Version2.4 2021-05-24T15:28:59Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC[C@H](c1ccccc1)[NH2+]Cc2cc(c(c(c2)Br)OCc3ccc(cc3)C)OCC C10436353 RHF 6-31G(d) (6D,7F) CCC[C@H](c1ccccc1)[NH2+]Cc2cc(c(c(c2)Br)OCc3ccc(cc3)C)OCC C01[X(C27H33Br1N1O2)] 186 C1 546 CCC[C@H](c1ccccc1)[NH2+]Cc1cc(Br)c(c(c1)OCC)OCc1ccc(cc1)C CCC[C@H](c1ccccc1)[NH2+]Cc1cc(Br)c(c(c1)OCC)OCc1ccc(cc1)C CCC[C@@H]([NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OCC)c1)c3ccccc3 InChIKey=UYTULYKVKHAHHM-RUZDIDTESA-O InChI=1S/C27H32BrNO2/c1-4-9-25(23-10-7-6-8-11-23)29-18-22-16-24(28)27(26(17-22)30-5-2)31-19-21-14-12-20(3)13-15-21/h6-8,10-17,25,29H,4-5,9,18-19H2,1-3H3/p+1/t25-/m1/s1 InChI=1/C27H32BrNO2/c1-4-9-25(23-10-7-6-8-11-23)29-18-22-16-24(28)27(26(17-22)30-5-2)31-19-21-14-12-20(3)13-15-21/h6-8,10-17,25,29H,4-5,9,18-19H2,1-3H3/p+1/t25-/m1/s1/fC27H33BrNO2/h29H/q+1 CCC[C@H](c1ccccc1)[NH2+]Cc2cc(c(c(c2)Br)OCc3ccc(cc3)C)OCC C01[X(C27H33Br1N1O2)] 186 C01 546 CCC[C@H](c1ccccc1)[NH2+]Cc1cc(Br)c(c(c1)OCC)OCc1ccc(cc1)C CCC[C@H]([C]1[CH][CH][CH][CH][CH]1)[NH2]C[C]1[CH][C]([C]([C]([CH]1)OCC)OC[C]1[CH][CH][C]([CH][CH]1)C)Br CCC[C@@H]([NH2]C[C]1[CH][C](Br)[C](OC[C]2[CH][CH][C](C)[CH][CH]2)[C]([CH]1)OCC)[C]3[CH][CH][CH][CH][CH]3 InChIKey=MZXSXBNZOLFGNM-RUZDIDTESA-N InChI=1S/C27H33BrNO2/c1-4-9-25(23-10-7-6-8-11-23)29-18-22-16-24(28)27(26(17-22)30-5-2)31-19-21-14-12-20(3)13-15-21/h6-8,10-17,25H,4-5,9,18-19,29H2,1-3H3/t25-/m1/s1 InChI=1/C27H33BrNO2/c1-4-9-25(23-10-7-6-8-11-23)29-18-22-16-24(28)27(26(17-22)30-5-2)31-19-21-14-12-20(3)13-15-21/h6-8,10-17,25H,4-5,9,18-19,29H2,1-3H3/t25-/m1/s1 3427.2043411532 -3815.5190153 1-A 24693.1269 126 420 546 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.15714 -64.56782 -58.70692 -58.70494 -58.70476 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1.2506 1.3178 1.4337 1.3507 1.2582 1.2526 1.8478 1.5235 1.4777 2.5018 1.3618 1.4742 1.0398 1.0445 1.0573 1.1044 1.0603 1.0400 1.1115 1.1009 2.0450 1.3270 2.1070 1.3015 2.5501 6.9569 5.5432 4.9940 5.0617 5.0230 1.0849 5.5298 1.0700 1.0556 1.0378 1.0561 1.0606 1.0801 1.0376 1.0631 1.1098 1.1025 1.0980 1.1001 1.0831 1.1023 1.0732 1.1032 1.1031 1.1039 1.1056 1.0902 1.0892 1.0901 1.1094 1.0909 1.0953 1.0935 1.0910 1.0945 1.0916 1.0951 1.0990 1.0557 1.0952 0.0003 0.0006 0.0009 0.0009 0.0022 0.0010 0.0039 0.0043 0.0092 0.0069 0.0045 0.0154 0.0177 0.0176 0.0138 0.0190 0.0376 0.0834 0.0747 0.0630 0.0782 0.0930 0.1779 0.0801 0.0593 0.0748 0.1070 0.1665 0.1533 0.2406 0.2310 0.3035 0.3115 0.3533 0.2732 0.3784 0.4398 0.3519 0.3667 0.6065 0.6929 0.5812 0.6020 0.7055 1.0820 1.1179 1.1531 0.9858 1.6700 1.3748 1.9788 1.2068 0.6845 1.1690 0.4657 1.3211 0.9515 1.5695 0.7668 2.0958 0.8844 0.7163 0.8070 0.8817 1.0494 1.4056 0.6763 0.7521 0.8760 1.0156 1.2001 0.9543 1.6791 1.4041 1.0841 1.0194 1.2688 1.6596 3.9753 2.1227 2.4972 1.0081 1.1739 1.6322 1.6293 1.2448 1.7662 1.5399 1.0736 2.7234 1.2575 1.4086 1.6408 2.0097 1.8580 2.1551 1.8287 2.2733 2.1092 1.5016 2.3269 1.1704 1.2008 2.0213 1.5667 3.8721 2.2552 1.8238 2.0556 1.5695 1.3686 3.5496 1.5094 1.3287 1.4594 3.0181 1.6366 1.7968 1.7095 1.6596 1.8673 1.7603 1.8596 2.0360 1.9433 1.8237 1.8237 2.7105 2.2449 2.1798 3.7641 2.1171 2.2961 1.6223 1.6370 1.6625 1.7500 1.6849 1.6532 1.7819 1.7705 3.3341 2.1878 3.4746 2.1615 4.3280 12.7933 10.3211 9.3738 9.5068 9.6566 2.1165 10.8910 6.3275 6.3918 6.2879 6.4212 6.4612 6.6168 6.3569 6.5485 6.8984 6.9054 6.9209 6.9747 6.8894 7.0150 6.8490 7.0505 7.0524 7.0723 7.1276 7.1910 7.2087 7.2295 7.3718 7.2641 7.3412 7.3665 7.3529 7.3923 7.4003 7.4282 7.5056 8.4132 9.0407 0.3436 0.2443 0.2472 0.1511 0.8370 0.2412 0.3788 0.3044 1.0079 2.1061 0.1000 0.9322 1.8046 1.0798 2.1577 0.7570 0.1660 0.5980 0.2002 1.4246 6.8893 3.2319 1.8237 0.9738 0.0945 3.5442 0.7945 0.4336 2.8322 0.1347 1.2018 9.3185 3.6652 1.4337 0.3728 4.8377 3.4665 0.0518 0.8117 3.6113 4.2055 16.9021 3.6396 17.8560 1.6926 2.3897 0.7342 1.9474 1.6652 8.4912 0.6539 15.1462 33.1482 0.5133 15.2544 3.5481 18.7573 0.2216 52.5395 13.5581 1.3087 1.7234 20.1788 35.3013 26.4184 24.9270 0.1332 7.8368 39.4435 8.6107 21.2609 12.9199 78.9321 2.0584 6.4052 0.6343 59.5066 10.0293 6.2120 4.1910 117.2747 0.0655 11.5374 8.3506 22.2428 4.5323 1.3198 0.4617 0.0125 123.4554 3.3458 3.1388 1.6004 2.7156 11.3445 22.2710 14.1593 65.8834 153.3080 5.0837 1.1687 1.8556 5.3606 2.5653 26.6659 11.0687 0.7907 9.6293 18.0544 6.2346 9.4427 186.4223 0.3448 2.0306 44.0555 243.0730 6.2848 14.4935 14.0954 5.8062 8.9705 62.0252 17.5251 184.7642 127.4320 1.9575 6.5229 118.0076 72.7719 130.9182 75.2271 3.9922 16.8372 6.2787 5.1579 4.7507 14.6955 3.4391 10.7006 2.6876 3.3796 121.8488 55.4831 6.2960 35.7974 21.3771 100.8241 1.0824 6.2253 4.6844 1.0760 61.3629 10.6420 69.9721 39.9007 34.3975 10.7992 13.6875 23.8933 19.1031 26.9934 34.9936 25.9752 2.3601 31.5259 13.1242 21.9398 18.0905 23.9766 35.0078 17.8660 30.3875 14.9678 18.7139 13.9964 1.0599 6.7674 28.7317 3.3174 1.0981 10.4880 5.7517 11.3925 7.5199 28.8264 52.1433 1.0067 0.8505 1.5907 5.0712 0.2996 0.7193 3.2695 6.3127 1.9860 2.0170 0.3906 0.7544 0.6912 0.5856 0.5834 1.5192 0.2700 1.0026 0.5603 0.3339 1.8928 1.9621 2.9429 1.0830 1.1957 0.7053 0.7383 1.7861 0.5081 3.4218 3.6145 2.9400 2.8964 3.4706 1.8982 2.0237 2.5413 0.0717 0.1026 2.4379 0.7197 0.5467 0.9969 1.7499 0.8825 1.4398 1.8087 2.5917 5.5364 0.4969 7.8527 0.1838 1.7107 0.3184 2.0932 14.9537 4.6531 7.9851 1.9229 7.2459 5.2292 1.4871 5.7333 9.7705 2.9930 19.3317 2.0854 4.2436 1.3731 10.3808 2.9562 0.9508 6.4650 17.8274 9.7232 1.8395 6.3231 4.6806 27.2963 10.2751 29.8260 0.3170 4.1039 9.6076 12.7687 2.5645 15.3498 6.8816 0.4504 6.7120 0.0730 1.1155 0.1830 5.2999 4.7913 27.3675 4.8073 18.2707 13.2061 1.0177 8.1798 4.0468 3.4625 8.2273 14.3707 19.7822 5.1982 1.3166 4.8931 2.8939 7.8511 11.6270 3.9517 10.7665 9.2598 20.1389 1.3217 0.4127 19.7661 9.4111 4.7561 4.6384 23.7347 17.7208 3.8822 25.3339 1.9995 4.1128 2.8376 4.9251 24.3243 7.9034 10.7248 19.7731 22.4459 15.0964 15.1109 16.0875 18.8682 7.4682 0.9152 27.8404 8.2822 0.4985 11.7108 2.1906 7.6227 7.6747 132.4547 11.3702 36.2781 17.1344 81.3771 96.2036 34.0996 190.1626 20.6201 152.4844 50.4278 143.3865 57.1155 57.5825 105.0186 20.3465 51.8583 10.3376 65.9681 97.2991 98.5055 80.7197 17.1239 36.5658 38.6868 41.9627 87.0315 33.3476 42.6065 108.2428 54.5288 82.3995 120.1424 59.9029 62.8647 250.3382 31.8117 20.2851 0.7452 0.7399 0.7469 0.7500 0.7497 0.7500 0.7443 0.7443 0.6644 0.7418 0.7487 0.7356 0.7131 0.7499 0.5706 0.6511 0.7225 0.1729 0.5285 0.6319 0.6291 0.7114 0.1450 0.6426 0.2338 0.4311 0.3084 0.3843 0.6692 0.1837 0.4129 0.2432 0.7279 0.5332 0.2647 0.7474 0.3278 0.6299 0.6747 0.3617 0.7136 0.7499 0.3857 0.3553 0.5277 0.4514 0.6283 0.5306 0.7017 0.6352 0.7099 0.6768 0.3418 0.7499 0.1994 0.1029 0.1199 0.2012 0.4101 0.2327 0.1864 0.1950 0.1556 0.1881 0.6034 0.0937 0.7430 0.2276 0.1878 0.2394 0.1699 0.5298 0.3200 0.3130 0.6870 0.6230 0.7152 0.2258 0.0707 0.7459 0.4011 0.2906 0.4963 0.5726 0.3686 0.5858 0.3505 0.3525 0.4419 0.6622 0.7422 0.1963 0.2544 0.1332 0.5264 0.2761 0.6199 0.3298 0.2904 0.7317 0.1036 0.6577 0.4828 0.0188 0.4046 0.1806 0.3275 0.6432 0.1158 0.1416 0.7411 0.2153 0.6570 0.7499 0.6034 0.1204 0.7460 0.7177 0.4720 0.5496 0.4816 0.6112 0.5870 0.5548 0.5088 0.4538 0.6843 0.3272 0.2371 0.4980 0.3369 0.7499 0.6403 0.7499 0.7484 0.7329 0.7454 0.7030 0.7465 0.7385 0.7103 0.3608 0.7159 0.5966 0.5488 0.5976 0.7039 0.5496 0.5140 0.7304 0.5500 0.4719 0.4863 0.2437 0.2370 0.0441 0.4877 0.0742 0.4271 0.0179 0.0781 0.7403 0.7486 0.4342 0.7007 0.7497 0.7498 0.0547 0.6525 0.7257 0.6431 0.7493 0.4010 0.7400 0.5479 0.5753 0.4867 0.1796 0.2894 0.6073 0.1524 0.2416 0.7499 0.1180 0.0383 0.5002 0.8540 0.8505 0.8551 0.8571 0.8570 0.8571 0.8534 0.8534 0.7984 0.8518 0.8563 0.8477 0.8326 0.8571 0.7266 0.7887 0.8389 0.2948 0.6915 0.7744 0.7724 0.8314 0.2532 0.7824 0.3790 0.6024 0.4714 0.5552 0.8018 0.3104 0.5845 0.3912 0.8426 0.6955 0.4186 0.8555 0.4937 0.7729 0.8057 0.5313 0.8329 0.8571 0.5567 0.5243 0.6908 0.6220 0.7717 0.6933 0.8247 0.7769 0.8303 0.8073 0.5094 0.8571 0.3325 0.1866 0.2142 0.3350 0.5817 0.3775 0.3143 0.3264 0.2694 0.3167 0.7527 0.1714 0.8526 0.3707 0.3163 0.3863 0.2904 0.6926 0.4849 0.4767 0.8145 0.7677 0.8340 0.3685 0.1321 0.8545 0.5726 0.4503 0.6634 0.7282 0.5386 0.7388 0.5191 0.5213 0.6130 0.7968 0.8520 0.3281 0.4056 0.2351 0.6897 0.4328 0.7654 0.4961 0.4501 0.8450 0.1878 0.7935 0.6512 0.0369 0.5761 0.3059 0.4934 0.7828 0.2076 0.2481 0.8513 0.3543 0.7930 0.8571 0.7527 0.2149 0.8545 0.8357 0.6413 0.7093 0.6501 0.7587 0.7398 0.7136 0.6745 0.6243 0.8126 0.4931 0.3833 0.6649 0.5041 0.8571 0.7807 0.8571 0.8561 0.8458 0.8542 0.8256 0.8549 0.8496 0.8306 0.5303 0.8344 0.7473 0.7087 0.7481 0.8263 0.7093 0.6790 0.8442 0.7097 0.6412 0.6544 0.3919 0.3832 0.0845 0.6556 0.1382 0.5986 0.0352 0.1449 0.8508 0.8562 0.6055 0.8240 0.8569 0.8570 0.1038 0.7897 0.8410 0.7828 0.8567 0.5724 0.8505 0.7079 0.7304 0.6547 0.3045 0.4488 0.7557 0.2644 0.3892 0.8571 0.2111 0.0738 0.6668 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 6 6 6 6 6 7 1 1 6 6 6 6 6 6 6 35 8 6 6 6 6 6 6 6 6 8 6 6 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 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 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 8809.8561 37212.6653 43078.0544 0.99984 -0.01764 -0.00062 0.01762 0.99950 -0.02625 0.00109 0.02623 0.99966 1 0.00983 0.00233 0.00201 0.20485 0.04850 0.04189 13.77 19.40 23.80 34.02 39.16 54.68 58.08 65.59 79.09 79.36 95.20 111.22 126.03 132.71 149.50 162.83 166.12 228.31 261.37 273.59 287.39 302.99 343.17 368.46 380.20 396.48 404.24 410.25 426.49 458.13 470.76 492.11 515.71 546.52 584.55 602.54 611.54 653.43 659.26 682.49 750.64 796.45 824.89 861.31 903.50 914.91 928.21 942.00 974.57 978.34 1012.84 1034.54 1121.68 1123.71 1144.84 1170.06 1184.13 1214.27 1235.67 1269.87 1298.48 1299.81 1311.95 1318.30 1347.08 1375.15 1378.98 1382.17 1403.62 1413.19 1430.39 1439.47 1459.94 1502.82 1517.22 1533.76 1555.66 1559.89 1567.24 1580.96 1592.84 1598.83 1600.26 1609.62 1615.88 1624.06 1626.31 1649.21 1651.83 1684.29 1690.76 1710.95 1724.73 1731.13 1764.95 1782.95 1794.88 1828.15 1854.72 1868.94 1879.29 1883.34 1887.35 1894.33 1894.86 1914.32 1931.65 1944.48 1951.70 1993.15 2001.76 2012.88 2046.87 2061.17 2084.72 2108.48 2118.22 2123.35 2130.42 2170.00 2186.58 2223.78 2226.71 2233.75 2248.33 2256.65 2261.69 2270.24 2275.37 2276.61 2299.18 2337.08 2339.29 2341.36 2346.58 2350.44 2359.53 2362.92 2363.27 2373.27 2377.03 2393.36 2406.74 2407.07 2415.58 2441.91 2541.86 2557.72 2568.04 2568.85 2598.94 2618.14 2630.55 4558.30 4612.40 4613.92 4622.02 4626.46 4639.38 4639.53 4652.16 4673.29 4691.06 4705.97 4719.80 4727.44 4728.52 4735.24 4738.66 4739.54 4744.34 4759.33 4813.93 4822.16 4827.23 4831.74 4836.83 4852.65 4865.17 4866.25 4871.36 4880.42 4881.81 4898.55 5291.44 5385.40 0.587731 0.617825 0.618770 0.518703 -3814.931284 -3814.901190 -3814.900246 -3815.000313 3.356264D-04 MUNgauss RevisionA2.1 retrievium 24-May-2021 DUDE CCC[C@H](c1ccccc1)[NH2+]Cc2cc(c(c(c2)Br)OCc3ccc(cc3)C)OCC C10436353 RHF 6-31G(d) (6D,10F) C1 482.169466 |X|Y|Z| 139.923835 64.122328 31.669150 65.742436 23 6 7 8 21 1 1 |36.858105| |12.458192|36.858105| |7.506410|12.419429|36.858105| |4.846244|7.360107|12.417967|36.858105| |4.587492|6.949049|8.870592|17.612508|0.500000| |3.741909|4.834284|7.424846|12.578043|0.247942|36.858105| |3.143317|3.892121|5.217798|7.585854|0.205911|13.721399|36.858105| |2.635254|3.090335|3.957398|5.022701|0.133792|7.906074|13.735549|36.858105| |2.521316|2.881711|3.713192|4.431969|0.111144|6.842937|7.938806|13.767900|36.858105| |2.798805|3.205451|4.303918|5.007408|0.116466|7.906290|6.880220|7.942456|13.729284|36.858105| |3.432476|4.128177|6.098148|7.518507|0.155156|13.671701|7.943805|6.876791|7.935903|13.772841|36.858105| |4.221622|6.147305|7.634600|12.513998|0.254814|7.697279|5.453748|4.086611|3.795197|4.355323|6.130641|53.358707| |4.717889|7.197796|7.416482|9.119390|0.216105|5.698333|4.366375|3.403983|3.184820|3.603438|4.804252|25.704605|0.500000| |3.964517|5.338099|6.848886|9.143948|0.181633|7.264292|4.992532|3.975304|3.914396|4.762718|6.888634|25.693914|0.329887|0.500000| |3.244409|4.346726|4.912291|7.383135|0.198044|6.109110|5.196148|4.034162|3.637244|3.910904|4.928403|17.154285|0.257369|0.256638|36.858105| |2.862362|3.631054|3.855525|4.919581|0.130011|4.294034|3.746435|3.163443|2.994200|3.251837|3.887811|10.519019|0.202075|0.202316|12.666629|36.858105| |2.521859|3.059769|3.334275|4.078123|0.104247|3.889088|3.415395|3.039834|3.002024|3.309083|3.803495|7.872798|0.146409|0.175072|7.587736|13.628088|36.858105| |2.252027|2.641367|2.782467|3.209057|0.083385|3.053722|2.738173|2.501330|2.500137|2.733633|3.046815|5.781774|0.114839|0.127483|5.035884|7.905147|13.785927|36.858105| |2.225362|2.590758|2.616983|2.939723|0.078234|2.700268|2.443918|2.212701|2.178623|2.354071|2.634915|5.216778|0.109778|0.110051|4.441135|6.836791|7.882539|13.492634|36.858105| |2.448093|2.910936|2.850931|3.219748|0.087697|2.833836|2.564512|2.265804|2.182313|2.340472|2.670687|5.825537|0.128419|0.116369|5.053004|7.974359|6.893778|7.929534|13.820334|36.858105| |2.805656|3.501357|3.452655|4.099650|0.113121|3.462830|3.096543|2.644063|2.492992|2.671561|3.136092|7.972926|0.177877|0.148850|7.639524|13.841723|7.916504|6.832988|7.880501|13.686451|36.858105| |2.254019|2.589369|2.431439|2.627383|0.073236|2.306263|2.127850|1.898567|1.822069|1.929647|2.169633|4.410992|0.099515|0.086744|3.583504|4.623413|4.097868|4.589862|6.722047|10.103528|6.727592|2539.412838| |1.985631|2.247455|2.248837|2.455297|0.065579|2.285400|2.091956|1.927049|1.914240|2.058880|2.261156|4.155588|0.087775|0.088025|3.387072|4.621147|5.246254|8.015367|14.246129|8.041290|5.228775|212.356115|73.516695| |1.753101|1.968344|1.976407|2.167338|0.058702|2.053623|1.924048|1.796818|1.778492|1.879162|2.024025|3.553752|0.073875|0.074211|2.949362|3.827506|4.294641|5.981690|8.063098|5.829587|4.225190|176.773824|23.635180|36.858105| |1.600649|1.762400|1.755420|1.884263|0.051034|1.790065|1.681153|1.582563|1.575622|1.664084|1.778223|3.016043|0.063104|0.063137|2.421493|2.991122|3.277551|4.239167|5.246818|4.257517|3.278717|146.449242|14.192938|12.676572|36.858105| |1.462404|1.596030|1.604891|1.716956|0.046372|1.657172|1.566172|1.493607|1.499039|1.578233|1.663148|2.703159|0.055895|0.056957|2.153963|2.587941|2.881293|3.622907|4.074799|3.349736|2.733272|111.824062|9.769977|7.585877|13.786559|36.858105| |1.354919|1.460890|1.460754|1.543549|0.041759|1.489972|1.411450|1.350834|1.357956|1.427421|1.498362|2.394638|0.049711|0.050358|1.877706|2.202145|2.403097|2.904371|3.223743|2.779332|2.327332|96.389600|7.318371|5.024455|7.908671|13.707934|36.858105| |1.353506|1.450565|1.433392|1.500569|0.040729|1.434066|1.355652|1.290293|1.291970|1.359198|1.435201|2.320675|0.048690|0.048535|1.801835|2.100471|2.238924|2.661655|3.028778|2.705322|2.261346|98.757969|6.818212|4.420592|6.787245|7.893378|13.761445|36.858105| |1.463401|1.575021|1.540338|1.611385|0.043858|1.520093|1.430288|1.348126|1.341761|1.414868|1.509603|2.515223|0.053361|0.052306|1.954284|2.305964|2.417188|2.889683|3.444488|3.134574|2.550736|120.876571|7.962405|5.036878|7.917150|6.912797|7.990208|13.646443|36.858105| |1.599982|1.746359|1.710190|1.809436|0.049237|1.696757|1.590171|1.488308|1.475687|1.559441|1.676398|2.875832|0.061146|0.059723|2.268082|2.755436|2.898985|3.583940|4.533453|4.022168|3.109955|156.176739|11.420014|7.581084|13.673403|7.981195|6.902323|7.885816|13.823872|36.858105| |1.243125|1.318360|1.299993|1.349226|0.036671|1.293259|1.226759|1.172772|1.176175|1.234306|1.296878|2.058183|0.043166|0.042987|1.581443|1.806710|1.907824|2.207652|2.454149|2.245797|1.929850|82.236369|5.264057|3.273303|4.412556|5.004147|7.538674|12.611288|7.551767|5.017792|36.858105| |2.007478|2.293812|2.435238|2.744631|0.071073|2.701973|2.454539|2.311355|2.362697|2.581576|2.781768|4.672259|0.091941|0.104618|3.874171|5.203472|7.913924|14.301092|8.219085|5.321620|4.627183|125.973745|12.814968|5.995990|4.458464|4.048892|3.184097|2.814370|2.951551|3.589756|2.323443|73.516695| |1.945458|2.208335|2.409749|2.726648|0.069726|2.801755|2.556245|2.470387|2.593001|2.852134|2.982092|4.497880|0.085698|0.102846|3.659576|4.480720|6.672110|7.967708|5.226800|3.976940|3.772855|100.120496|8.358809|4.247638|3.457749|3.332744|2.741169|2.421824|2.474531|2.877307|2.060805|23.958030|36.858105| |1.712326|1.899955|2.048184|2.255557|0.058254|2.322755|2.152916|2.117535|2.238855|2.433241|2.484408|3.582413|0.069461|0.080595|2.835403|3.329924|4.394997|5.240362|4.094594|3.206621|2.974730|87.009942|7.263276|3.923874|3.432875|3.533684|2.942042|2.529104|2.496623|2.823024|2.166049|14.341062|12.583555|36.858105| |17.562704|8.784117|6.811198|4.529471|0.121618|3.680377|3.176366|2.688595|2.559843|2.801049|3.367565|5.096320|0.110925|0.097823|2.965143|2.584307|2.303873|2.056195|2.015749|2.195510|2.504681|68.921806|3.215512|1.617216|1.481043|1.363233|1.266713|1.262305|1.356231|1.475341|1.164444|3.293288|1.815654|1.608838|0.500000| |17.555690|8.769835|6.807282|4.465794|0.112031|3.597582|2.970181|2.542630|2.498384|2.837200|3.473052|5.518899|0.124532|0.111078|3.096424|2.798278|2.525091|2.275219|2.234237|2.416224|2.720205|75.220713|3.568202|1.760231|1.615338|1.480999|1.374786|1.372641|1.480117|1.613503|1.262182|3.641069|1.994588|1.762954|0.301428|0.500000| |17.584455|8.803838|5.474849|4.019420|0.109828|3.167144|2.745285|2.333469|2.224962|2.431012|2.907847|5.022969|0.116883|0.095765|2.966015|2.686332|2.359747|2.144044|2.160029|2.399794|2.713520|77.464680|3.459766|1.722824|1.584126|1.442528|1.342887|1.351285|1.468126|1.599739|1.244794|3.398755|1.832526|1.625069|0.301904|0.301888|0.500000| |8.856495|17.523689|8.839810|6.848266|0.212218|4.579025|3.928131|3.082241|2.785745|2.989287|3.739555|7.587671|0.176812|0.128563|4.292768|3.517773|2.910489|2.514626|2.491030|2.840485|3.453556|87.463374|3.843775|1.919330|1.715885|1.552142|1.421412|1.413061|1.536047|1.703187|1.285549|3.871941|2.088908|1.802571|0.211301|0.172923|0.213116|0.500000| |8.915903|17.477620|8.741999|6.574069|0.169878|4.393132|3.540276|2.856171|2.695482|3.017821|3.860138|9.150525|0.253488|0.162626|4.695225|4.104675|3.384530|2.940696|2.936220|3.368165|4.084728|101.530263|4.485078|2.168874|1.932712|1.730695|1.577702|1.571997|1.722374|1.924885|1.419954|4.460240|2.366982|2.021617|0.173625|0.211581|0.215500|0.303207|0.500000| |6.829490|8.803323|17.527694|8.810411|0.173810|6.679408|4.610341|3.717955|3.698121|4.540860|6.560732|9.517648|0.187775|0.203094|4.526340|3.758337|3.389987|2.857577|2.654218|2.824050|3.331717|81.295110|4.081460|1.998936|1.783754|1.637470|1.491812|1.461247|1.565200|1.733838|1.325682|4.504036|2.531736|2.155012|0.167833|0.202650|0.140040|0.173192|0.210031|0.500000| |6.978008|8.867197|17.572157|9.032732|0.211026|7.086464|5.403531|4.166934|3.870310|4.366013|5.863100|7.614485|0.147131|0.143303|4.081851|3.249295|2.880515|2.440930|2.295367|2.472394|2.932381|73.145853|3.560652|1.788352|1.601908|1.477487|1.352834|1.327041|1.417265|1.560871|1.211393|3.871273|2.182035|1.883025|0.207768|0.172183|0.141848|0.210580|0.172882|0.305119|0.500000| |3.122445|3.907966|4.903443|7.038740|0.229087|8.897370|17.702829|8.934515|5.652429|4.954679|5.640675|6.996723|0.118872|0.123934|5.152037|3.677815|3.239161|2.625687|2.395322|2.564031|3.128155|73.499384|3.646862|1.899730|1.659483|1.538909|1.388681|1.339227|1.418528|1.578065|1.212627|4.144057|2.380100|2.017066|0.087987|0.079926|0.076989|0.115226|0.098316|0.115270|0.141261|0.500000| |2.369705|2.734159|3.343735|4.101114|0.114678|5.636833|8.924403|17.733215|8.916117|5.646001|4.955239|4.692557|0.082164|0.092069|3.520110|2.834574|2.722891|2.284707|2.045029|2.097001|2.421833|60.720041|3.195981|1.698114|1.502255|1.423369|1.291497|1.233720|1.285595|1.414031|1.124972|3.779463|2.262111|1.967348|0.067587|0.063117|0.059205|0.077180|0.070481|0.086693|0.098288|0.216151|0.500000| |2.226011|2.486297|3.087403|3.545785|0.091014|4.937571|5.646206|8.920945|17.732728|8.910995|5.647328|4.279672|0.075270|0.090324|3.073051|2.624764|2.674803|2.283018|1.997628|1.982359|2.223254|56.996728|3.163144|1.670785|1.491695|1.431744|1.302611|1.236307|1.275778|1.394870|1.130310|3.908016|2.436215|2.149151|0.063009|0.061566|0.055242|0.067060|0.065084|0.086104|0.089553|0.124306|0.214814|0.500000| |2.589884|2.878295|3.728286|4.084440|0.096286|5.634499|4.956842|5.648068|8.905882|17.731000|8.936146|5.090339|0.088781|0.116350|3.374617|2.947750|3.086072|2.621381|2.252838|2.203885|2.458316|62.276023|3.553202|1.826136|1.631720|1.560311|1.416825|1.346116|1.393036|1.526900|1.226346|4.509236|2.853335|2.481900|0.071820|0.074344|0.062981|0.073865|0.076252|0.113101|0.104423|0.107572|0.124116|0.214775|0.500000| |3.688415|4.361663|6.437140|6.914453|0.139554|8.841909|5.632286|4.952018|5.656609|8.975196|17.685226|8.498714|0.141215|0.215865|4.689377|3.909827|3.884672|3.162589|2.738287|2.754895|3.191108|76.041154|4.192190|2.077505|1.834161|1.712155|1.544851|1.483599|1.563507|1.735330|1.340076|5.149420|3.089948|2.576801|0.098127|0.107698|0.085895|0.104796|0.115852|0.221935|0.161855|0.123637|0.107530|0.124494|0.217341|0.500000| |2.943333|3.801635|4.520885|6.895157|0.181127|6.966318|6.239740|4.882270|4.341331|4.565994|5.600916|12.388260|0.181519|0.220718|17.667416|8.805993|7.111576|4.709275|3.951305|4.204759|5.657155|104.758730|5.517131|2.775484|2.292293|2.077249|1.812453|1.722550|1.843051|2.120340|1.518104|6.782406|3.803671|2.928538|0.076633|0.078720|0.074163|0.104263|0.109101|0.117620|0.109281|0.164200|0.116063|0.100067|0.106471|0.138819|0.500000| |3.250017|4.395797|4.690376|6.863242|0.217829|5.435453|5.017386|3.839489|3.331636|3.444229|4.211336|12.414378|0.223230|0.181433|17.632758|8.827754|5.640794|4.196437|3.955930|4.714544|7.143359|121.853027|5.518906|2.767215|2.296175|2.037783|1.790282|1.731790|1.886242|2.179516|1.527511|5.893700|3.102353|2.491339|0.083145|0.083723|0.083890|0.128276|0.129884|0.114297|0.111032|0.150552|0.096051|0.079116|0.082626|0.109620|0.301058|0.500000| |2.461152|2.962710|3.360580|4.176492|0.104386|4.275274|3.750539|3.416172|3.456050|3.855746|4.346827|7.650473|0.133640|0.178300|7.049422|8.890778|17.745635|8.929689|5.614280|4.965206|5.646719|113.286563|7.517652|3.645806|2.895211|2.633935|2.226391|2.060397|2.183653|2.558799|1.778385|12.593121|7.429540|4.679321|0.063303|0.068817|0.063149|0.077913|0.088521|0.096026|0.081838|0.095686|0.083787|0.085152|0.099917|0.121398|0.215210|0.143858|0.500000| |2.980423|3.776566|3.560760|4.180043|0.120772|3.399546|3.080784|2.591194|2.399019|2.539373|2.990712|7.725949|0.182305|0.135484|7.016341|8.889506|5.619695|4.932645|5.637752|8.928730|17.729539|222.528297|7.525821|3.587126|2.909003|2.448940|2.129035|2.098910|2.374652|2.840664|1.815963|6.525196|3.118696|2.548104|0.073612|0.078431|0.081272|0.106941|0.123403|0.092529|0.084131|0.088798|0.066458|0.059370|0.064442|0.083749|0.143007|0.213254|0.123829|0.500000| |1.700230|1.911314|1.951168|2.160830|0.058286|2.086949|1.967214|1.857033|1.849004|1.947384|2.073311|3.523276|0.071769|0.074190|2.957707|3.800032|4.490384|6.336833|7.127218|5.054912|3.948783|143.050167|16.464037|17.620140|8.890451|7.305588|4.768670|3.963151|4.188518|5.588487|3.026384|12.631151|5.003172|4.690960|0.043844|0.047480|0.046056|0.051729|0.057898|0.054949|0.049284|0.053624|0.048812|0.048476|0.052741|0.058775|0.079239|0.076195|0.108945|0.092512|0.500000| |1.756363|1.983606|1.975357|2.181466|0.059947|2.051281|1.940905|1.801955|1.760785|1.841672|1.988719|3.563578|0.074402|0.072889|3.016764|3.896832|4.139897|5.362998|7.375315|6.207092|4.481929|202.216160|16.537495|17.571786|8.874091|5.895162|4.309028|3.970075|4.625011|6.762575|3.033626|8.808127|3.705485|3.354987|0.045069|0.048509|0.048161|0.054364|0.060656|0.054799|0.049726|0.053852|0.047574|0.045860|0.049270|0.056161|0.078226|0.080456|0.096884|0.107839|0.300533|0.500000| |1.443366|1.579934|1.606640|1.731818|0.046654|1.691625|1.604980|1.541852|1.554180|1.632554|1.706544|2.721061|0.055599|0.057604|2.184856|2.616269|2.981846|3.756103|3.998782|3.227635|2.691684|102.772668|9.098538|7.010076|8.925381|17.698539|8.927848|5.635943|4.971259|5.656628|4.088192|7.826501|3.701066|4.076850|0.037518|0.040613|0.039314|0.042664|0.047314|0.045590|0.041191|0.043629|0.040852|0.041385|0.044951|0.048610|0.059314|0.057034|0.076940|0.066477|0.224145|0.151966|0.500000| |1.274499|1.368178|1.375204|1.451029|0.039222|1.412511|1.343586|1.295282|1.307406|1.370681|1.427272|2.230216|0.046018|0.046999|1.742963|2.015732|2.207910|2.622912|2.819256|2.447920|2.097719|83.543539|6.144660|4.102360|5.643519|8.929044|17.709673|8.928522|5.661478|4.966704|6.973948|5.180247|2.593069|2.856848|0.033252|0.035967|0.035017|0.036978|0.040777|0.039067|0.035565|0.036644|0.034492|0.035024|0.037956|0.040800|0.047152|0.046147|0.057718|0.053530|0.113674|0.099798|0.216637|0.500000| |1.447404|1.546893|1.498841|1.554591|0.042441|1.458182|1.372045|1.290206|1.281098|1.350138|1.443762|2.409880|0.051477|0.049880|1.854496|2.161027|2.225259|2.600727|3.089408|2.914196|2.408387|116.653552|6.840012|4.108399|5.640967|4.971141|5.666993|8.896264|17.697913|8.965049|7.018892|4.637900|2.219190|2.219389|0.037239|0.040634|0.040601|0.041977|0.047014|0.042230|0.038373|0.037913|0.034212|0.033821|0.036892|0.041576|0.048376|0.050084|0.055970|0.063330|0.096316|0.108981|0.107808|0.124257|0.500000| |1.710018|1.874802|1.813788|1.916075|0.052366|1.771434|1.654014|1.533199|1.510322|1.597799|1.734467|3.067673|0.066107|0.063147|2.417377|2.959717|3.024135|3.690135|4.905988|4.617946|3.466810|200.420631|11.963259|7.041207|8.910931|5.667901|4.967617|5.624036|8.944353|17.722407|4.095182|6.252828|2.801229|2.665219|0.043541|0.047710|0.047757|0.050915|0.057931|0.050835|0.045732|0.045818|0.040389|0.039435|0.043201|0.049919|0.061804|0.065025|0.072920|0.088860|0.141011|0.192363|0.124290|0.107764|0.216467|0.500000| |1.204831|1.276597|1.253459|1.300840|0.035546|1.244326|1.185547|1.132394|1.130546|1.181054|1.240962|1.975151|0.041491|0.040988|1.521106|1.727116|1.802567|2.061855|2.300946|2.146089|1.855963|80.117338|4.851629|3.032197|3.960248|4.296093|5.882922|8.846596|6.709070|4.598907|17.547531|3.801486|1.902552|1.975752|0.031404|0.033843|0.033624|0.034748|0.038124|0.035336|0.032520|0.032695|0.030269|0.030187|0.032496|0.035489|0.040518|0.041119|0.046644|0.048975|0.077574|0.080460|0.099563|0.152069|0.190518|0.108333|0.500000| |1.256084|1.324290|1.301399|1.340394|0.036332|1.281014|1.209793|1.154904|1.160753|1.223119|1.288086|2.041632|0.042989|0.042748|1.552455|1.767120|1.859680|2.140753|2.376814|2.188257|1.888080|80.392990|5.063798|3.027805|3.958384|4.291381|5.869332|8.845708|6.727967|4.602405|17.548268|3.988241|1.997212|2.093040|0.032628|0.035558|0.035012|0.035745|0.039683|0.036990|0.033672|0.033166|0.030705|0.030959|0.033826|0.037143|0.041278|0.041596|0.048194|0.049495|0.077430|0.077683|0.099463|0.151589|0.191603|0.108495|0.302296|0.500000| |1.185522|1.255588|1.245871|1.294605|0.035139|1.250224|1.189467|1.143702|1.150958|1.205688|1.258874|1.965235|0.040963|0.041154|1.510475|1.714861|1.824523|2.101196|2.287649|2.079585|1.808218|74.383471|4.838229|3.021616|3.948091|4.736476|7.229889|8.836435|5.565429|4.168032|17.585217|3.986484|2.021543|2.161820|0.030961|0.033471|0.032868|0.033996|0.037379|0.035341|0.032361|0.032588|0.030526|0.030846|0.033385|0.036075|0.040573|0.040439|0.047706|0.047176|0.079962|0.077445|0.112977|0.221504|0.140574|0.095940|0.301810|0.301764|0.500000| |2.103046|2.389317|2.654052|2.986533|0.074578|3.096659|2.749187|2.649728|2.836989|3.226504|3.405397|4.955777|0.093285|0.118023|3.860104|4.583683|6.759195|7.101265|4.783165|3.815670|3.751013|96.238198|7.482074|3.649982|3.058332|2.920852|2.471194|2.231824|2.296688|2.638570|1.926363|16.530316|17.544955|8.842760|0.054369|0.060500|0.054471|0.061862|0.071091|0.078995|0.066325|0.069847|0.066247|0.073340|0.090830|0.100450|0.111806|0.088849|0.224784|0.086730|0.112951|0.090107|0.087596|0.065038|0.058056|0.072395|0.049507|0.052471|0.052354|0.500000| |1.910528|2.185722|2.407600|2.788660|0.072022|2.927230|2.731200|2.668619|2.783214|2.993688|3.078039|4.542500|0.084804|0.101839|3.848252|4.580722|6.757166|7.067457|4.752219|3.801778|3.744946|95.913611|7.385445|3.932521|3.170402|3.059652|2.532634|2.244190|2.291672|2.654744|1.924098|16.513581|17.551084|8.838715|0.049909|0.053872|0.049869|0.058068|0.064359|0.069259|0.061024|0.070664|0.068266|0.072846|0.082106|0.086027|0.115592|0.090799|0.227569|0.086726|0.130023|0.099347|0.094814|0.066952|0.057404|0.072227|0.049871|0.051478|0.052558|0.300306|0.500000| |1.653625|1.823405|1.986819|2.181807|0.056199|2.293076|2.140572|2.143876|2.303914|2.499460|2.491479|3.388742|0.065061|0.076370|2.650519|2.994763|3.837406|4.241831|3.387336|2.776313|2.649370|76.744076|5.915719|3.219523|2.881606|2.987228|2.570431|2.238066|2.196256|2.435517|1.958567|10.241133|8.894066|17.565551|0.043485|0.047375|0.043405|0.048043|0.053287|0.058241|0.051248|0.055265|0.055424|0.062231|0.071932|0.071418|0.077418|0.064930|0.117941|0.064140|0.104089|0.078883|0.094551|0.070458|0.054931|0.064282|0.049941|0.052769|0.054693|0.212757|0.212232|0.500000| |1.604208|1.778015|1.896537|2.092676|0.054824|2.142574|2.017013|1.985155|2.070258|2.207779|2.249382|3.301583|0.064444|0.072739|2.659289|3.132242|4.018899|4.881503|4.009817|3.140200|2.866051|86.970417|7.356470|4.262348|3.742881|3.992292|3.248406|2.711647|2.634822|2.982048|2.299499|12.905542|8.867452|17.586481|0.041971|0.045559|0.042569|0.047314|0.052499|0.054780|0.048650|0.053119|0.051829|0.055460|0.061950|0.064011|0.076043|0.066080|0.115276|0.068639|0.149260|0.100535|0.134845|0.088388|0.064228|0.076810|0.058223|0.060802|0.064205|0.173366|0.212400|0.300740|0.500000| 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