Version2.2 2021-02-11T18:13:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 17-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN1CCCc2c1ccc(c2)[C@@H](CNC(=O)c3cc(ccc3Cl)Cl)[NH+]4CCCC4 C38670419 RHF 6-31G(d) (6D,7F) CN1CCCc2c1ccc(c2)[C@@H](CNC(=O)c3cc(ccc3Cl)Cl)[NH+]4CCCC4 C01[X(C23H28Cl2N3O1)] 165 C1 499 Clc1ccc(c(c1)C(=O)NC[C@@H]([NH+]1CCCC1)c1ccc2c(c1)CCCN2C)Cl Clc1ccc(c(c1)C(=O)NC[C@@H]([NH+]1CCCC1)c1ccc2c(c1)CCCN2C)Cl CN1CCCc2cc(ccc12)[C@@H](CNC(=O)c3cc(Cl)ccc3Cl)[NH+]4CCCC4 InChIKey=FARFEODTAYMORH-JOCHJYFZSA-O InChI=1S/C23H27Cl2N3O/c1-27-10-4-5-16-13-17(6-9-21(16)27)22(28-11-2-3-12-28)15-26-23(29)19-14-18(24)7-8-20(19)25/h6-9,13-14,22H,2-5,10-12,15H2,1H3,(H,26,29)/p+1/t22-/m1/s1 InChI=1/C23H27Cl2N3O/c1-27-10-4-5-16-13-17(6-9-21(16)27)22(28-11-2-3-12-28)15-26-23(29)19-14-18(24)7-8-20(19)25/h6-9,13-14,22H,2-5,10-12,15H2,1H3,(H,26,29)/p+1/t22-/m1/s1/fC23H28Cl2N3O/h26,28H/q+1 CN1CCCc2c1ccc(c2)[C@@H](CNC(=O)c3cc(ccc3Cl)Cl)[NH+]4CCCC4 C01[X(C23H28Cl2N3O1)] 165 C01 499 Clc1ccc(c(c1)C(=O)NC[C@@H]([NH+]1CCCC1)c1ccc2c(c1)CCCN2C)Cl Cl[C]1[CH][CH][C]([C]([CH]1)C(=O)NC[C@H]([C]1[CH][CH][C]2[C]([CH]1)CCCN2C)[NH]1CCCC1)Cl CN1CCC[C]2[CH][C]([CH][CH][C]12)[C@@H](CNC(=O)[C]3[CH][C](Cl)[CH][CH][C]3Cl)[NH]4CCCC4 InChIKey=SAUOIMGYWCLWIF-JOCHJYFZSA-N InChI=1S/C23H28Cl2N3O/c1-27-10-4-5-16-13-17(6-9-21(16)27)22(28-11-2-3-12-28)15-26-23(29)19-14-18(24)7-8-20(19)25/h6-9,13-14,22,28H,2-5,10-12,15H2,1H3,(H,26,29)/t22-/m1/s1 InChI=1/C23H28Cl2N3O/c1-27-10-4-5-16-13-17(6-9-21(16)27)22(28-11-2-3-12-28)15-26-23(29)19-14-18(24)7-8-20(19)25/h6-9,13-14,22,28H,2-5,10-12,15H2,1H3,(H,26,29)/t22-/m1/s1/f/h26H 3084.5251096915 -2044.2746308 1-A 16967.8712 114 385 499 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.92825 -104.90393 -20.64055 -15.82320 -15.70324 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-0.37626 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.00425 0.02514 0.03392 0.03668 0.04734 0.09467 0.10027 0.12060 0.12383 0.13331 0.13670 0.14050 0.14376 0.15016 0.15441 0.16172 0.16772 0.17355 0.18505 0.18591 0.18996 0.19306 0.20706 0.20857 0.21021 0.21476 0.22271 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2.29896 2.31235 2.33172 2.33749 2.34064 2.35295 2.35720 2.36351 2.36568 2.37907 2.38743 2.40954 2.41174 2.43285 2.43759 2.44440 2.46348 2.47889 2.49818 2.51345 2.51554 2.51809 2.52722 2.53568 2.54589 2.55383 2.55872 2.56617 2.56929 2.58822 2.61906 2.62548 2.64802 2.66090 2.67957 2.68482 2.70321 2.71353 2.71711 2.73387 2.76102 2.78281 2.79152 2.80868 2.81032 2.81302 2.82495 2.85505 2.85843 2.87631 2.88312 2.88840 2.89526 2.89923 2.91861 2.93728 2.95618 2.96756 2.98031 2.98857 3.02227 3.03201 3.03335 3.04957 3.06584 3.07055 3.10356 3.12702 3.14588 3.18587 3.21385 3.26197 3.27736 3.29638 3.41430 3.46916 3.54170 3.68181 3.73532 4.27821 4.34970 4.39605 4.40049 4.41232 4.42098 4.45651 4.46667 4.47883 4.50795 4.54220 4.55470 4.56493 4.58459 4.62781 4.65167 4.66215 4.69664 4.70563 4.71916 4.78062 4.79136 4.80679 4.84369 4.84620 4.88124 4.93816 5.04846 5.12634 10.35412 -7.7463 -7.0086 1.8878 10.6155 |XX|YY|ZZ|XY|XZ|YZ| -141.7198 -113.6591 -171.4598 13.8473 -0.1303 -3.9284 |XX|YY|ZZ|XY|XZ|YZ| 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1624.4899 1628.9026 1637.8550 1638.2141 1639.5733 1641.6932 1644.1508 1644.5539 1656.6109 1663.7496 1670.8682 1672.7976 1693.7207 1706.4801 1755.8442 1757.6165 1791.2244 1804.8736 1907.7778 3164.4203 3189.2148 3198.5893 3221.9641 3234.6381 3247.7154 3247.9594 3262.7390 3271.1619 3279.2895 3280.3163 3289.1593 3297.1807 3306.9034 3312.1081 3321.5050 3322.7950 3323.9325 3339.2843 3342.9745 3357.0595 3381.9510 3403.9295 3418.1087 3425.3889 3429.5966 3735.3898 3912.9189 8.2869 8.0140 3.9125 3.1742 5.2202 3.2371 4.2415 2.7007 3.6127 5.4833 9.7559 3.7205 4.7993 6.1278 2.1775 5.9934 1.9024 7.6842 2.7679 5.4032 1.9771 3.5448 2.1127 3.0579 4.6655 2.8096 12.6795 4.1833 4.8798 3.5571 1.9906 3.0700 3.6902 2.4219 2.4477 2.9498 3.7830 3.3977 4.0970 4.9659 4.5155 2.0451 2.7331 4.5395 3.2114 3.1144 5.7357 3.6079 4.3596 4.1773 3.5907 6.1221 5.4610 1.9365 1.8410 2.2222 2.1829 2.6816 1.3552 1.8828 2.1568 2.7039 2.5377 2.1817 2.5658 2.1554 1.5378 1.4877 1.8172 1.3571 2.3433 2.3034 1.5680 2.4967 2.0013 2.3262 3.8925 3.4572 2.5500 1.9152 1.8672 2.9370 1.9298 3.2986 1.4872 1.8168 1.9784 1.7220 2.3215 1.7814 1.4320 1.5505 1.4116 1.7788 1.5587 1.2811 1.7356 1.8265 1.2381 1.3962 1.3572 1.7922 1.4691 1.2622 1.4173 2.0723 1.4247 1.3589 1.3857 1.2583 1.4690 1.5113 2.6981 1.2625 1.3412 1.5632 1.3411 2.1227 1.2727 1.1087 1.1214 1.1121 1.1278 2.2194 1.1014 1.0659 1.0903 1.1734 1.1119 1.1040 2.0252 1.9734 6.6962 5.8940 5.8210 5.0474 9.2372 1.0736 1.0491 1.0685 1.0658 1.0711 1.0928 1.0673 1.0944 1.1043 1.0938 1.0633 1.0641 1.0800 1.0926 1.0958 1.0904 1.0891 1.0985 1.1025 1.0928 1.1130 1.1055 1.0914 1.0973 1.0920 1.0934 1.0783 1.0804 0.0006 0.0010 0.0013 0.0016 0.0054 0.0043 0.0121 0.0096 0.0150 0.0303 0.0692 0.0288 0.0520 0.0818 0.0335 0.1561 0.0559 0.2508 0.0971 0.2319 0.0885 0.1798 0.1319 0.1992 0.3236 0.2053 0.9406 0.3770 0.4728 0.3521 0.2432 0.3822 0.4904 0.3487 0.3627 0.4559 0.6262 0.5878 0.7191 1.0365 0.9690 0.4608 0.6827 1.1547 0.8656 0.9164 1.7982 1.1938 1.5589 1.5110 1.4086 2.5381 2.4698 0.8955 0.9129 1.1225 1.1309 1.4004 0.7184 1.0086 1.1703 1.4827 1.4688 1.2880 1.5338 1.3476 0.9772 0.9569 1.2055 0.9205 1.6542 1.6460 1.1329 1.8140 1.5270 1.7967 3.0305 2.7791 2.1433 1.6388 1.6111 2.5636 1.7123 2.9731 1.3549 1.6902 1.8467 1.6660 2.3156 1.7892 1.4577 1.5927 1.4748 1.8870 1.6832 1.4357 1.9611 2.0827 1.4242 1.6412 1.6033 2.1545 1.8233 1.6037 1.8099 2.6864 1.8819 1.8133 1.8681 1.7123 2.0151 2.1143 3.7799 1.7884 1.9324 2.2663 1.9824 3.2377 1.9788 1.7332 1.7724 1.7584 1.7863 3.5243 1.7541 1.6985 1.7630 1.9138 1.8289 1.8202 3.4230 3.3858 12.1632 10.7278 11.0039 9.6875 19.8083 6.3341 6.2868 6.4408 6.5187 6.6030 6.7910 6.6338 6.8641 6.9622 6.9304 6.7415 6.7827 6.9178 7.0397 7.0823 7.0877 7.0849 7.1509 7.2432 7.1956 7.3904 7.4498 7.4504 7.5534 7.5491 7.5770 8.8645 9.7465 0.5117 0.4975 0.4976 0.0964 3.8276 1.7375 1.5656 0.4912 4.5490 4.9108 1.5483 5.6746 2.2936 4.6751 8.3144 1.9154 2.4302 2.9193 0.8301 1.3033 6.0576 5.0927 5.7901 0.4611 3.9406 0.6649 0.4139 0.0489 4.8603 16.3428 53.6118 20.3150 14.9269 44.4959 16.9020 0.2599 10.0149 5.6244 19.8250 14.9888 6.3653 0.3350 6.8905 15.7966 1.5827 5.4174 4.5792 0.9942 0.8456 1.9038 7.3549 21.1931 12.9749 21.4585 11.5858 41.9242 2.0214 6.5459 32.9961 0.8350 4.7983 4.3354 2.6969 23.0848 10.5517 69.3498 2.2943 9.9523 46.3237 7.0431 9.1133 9.5862 1.5268 6.3745 24.0411 5.8175 48.3077 4.5344 21.2398 21.7009 6.2255 62.7947 4.7745 14.3050 22.0746 10.6844 12.0048 27.8663 4.2409 8.9626 82.5922 33.3644 15.3370 52.9949 19.5840 6.9732 48.7041 15.4005 13.5576 5.0280 12.0593 279.8984 36.2881 1.9450 3.8293 231.3181 8.0683 0.4747 37.6130 22.9537 19.3079 72.1762 27.8678 9.6941 29.3006 20.8177 81.5801 13.3905 8.0845 2.6577 1.2474 9.8704 7.6149 99.9956 14.4911 9.1332 2.2238 66.9781 7.4097 10.0312 266.8322 333.2731 6.5254 9.2167 18.9972 143.9112 295.8373 54.3857 67.1460 25.5901 19.9345 19.6430 25.5458 24.3268 36.3215 45.5276 40.6872 12.1782 6.8894 4.1466 3.3163 17.4297 43.1189 3.3712 21.1223 5.2586 21.6435 6.5233 1.9644 0.1232 0.1218 7.6699 1.8098 33.5571 63.4529 2.0888 1.1331 1.2378 2.6671 1.7820 0.8711 0.7954 0.7103 1.5791 2.1264 0.2152 2.3247 0.5683 1.5838 0.9792 0.8867 1.2917 2.5024 3.8111 2.2677 0.7869 3.0242 0.1674 2.1197 2.0270 1.3559 8.2979 4.6343 2.5195 0.2711 2.2461 1.7179 1.4998 1.2093 0.2692 1.0950 2.5708 5.1552 1.3066 1.8233 1.5441 1.2653 1.7724 0.8737 0.4713 3.0951 3.8947 10.9130 1.0977 9.5873 0.5343 21.0425 1.2227 2.9990 7.8865 1.2270 6.9671 1.7924 0.9310 3.2573 2.1393 1.1886 7.2072 3.0021 11.1203 3.3458 1.2334 1.0192 6.9170 2.4128 5.5928 1.4993 1.6323 4.5324 15.3630 9.2626 7.5378 3.7948 3.3684 1.5196 4.8233 4.8382 1.7032 11.0101 5.6170 3.6797 1.3479 3.6192 6.3033 5.0414 41.8008 11.9287 9.5950 29.8016 8.2372 4.3426 11.7054 5.4576 15.0340 8.9841 9.4255 5.9394 10.6423 2.4148 3.0242 58.4639 7.9460 1.5346 13.2862 5.2299 2.3025 4.3254 6.3779 2.0858 1.1784 13.3021 7.6467 4.7240 12.6157 16.5396 12.9869 14.3340 5.4300 0.7882 13.7616 24.8615 3.3306 8.3018 9.8848 4.0187 23.6324 2.6123 10.0632 7.6195 51.1593 215.8478 20.1643 69.9996 101.4430 115.4228 74.8075 114.2144 56.2258 66.5755 57.6566 127.6543 100.3793 38.5393 73.7627 40.5794 169.7301 84.6499 67.6540 10.3459 144.7391 45.7103 60.2642 46.7711 38.2946 45.8939 137.4399 87.9893 46.8646 17.6817 22.8712 0.7430 0.7437 0.7482 0.7498 0.7475 0.7431 0.7483 0.7319 0.5450 0.7317 0.6549 0.5537 0.3727 0.6702 0.5772 0.7447 0.6928 0.1938 0.5098 0.5329 0.7459 0.3489 0.4218 0.7297 0.4260 0.6123 0.2872 0.2578 0.2559 0.6928 0.4750 0.7500 0.7346 0.7472 0.2211 0.5324 0.1852 0.1314 0.7121 0.2578 0.5488 0.7000 0.2584 0.2190 0.6888 0.3523 0.5809 0.0659 0.1976 0.3197 0.2237 0.0858 0.7150 0.2597 0.1755 0.1903 0.1961 0.7391 0.7495 0.1545 0.7330 0.6137 0.1212 0.5586 0.0415 0.6035 0.7448 0.7455 0.3058 0.4537 0.6682 0.2116 0.3820 0.3040 0.3820 0.5891 0.1034 0.5922 0.7490 0.6060 0.2034 0.4718 0.5547 0.2872 0.6587 0.3173 0.7346 0.4097 0.3854 0.1209 0.3134 0.2889 0.4801 0.1961 0.7428 0.7048 0.0690 0.4907 0.6376 0.4267 0.1954 0.7372 0.5140 0.7227 0.4830 0.3655 0.3932 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15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 34.96885 14.00307 1.00783 12.00000 12.00000 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 9749.5759 22466.1119 29604.3165 0.99992 -0.01297 0.00120 0.01297 0.99992 -0.00040 -0.00119 0.00042 1.00000 1 0.00888 0.00386 0.00293 0.18511 0.08033 0.06096 15.71 20.72 33.68 41.50 60.17 68.37 100.10 112.00 120.89 139.35 157.88 165.02 195.03 216.61 232.36 302.53 321.37 338.62 350.99 388.33 396.52 422.10 468.35 478.47 493.65 506.68 510.52 562.73 583.48 589.75 655.14 661.33 683.28 711.26 721.51 736.88 762.61 779.65 785.29 856.36 868.30 889.75 936.78 945.36 973.17 1016.78 1049.52 1078.20 1120.86 1127.33 1174.01 1206.91 1260.56 1274.63 1319.97 1332.22 1349.16 1354.55 1364.69 1371.87 1380.73 1388.03 1426.02 1440.24 1449.24 1482.14 1494.21 1503.32 1526.66 1543.77 1574.85 1584.54 1593.30 1597.73 1637.34 1647.33 1653.92 1680.58 1718.48 1733.92 1741.10 1751.22 1765.64 1779.54 1789.08 1807.93 1810.99 1843.71 1872.04 1878.52 1891.16 1899.76 1915.89 1930.62 1947.86 1984.32 1992.44 2001.55 2010.42 2032.19 2037.28 2055.18 2088.24 2112.87 2118.18 2134.15 2154.31 2165.25 2176.34 2186.53 2195.33 2217.03 2218.61 2230.95 2249.91 2256.91 2278.96 2314.98 2337.28 2343.63 2356.51 2357.02 2358.98 2362.03 2365.57 2366.15 2383.49 2393.76 2404.01 2406.78 2436.89 2455.24 2526.27 2528.82 2577.17 2596.81 2744.87 4552.90 4588.57 4602.06 4635.69 4653.92 4672.74 4673.09 4694.35 4706.47 4718.17 4719.64 4732.37 4743.91 4757.90 4765.38 4778.90 4780.76 4782.40 4804.49 4809.79 4830.06 4865.87 4897.50 4917.90 4928.37 4934.42 5374.39 5629.82 0.518578 0.544130 0.545074 0.458162 -2043.756053 -2043.730501 -2043.729556 -2043.816468 2.915043D-04 MUNgauss RevisionA2.1 retrievium 11-Feb-2021 DUDE CN1CCCc2c1ccc(c2)[C@@H](CNC(=O)c3cc(ccc3Cl)Cl)[NH+]4CCCC4 C38670419 RHF 6-31G(d) (6D,10F) C1 432.160943 |X|Y|Z| 106.011809 69.390007 30.237736 60.589888 25 6 7 22 3 |36.858105| |13.152736|53.358707| |7.710955|17.812553|36.858105| |5.059801|10.584961|12.534910|36.858105| |4.399932|8.948062|7.655526|12.503360|36.858105| |5.091852|10.690730|6.719238|7.608393|12.573030|36.858105| |7.799740|18.869431|7.788949|6.719632|7.487988|13.495410|36.858105| |6.725878|10.712840|5.096044|4.506154|4.995909|7.901811|13.564000|36.858105| |4.526574|7.042365|3.914718|3.757158|4.436359|6.853504|7.853137|13.823689|36.858105| |3.749337|6.167249|3.740724|3.875450|4.997951|7.820200|6.729947|7.897511|13.716178|36.858105| |3.928766|7.059967|4.520525|5.058544|7.593419|13.795058|7.904518|6.946572|8.028411|13.697680|36.858105| |2.904366|4.538488|2.903908|3.044343|3.794523|5.002081|4.389958|5.003932|7.503727|12.623806|7.565285|36.858105| |2.658710|4.211301|2.798583|3.030375|3.863231|4.791339|3.962324|4.187377|5.577485|8.912967|7.340011|17.661185|0.500000| |2.660557|3.992245|2.580351|2.615602|3.165428|3.976926|3.695062|4.290772|6.040900|7.467048|5.272667|12.340436|0.247556|36.858105| |2.548235|3.857556|2.577247|2.624306|3.236653|3.894132|3.497986|3.809531|4.853222|6.028488|5.034849|7.777745|0.207367|13.223942|53.358707| |2.223101|3.376604|2.324877|2.424777|2.982837|3.392232|2.974603|3.109894|3.772565|4.705799|4.305978|6.118447|0.193083|7.900109|19.198743|36.858105| |2.069753|3.138899|2.162714|2.285971|2.778060|3.131287|2.746726|2.876087|3.501489|4.388709|3.991373|6.123719|0.208151|7.104389|11.671989|15.791602|73.516695| |2.059170|3.109001|2.199837|2.289280|2.784460|3.014408|2.654355|2.692738|3.089357|3.670782|3.594929|4.239236|0.130748|5.025088|10.535998|12.653706|14.359367|36.858105| |1.791447|2.667295|1.898891|1.976295|2.339561|2.487926|2.230583|2.268671|2.568898|2.967465|2.894394|3.442014|0.105409|4.005762|7.249460|7.816332|12.120665|13.680839|36.858105| |1.655287|2.447327|1.767617|1.833503|2.136157|2.217864|2.005996|2.015260|2.223280|2.509152|2.498316|2.791781|0.084130|3.150794|5.428156|5.104346|8.156562|7.908457|13.818578|36.858105| |1.704719|2.524298|1.847186|1.908890|2.222188|2.267909|2.049091|2.027760|2.194308|2.455627|2.500622|2.631184|0.078551|2.917979|5.048811|4.439055|6.828296|6.822820|7.946018|13.772775|36.858105| |1.928124|2.886237|2.119717|2.186622|2.593448|2.644024|2.360450|2.310012|2.488509|2.808227|2.910621|2.936504|0.087477|3.242101|5.837352|4.958500|7.163410|7.896947|6.902405|7.982201|13.790698|36.858105| |2.155750|3.270768|2.359533|2.442421|2.985718|3.144204|2.755742|2.720620|3.009987|3.506715|3.602147|3.729439|0.112298|4.207958|8.354777|7.339857|9.427600|13.691108|7.968899|6.906053|7.941879|13.763997|36.858105| |2.637157|4.105813|2.979242|3.057103|3.888594|4.112557|3.515342|3.355278|3.614261|4.222653|4.593247|4.070946|0.118942|4.349536|8.263135|5.854570|7.839336|6.908022|4.728644|4.230402|4.793312|7.128617|10.902519|448.794386| |1.442702|2.109750|1.525507|1.580281|1.802629|1.860739|1.706843|1.721697|1.885296|2.090515|2.068240|2.324988|0.069373|2.583611|4.160231|3.722301|6.435883|4.762681|7.065118|10.988801|7.047190|4.780622|4.240854|24.522230|448.794386| |2.659124|4.041774|2.578958|2.702349|3.190051|4.027411|3.740602|4.336811|6.104568|7.629512|5.365511|12.461005|0.255546|7.546503|6.911417|4.449778|8.622530|3.312141|2.880542|2.392953|2.232648|2.413769|2.919346|24.656453|16.673391|53.358707| |2.789478|4.136891|2.578792|2.632749|3.029569|3.873202|3.811861|4.684920|6.785630|7.146855|4.877348|9.245606|0.183004|6.969756|6.312008|3.917360|7.287569|3.009222|2.634617|2.221658|2.089932|2.259461|2.701019|23.075596|15.596142|25.789475|0.500000| |2.663121|4.124663|2.662800|2.882157|3.355624|4.123046|3.752248|4.108487|5.215702|6.374518|5.286393|7.454554|0.194931|4.875280|5.228371|3.562100|6.904190|2.828136|2.502405|2.134963|2.017734|2.175883|2.569888|22.003241|15.083753|16.971609|0.257185|36.858105| |2.199364|3.341874|2.228811|2.422598|2.764626|3.182179|2.902710|3.091395|3.709937|4.354754|3.886385|5.295655|0.152914|4.007718|4.508466|3.258860|6.629634|2.638058|2.420573|2.074365|1.930726|2.035170|2.359036|19.398248|14.995059|10.651922|0.172570|12.471165|36.858105| |2.041527|3.026873|2.008028|2.125633|2.405196|2.780213|2.608943|2.862900|3.492673|3.940874|3.359531|5.087179|0.139609|4.273541|4.641188|3.347278|6.948167|2.669760|2.494009|2.118070|1.939548|2.017502|2.334734|18.708120|15.484682|10.792949|0.186256|7.929630|12.482874|36.858105| |2.199433|3.274520|2.150846|2.253412|2.611392|3.104551|2.894042|3.248037|4.190218|4.910191|3.913229|7.422548|0.193022|6.374745|6.271398|4.397538|9.307798|3.276102|2.984532|2.455507|2.227633|2.338980|2.783657|22.173289|17.513289|17.085253|0.256943|7.796305|8.013326|12.527177|36.858105| |17.642561|12.549083|7.611683|4.883501|3.987904|4.246060|5.731023|4.896268|3.616561|3.136083|3.337483|2.516816|0.065161|2.322560|3.065604|2.001993|3.330855|1.881574|1.654426|1.544637|1.598097|1.798127|1.980047|19.228871|10.888141|3.171160|0.067282|2.359124|1.992055|1.848544|1.967364|0.500000| |17.582107|12.353124|5.757949|4.327064|3.867137|4.597724|6.869758|6.882777|4.660890|3.723337|3.739364|2.914785|0.073181|2.652132|3.367890|2.156526|3.612766|1.971844|1.728573|1.589659|1.620032|1.812793|2.029522|19.467160|11.206670|3.747341|0.081725|2.779040|2.282056|2.123344|2.266108|0.303523|0.500000| |17.504421|12.234704|6.219214|4.310816|4.004811|4.689942|6.853736|6.565654|4.549043|3.706475|3.776721|2.904454|0.073268|2.749713|3.623003|2.291418|3.741800|2.135155|1.850066|1.712205|1.771171|2.013410|2.251634|22.292052|11.928847|3.560528|0.076624|2.541967|2.111883|1.994756|2.181439|0.301469|0.299924|0.500000| |7.384576|12.579694|17.611360|8.885504|5.552044|4.968245|5.772476|4.253563|3.340334|3.153162|3.655046|2.531474|0.067831|2.274398|3.071547|2.056004|3.433390|1.955758|1.714166|1.607792|1.677013|1.900385|2.084550|20.535838|11.277332|3.142022|0.064550|2.402502|2.045315|1.850833|1.955167|0.244171|0.158184|0.159534|0.500000| |6.616404|12.301136|17.468162|8.846420|6.898195|5.967803|6.543690|4.616062|3.667306|3.539666|4.237669|2.798906|0.075287|2.557323|3.566368|2.363763|3.851076|2.279733|1.958447|1.837945|1.946641|2.260312|2.498506|25.940304|12.648230|3.321905|0.067602|2.460654|2.084358|1.904564|2.062651|0.183533|0.136248|0.170070|0.302432|0.500000| |4.830352|9.590224|8.915772|17.548077|8.839271|6.706785|6.205834|4.383917|3.685374|3.771069|4.772757|2.992622|0.082521|2.526246|3.369216|2.297026|3.918538|2.140036|1.868139|1.726774|1.776377|2.005308|2.237332|21.781640|12.076008|3.738338|0.074525|3.028028|2.541038|2.194436|2.282393|0.130141|0.121778|0.110681|0.216486|0.173969|0.500000| |4.161056|7.665881|8.888203|17.568986|8.828447|5.534901|4.918734|3.611198|3.122848|3.251098|4.119418|2.668121|0.074901|2.339678|3.245800|2.245864|3.772441|2.164775|1.889105|1.775920|1.864454|2.128978|2.332847|23.154812|12.353906|3.246783|0.064264|2.534759|2.191208|1.935411|2.038288|0.116962|0.099908|0.101915|0.213746|0.214858|0.302183|0.500000| |3.604660|6.758151|5.546687|8.823184|17.558810|8.889689|5.659695|4.221057|3.993000|4.718945|7.140712|3.788300|0.111646|3.088282|4.289148|2.999523|5.082796|2.792337|2.369636|2.158557|2.226010|2.567376|2.946016|29.553566|14.694886|4.408968|0.083466|3.523091|2.953105|2.507705|2.682774|0.092403|0.091593|0.091615|0.124052|0.139930|0.216515|0.207468|0.500000| |4.028085|7.618729|6.766742|8.877907|17.515589|8.910976|6.138506|4.418091|4.012737|4.512983|6.466214|3.566693|0.101853|3.110563|4.516366|3.082046|4.987318|2.973017|2.471448|2.280848|2.420976|2.888397|3.309318|36.398966|15.251311|3.996849|0.077440|2.984003|2.516051|2.238917|2.461088|0.103034|0.096616|0.106733|0.139640|0.199609|0.174043|0.218693|0.303940|0.500000| |7.642365|9.717737|4.645911|3.918130|4.061392|5.618492|8.846534|17.791334|9.033634|5.657874|4.996418|4.099551|0.096488|3.725160|4.511326|2.739175|4.529027|2.410233|2.067463|1.856287|1.868929|2.107029|2.435895|23.568061|12.888514|5.105488|0.115726|3.551021|2.769042|2.621123|2.926344|0.148877|0.243234|0.216582|0.113704|0.118026|0.107186|0.089796|0.096961|0.102409|0.500000| |3.973151|5.728734|3.282223|3.118361|3.546093|4.938187|5.630214|9.041390|17.656917|8.842906|5.658163|6.865887|0.138921|6.267234|6.399437|3.627648|6.057784|2.950836|2.499981|2.160423|2.108723|2.354083|2.819455|26.066058|14.879573|8.506126|0.216992|4.961702|3.642781|3.616492|4.410901|0.090131|0.117198|0.113527|0.080403|0.086545|0.085763|0.074019|0.090662|0.091248|0.221786|0.500000| |3.284281|5.721502|3.950155|4.653696|7.149187|9.025069|5.642611|4.986972|5.680758|8.922903|17.676717|7.039728|0.227068|4.981818|6.865466|4.665439|7.835963|3.924243|3.141680|2.694581|2.688242|3.132337|3.907873|39.046575|17.754609|6.878506|0.121427|5.113783|3.987596|3.383719|3.907779|0.080275|0.086739|0.087987|0.090812|0.104909|0.121978|0.110703|0.216547|0.178328|0.108206|0.123975|0.500000| |2.860653|4.185290|2.641142|2.598026|3.071993|3.924108|3.869307|4.765128|6.868567|7.107302|4.903221|8.767507|0.174938|17.625432|12.623457|5.823399|9.141920|4.241150|3.465362|2.835610|2.682150|2.989161|3.766912|32.472340|18.947446|8.741094|0.189004|4.369316|3.548708|3.795201|5.289683|0.068536|0.079785|0.083654|0.064853|0.072887|0.069583|0.064193|0.081176|0.083803|0.117833|0.220064|0.121638|0.500000| |2.338040|3.453478|2.262115|2.302762|2.724378|3.294672|3.092759|3.540753|4.714236|5.498518|4.191120|8.722803|0.204031|17.665455|12.659178|7.377073|13.639928|4.751832|4.058481|3.156473|2.832396|3.033594|3.813536|29.596642|21.343362|9.886050|0.185239|4.654908|4.113642|4.737272|7.616176|0.057508|0.065333|0.066783|0.056266|0.062131|0.062441|0.057952|0.075000|0.074285|0.088245|0.140888|0.113806|0.302596|0.500000| |2.697217|4.057551|2.713370|2.705506|3.325830|3.992896|3.655715|3.959428|4.847546|5.645904|4.909360|6.187546|0.160740|9.008712|26.114417|9.306543|10.876206|7.236081|4.936706|3.908676|3.815586|4.610169|6.684921|59.063687|23.787045|5.809759|0.112765|3.382028|2.900632|2.947044|3.799001|0.066031|0.071710|0.079770|0.065608|0.078069|0.069741|0.068361|0.087595|0.096977|0.096315|0.128990|0.132300|0.230695|0.185136|0.500000| |1.716540|2.543903|1.797196|1.872889|2.198998|2.358499|2.129720|2.191417|2.508223|2.891646|2.763599|3.463861|0.106247|4.050794|6.875297|7.409438|13.570864|8.948288|17.778743|8.942166|5.654749|4.972284|5.669950|31.316924|53.909406|4.070144|0.075546|2.576174|2.547372|2.683613|3.226441|0.044013|0.046443|0.049014|0.045305|0.050968|0.049729|0.049562|0.062251|0.063446|0.055703|0.068708|0.082984|0.096063|0.120113|0.124078|0.500000| |1.586834|2.333412|1.720693|1.773168|2.031778|2.048490|1.867984|1.840892|1.966271|2.169403|2.218955|2.294132|0.067929|2.509651|4.188351|3.551597|5.639257|4.928726|5.652396|8.915409|17.753961|8.928283|5.650027|31.825439|53.686517|2.700083|0.051949|1.815380|1.747112|1.752707|1.981878|0.041645|0.041875|0.045767|0.043745|0.050479|0.045898|0.048523|0.056516|0.061474|0.047529|0.052629|0.065827|0.065031|0.067985|0.088217|0.124325|0.500000| |1.948418|2.911717|2.171444|2.227135|2.615206|2.610700|2.343676|2.260117|2.380754|2.644742|2.790370|2.679433|0.078878|2.897371|5.035372|4.037503|5.981915|5.637245|4.970777|5.667226|8.935389|17.759784|8.948698|55.193407|31.630686|3.024681|0.058293|2.032527|1.890869|1.858301|2.126076|0.050848|0.050424|0.056687|0.054165|0.065226|0.056170|0.060894|0.071218|0.082400|0.057551|0.062181|0.082630|0.075782|0.074623|0.112735|0.107914|0.215117|0.500000| |2.815851|4.289315|2.709659|2.880784|3.234193|4.001510|3.852028|4.337283|5.334659|5.768083|4.784907|5.930632|0.146662|4.245270|4.590803|3.068988|5.783326|2.504116|2.230277|1.932895|1.843829|1.988186|2.317488|20.083358|13.768028|12.257955|0.247384|17.649228|8.737435|6.543798|6.103998|0.069013|0.083691|0.073805|0.068691|0.068607|0.085573|0.069846|0.092397|0.079033|0.106671|0.144746|0.122232|0.112324|0.112107|0.084995|0.063413|0.046467|0.052126|0.500000| |2.852536|4.585342|2.991753|3.348363|4.038736|5.003343|4.262189|4.417239|5.450921|7.302842|6.742184|7.586443|0.216686|4.723920|5.355947|3.675807|6.980025|2.955014|2.570439|2.200935|2.104827|2.300176|2.733121|23.990998|15.358200|12.161612|0.192107|17.712449|8.657834|5.738721|5.953919|0.070105|0.081331|0.074802|0.073839|0.076143|0.098078|0.080836|0.121155|0.097269|0.102298|0.133092|0.186891|0.116437|0.119576|0.097360|0.072289|0.052502|0.059989|0.302920|0.500000| |2.117710|3.193003|2.141288|2.331262|2.591852|2.923088|2.711185|2.856267|3.298284|3.707502|3.415665|4.183471|0.118759|3.304743|3.817036|2.755663|5.482818|2.302481|2.134436|1.862886|1.748308|1.836656|2.095219|17.323685|13.625106|7.764890|0.139344|8.794743|17.611784|8.686591|5.692359|0.053767|0.061516|0.055967|0.055273|0.055203|0.068982|0.058874|0.077072|0.065104|0.072250|0.090070|0.096383|0.083922|0.093431|0.069814|0.062044|0.044373|0.047850|0.221027|0.192000|0.500000| |2.100436|3.225225|2.195576|2.426201|2.811182|3.149991|2.788248|2.885769|3.412110|4.143803|3.884734|5.089332|0.160967|3.889231|4.576004|3.444807|7.200374|2.803532|2.586502|2.208482|2.044651|2.147119|2.488866|20.184912|15.943058|8.822691|0.140251|8.821185|17.573424|8.831496|6.909731|0.053204|0.059662|0.056140|0.055775|0.057442|0.070140|0.061602|0.085214|0.071686|0.071272|0.091046|0.116486|0.093228|0.110702|0.081187|0.075847|0.051254|0.055134|0.174585|0.220683|0.302274|0.500000| |2.033318|2.966236|1.949676|2.036151|2.259781|2.620039|2.529316|2.821832|3.400412|3.637114|3.077469|4.428164|0.115908|3.851608|4.172460|2.937561|5.885439|2.391614|2.239873|1.929116|1.781407|1.853345|2.124417|17.191724|14.205179|9.220755|0.183817|6.820985|8.793575|17.551658|8.823426|0.051163|0.059500|0.055143|0.050331|0.051178|0.058724|0.051424|0.064646|0.058279|0.073238|0.100547|0.083887|0.099690|0.117272|0.075257|0.066443|0.045033|0.047798|0.182266|0.137897|0.215615|0.173651|0.500000| |1.836637|2.710439|1.825793|1.936516|2.179724|2.458771|2.298702|2.480613|2.951530|3.315988|2.923613|4.198462|0.119815|3.731601|4.244548|3.172623|6.727530|2.582021|2.475829|2.112469|1.913722|1.960600|2.240755|17.555607|15.719386|7.744676|0.137506|5.658286|8.687572|17.611590|8.812757|0.046645|0.052718|0.050017|0.046997|0.048440|0.055305|0.049577|0.063452|0.056999|0.063615|0.084410|0.083362|0.091877|0.117205|0.075117|0.075187|0.048223|0.049992|0.134248|0.126757|0.196031|0.216878|0.301972|0.500000| 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