Version2.4 2021-06-07T09:28:08Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(ccc1OCC(C)C)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)[N+](=O)[O-])CCOCCO)[O-] C40093752 RHF 6-31G(d) (6D,7F) Cc1cc(ccc1OCC(C)C)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)[N+](=O)[O-])CCOCCO)[O-] C01[X(C26H29N2O8)] 189 C1 598 OCCOCCN1[C@H](c2ccc(cc2)[N+](=O)[O-])C(=C(C1=O)[O-])C(=O)c1ccc(c(c1)C)OCC(C)C OCCOCCN1[C@H](c2ccc(cc2)[N+](=O)[O-])C(=C(C1=O)[O-])C(=O)c1ccc(c(c1)C)OCC(C)C CC(C)COc1ccc(cc1C)C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@@H]2c3ccc(cc3)[N+]([O-])=O InChIKey=CDVSRURWGDLELW-HSZRJFAPSA-M InChI=1S/C26H30N2O8/c1-16(2)15-36-21-9-6-19(14-17(21)3)24(30)22-23(18-4-7-20(8-5-18)28(33)34)27(26(32)25(22)31)10-12-35-13-11-29/h4-9,14,16,23,29,31H,10-13,15H2,1-3H3/p-1/t23-/m1/s1 InChI=1/C26H30N2O8/c1-16(2)15-36-21-9-6-19(14-17(21)3)24(30)22-23(18-4-7-20(8-5-18)28(33)34)27(26(32)25(22)31)10-12-35-13-11-29/h4-9,14,16,23,29,31H,10-13,15H2,1-3H3/p-1/t23-/m1/s1/fC26H29N2O8/h31h/q-1 Cc1cc(ccc1OCC(C)C)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)[N+](=O)[O-])CCOCCO)[O-] C01[X(C26H29N2O8)] 189 C01 598 OCCOCCN1[C@H](c2ccc(cc2)[N+](=O)[O-])C(=C(C1=O)[O-])C(=O)c1ccc(c(c1)C)OCC(C)C OCCOCCN1[C@H]([C]2[CH][CH][C]([CH][CH]2)[N]([O])[O])[C]([C](=O)C1=O)[C](=O)[C]1[CH][CH][C]([C]([CH]1)C)OCC(C)C C[C]1[CH][C]([CH][CH][C]1OCC(C)C)C(=O)[C]2[C@@H]([C]3[CH][CH][C]([CH][CH]3)N([O])[O])N(CCOCCO)C(=O)C2=O InChIKey=KMERLDFSJLSTGT-HSZRJFAPSA-N InChI=1S/C26H29N2O8/c1-16(2)15-36-21-9-6-19(14-17(21)3)24(30)22-23(18-4-7-20(8-5-18)28(33)34)27(26(32)25(22)31)10-12-35-13-11-29/h4-9,14,16,23,29H,10-13,15H2,1-3H3/t23-/m1/s1 InChI=1/C26H29N2O8/c1-16(2)15-36-21-9-6-19(14-17(21)3)24(30)22-23(18-4-7-20(8-5-18)28(33)34)27(26(32)25(22)31)10-12-35-13-11-29/h4-9,14,16,23,29H,10-13,15H2,1-3H3/t23-/m1/s1 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 10.7002 13.6626 15.1807 22.5929 27.5870 33.4383 37.7022 43.2610 52.2409 55.3270 62.8100 68.1121 79.7845 92.4456 99.0052 109.6981 127.8939 141.9060 147.3380 157.8497 171.0017 173.9308 199.2014 208.2640 218.1641 228.5118 236.4103 237.4348 253.0514 277.6175 281.7644 283.6765 302.2669 337.0626 344.7909 351.3828 363.2795 376.2051 384.0192 399.4504 434.1697 457.9507 459.6682 465.2733 470.8017 494.3986 497.6414 521.4126 536.0861 558.1283 568.1623 576.7669 577.6494 595.7601 602.7969 623.4587 650.3985 688.2312 716.9201 742.0234 753.6878 793.1852 804.1965 822.9259 848.8612 857.5249 873.4621 883.4102 903.8161 907.6797 912.0016 919.1818 936.3843 946.4866 961.5425 967.1480 983.4128 987.2214 1000.9599 1014.2443 1019.6750 1036.9043 1041.0583 1048.2636 1053.4410 1081.3656 1097.1256 1102.0208 1112.1143 1115.7226 1116.2033 1151.2503 1173.6787 1180.5437 1184.2260 1201.0646 1207.9846 1222.4370 1236.8357 1246.9657 1247.3772 1251.8880 1266.6815 1290.2814 1294.8247 1301.2552 1305.2688 1307.0703 1309.3466 1317.6365 1322.3046 1329.4963 1349.8419 1360.9957 1378.3614 1390.3311 1404.9227 1408.5728 1413.0407 1431.3097 1440.1027 1463.5439 1481.1179 1499.4191 1510.1536 1512.8324 1523.4938 1533.8545 1553.3064 1557.0049 1559.8093 1569.8266 1572.3532 1580.4688 1584.9420 1588.3170 1598.0997 1609.0345 1624.9738 1627.0701 1629.2220 1635.2442 1637.8047 1639.1281 1648.9772 1656.9544 1659.1140 1662.2501 1670.4275 1670.7086 1680.9204 1686.2032 1764.2455 1777.9830 1795.3075 1812.1760 1817.9924 1848.6695 1943.7823 1960.7822 3163.5636 3177.7426 3183.9563 3191.5354 3196.7398 3199.1080 3201.4673 3203.6680 3219.3505 3227.1560 3237.2313 3242.3006 3245.2279 3253.1717 3256.5032 3257.7551 3261.4563 3270.1020 3280.1859 3290.2413 3299.0112 3371.4737 3380.0843 3383.8603 3396.0248 3399.5817 3432.7013 3433.4152 4090.4719 5.7493 6.9601 5.1950 4.0402 5.8610 4.7893 4.0633 4.7288 3.4306 7.2062 4.2934 5.7223 6.1384 4.7965 7.1628 9.8372 5.7955 3.7086 2.5362 1.5453 5.2401 2.4126 4.5373 4.2369 3.5119 3.3464 1.3178 2.7406 1.6921 2.3807 2.4463 6.1473 4.2768 4.8261 4.2791 4.8966 2.3451 9.2585 5.3292 2.6713 4.2023 2.7710 2.9842 1.3160 2.2168 3.5864 5.5872 4.0806 4.5579 4.1831 3.9127 2.7949 6.4096 6.9635 4.7364 3.7763 4.6289 7.0937 5.6918 6.0561 5.0519 4.7668 4.2708 3.4270 4.5711 5.0853 5.0765 5.4703 3.0494 2.7965 4.9926 2.9466 1.7751 1.2791 3.2480 8.9194 2.1297 2.8321 2.1280 1.2152 1.3499 1.6801 1.7984 1.3849 1.7974 1.3334 1.6690 1.4534 2.7170 2.7139 1.3939 3.4541 1.5042 3.0531 4.1857 2.3558 1.6864 2.6705 2.8323 1.9903 2.0094 2.4124 2.3966 4.8501 3.6266 1.7966 1.3509 1.7722 2.5644 2.5137 2.5309 2.5042 2.3022 2.0565 2.4011 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2.0988 3.1506 4.7988 0.1356 2.7314 2.3028 1.3584 6.7598 0.6683 0.0889 0.5397 1.1351 3.4422 2.7897 0.4682 2.3579 4.2463 4.8470 4.7825 0.3178 1.1985 1.5519 4.3988 140.3933 0.6676 2.6585 8.7463 16.6592 2.6265 0.3012 9.0429 12.1137 7.5796 18.3706 4.5577 27.2496 20.6173 1.0049 19.2995 1.2438 2.7894 6.2500 4.2662 80.6110 19.1307 23.7257 12.6270 70.1971 24.1244 10.1227 29.8792 0.6138 15.2106 0.2225 20.2474 22.0726 34.8067 12.5360 18.1214 1.2242 4.7832 3.9653 23.2470 1.1044 3.3994 1.4462 12.1947 1.1301 1.5449 5.0008 0.1057 22.8762 2.1545 43.5100 7.1350 110.2060 8.6637 65.9199 48.2827 10.6379 34.1877 1.4994 69.2877 166.6284 25.9079 7.6578 18.6620 21.4473 32.8597 52.1728 36.9962 20.2345 67.6516 16.7182 157.8092 10.7444 235.7812 13.6623 178.9940 26.7505 21.8972 12.2900 69.0768 32.3495 1.5554 17.9676 417.7820 364.0535 3.2247 5.7775 65.5189 0.2279 20.8969 34.9507 79.7570 90.3731 439.0997 4.2588 64.6323 485.7933 8.1799 3.2991 3.2198 10.8452 4.0240 6.9536 15.0220 4.6443 7.4028 57.8529 0.6756 32.5663 118.4670 16.3505 46.8323 144.6884 344.8340 347.2419 720.4836 632.4688 40.4694 109.4313 12.6802 34.4919 13.2232 37.1482 21.9764 50.1175 109.7120 33.2048 47.8059 17.3432 17.2935 25.1645 110.7259 48.2215 89.6543 92.4587 34.1670 26.0702 30.2917 16.0773 11.3920 9.3298 20.3538 1.7494 0.5729 0.1989 62.3295 0.6470 0.7388 0.1142 1.2687 2.6524 3.1728 1.7277 2.3483 1.4564 1.5207 1.7853 0.8614 1.3541 0.3716 0.1324 0.2859 1.3456 0.5238 0.4045 0.7896 0.8015 0.3588 0.6957 0.9630 2.3383 0.5437 0.8039 2.0510 0.4148 1.1668 0.3743 1.6692 1.0409 2.4742 2.6336 2.3025 0.9707 0.9531 1.4225 0.7956 2.7087 1.0889 0.4842 2.3893 0.7255 1.1456 0.5224 2.1762 1.3269 3.9836 0.5628 0.9306 1.6065 1.5677 3.5145 3.3947 3.0039 6.8928 7.1991 1.9502 1.8333 0.6989 1.6282 3.8332 5.3812 4.5923 4.8518 14.7910 5.4706 19.5683 1.1844 4.1383 1.6275 1.8870 3.0171 20.3410 1.3166 1.6790 5.1134 1.7000 4.1589 2.7411 3.3526 5.3109 8.6579 1.0836 3.5888 4.0319 4.2241 5.6121 0.6100 1.6223 0.8895 1.5739 3.6180 2.1172 1.7855 5.4350 93.9121 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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 16939.2541 24918.7894 29373.0730 0.99996 0.00585 0.00652 -0.00549 0.99854 -0.05381 -0.00683 0.05377 0.99853 1 0.00511 0.00348 0.00295 0.10654 0.07242 0.06144 15.40 19.66 21.84 32.51 39.69 48.11 54.25 62.24 75.16 79.60 90.37 98.00 114.79 133.01 142.45 157.83 184.01 204.17 211.99 227.11 246.03 250.25 286.61 299.65 313.89 328.78 340.14 341.62 364.08 399.43 405.40 408.15 434.89 484.96 496.08 505.56 522.68 541.28 552.52 574.72 624.67 658.89 661.36 669.42 677.38 711.33 716.00 750.20 771.31 803.02 817.46 829.84 831.11 857.17 867.29 897.02 935.78 990.21 1031.49 1067.61 1084.39 1141.22 1157.06 1184.01 1221.32 1233.79 1256.72 1271.03 1300.39 1305.95 1312.17 1322.50 1347.25 1361.78 1383.45 1391.51 1414.91 1420.39 1440.16 1459.27 1467.08 1491.87 1497.85 1508.22 1515.67 1555.84 1578.52 1585.56 1600.08 1605.28 1605.97 1656.39 1688.66 1698.54 1703.84 1728.06 1738.02 1758.81 1779.53 1794.11 1794.70 1801.19 1822.47 1856.43 1862.96 1872.22 1877.99 1880.58 1883.86 1895.79 1902.50 1912.85 1942.12 1958.17 1983.15 2000.38 2021.37 2026.62 2033.05 2059.34 2071.99 2105.71 2131.00 2157.33 2172.77 2176.63 2191.97 2206.87 2234.86 2240.18 2244.22 2258.63 2262.27 2273.94 2280.38 2285.23 2299.31 2315.04 2337.97 2340.99 2344.09 2352.75 2356.44 2358.34 2372.51 2383.99 2387.09 2391.61 2403.37 2403.78 2418.47 2426.07 2538.36 2558.12 2583.05 2607.32 2615.69 2659.82 2796.67 2821.13 4551.66 4572.06 4581.00 4591.91 4599.40 4602.80 4606.20 4609.36 4631.93 4643.16 4657.65 4664.95 4669.16 4680.59 4685.38 4687.18 4692.51 4704.95 4719.46 4733.92 4746.54 4850.80 4863.19 4868.62 4886.12 4891.24 4938.89 4939.92 5885.28 0.562670 0.596149 0.597093 0.490621 -1708.608429 -1708.574949 -1708.574005 -1708.680478 3.571122D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE Cc1cc(ccc1OCC(C)C)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)[N+](=O)[O-])CCOCCO)[O-] C40093752 RHF 6-31G(d) (6D,10F) C1 497.192391 |X|Y|Z| 76.815284 59.061133 102.499525 77.474198 18 6 7 17 1 |36.858105| |12.621695|36.858105| |7.549276|13.811292|36.858105| |4.985994|7.829420|13.647721|36.858105| |4.438723|6.846399|8.014796|13.813316|36.858105| |5.020561|7.889230|6.919547|7.888019|13.672999|36.858105| |7.553223|13.595456|7.983029|6.820376|7.937522|13.792135|36.858105| |6.938182|8.156174|5.297498|4.590246|5.188041|7.873418|14.016939|73.516695| |4.602623|5.237761|3.990165|3.775795|4.507407|6.721084|7.970433|24.210884|36.858105| |4.006131|4.060398|3.190346|2.960283|3.331333|4.395449|5.192879|14.258260|12.495667|36.858105| |4.009039|3.846087|3.041270|2.770115|3.014542|3.805064|4.571178|11.664133|7.540215|12.450960|36.858105| |3.046842|3.147934|2.625977|2.529477|2.877816|3.638425|3.902751|9.103365|7.613731|12.440654|7.537998|36.858105| |3.785338|5.006562|7.577277|12.523240|7.472408|4.975412|4.417658|5.975193|2.909626|2.395495|2.272079|2.112031|36.858105| |3.646402|4.531641|6.627348|8.199997|5.504240|4.115929|3.868995|5.430073|2.640168|2.226210|2.108905|1.967747|15.710058|73.516695| |3.093637|3.904996|5.180003|7.505524|6.086102|4.251635|3.667691|5.182556|2.622271|2.185136|2.096693|1.967514|13.296946|14.378988|36.858105| |2.550094|3.058492|3.832276|4.931929|4.314270|3.286593|2.900710|4.279078|2.212183|1.889261|1.816143|1.731454|7.546518|11.409493|13.471513|36.858105| |2.262421|2.668067|3.178589|3.938907|3.713615|2.961228|2.603175|3.932847|2.077001|1.789284|1.736591|1.661467|5.077660|7.658967|8.093534|12.367018|36.858105| |1.980708|2.284522|2.652405|3.166118|3.039907|2.518177|2.242428|3.462180|1.850419|1.617476|1.572729|1.518684|3.902052|6.227953|5.409794|7.709743|15.851206|73.516695| |2.433603|2.911111|3.431121|4.296562|4.173953|3.324537|2.883177|4.326780|2.287954|1.950934|1.907889|1.803754|5.123447|7.260234|8.184734|8.155813|14.059904|14.964210|53.358707| |2.983889|3.742646|4.603530|6.234132|5.868897|4.333674|3.674812|5.274510|2.718650|2.258034|2.199928|2.043573|7.278827|9.084207|12.526779|7.910135|8.086191|9.667793|17.803992|36.858105| |3.031351|3.888323|4.569636|6.331885|6.993149|5.097867|4.050473|5.771089|3.035122|2.465445|2.373464|2.242123|6.330684|8.058355|8.664567|6.010693|6.218497|8.206503|12.519642|17.584806|0.500000| |3.229849|3.938708|4.749807|5.631058|5.020736|4.078438|3.723361|5.425558|2.736267|2.306909|2.319220|2.055266|5.875014|7.939290|7.426147|5.417858|5.513709|7.498709|10.589837|12.435816|0.249800|36.858105| |3.494487|4.247723|4.707822|5.201896|5.023538|4.463626|4.162785|6.158987|3.107854|2.603505|2.674853|2.293918|4.692400|6.602316|5.189806|3.980621|4.058425|5.907913|7.352496|7.499069|0.206367|13.723794|36.858105| |3.450505|3.890984|4.100962|4.114970|3.892974|3.698404|3.707444|5.785248|2.903690|2.525938|2.695434|2.213451|3.741208|5.615083|3.935882|3.222867|3.273974|4.980182|5.533717|4.983230|0.134037|7.880463|13.751052|36.858105| |3.160235|3.415636|3.705886|3.639920|3.292329|3.071183|3.125747|4.932465|2.468121|2.198177|2.341983|1.940076|3.523277|5.484558|3.716173|3.167894|3.206548|4.949084|5.207106|4.430683|0.111867|6.882722|8.010732|13.807162|36.858105| |2.958149|3.242137|3.717419|3.763944|3.278112|2.926604|2.918621|4.521411|2.264180|2.007321|2.089321|1.786027|3.934852|6.166714|4.306292|3.749429|3.779419|5.758650|6.019546|4.991392|0.116775|7.891428|6.874651|7.882067|13.707841|36.858105| |2.991730|3.446938|4.156724|4.543481|3.876091|3.270365|3.132473|4.703531|2.361903|2.049648|2.084225|1.830767|5.081337|7.538420|6.111398|5.100650|5.133964|7.313859|8.565990|7.486871|0.155689|13.640162|7.956786|6.862154|7.999310|13.844101|36.858105| |2.892638|2.962321|3.088652|2.941891|2.703335|2.607143|2.718929|4.460868|2.251392|2.066976|2.249998|1.831961|2.832838|4.576227|2.913476|2.573927|2.600766|4.144295|4.061394|3.312405|0.085976|4.514862|5.139962|7.801151|13.123305|7.769349|5.137987|53.358707| |2.884274|2.904108|2.911721|2.748696|2.594210|2.579389|2.722829|4.588350|2.337099|2.176991|2.426344|1.927837|2.573543|4.161421|2.614385|2.306057|2.332469|3.743573|3.642352|2.974731|0.079785|3.888178|4.673215|7.073806|8.369511|5.407034|4.091243|21.655139|73.516695| |2.613413|2.637072|2.783394|2.650459|2.409840|2.304164|2.399119|3.950554|2.001083|1.854739|2.001927|1.656453|2.626602|4.344288|2.701369|2.453395|2.472470|3.999099|3.752624|2.975728|0.076118|3.889473|4.095209|5.424865|8.374416|7.056923|4.676494|21.672602|16.041899|73.516695| |2.172272|2.539045|2.859536|3.411495|3.460567|2.932161|2.569013|3.973730|2.147498|1.856911|1.833602|1.741639|3.755243|5.573859|5.109042|5.117416|7.813144|12.108018|18.012497|7.440152|0.189721|6.084724|4.943552|3.909290|3.641813|4.013298|5.136100|3.970288|4.726643|4.773741|36.858105| |2.003130|2.339615|2.572864|3.073745|3.278037|2.836305|2.436268|3.821373|2.118250|1.832483|1.786212|1.750938|3.282945|4.957921|4.223068|4.275965|5.973854|10.233968|10.470352|5.525218|0.162518|4.411520|3.944428|3.203476|2.921565|3.083750|3.719011|3.317037|4.067993|3.996051|12.538895|36.858105| |2.165210|2.575291|2.784805|3.378127|3.822594|3.339186|2.770493|4.328872|2.438587|2.071277|1.997883|1.986894|3.424186|5.070783|4.242228|3.975185|4.919795|7.880828|8.727095|5.657417|0.192700|4.462865|4.257020|3.358770|2.926569|2.977486|3.547267|3.316629|4.144084|3.923490|7.973166|13.568194|73.516695| |1.982970|2.333387|2.474040|2.952605|3.404681|3.076982|2.550482|4.067763|2.348389|2.011138|1.912815|1.971991|2.954827|4.507684|3.476690|3.338891|3.915950|6.585953|6.184948|4.179925|0.138382|3.415721|3.333809|2.752777|2.429682|2.451278|2.833642|2.837911|3.594523|3.390534|5.187447|8.071142|24.264884|36.858105| |2.104347|2.492906|2.567578|3.035614|3.676562|3.490224|2.828039|4.568429|2.721193|2.298424|2.154123|2.286186|2.881552|4.395458|3.220233|2.960921|3.250679|5.336958|5.122386|3.802098|0.130591|3.225390|3.313708|2.755913|2.375362|2.333339|2.644606|2.798514|3.606551|3.309279|4.040279|5.219802|14.452152|12.581166|36.858105| |2.122570|2.483396|2.504958|2.876724|3.438899|3.403138|2.833241|4.675056|2.815817|2.404091|2.300655|2.400805|2.671707|4.083177|2.948045|2.670460|2.932771|4.809299|4.737778|3.575583|0.121380|3.236986|3.503540|2.972381|2.508795|2.396463|2.652003|2.977847|3.899529|3.478228|3.863146|4.694639|12.232959|7.914949|13.611824|73.516695| |2.360138|2.762507|3.413595|4.175603|3.652528|2.883928|2.599362|3.898646|2.020479|1.748534|1.675141|1.610235|6.161246|11.024145|7.883196|15.771958|7.976141|11.706094|7.492435|5.284263|0.122261|4.106434|3.215260|2.722834|2.724265|3.196971|4.072876|3.112533|3.662931|3.943275|3.988519|3.515016|5.811318|2.879546|2.581620|4.136103|73.516695| |17.543236|8.832431|5.891859|4.284715|3.973787|4.582931|6.679704|12.262751|4.686740|4.249698|4.593056|3.173473|3.343194|5.617278|2.854644|2.373649|2.157191|3.377253|3.200398|2.854653|0.080986|3.178069|3.574914|3.682974|3.331565|3.002078|2.949622|4.250448|5.693163|4.934867|2.138890|1.969959|3.790550|1.948231|2.076045|3.791859|3.879712|0.500000| |17.550644|8.834415|5.860508|4.263862|3.974464|4.610572|6.746126|12.504475|4.761342|4.313853|4.151176|3.234840|3.337019|5.838541|2.754100|2.320947|2.065374|3.250890|2.987910|2.635782|0.075027|2.773309|2.965722|2.909479|2.681555|2.534630|2.576146|3.392172|4.450723|4.056627|1.975669|1.851362|3.564157|1.866871|1.995117|3.559873|3.874597|0.303064|0.500000| |17.579643|8.886969|7.278313|4.748008|3.983066|4.180178|5.576369|8.879914|3.655744|3.268830|3.305477|2.599077|3.836969|6.818183|3.105113|2.588832|2.270446|3.539626|3.280057|2.928219|0.080378|3.202608|3.355408|3.359749|3.210999|3.076144|3.077967|4.033426|5.145268|4.855771|2.133920|1.944884|3.673725|1.883606|1.964759|3.503191|4.307056|0.301201|0.300977|0.500000| |6.996238|8.965715|17.726163|8.966097|5.698046|4.977328|5.662928|7.597600|3.329801|2.794970|2.719144|2.332973|7.144387|12.694861|4.911943|3.789501|3.095617|4.632393|4.433775|4.215137|0.110652|4.477934|4.263413|3.885547|3.726348|3.862242|4.235316|4.288851|5.178339|5.166745|2.709030|2.403968|4.504185|2.251295|2.292599|3.979940|6.159581|0.152484|0.151692|0.223754|0.500000| |3.549894|4.938916|5.673621|8.950982|17.722409|8.930440|5.657528|7.450181|3.913339|2.980760|2.695043|2.678892|6.896092|9.060266|6.475140|4.713883|4.144138|5.991165|6.346885|6.382839|0.230107|4.872944|4.686872|3.578562|3.056160|3.092529|3.728520|3.423204|4.279319|4.018475|3.835780|3.767463|8.074384|4.070311|4.386935|6.906746|6.969505|0.090437|0.090568|0.090611|0.124892|0.500000| |4.085665|5.612944|4.979213|5.642323|8.930848|17.751152|8.892364|12.529146|7.474308|4.691488|3.895888|4.073930|4.070381|6.131922|3.692292|2.975624|2.765107|4.255408|4.226278|3.869466|0.129495|3.587573|3.959576|3.328476|2.764797|2.619612|2.900881|3.247276|4.247757|3.759945|2.826499|2.828877|6.078994|3.259260|3.889879|6.755705|4.680149|0.107529|0.108451|0.095981|0.107995|0.217059|0.500000| |4.079307|4.770853|3.820314|3.759323|4.625814|6.832298|7.086015|16.534982|17.509835|8.835430|6.897786|6.848809|2.918859|4.610656|2.705238|2.273501|2.173384|3.436412|3.317670|2.898751|0.091820|2.928557|3.419173|3.163917|2.619429|2.372218|2.479678|3.225650|4.404534|3.700696|2.320359|2.302846|4.800093|2.592460|3.071189|5.809524|3.645076|0.118154|0.111446|0.092641|0.088498|0.114291|0.228856|0.500000| |4.097984|4.782896|3.827058|3.751890|4.607342|6.803748|7.084786|16.574290|17.526462|8.841406|5.493870|7.086794|2.922989|4.749784|2.623408|2.230940|2.081093|3.305597|3.082441|2.670390|0.083215|2.604752|2.872966|2.632605|2.269723|2.125258|2.249792|2.803532|3.752023|3.291387|2.113822|2.114239|4.344507|2.395719|2.799849|5.013054|3.649072|0.110404|0.120360|0.093182|0.088819|0.113939|0.227898|0.301052|0.500000| |4.182895|4.053553|3.166812|2.879320|3.158980|4.061691|4.933422|13.232388|9.006316|17.520334|8.908717|8.897488|2.346909|3.947265|2.110190|1.835112|1.719215|2.768932|2.520082|2.136789|0.063964|2.174916|2.407487|2.341513|2.077072|1.919241|1.958674|2.671151|3.644488|3.164838|1.747439|1.717935|3.412644|1.865246|2.100914|3.843472|3.049991|0.120073|0.132811|0.094817|0.078107|0.078141|0.116230|0.174856|0.214310|0.500000| |3.605768|3.597905|2.927978|2.730877|3.010050|3.765967|4.308783|10.165158|6.794141|8.779988|17.516322|6.840005|2.253901|3.673205|2.118361|1.834560|1.777926|2.864380|2.688711|2.269756|0.068616|2.408457|2.833512|2.869929|2.448869|2.155507|2.144816|3.200728|4.564993|3.679568|1.922852|1.879132|3.764339|2.023591|2.298669|4.462257|2.985540|0.114768|0.099706|0.084236|0.072532|0.075737|0.109268|0.203716|0.139965|0.173501|0.500000| |3.461898|3.236541|2.635882|2.408729|2.581295|3.144455|3.678955|8.744850|5.487218|8.786772|17.533635|6.874083|2.023036|3.379362|1.876644|1.648368|1.580868|2.566597|2.344099|1.956773|0.058085|2.058971|2.340733|2.381950|2.112162|1.896212|1.879027|2.807000|3.962554|3.301213|1.663787|1.625101|3.200081|1.734983|1.938574|3.671397|2.725403|0.108918|0.101283|0.081843|0.066862|0.065047|0.089365|0.140458|0.123114|0.213261|0.301431|0.500000| |4.924989|4.457825|3.404382|2.990855|3.167266|3.968053|5.073311|13.105495|6.889207|8.781431|17.599619|5.484062|2.427045|4.013462|2.212163|1.900307|1.802178|2.885301|2.696671|2.309438|0.068451|2.477711|2.872530|2.940879|2.562423|2.267887|2.241252|3.362539|4.746308|3.889714|1.886249|1.810574|3.570868|1.896847|2.105241|3.973543|3.111675|0.167565|0.139752|0.109680|0.084888|0.077016|0.107579|0.171549|0.140244|0.213099|0.301371|0.301102|0.500000| |2.895312|3.046175|2.581534|2.523017|2.900093|3.644203|3.785090|8.454313|6.929299|8.741405|5.473629|17.536381|2.117875|3.524927|1.967172|1.739744|1.661924|2.705888|2.435987|2.020272|0.061711|1.995751|2.191077|2.083663|1.838242|1.715030|1.776323|2.346105|3.188823|2.788512|1.720113|1.744101|3.525269|1.991787|2.319715|4.246485|2.891245|0.081405|0.086220|0.069221|0.063621|0.075882|0.115554|0.168384|0.213105|0.212990|0.139483|0.140621|0.122530|0.500000| |2.775301|2.779653|2.346932|2.242617|2.492278|3.046629|3.296390|7.477348|5.515641|8.782504|6.900351|17.547926|1.905500|3.188088|1.780991|1.583315|1.523033|2.491090|2.237599|1.843323|0.055532|1.865950|2.070760|2.027297|1.800787|1.658679|1.685130|2.346044|3.238009|2.789354|1.594098|1.599002|3.187873|1.780750|2.036491|3.805432|2.634432|0.080928|0.082409|0.066820|0.058951|0.064746|0.092143|0.140141|0.143312|0.212226|0.170216|0.206643|0.140824|0.301713|0.500000| |2.842320|2.996288|2.545313|2.496989|2.875959|3.608404|3.727298|8.302134|6.867942|8.759928|6.798341|17.521110|2.095922|3.433962|1.984301|1.747107|1.697288|2.761496|2.530873|2.097129|0.064514|2.110943|2.382589|2.294812|1.989382|1.819431|1.865660|2.551610|3.525854|2.995965|1.816539|1.839347|3.746224|2.100103|2.472247|4.713179|2.869487|0.082940|0.081465|0.067983|0.062691|0.075431|0.114929|0.202639|0.173906|0.173242|0.201945|0.168103|0.139420|0.301280|0.301869|0.500000| |3.529850|4.425964|4.681357|5.338871|5.762572|5.304763|4.681411|6.884137|3.555892|2.893093|2.934607|2.555147|4.508392|6.303583|4.882289|3.742515|3.817088|5.613107|6.868993|6.978411|0.229691|8.928716|17.728334|8.955737|5.685798|4.953816|5.652567|5.678226|7.161430|6.051001|4.748455|4.078589|8.430274|3.726947|3.870478|7.436584|5.417920|0.100424|0.084418|0.090996|0.112105|0.150855|0.133651|0.112528|0.090931|0.072936|0.087638|0.070245|0.086235|0.067727|0.063125|0.074663|0.500000| |3.438685|3.767487|3.740780|3.660207|3.595432|3.607478|3.701179|6.019050|3.060008|2.702480|2.969628|2.360842|3.235024|4.951772|3.321105|2.771878|2.814214|4.370567|4.649179|4.066058|0.114490|5.616967|8.878131|17.784439|8.944666|5.629837|4.951692|9.794062|14.140846|8.831357|3.376474|2.899588|5.512527|2.610204|2.679706|5.267198|4.247050|0.105691|0.081255|0.090964|0.097246|0.091512|0.092122|0.094003|0.075492|0.068652|0.089704|0.072593|0.090211|0.060812|0.060192|0.068587|0.214756|0.500000| |2.692256|2.865741|3.256779|3.243134|2.826158|2.549318|2.567084|4.043241|2.034417|1.831478|1.908566|1.639031|3.458511|5.654297|3.724837|3.409711|3.422093|5.384124|5.169667|4.070181|0.096410|5.619354|4.958199|5.634626|8.915389|17.784179|8.914558|9.761090|8.808489|14.097442|3.493723|2.745322|4.641162|2.194281|2.080204|3.777859|5.356834|0.075692|0.064928|0.079081|0.096375|0.074518|0.063932|0.058626|0.053321|0.049046|0.054352|0.048658|0.057465|0.043811|0.042621|0.046181|0.107629|0.124256|0.500000| |2.739906|3.130922|3.830219|4.251635|3.585516|2.983709|2.839196|4.281727|2.164056|1.889082|1.900656|1.701172|5.190657|8.006511|6.543330|6.050266|5.981445|8.459963|8.962173|6.986811|0.140955|8.916204|5.660580|4.948832|5.674067|8.968923|17.746689|5.669908|6.042190|7.154087|5.072839|3.671227|6.011743|2.740133|2.509615|4.378170|8.610658|0.073795|0.066609|0.079249|0.111046|0.097834|0.074017|0.062452|0.058055|0.050584|0.053917|0.047967|0.056447|0.046226|0.043652|0.047934|0.124349|0.107545|0.214842|0.500000| |2.270339|2.645165|2.932783|3.426925|3.496400|3.035412|2.687167|4.179013|2.256689|1.952633|1.953135|1.823083|3.604311|5.323714|4.667329|4.348667|5.778479|8.902719|12.551489|7.123421|0.189966|6.915658|6.036537|4.718381|4.252118|4.504664|5.587968|4.534515|5.413902|5.317786|17.581977|8.906942|13.092959|4.820960|4.008827|7.262245|6.143339|0.062971|0.056903|0.061605|0.076722|0.104717|0.081245|0.068539|0.060827|0.050635|0.057456|0.049037|0.055947|0.049537|0.046317|0.053148|0.158787|0.112000|0.105537|0.141290|0.500000| |1.988796|2.277344|2.557170|2.969224|2.944130|2.536671|2.273483|3.562413|1.922815|1.688008|1.675919|1.588350|3.319455|5.106097|4.383472|4.692832|7.283400|13.136316|12.606816|5.665659|0.139773|5.055137|4.142907|3.494274|3.417454|3.863538|4.777058|3.823507|4.511288|4.710437|17.588806|8.978288|10.255051|4.265165|3.374770|5.783454|6.817470|0.054480|0.050462|0.054835|0.068670|0.088861|0.067863|0.057179|0.052563|0.044401|0.048643|0.042604|0.047946|0.043565|0.040711|0.045853|0.107657|0.084435|0.096965|0.137559|0.301701|0.500000| |1.834644|2.105194|2.276933|2.644279|2.806946|2.505517|2.193060|3.505257|1.959239|1.720404|1.690205|1.658283|2.780950|4.294773|3.433626|3.491293|4.653919|8.426918|7.633969|4.320530|0.125473|3.752763|3.488269|2.959533|2.727768|2.838328|3.288501|3.170399|3.922626|3.839971|8.867436|17.468909|16.559292|7.069238|4.752625|8.040846|5.298326|0.050550|0.047320|0.049518|0.059541|0.087444|0.070026|0.059263|0.054096|0.044744|0.049629|0.043004|0.047391|0.045737|0.042340|0.048610|0.099653|0.075778|0.071234|0.089739|0.210331|0.221501|0.500000| |1.916139|2.233056|2.475317|2.973094|3.143482|2.691362|2.311856|3.623272|2.006575|1.740712|1.681825|1.668360|3.266890|5.019127|4.218057|4.556795|6.541943|12.184983|9.686446|5.044204|0.143974|3.898167|3.412423|2.814754|2.618559|2.808751|3.393429|3.009546|3.681558|3.676090|8.900294|17.565941|16.510304|7.408915|4.776888|7.214928|6.812467|0.051843|0.049550|0.051942|0.064693|0.101582|0.074466|0.059824|0.056263|0.045707|0.048706|0.042687|0.047323|0.046535|0.042417|0.048336|0.097169|0.070959|0.070697|0.096300|0.174583|0.211890|0.300323|0.500000| |1.802771|2.082075|2.188911|2.547549|2.868560|2.648965|2.256459|3.662436|2.122221|1.852846|1.779527|1.832807|2.559157|3.977788|2.976682|2.916885|3.452607|6.026222|5.345886|3.531929|0.111791|3.023448|2.977753|2.537190|2.269154|2.281119|2.584191|2.693350|3.427034|3.237460|4.701607|7.286801|16.539836|17.488544|8.887565|12.678058|4.560191|0.049548|0.047301|0.047770|0.056003|0.091998|0.077713|0.064923|0.059780|0.047784|0.052470|0.045223|0.048880|0.051236|0.046403|0.054394|0.090725|0.067470|0.057350|0.069617|0.123349|0.113215|0.212465|0.184836|0.500000| |1.930793|2.272713|2.436909|2.934965|3.354255|2.974068|2.462874|3.907401|2.242647|1.923132|1.812076|1.885230|3.010869|4.645497|3.550092|3.523999|4.097069|7.020900|6.069767|4.039591|0.129905|3.204311|3.035637|2.519963|2.264885|2.323692|2.707191|2.654762|3.340567|3.205081|4.777445|7.140974|16.510702|17.499151|8.849541|10.128307|5.490899|0.052135|0.050782|0.051225|0.061931|0.113345|0.086835|0.067572|0.064384|0.050075|0.052635|0.045833|0.050020|0.053401|0.047400|0.055152|0.092371|0.065920|0.058347|0.074297|0.117458|0.112485|0.167706|0.219010|0.299795|0.500000| |1.935898|2.259331|2.304343|2.675302|3.197412|3.100774|2.560595|4.218208|2.549101|2.190433|2.036685|2.223740|2.549812|3.977348|2.790938|2.618050|2.833609|4.756246|4.298788|3.163216|0.104424|2.731944|2.795960|2.391321|2.094841|2.060469|2.303501|2.510716|3.250530|2.995032|3.356911|4.253893|10.299486|8.887773|17.583713|16.878131|4.159444|0.053001|0.051594|0.050262|0.057603|0.103971|0.096894|0.078984|0.073810|0.055873|0.060109|0.051410|0.054792|0.063365|0.055327|0.066840|0.088822|0.065168|0.051688|0.061332|0.091665|0.080782|0.111826|0.113271|0.214544|0.212409|0.500000| |2.334865|2.833300|2.925367|3.549975|4.526639|4.246807|3.280846|5.185495|3.086855|2.530993|2.329309|2.488330|3.291519|4.943556|3.621066|3.228390|3.416000|5.451265|5.371274|4.210329|0.150861|3.470235|3.555546|2.892614|2.470848|2.432022|2.789220|2.882369|3.703129|3.396886|3.975849|4.822419|12.982187|8.923105|17.516398|16.473636|4.965756|0.063322|0.061471|0.060072|0.071219|0.157758|0.134584|0.096778|0.089563|0.064255|0.068486|0.057613|0.063396|0.070693|0.060760|0.074162|0.117679|0.077658|0.059843|0.073371|0.109042|0.091254|0.116331|0.125544|0.174214|0.215024|0.301037|0.500000| 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