Version2.4 2021-05-27T03:00:46Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1C)N2CC[NH+](CC2)CC(=O)NC3=c4cc(ccc4=[NH+][C@@H]3C(=O)OC)Br C39582254 RHF 6-31G(d) (6D,7F) Cc1cccc(c1C)N2CC[NH+](CC2)CC(=O)NC3=c4cc(ccc4=[NH+][C@@H]3C(=O)OC)Br C01[X(C24H29Br1N4O3)] 177 C1 553 COC(=O)[C@H]1[NH+]=c2c(=C1NC(=O)C[NH+]1CCN(CC1)c1cccc(c1C)C)cc(cc2)Br COC(=O)[C@H]1[NH+]=c2c(=C1NC(=O)C[NH+]1CCN(CC1)c1cccc(c1C)C)cc(cc2)Br COC(=O)[C@H]1[NH+]=C2C=CC(=CC2=C1NC(=O)C[NH+]3CCN(CC3)c4cccc(C)c4C)Br InChIKey=QOJZPKGYBVSHIH-QHCPKHFHSA-P InChI=1S/C24H27BrN4O3/c1-15-5-4-6-20(16(15)2)29-11-9-28(10-12-29)14-21(30)27-22-18-13-17(25)7-8-19(18)26-23(22)24(31)32-3/h4-8,13,23H,9-12,14H2,1-3H3,(H,27,30)/p+2/t23-/m0/s1 InChI=1/C24H27BrN4O3/c1-15-5-4-6-20(16(15)2)29-11-9-28(10-12-29)14-21(30)27-22-18-13-17(25)7-8-19(18)26-23(22)24(31)32-3/h4-8,13,23H,9-12,14H2,1-3H3,(H,27,30)/p+2/t23-/m0/s1/fC24H29BrN4O3/h26-28H/q+2 Cc1cccc(c1C)N2CC[NH+](CC2)CC(=O)NC3=c4cc(ccc4=[NH+][C@@H]3C(=O)OC)Br C01[X(C24H29Br1N4O3)] 177 C01 553 COC(=O)[C@H]1[NH+]=c2c(=C1NC(=O)C[NH+]1CCN(CC1)c1cccc(c1C)C)cc(cc2)Br COC(=O)[C@H]1[NH][C]2[C]([C]1NC(=O)C[NH]1CC[N@](CC1)[C]1[CH][CH][CH][C]([C]1C)C)C=[C]([CH]=[CH]2)Br COC(=O)[C@H]1N[C]2C=CC(=C[C]2[C]1NC(=O)C[NH]3CCN(CC3)[C]4[CH][CH][CH][C](C)[C]4C)Br InChIKey=ANSAGUDFUCVQND-QHCPKHFHSA-N InChI=1S/C24H29BrN4O3/c1-15-5-4-6-20(16(15)2)29-11-9-28(10-12-29)14-21(30)27-22-18-13-17(25)7-8-19(18)26-23(22)24(31)32-3/h4-8,13,23,26,28H,9-12,14H2,1-3H3,(H,27,30)/t23-/m0/s1 InChI=1/C24H29BrN4O3/c1-15-5-4-6-20(16(15)2)29-11-9-28(10-12-29)14-21(30)27-22-18-13-17(25)7-8-19(18)26-23(22)24(31)32-3/h4-8,13,23,26,28H,9-12,14H2,1-3H3,(H,27,30)/t23-/m0/s1/f/h27H 3559.7767454858 -3937.513729 1-A 30417.4917 129 424 553 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4.2729 2.0263 3.2365 3.0400 3.9981 6.1011 3.1995 4.4897 5.0234 2.3633 4.3791 5.1812 4.0070 3.2717 1.6075 3.5212 2.9021 2.4080 1.5699 5.6066 3.2420 1.4709 2.9275 2.4612 1.4543 3.3573 2.1991 1.7975 2.7269 4.0775 1.3410 1.9984 2.6837 1.6628 1.4310 2.5872 1.3721 3.8814 2.8571 1.6142 2.9935 2.5989 2.1048 1.9807 2.3453 1.9488 2.2074 1.2644 1.1557 2.2119 1.8130 1.8695 1.4649 2.3077 1.8196 1.7459 1.4408 1.6492 1.6361 1.3575 1.7431 6.2151 1.6182 1.3623 1.3411 1.3018 1.2748 3.6885 1.3595 1.4342 1.2710 4.6735 1.2850 1.3540 1.6141 1.6055 1.7635 2.5161 1.1573 1.8038 1.0959 1.2311 1.0559 1.3389 1.0462 1.0501 1.0876 1.1777 1.1254 1.0895 1.3828 1.2013 2.3633 4.0272 3.6671 5.7448 5.6543 5.7677 9.7271 11.8508 1.0746 1.0736 1.0400 1.0410 1.0626 1.1022 1.1019 1.0280 1.0601 1.0605 1.0851 1.1010 1.0906 1.0921 1.1069 1.0970 1.1128 1.1126 1.0906 1.1111 1.0914 1.1115 1.0978 1.0944 1.0918 1.0990 1.0776 1.0793 1.0826 0.0004 0.0005 0.0012 0.0024 0.0039 0.0078 0.0093 0.0095 0.0221 0.0139 0.0246 0.0102 0.0214 0.0635 0.0181 0.0436 0.0624 0.1248 0.0534 0.0278 0.1093 0.1338 0.2203 0.1018 0.1030 0.2940 0.2042 0.2333 0.2147 0.2198 0.2113 0.2874 0.5320 0.3025 0.6223 0.2892 0.5509 0.3313 0.4632 0.7162 0.3366 0.5542 0.3496 0.5758 0.8583 0.9216 0.4262 0.9355 1.0421 0.5103 0.8244 0.8243 1.1089 2.0354 1.1131 1.5922 1.8767 0.9158 1.7563 2.1931 1.7365 1.4865 0.7530 1.6802 1.3957 1.1968 0.8053 3.0004 1.8698 0.8611 1.7362 1.5197 0.9098 2.1252 1.5053 1.2473 1.9169 2.9002 0.9800 1.4679 1.9949 1.2710 1.1228 2.0401 1.0849 3.1125 2.3386 1.3287 2.4749 2.2125 1.8389 1.8055 2.1770 1.8546 2.1324 1.2387 1.1466 2.1981 1.8788 1.9431 1.5280 2.4125 1.9979 1.9425 1.6198 1.8778 1.8756 1.5958 2.0979 7.6374 2.0043 1.7076 1.7215 1.7027 1.7055 5.1009 1.8936 2.0285 1.8181 6.7345 1.8777 1.9795 2.3816 2.3730 2.6880 3.8691 1.7860 2.8139 1.7115 1.9232 1.6501 2.0952 1.6498 1.6629 1.7229 1.8736 1.7982 1.7495 2.2213 1.9400 3.8983 7.2969 6.8037 10.7467 10.8000 11.4727 23.0990 29.2751 6.2546 6.2728 6.3148 6.3465 6.6465 6.9117 6.9223 6.4906 6.6947 6.7282 6.9267 7.0748 7.0219 7.0419 7.1882 7.1290 7.3230 7.3588 7.2218 7.4473 7.3338 7.5110 7.4584 7.4597 7.4644 7.5730 8.4678 9.3228 9.4037 1.5443 0.6958 1.0878 1.1170 0.4028 2.2951 0.9006 0.4846 1.5815 3.1692 9.3936 0.8905 4.5237 2.1405 0.5214 0.8628 2.3146 1.6919 1.4970 0.6580 2.6187 3.8062 0.5464 0.3108 1.1674 2.8174 6.0404 11.5284 10.3238 6.8881 10.6625 35.6970 7.8103 7.4532 11.9117 2.9083 0.0926 8.3112 3.4127 5.4672 13.1038 3.4066 17.5266 0.0943 3.5833 19.8054 121.1303 14.1466 0.7230 66.3792 1.7805 39.9446 32.8619 31.9124 1.4979 9.4857 3.2482 15.9635 15.4072 25.7188 17.4988 6.8262 18.1908 38.0024 14.5438 14.5881 50.2391 29.8940 22.0680 8.6399 6.4738 21.0146 1.8309 19.9530 28.0219 59.2754 48.8423 102.7696 0.1174 4.0181 87.3820 3.8303 1.7254 27.5498 0.9844 130.8428 30.5765 0.3394 12.3409 1.2402 26.6562 4.5820 123.5528 55.1228 313.9668 7.9540 24.4158 3.9666 28.4541 54.3995 14.3617 3.3937 7.4185 176.2586 27.2940 129.0317 10.8998 57.0422 169.7748 377.6030 15.4648 55.6920 18.3610 142.1248 32.3418 590.5772 4.3549 77.9379 3.9840 375.5713 7.8109 17.2129 60.9100 19.9369 3.1958 94.4151 2.7132 16.2651 2.2489 23.1156 8.8196 133.3424 11.8264 11.7730 1.8737 15.8132 22.3075 18.2284 61.9634 10.9796 178.9240 56.2846 610.5206 6.4266 7.9771 665.4542 205.6987 425.3566 12.2561 52.6063 10.5471 34.4679 8.1743 1.5772 32.9341 17.5758 6.9707 5.6714 11.6018 20.1944 3.6172 1.1942 0.5004 37.0061 3.8582 3.6995 20.6015 9.0223 10.0483 7.4015 12.7798 0.1444 1.7594 5.1821 66.3241 77.3961 250.3906 1.5971 1.7124 0.4695 1.3971 1.6681 0.6451 1.1823 4.4183 1.3982 0.6822 2.8978 0.4212 0.9531 1.1110 0.4484 1.2846 0.7660 1.7815 0.8533 0.2457 0.2633 1.5004 3.4438 2.7275 1.5516 0.8482 1.9535 1.4591 0.9222 0.7459 0.5273 3.3913 2.8690 1.9128 0.4131 0.2732 3.4802 1.7213 1.5388 4.9014 3.9767 2.3570 0.6463 0.0571 1.7135 4.0960 1.4495 2.8647 7.5846 2.3686 0.2668 2.6138 3.7257 19.5583 20.6167 2.8587 4.5319 0.2803 6.5803 3.5371 4.5405 3.2065 1.3517 0.4364 4.6250 2.8907 4.7767 10.5991 3.8691 7.8932 8.8824 8.2455 2.8001 7.1835 1.7114 7.0431 1.5107 0.8886 0.5323 13.9755 33.3885 2.2877 1.0462 3.0058 2.4444 3.4170 22.1160 0.3749 6.7138 7.6972 3.8247 10.3391 12.4583 3.4580 5.4112 3.9871 3.0875 1.6305 5.8793 10.0599 4.9769 9.3833 2.9032 53.8795 80.7064 16.4667 0.6734 3.6596 96.3086 34.0595 4.5247 1.7818 28.1532 4.8650 1.5873 92.6508 0.2097 32.4294 6.0446 194.0664 29.3007 34.9319 3.5299 20.0178 10.3979 410.2138 38.3808 2.3784 21.1744 7.3426 16.0175 13.4656 14.7921 7.7144 8.4197 14.3578 8.4901 8.9511 3.0225 5.8070 58.6592 13.6028 8.4982 21.9311 18.3764 294.8801 95.5212 7.9879 11.2955 78.5017 50.6163 204.8058 29.5012 2.9537 131.9147 98.5857 61.6688 88.7135 88.3229 61.7811 46.0183 110.1996 22.8115 71.6689 41.3369 57.4364 55.5682 44.0315 70.3679 46.0582 200.2115 31.0308 58.5663 180.1457 23.3559 40.9722 78.5942 0.7496 0.7496 0.7490 0.7464 0.7482 0.7397 0.7206 0.7497 0.5740 0.7145 0.6713 0.7499 0.7484 0.6497 0.2851 0.3848 0.2711 0.6810 0.7158 0.6871 0.5159 0.3287 0.2180 0.3865 0.7423 0.3186 0.7488 0.7021 0.7161 0.7451 0.7488 0.4051 0.4696 0.6550 0.7393 0.7454 0.4239 0.1184 0.7410 0.5145 0.6098 0.1796 0.5528 0.7445 0.6196 0.1475 0.6092 0.1685 0.3143 0.4527 0.4635 0.2962 0.2949 0.2229 0.1101 0.6864 0.4971 0.7340 0.6969 0.6192 0.5289 0.1430 0.6335 0.6151 0.6479 0.4802 0.6753 0.2399 0.1131 0.7375 0.0999 0.4726 0.7452 0.6608 0.5794 0.1064 0.5078 0.7390 0.7486 0.6250 0.6153 0.6254 0.7498 0.4917 0.7487 0.6811 0.2605 0.7350 0.6889 0.7499 0.3255 0.7251 0.3028 0.5114 0.1816 0.7500 0.7500 0.4762 0.5640 0.3854 0.7178 0.7493 0.1447 0.2050 0.2610 0.3777 0.6790 0.7133 0.3044 0.7190 0.1964 0.6057 0.5473 0.5264 0.7400 0.3724 0.6172 0.2428 0.7450 0.3548 0.1890 0.4760 0.6785 0.5626 0.5860 0.2160 0.2372 0.6487 0.7469 0.6158 0.7341 0.0807 0.7463 0.7197 0.7493 0.7381 0.6919 0.7499 0.7448 0.7456 0.6620 0.6553 0.5093 0.7295 0.7498 0.3288 0.2683 0.4601 0.5002 0.1141 0.0318 0.0265 0.0593 0.7437 0.7499 0.0075 0.2258 0.0815 0.3190 0.6789 0.4663 0.1806 0.7012 0.6215 0.7499 0.6440 0.3946 0.7462 0.6955 0.7454 0.1691 0.2492 0.7003 0.2085 0.1197 0.1493 0.2408 0.8569 0.8569 0.8565 0.8548 0.8560 0.8504 0.8376 0.8569 0.7293 0.8335 0.8033 0.8571 0.8561 0.7877 0.4437 0.5557 0.4266 0.8102 0.8344 0.8145 0.6807 0.4948 0.3579 0.5576 0.8521 0.4833 0.8564 0.8250 0.8346 0.8539 0.8563 0.5766 0.6391 0.7916 0.8501 0.8542 0.5954 0.2117 0.8512 0.6794 0.7576 0.3045 0.7120 0.8536 0.7651 0.2571 0.7572 0.2885 0.4783 0.6232 0.6334 0.4571 0.4555 0.3646 0.1984 0.8140 0.6640 0.8466 0.8214 0.7648 0.6919 0.2502 0.7756 0.7617 0.7863 0.6489 0.8062 0.3870 0.2031 0.8489 0.1817 0.6418 0.8540 0.7957 0.7337 0.1923 0.6735 0.8499 0.8562 0.7693 0.7618 0.7695 0.8570 0.6593 0.8563 0.8103 0.4133 0.8473 0.8158 0.8571 0.4912 0.8406 0.4648 0.6767 0.3074 0.8571 0.8571 0.6452 0.7212 0.5564 0.8357 0.8567 0.2528 0.3402 0.4140 0.5483 0.8088 0.8327 0.4667 0.8365 0.3283 0.7544 0.7074 0.6897 0.8506 0.5427 0.7633 0.3907 0.8539 0.5238 0.3180 0.6449 0.8084 0.7201 0.7390 0.3552 0.3834 0.7869 0.8551 0.7622 0.8466 0.1494 0.8547 0.8370 0.8567 0.8493 0.8179 0.8571 0.8538 0.8542 0.7966 0.7918 0.6749 0.8436 0.8570 0.4948 0.4231 0.6302 0.6668 0.2048 0.0616 0.0515 0.1119 0.8530 0.8571 0.0150 0.3684 0.1508 0.4837 0.8088 0.6361 0.3059 0.8244 0.7666 0.8571 0.7834 0.5659 0.8547 0.8204 0.8541 0.2892 0.3990 0.8238 0.3451 0.2138 0.2598 0.3882 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 6 6 6 6 6 6 6 6 7 6 6 7 1 6 6 6 6 8 7 6 6 6 6 6 6 6 7 1 6 1 6 8 8 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 1.00783 12.00000 15.99491 15.99491 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 7253.5477 52371.2511 56894.4028 0.99976 0.02159 -0.00400 -0.02155 0.99972 0.00976 0.00421 -0.00967 0.99994 1 0.01194 0.00165 0.00152 0.24881 0.03446 0.03172 16.48 20.95 26.46 42.29 59.95 61.42 77.48 91.00 114.86 124.35 138.86 158.92 163.78 194.82 218.35 232.24 244.51 262.08 274.32 275.65 300.34 336.74 368.06 372.69 401.95 413.44 427.50 453.46 464.99 484.04 501.92 520.31 531.89 565.22 598.30 630.65 653.02 698.85 752.18 761.87 769.87 789.61 803.98 810.45 818.50 860.16 883.62 903.27 925.66 940.64 946.01 976.03 987.15 1082.66 1105.59 1116.24 1145.70 1166.80 1187.08 1219.50 1233.96 1263.48 1282.89 1294.81 1299.88 1321.45 1342.50 1371.23 1423.52 1434.15 1443.53 1472.90 1482.55 1491.31 1550.80 1561.44 1571.57 1580.84 1602.39 1606.48 1616.06 1638.80 1660.31 1664.48 1666.75 1678.53 1695.83 1700.58 1704.34 1729.45 1752.04 1789.61 1805.91 1828.59 1842.29 1855.32 1867.02 1868.55 1908.15 1910.97 1914.32 1916.52 1964.14 1977.15 1987.44 2000.09 2006.94 2032.35 2056.41 2077.86 2086.10 2098.63 2123.68 2143.67 2168.06 2204.28 2212.15 2229.18 2241.81 2250.08 2265.81 2266.37 2276.87 2278.84 2314.16 2324.39 2328.54 2341.12 2342.46 2342.83 2343.24 2344.77 2353.84 2358.73 2359.27 2364.17 2369.31 2375.29 2375.71 2382.07 2407.38 2523.11 2553.17 2563.71 2590.55 2643.63 2888.51 2946.07 4522.05 4530.81 4618.79 4628.20 4687.81 4693.87 4698.10 4709.94 4710.43 4721.32 4735.86 4751.42 4756.18 4759.68 4776.55 4778.41 4808.51 4820.51 4823.50 4852.83 4858.88 4872.55 4885.84 4893.73 4901.18 4920.38 5254.47 5509.05 5524.39 0.547557 0.576540 0.577484 0.482697 -3936.966172 -3936.937189 -3936.936245 -3937.031032 3.179172D-04 MUNgauss RevisionA2.1 retrievium 27-May-2021 DUDE Cc1cccc(c1C)N2CC[NH+](CC2)CC(=O)NC3=c4cc(ccc4=[NH+][C@@H]3C(=O)OC)Br C39582254 RHF 6-31G(d) (6D,10F) C1 500.142302 |X|Y|Z| 30.698078 56.413755 162.152404 65.484703 24 6 7 20 4 |36.858105| |12.599949|36.858105| |7.604120|13.750018|36.858105| |5.022616|7.882658|13.745999|36.858105| |4.437071|6.848205|7.988965|13.831537|36.858105| |5.012508|7.925164|6.918509|7.940251|13.688508|36.858105| |7.509592|13.550679|7.895043|6.796749|7.855385|13.680914|36.858105| |6.524034|7.561275|5.023004|4.414953|4.981706|7.487935|12.597152|36.858105| |3.816653|5.104342|4.536272|5.129786|7.784426|13.173308|7.761160|6.534138|53.358707| |3.219452|4.096060|3.826077|4.397072|6.241912|7.820801|5.488814|4.897172|17.964022|36.858105| |2.705894|3.226660|2.977833|3.275950|4.228053|5.099394|4.144977|4.152000|10.708974|12.517897|36.858105| |2.453109|2.896774|2.719205|3.017961|3.855829|4.456759|3.628478|3.615640|9.091414|7.669256|12.581598|53.358707| |2.334679|2.777442|2.685424|3.059633|3.923998|4.262009|3.387838|3.238207|8.181897|7.179934|9.323066|25.619211|0.500000| |2.710570|3.230234|2.978046|3.272300|4.219213|5.096054|4.151240|4.166573|10.689452|6.619657|7.650456|17.122555|0.256582|36.858105| |3.230394|4.107966|3.829329|4.390532|6.218411|7.826245|5.513366|4.930388|17.961227|7.964937|6.627580|10.437876|0.198185|12.515971|36.858105| |2.115729|2.408978|2.259755|2.447226|2.969105|3.353308|2.912934|3.010724|6.118817|4.986016|7.639786|17.500522|0.261957|7.650375|4.988568|36.858105| |1.884708|2.133475|2.045751|2.234557|2.662236|2.877840|2.503754|2.526217|4.961927|4.265154|5.995520|10.560928|0.217775|5.060002|3.897871|12.500953|36.858105| |1.887778|2.161262|2.109595|2.347302|2.811836|2.951448|2.514185|2.463336|5.019071|4.490515|5.888100|9.713088|0.238750|4.696946|3.906972|8.041718|16.013947|73.516695| |1.689831|1.874995|1.794997|1.930243|2.241147|2.411698|2.162080|2.214806|3.999124|3.322626|4.384722|7.000944|0.139770|3.890020|3.098583|7.783974|13.869181|14.978416|53.358707| |1.530026|1.686335|1.632432|1.755688|2.006192|2.115293|1.909121|1.935718|3.399533|2.823367|3.506552|5.306040|0.110457|3.098600|2.604032|5.069752|7.825033|11.980680|18.980866|36.858105| |1.394469|1.517812|1.468379|1.563699|1.760180|1.852043|1.699259|1.734978|2.917740|2.367862|2.852270|4.239033|0.086947|2.611263|2.229042|3.917983|5.151721|8.098993|10.672816|13.994119|36.858105| |1.343458|1.447436|1.390536|1.465200|1.637789|1.737182|1.616731|1.672703|2.719812|2.158922|2.583214|3.834271|0.076720|2.448498|2.081074|3.553409|4.219338|6.451668|8.237241|7.409890|13.217817|36.858105| |1.228615|1.314173|1.267150|1.329755|1.470313|1.548434|1.452276|1.499496|2.385053|1.878090|2.190483|3.202098|0.064486|2.091975|1.816975|2.844045|3.272765|5.223941|5.814307|5.136593|7.981248|14.221876|36.858105| |1.163780|1.245701|1.210577|1.274661|1.402108|1.460324|1.366328|1.396610|2.227609|1.764300|2.023368|2.926241|0.059907|1.909373|1.689689|2.522181|2.949693|4.909104|5.021959|4.647876|6.887324|7.844803|13.123349|36.858105| |1.190053|1.281875|1.252982|1.328642|1.465332|1.515180|1.405777|1.423561|2.313192|1.854879|2.122197|3.060571|0.063633|1.966172|1.751376|2.611364|3.165420|5.427954|5.337679|5.305662|7.682683|6.616415|7.722704|14.086891|36.858105| |1.300693|1.413514|1.380695|1.474118|1.643983|1.704158|1.564159|1.579514|2.638621|2.146706|2.504057|3.645715|0.076384|2.276278|2.002619|3.175692|4.089644|7.014388|7.242341|8.469133|13.259890|7.645347|6.821599|8.063273|13.445310|36.858105| |1.344237|1.472504|1.449110|1.561654|1.748059|1.793917|1.628613|1.624376|2.777434|2.296895|2.657997|3.844652|0.082560|2.358152|2.101198|3.257166|4.359092|8.031310|7.166475|8.313860|8.433679|5.287222|4.656974|5.256713|7.725512|14.492574|53.358707| |1.290791|1.412139|1.398697|1.509359|1.677331|1.704457|1.549336|1.535021|2.606142|2.152409|2.434675|3.475719|0.075180|2.160932|1.962229|2.851959|3.684192|6.992361|5.699768|5.847377|5.903447|4.221982|3.940200|4.624193|6.774728|9.211237|25.943820|0.500000| |1.495744|1.657514|1.627393|1.768678|2.013364|2.077292|1.857591|1.846626|3.286475|2.779407|3.315190|4.863947|0.106194|2.844907|2.493185|4.199593|6.303592|12.192228|10.184188|12.611554|8.113002|5.044074|4.085389|4.135158|5.183437|8.326298|17.891816|0.245681|36.858105| |1.518011|1.694764|1.677445|1.842039|2.106280|2.147338|1.897438|1.862883|3.398433|2.859828|3.345482|5.073842|0.115293|2.979451|2.627765|4.250167|6.343307|13.576598|9.005505|8.841595|6.183705|4.276232|3.556058|3.597160|4.387913|6.312826|12.396178|0.207002|17.605054|0.500000| |1.557596|1.730962|1.703058|1.854127|2.110054|2.170239|1.937497|1.915221|3.411806|2.986428|3.529882|4.814439|0.104836|2.773209|2.499528|3.916301|5.562806|11.530854|7.870912|7.300773|5.449528|3.926261|3.326215|3.386464|4.103013|5.651673|10.734994|0.193970|12.379271|0.248027|36.858105| |1.504461|1.672180|1.664348|1.820701|2.051426|2.071685|1.848690|1.804230|3.189910|2.782317|3.137399|4.225818|0.093423|2.504130|2.325335|3.278648|4.341926|9.234065|5.883663|5.181006|4.263247|3.248697|2.876279|3.015681|3.675619|4.709062|9.017715|0.191174|8.108204|0.202028|16.159561|73.516695| |1.646929|1.824975|1.772224|1.911254|2.184012|2.292305|2.062613|2.069514|3.643027|3.242454|3.986224|5.168659|0.107867|2.921999|2.606029|4.269411|5.891886|11.154683|8.377635|6.874604|5.199124|3.965637|3.301113|3.228849|3.709526|4.885875|7.857461|0.139909|7.981096|0.169458|14.579603|15.215715|73.516695| |1.674401|1.848533|1.798254|1.929823|2.182468|2.280817|2.071282|2.070835|3.545656|3.197495|3.756958|4.561507|0.094380|2.654832|2.453648|3.533332|4.360850|8.341330|5.863708|4.529299|3.795854|3.133006|2.732327|2.707055|3.045936|3.706462|5.778272|0.110979|5.113186|0.120911|8.143627|12.611679|23.488559|36.858105| |1.157742|1.225030|1.175846|1.221843|1.339390|1.416082|1.346245|1.402974|2.158804|1.668952|1.919829|2.788880|0.055473|1.879224|1.642973|2.432168|2.637827|4.212882|4.418627|3.538073|4.588119|6.761536|10.154626|6.671291|4.595781|4.083597|4.345867|0.079080|2.938044|0.073991|2.534558|4.005769|4.567848|2.228316|2539.412838| |17.551223|8.814760|5.899393|4.293787|3.963474|4.574410|6.665378|6.601202|4.973838|3.021471|2.610272|3.290699|0.063420|2.729611|3.206524|2.106011|1.856785|3.273732|2.277377|1.509487|1.381381|1.339901|1.225960|1.156361|1.176758|1.283144|1.794585|0.035075|1.463674|0.041255|1.509650|2.579918|2.835179|1.606569|39.548109|0.500000| |17.550084|8.814267|5.902731|4.294657|3.962718|4.571962|6.659329|6.588575|4.969989|3.190515|2.721250|3.287213|0.063366|2.612738|3.028726|2.103997|1.880742|3.336218|2.307608|1.536529|1.402837|1.353589|1.238438|1.172280|1.197446|1.307731|1.836449|0.035971|1.499490|0.041977|1.572106|2.695262|2.980589|1.719742|39.753667|0.302514|0.500000| |17.607631|8.866655|7.362553|4.795572|3.993132|4.184806|5.554797|4.773500|4.429882|2.826361|2.395059|2.988271|0.058800|2.398579|2.834241|1.912076|1.728023|3.096075|2.121396|1.424361|1.304011|1.255697|1.154572|1.099110|1.125211|1.224642|1.725103|0.033962|1.401588|0.039584|1.459856|2.524066|2.725834|1.563081|37.074127|0.302401|0.302392|0.500000| |7.095220|8.949579|17.724523|8.945444|5.676817|4.976144|5.628461|4.099648|4.916182|3.163366|2.555553|3.210711|0.064999|2.555961|3.165882|2.004453|1.836764|3.366164|2.220515|1.497673|1.357865|1.289883|1.183098|1.134458|1.172917|1.284325|1.831800|0.036236|1.497658|0.042823|1.565925|2.735723|2.884984|1.652372|37.525392|0.153725|0.153867|0.229004|0.500000| |4.101828|5.624154|8.904650|17.731475|8.931767|5.642527|4.913391|3.534860|5.663396|3.768599|2.908537|3.712641|0.078246|2.904314|3.760179|2.250272|2.096063|3.954088|2.480785|1.677427|1.499376|1.400908|1.277817|1.232804|1.289320|1.425990|2.064770|0.040983|1.707654|0.049649|1.790118|3.157864|3.243871|1.844804|39.909066|0.099593|0.099618|0.114264|0.215613|0.500000| |3.547668|4.937620|5.667913|8.956381|17.698141|8.879125|5.606680|4.063554|9.752435|6.456537|4.390666|5.621922|0.122575|4.374509|6.405969|3.129722|2.861510|5.511769|3.230519|2.132080|1.853284|1.705431|1.526823|1.462387|1.539529|1.738218|2.541164|0.049858|2.167937|0.063833|2.271314|3.948982|4.121384|2.297591|46.886072|0.090245|0.090221|0.090841|0.124662|0.215619|0.500000| |6.664737|6.755296|4.612125|3.963558|4.275812|5.839737|8.843124|17.553958|7.061750|4.364074|3.792144|4.378281|0.080632|3.515560|3.976767|2.756103|2.365320|4.105628|2.862713|1.856449|1.674464|1.617660|1.457339|1.360875|1.386030|1.531293|2.140803|0.041402|1.776566|0.049373|1.861644|3.127406|3.603940|2.060693|46.538425|0.177471|0.218023|0.135585|0.108722|0.090306|0.098934|0.500000| |6.631637|6.739079|4.607426|3.964271|4.281095|5.851669|8.843290|17.552522|7.086088|3.966294|3.514119|4.393672|0.080869|3.822821|4.414425|2.764462|2.321246|3.996237|2.808848|1.811276|1.639901|1.595824|1.438250|1.337192|1.355364|1.493611|2.077332|0.040090|1.719727|0.048263|1.762325|2.954318|3.359040|1.875935|46.240225|0.217259|0.176071|0.135161|0.108577|0.090324|0.099087|0.303486|0.500000| |4.772391|5.563538|4.169316|3.944570|4.707082|7.165233|8.828644|17.645115|10.591337|5.702175|5.086180|5.927810|0.104007|5.101251|5.737083|3.575437|2.894413|4.932048|3.415173|2.151600|1.912169|1.843596|1.635859|1.511490|1.538633|1.719785|2.400957|0.045944|2.025758|0.056589|2.093014|3.461258|4.059831|2.259748|51.853041|0.134712|0.134665|0.104669|0.095995|0.089889|0.111976|0.301978|0.302003|0.500000| |2.936458|3.732559|3.704406|4.498034|6.436153|6.678146|4.652323|3.982980|12.183523|17.429012|8.861437|9.336494|0.209609|5.751973|7.052349|4.607660|4.238955|8.482982|4.452374|2.844759|2.369118|2.126495|1.857386|1.765830|1.877866|2.182052|3.234923|0.062410|2.893661|0.084482|3.133824|5.297405|5.864383|3.247535|55.648701|0.076148|0.079806|0.073477|0.086179|0.111322|0.212037|0.100132|0.093336|0.121982|0.500000| |3.420165|4.318390|3.973637|4.415326|5.887783|7.334888|5.691338|5.112082|12.514874|17.618970|8.995929|7.611426|0.145492|4.953731|5.731145|4.141152|3.687906|6.858461|4.084598|2.607236|2.220236|2.035355|1.787314|1.687053|1.771505|2.032252|2.953640|0.056891|2.584834|0.072672|2.843110|4.760618|5.580232|3.228807|54.368882|0.086984|0.096878|0.083051|0.091511|0.104474|0.158481|0.134250|0.111235|0.159318|0.302378|0.500000| |2.425722|2.839336|2.675967|2.946509|3.673037|4.163623|3.485453|3.463395|7.690643|8.777399|17.638749|12.319447|0.225900|5.593805|4.963810|7.113648|6.740016|12.451365|6.627964|3.950858|3.131131|2.760426|2.326635|2.166747|2.304104|2.762480|4.063274|0.075710|3.823402|0.105304|4.281490|6.644848|8.945124|4.758849|68.046604|0.064572|0.068340|0.060589|0.064937|0.074392|0.107906|0.091039|0.082790|0.112785|0.215412|0.211624|0.500000| |2.794843|3.250522|2.899334|3.070381|3.836784|4.830071|4.232282|4.596809|9.684118|8.839233|17.631670|12.375608|0.181950|7.006142|5.851088|7.041701|5.231429|8.500918|5.635435|3.297297|2.755246|2.564212|2.178872|1.988309|2.053943|2.392983|3.380484|0.063032|3.023168|0.082921|3.186414|5.012681|6.533154|3.507864|66.071048|0.075718|0.079303|0.067848|0.069442|0.075063|0.105712|0.117992|0.107245|0.165735|0.173472|0.216056|0.298227|0.500000| |2.431738|2.844477|2.677892|2.944783|3.667547|4.163789|3.492723|3.476727|7.684147|4.964095|5.593046|12.316084|0.223607|17.617287|8.781620|7.116541|4.941550|8.107273|5.300881|3.122940|2.653214|2.500463|2.138022|1.947264|1.999533|2.309386|3.238665|0.060466|2.849095|0.084241|2.689382|4.326138|4.917542|2.471745|65.445200|0.068608|0.064675|0.060726|0.064988|0.074312|0.107549|0.082892|0.091818|0.113079|0.129600|0.108995|0.126314|0.143242|0.500000| |2.793994|3.245833|2.893171|3.060639|3.819701|4.808469|4.224165|4.599502|9.612490|5.813899|6.974530|12.354239|0.180964|17.632129|8.817794|7.059987|4.575454|7.240372|5.060822|2.952089|2.537325|2.434134|2.083281|1.880713|1.912073|2.192357|3.040381|0.056733|2.653390|0.075459|2.594644|4.144142|4.957659|2.557683|64.697359|0.079380|0.075659|0.067826|0.069323|0.074833|0.105169|0.107090|0.118668|0.165592|0.133207|0.130338|0.142972|0.210503|0.298825|0.500000| |3.442071|4.341087|3.978586|4.402291|5.851158|7.338668|5.736527|5.176670|12.508899|5.730413|4.959882|7.612571|0.144674|8.998626|17.620740|4.144618|3.292767|5.778151|3.712135|2.324325|2.031238|1.926049|1.698929|1.578462|1.622922|1.832040|2.590216|0.049562|2.214522|0.064580|2.200715|3.661538|4.062443|2.162416|53.052774|0.097714|0.087463|0.083481|0.091622|0.104042|0.156757|0.112140|0.136818|0.161009|0.143466|0.128086|0.109037|0.131140|0.211558|0.216099|0.500000| |2.946864|3.744855|3.710544|4.495134|6.417801|6.689834|4.671829|4.003736|12.192765|7.054828|5.751378|9.326342|0.207809|8.864391|17.426606|4.606068|3.854360|7.199380|4.140744|2.606468|2.220757|2.046480|1.793831|1.685836|1.763612|2.021522|2.924576|0.056114|2.555927|0.076375|2.556105|4.284244|4.627520|2.441736|54.744371|0.080234|0.076305|0.073706|0.086308|0.111122|0.209910|0.093463|0.101128|0.122488|0.207505|0.143544|0.129372|0.133696|0.216016|0.173330|0.302458|0.500000| |2.142287|2.402469|2.214197|2.349390|2.812040|3.248630|2.916732|3.129032|5.845856|4.715946|7.362994|12.340860|0.183319|6.506101|4.476413|17.612700|8.756479|10.780745|9.583638|4.709956|3.802953|3.583302|2.868532|2.503939|2.548105|3.050473|4.158511|0.074422|3.814153|0.102773|3.659555|5.437621|7.439998|3.550757|85.025646|0.059446|0.059906|0.053459|0.054693|0.059599|0.080255|0.080677|0.079667|0.105087|0.115588|0.114102|0.190391|0.223505|0.160058|0.193460|0.106701|0.110582|0.500000| |2.023581|2.285770|2.151150|2.320407|2.779648|3.105499|2.730587|2.825154|5.496079|4.171658|5.612278|12.343299|0.210535|7.514226|4.767939|17.581332|8.927670|11.320780|9.352228|4.701855|3.802495|3.561433|2.864245|2.513564|2.566390|3.073053|4.205693|0.075324|3.847701|0.110461|3.432141|5.209982|6.398580|3.003647|84.623139|0.056585|0.055415|0.051021|0.053329|0.059604|0.081252|0.071223|0.073850|0.092040|0.109163|0.097307|0.142404|0.148919|0.230642|0.193821|0.115155|0.123648|0.301366|0.500000| |1.676105|1.842417|1.747233|1.857609|2.143760|2.335342|2.126819|2.217807|3.860167|3.118031|4.098314|6.521141|0.124044|3.824494|2.996531|7.494628|9.320325|10.836133|25.958194|9.433732|7.272622|6.693743|4.554405|3.709887|3.740917|4.788945|6.033458|0.100322|5.574728|0.138942|4.557501|6.359604|8.865736|3.754855|121.419083|0.046433|0.046807|0.042834|0.044187|0.048511|0.062230|0.058550|0.057885|0.070171|0.083325|0.078828|0.121280|0.112795|0.106951|0.105490|0.074552|0.080074|0.211099|0.197714|0.500000| |1.400289|1.505884|1.435621|1.505946|1.688551|1.810741|1.692589|1.770287|2.856165|2.244357|2.719896|4.077345|0.079812|2.628334|2.193866|3.889186|4.387663|6.433678|8.578641|6.502107|8.661337|17.750367|9.078501|5.588086|4.819920|5.487440|5.817289|0.097725|4.383388|0.106740|3.559071|5.252212|6.614856|2.991244|220.381482|0.038973|0.039211|0.036197|0.036894|0.039765|0.048557|0.047432|0.047053|0.054608|0.060580|0.058565|0.079481|0.076281|0.074641|0.073742|0.056599|0.059183|0.111991|0.110098|0.220448|0.500000| |1.093804|1.164924|1.133464|1.189226|1.299442|1.349847|1.270094|1.298470|2.040900|1.605392|1.818246|2.612899|0.053444|1.728770|1.544838|2.214976|2.530411|4.250432|4.164551|3.683356|4.962699|5.652491|8.789734|17.742536|9.076221|5.692675|5.711215|0.108049|3.387056|0.084091|2.886197|4.689605|4.919324|2.394168|223.137172|0.030219|0.030613|0.028782|0.029623|0.032023|0.037534|0.035236|0.034665|0.038827|0.044617|0.042847|0.053715|0.049823|0.048976|0.047455|0.040356|0.042814|0.061313|0.061559|0.085974|0.124277|0.500000| |1.135381|1.221312|1.199825|1.273070|1.395874|1.432696|1.330603|1.340109|2.166956|1.736561|1.956024|2.796666|0.058547|1.809869|1.635169|2.331509|2.792692|4.907910|4.509614|4.305649|5.509458|4.820299|5.527604|8.973217|17.754365|8.757570|9.255545|0.191732|4.540363|0.110636|3.791905|6.342957|5.984792|2.859854|130.292375|0.031123|0.031720|0.029938|0.031313|0.034482|0.040785|0.036324|0.035463|0.039980|0.049144|0.046290|0.058946|0.052394|0.051054|0.048735|0.042201|0.045983|0.062980|0.063535|0.087101|0.105305|0.216567|0.500000| 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