0.141645|0.185814|0.301015|0.500000| |2.893200|3.676853|3.472484|4.202007|0.130607|3.414964|6.944892|7.075049|14.599521|6.558250|0.145642|4.775118|6.544576|6.887046|8.779711|17.644925|8.992765|7.605854|0.126934|0.143202|4.852498|5.526899|3.710374|6.266235|2.985989|2.729479|2.298644|3.050732|3.481857|2.431995|2.193556|2.007744|96.810343|0.072955|0.074327|0.079043|0.109786|0.114761|0.086786|0.084442|0.099763|0.084869|0.084062|0.121120|0.107236|0.124592|0.159700|0.214567|0.500000| |3.295676|4.169183|3.677175|4.114641|0.119908|3.223075|7.148892|6.363415|10.309590|6.701092|0.174092|4.437001|5.789487|5.446107|8.777127|17.500506|8.887668|9.359866|0.143667|0.204074|5.681218|6.867245|3.456935|5.909317|2.843794|2.552715|2.207732|2.999991|3.435203|2.471144|2.191995|1.926214|86.173150|0.079811|0.085559|0.092092|0.119390|0.141904|0.094171|0.086607|0.089614|0.083015|0.079051|0.134587|0.106386|0.109459|0.132052|0.143643|0.304127|0.500000| |2.180029|2.559226|2.421328|2.743110|0.081103|2.406817|4.353317|3.963421|7.480831|4.414961|0.106786|3.799158|6.089189|6.679582|6.725596|8.746841|17.632251|12.427732|0.225181|0.181294|6.892332|5.734815|3.879578|7.363586|2.983717|2.611084|2.230390|3.050564|3.564802|2.602137|2.440665|1.923323|87.876224|0.055697|0.057443|0.060928|0.074384|0.078762|0.063165|0.060788|0.070311|0.062384|0.060874|0.082671|0.090357|0.095480|0.213006|0.176718|0.213395|0.172998|0.500000| |2.454310|2.874175|2.588199|2.834555|0.084908|2.401117|4.409045|3.811421|7.048464|3.984048|0.101515|3.232707|4.720332|4.614931|5.460245|8.768991|17.626484|12.367224|0.222556|0.225433|5.567169|4.908936|3.024585|5.552648|2.466638|2.210559|1.933889|2.646745|3.023394|2.223051|2.071555|1.700957|74.879502|0.062051|0.063609|0.070268|0.085245|0.089545|0.066617|0.064780|0.068204|0.061911|0.061384|0.083718|0.078973|0.082514|0.130615|0.126049|0.212623|0.215389|0.301491|0.500000| |1.981650|2.267792|2.190297|2.433164|0.068274|2.195635|3.978327|3.495480|6.002860|4.462217|0.115515|4.147154|7.160404|6.640620|6.645575|5.652917|6.841444|12.361223|0.224363|0.180789|17.651867|8.759810|5.270952|11.507911|3.815280|3.065659|2.647873|3.810679|4.723491|3.699017|3.415285|2.196880|93.364312|0.050310|0.053925|0.055023|0.063063|0.070660|0.059435|0.054658|0.063777|0.059117|0.054929|0.080063|0.105095|0.096751|0.238913|0.141059|0.126659|0.131250|0.204202|0.141583|0.500000| |2.058206|2.310878|2.186731|2.347646|0.064789|2.092552|3.843217|3.204922|5.282059|4.064600|0.115163|3.603754|5.541843|4.613464|5.431615|4.882314|5.567795|12.367881|0.221768|0.226046|17.625454|8.772419|4.090562|8.226064|3.271688|2.682065|2.407994|3.532651|4.285335|3.502083|3.158477|2.028867|80.605688|0.051625|0.056686|0.057811|0.063206|0.073249|0.060201|0.054237|0.059359|0.057142|0.052484|0.079830|0.096332|0.084141|0.140020|0.104348|0.107426|0.128473|0.142107|0.126523|0.301583|0.500000| |2.711624|3.179770|2.996976|3.253159|0.087265|2.769518|5.806461|4.865112|7.238661|6.977168|0.226735|5.070932|6.750514|5.482050|8.800559|6.904739|5.741488|9.429695|0.144258|0.205454|8.904098|17.507075|4.368670|7.561768|3.555596|2.985649|2.619755|3.727743|4.456075|3.365814|2.827905|2.207449|91.671472|0.066036|0.075157|0.074839|0.084399|0.106453|0.083176|0.071289|0.077357|0.075948|0.067312|0.124873|0.134369|0.112120|0.138791|0.123308|0.140733|0.203888|0.132797|0.129190|0.173276|0.216068|0.500000| |2.280969|2.648296|2.626085|2.941295|0.078722|2.648094|5.158009|4.500180|6.925015|6.954418|0.200155|6.387627|9.752941|6.935644|8.715646|5.518007|4.882363|7.642405|0.127313|0.143747|9.032224|17.611940|6.857958|11.833837|5.076147|3.881527|3.310135|4.832192|6.231818|4.748641|3.763612|2.652622|110.914422|0.057010|0.063518|0.061972|0.070802|0.084541|0.073414|0.063812|0.076341|0.073316|0.064213|0.109647|0.174691|0.130736|0.180178|0.139979|0.122905|0.140129|0.127980|0.107808|0.214475|0.213398|0.304373|0.500000| |1.724192|1.921399|1.962222|2.157992|0.057529|2.080341|3.497641|2.866332|4.683048|3.687685|0.103728|4.268487|6.781707|4.092630|3.867335|3.012839|2.902536|4.372003|0.082918|0.083022|4.299868|4.665871|6.933187|13.332011|7.025547|4.785765|4.560799|8.015542|12.531938|17.658488|8.839755|3.401922|114.952394|0.044278|0.048634|0.046651|0.051417|0.058570|0.055772|0.049437|0.060609|0.058947|0.051720|0.074486|0.132037|0.098976|0.117427|0.093770|0.075220|0.077858|0.082073|0.069480|0.126342|0.121132|0.113147|0.173496|0.500000| |1.598362|1.753427|1.813294|1.967128|0.051903|1.939004|3.116207|2.465024|4.029003|3.017830|0.086502|3.510625|5.115252|3.102257|2.980860|2.425762|2.313540|3.409000|0.065433|0.066420|3.119503|3.400769|4.772370|8.363219|5.814086|4.597050|5.096315|10.365066|12.701483|17.632096|8.821534|3.886988|108.145127|0.041352|0.045542|0.043029|0.046575|0.052773|0.052221|0.046142|0.056154|0.055872|0.048585|0.067117|0.112651|0.085667|0.086506|0.074977|0.062049|0.064155|0.064890|0.056979|0.089164|0.088713|0.087669|0.116950|0.301807|0.500000| |1.375693|1.505448|1.554704|1.697340|0.045682|1.692026|2.615729|2.096450|3.567275|2.460308|0.067443|2.868516|4.431413|2.783983|2.517834|2.123296|2.090652|3.016323|0.059550|0.057605|2.667073|2.730510|4.217793|8.006321|5.014044|4.261510|4.788343|8.912106|9.510842|8.840696|17.590927|3.839389|104.822406|0.036029|0.038716|0.037189|0.040678|0.044638|0.044042|0.040174|0.049638|0.047961|0.043063|0.054743|0.085810|0.073286|0.080932|0.069338|0.055560|0.055104|0.060538|0.052023|0.080149|0.074528|0.068872|0.088323|0.173471|0.211580|0.500000| |1.454078|1.608357|1.645698|1.815294|0.049375|1.782787|2.829478|2.327082|3.996993|2.785675|0.074752|3.237939|5.384361|3.434372|2.989777|2.486584|2.498135|3.630152|0.071971|0.067584|3.306592|3.274422|5.487976|12.012968|5.708776|4.393034|4.316893|7.248902|9.395028|8.833465|17.599669|3.357289|110.659121|0.037927|0.040579|0.039474|0.043801|0.048010|0.046114|0.042293|0.052603|0.049843|0.045182|0.058534|0.093447|0.081028|0.104568|0.083364|0.064459|0.063141|0.073842|0.061088|0.104221|0.091130|0.079485|0.106621|0.212531|0.173201|0.299974|0.500000| |1.409108|1.537602|1.561946|1.689353|0.045597|1.650222|2.625210|2.106715|3.560142|2.511669|0.069774|2.807406|4.376089|2.859962|2.658173|2.251964|2.266609|3.391682|0.067593|0.064706|3.077053|3.032647|4.109688|8.386078|4.338771|3.508212|3.652117|6.378882|7.618547|8.873847|17.550930|2.976993|90.585683|0.036661|0.039652|0.038413|0.041553|0.046038|0.044183|0.040136|0.047930|0.046576|0.041976|0.055156|0.083110|0.069957|0.084988|0.069725|0.057758|0.058673|0.065250|0.056170|0.092640|0.089176|0.076478|0.098909|0.212124|0.212794|0.301086|0.300473|0.500000| |1.444504|1.596636|1.738944|1.953772|0.051940|2.099912|2.902257|2.279982|3.952282|2.477052|0.065951|3.104682|4.282178|2.571869|2.290349|1.956654|1.813031|2.426974|0.046817|0.047034|2.010995|2.211843|3.487533|5.450627|4.629664|6.436189|8.915191|8.214038|6.250052|3.507654|3.285551|17.566899|192.052595|0.038567|0.040621|0.038045|0.043061|0.045937|0.049436|0.045793|0.063757|0.060515|0.053628|0.059854|0.093119|0.089706|0.068688|0.069464|0.053988|0.051029|0.052143|0.045898|0.058479|0.053294|0.057068|0.067972|0.085158|0.093718|0.100242|0.089604|0.077528|0.500000| |1.439729|1.575678|1.707220|1.882789|0.049483|1.999967|2.820338|2.176333|3.685439|2.406079|0.065982|2.951959|3.987506|2.402528|2.213679|1.884846|1.748549|2.387919|0.046025|0.046728|1.998286|2.207270|3.292002|5.212538|4.427324|5.507620|8.987707|10.126802|6.741550|3.891847|3.529700|17.618356|144.409117|0.038260|0.040902|0.037974|0.042065|0.045608|0.049203|0.044742|0.059414|0.058546|0.050950|0.059384|0.092147|0.082303|0.064260|0.063490|0.051210|0.049827|0.049649|0.044297|0.057351|0.053876|0.057775|0.068835|0.091495|0.110800|0.110258|0.090865|0.084078|0.300545|0.500000| 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