Version2.0 2020-08-09T22:35:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 14-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(c(c1)C[NH+]2CCCn3cccc3[C@@H]2c4ccccc4Cl)OC C35790154 RHF 6-31G(d) (6D,7F) COc1ccc(c(c1)C[NH+]2CCCn3cccc3[C@@H]2c4ccccc4Cl)OC C01[X(C23H26Cl1N2O2)] 156 C1 476 COc1ccc(c(c1)C[NH+]1CCCn2c([C@@H]1c1ccccc1Cl)ccc2)OC COc1ccc(c(c1)C[NH+]1CCCn2c([C@@H]1c1ccccc1Cl)ccc2)OC COc1ccc(OC)c(C[NH+]2CCCn3cccc3[C@@H]2c4ccccc4Cl)c1 InChIKey=JDSWUKMATMJFQF-QHCPKHFHSA-O InChI=1S/C23H25ClN2O2/c1-27-18-10-11-22(28-2)17(15-18)16-26-14-6-13-25-12-5-9-21(25)23(26)19-7-3-4-8-20(19)24/h3-5,7-12,15,23H,6,13-14,16H2,1-2H3/p+1/t23-/m0/s1 InChI=1/C23H25ClN2O2/c1-27-18-10-11-22(28-2)17(15-18)16-26-14-6-13-25-12-5-9-21(25)23(26)19-7-3-4-8-20(19)24/h3-5,7-12,15,23H,6,13-14,16H2,1-2H3/p+1/t23-/m0/s1/fC23H26ClN2O2/h26H/q+1 COc1ccc(c(c1)C[NH+]2CCCn3cccc3[C@@H]2c4ccccc4Cl)OC C01[X(C23H26Cl1N2O2)] 156 C01 476 COc1ccc(c(c1)C[NH+]1CCCn2c([C@@H]1c1ccccc1Cl)ccc2)OC CO[C]1[CH][CH][C]([C]([CH]1)C[NH]1CCCN2C(=[CH][CH]=C2)[C@@H]1[C]1[CH][CH][CH][CH][C]1Cl)OC CO[C]1[CH][CH][C](OC)[C]([CH]1)C[NH]2CCCn3cccc3[C@@H]2[C]4[CH][CH][CH][CH][C]4Cl InChIKey=MMXKCQLFMZDTTN-QHCPKHFHSA-N InChI=1S/C23H26ClN2O2/c1-27-18-10-11-22(28-2)17(15-18)16-26-14-6-13-25-12-5-9-21(25)23(26)19-7-3-4-8-20(19)24/h3-5,7-12,15,23,26H,6,13-14,16H2,1-2H3/t23-/m0/s1 InChI=1/C23H26ClN2O2/c1-27-18-10-11-22(28-2)17(15-18)16-26-14-6-13-25-12-5-9-21(25)23(26)19-7-3-4-8-20(19)24/h3-5,7-12,15,23,26H,6,13-14,16H2,1-2H3/t23-/m0/s1 2866.1315957173 -1603.9713777 1-A 11773.5926 105 371 476 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.93636 -20.71572 -20.68098 -15.81538 -15.72397 -11.43665 -11.41867 -11.41766 -11.41619 -11.41013 -11.40081 -11.39753 -11.39246 -11.37711 -11.37343 -11.36805 -11.36498 -11.36419 -11.35755 -11.35452 -11.35250 -11.35124 -11.34784 -11.34694 -11.34668 -11.34060 -11.31997 -11.30613 -10.66979 -8.13909 -8.13583 -8.13572 -1.53664 -1.51172 -1.45975 -1.41755 -1.30942 -1.27256 -1.23532 -1.22812 -1.19910 -1.17156 -1.15373 -1.13827 -1.12320 -1.10634 -1.08374 -1.06839 -1.05365 -1.03329 -1.03004 -0.97237 -0.95147 -0.94642 -0.93110 -0.91291 -0.88969 -0.87657 -0.84150 -0.83989 -0.82522 -0.81656 -0.80872 -0.80476 -0.79185 -0.78933 -0.77486 -0.75903 -0.75628 -0.74771 -0.74276 -0.73927 -0.73309 -0.72779 -0.72409 -0.71188 -0.69888 -0.69131 -0.68997 -0.67945 -0.67916 -0.67228 -0.66636 -0.65609 -0.65222 -0.64455 -0.63989 -0.63798 -0.62938 -0.62671 -0.62073 -0.61796 -0.61178 -0.60926 -0.60489 -0.57963 -0.57482 -0.56124 -0.55096 -0.46304 -0.45279 -0.44773 -0.44167 -0.40789 -0.40274 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.00189 0.01584 0.02406 0.05311 0.05830 0.09087 0.09457 0.10752 0.12888 0.13518 0.13888 0.13985 0.15435 0.16249 0.16507 0.16792 0.17306 0.17871 0.18281 0.19421 0.19467 0.20239 0.20589 0.20871 0.21068 0.22036 0.22416 0.22625 0.22988 0.23304 0.23517 0.23923 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1.14519 1.14623 1.16536 1.16871 1.17383 1.18761 1.19310 1.19678 1.20326 1.20394 1.21877 1.23581 1.25150 1.25703 1.26719 1.27355 1.28957 1.29667 1.31368 1.32664 1.33058 1.33808 1.34812 1.35290 1.36632 1.37967 1.38620 1.39169 1.41446 1.42754 1.43144 1.45447 1.47179 1.48856 1.49987 1.51371 1.53031 1.53737 1.54251 1.54607 1.56031 1.57422 1.59031 1.59824 1.60286 1.61786 1.62702 1.63716 1.64057 1.64688 1.64992 1.66054 1.66534 1.67004 1.68553 1.69809 1.71229 1.72536 1.73301 1.75194 1.77744 1.79902 1.82093 1.82879 1.84492 1.86577 1.88228 1.90051 1.91001 1.94516 1.96339 1.97764 1.98577 1.99182 2.00445 2.01264 2.01732 2.03010 2.03708 2.05045 2.05973 2.06743 2.08203 2.09239 2.09467 2.11881 2.13208 2.14097 2.14461 2.16356 2.16897 2.17595 2.19799 2.20300 2.20438 2.21477 2.22389 2.23454 2.24701 2.25569 2.27263 2.28731 2.29653 2.30820 2.31164 2.31841 2.32652 2.33659 2.34041 2.34940 2.35389 2.35690 2.37119 2.37894 2.39255 2.40305 2.41005 2.41479 2.42371 2.43788 2.45198 2.46537 2.46975 2.48137 2.49097 2.49680 2.50360 2.51142 2.51672 2.52773 2.53281 2.53494 2.55677 2.56667 2.57770 2.58394 2.58520 2.59890 2.61705 2.62754 2.65239 2.65668 2.68157 2.70130 2.73996 2.74571 2.78039 2.80257 2.80804 2.81796 2.81890 2.83483 2.84450 2.85003 2.86600 2.88726 2.88962 2.91012 2.92903 2.94215 2.95600 2.97049 2.97777 2.98788 2.99330 3.00225 3.01744 3.02595 3.03505 3.04625 3.06901 3.08671 3.10410 3.12041 3.14516 3.19491 3.26354 3.28281 3.31857 3.36577 3.36949 3.42641 3.44950 3.55417 3.67994 3.75351 4.32788 4.36254 4.38849 4.39721 4.41154 4.42559 4.45733 4.48168 4.50515 4.51417 4.52856 4.57281 4.59186 4.62637 4.63690 4.67754 4.68468 4.69993 4.72819 4.74848 4.77233 4.84185 4.86697 4.90038 4.92376 5.00882 5.07771 5.19696 11.01045 2.7361 3.2937 1.0912 4.4188 |XX|YY|ZZ|XY|XZ|YZ| -121.3871 -137.4348 -147.5353 7.5118 -2.8823 -6.8893 |XX|YY|ZZ|XY|XZ|YZ| 14.0653 -1.9824 -12.0829 7.5118 -2.8823 -6.8893 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 290.2619 22.2738 15.9624 -53.2993 -2.5285 36.9423 1.9224 19.2060 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0.8571 0.4775 0.1966 0.2653 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 6 8 6 6 6 6 6 6 6 7 1 6 6 6 7 6 6 6 6 6 1 6 6 6 6 6 6 17 8 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 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 15.99491 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 8101.3178 15639.7592 18347.3794 0.99995 -0.00811 -0.00618 0.00797 0.99974 -0.02125 0.00635 0.02120 0.99976 1 0.01069 0.00554 0.00472 0.22277 0.11539 0.09837 30.90 37.55 52.13 57.51 82.44 99.43 110.82 124.69 157.46 174.99 220.47 232.34 240.90 285.72 295.80 328.25 358.44 365.39 380.46 397.68 404.20 458.32 485.06 511.93 522.31 559.97 579.97 601.89 632.72 668.23 696.53 708.34 734.94 771.37 815.05 832.63 862.55 874.49 932.49 956.61 974.79 984.94 1017.29 1042.85 1102.27 1126.78 1147.27 1168.26 1206.44 1217.41 1240.17 1263.64 1292.45 1320.05 1352.13 1378.58 1392.31 1405.18 1424.18 1435.81 1450.94 1460.69 1478.06 1483.72 1522.69 1537.38 1581.84 1592.36 1628.72 1637.43 1638.41 1643.85 1648.73 1668.74 1699.53 1704.65 1724.09 1745.14 1758.28 1789.14 1797.95 1799.78 1813.88 1857.89 1859.93 1871.27 1899.18 1905.05 1905.72 1913.40 1936.25 1955.29 1962.63 1997.18 2012.16 2028.04 2044.62 2064.19 2070.11 2107.02 2122.74 2144.91 2189.62 2199.47 2229.77 2245.06 2276.81 2286.63 2290.35 2307.08 2315.06 2318.65 2342.92 2352.52 2354.11 2361.01 2365.37 2369.28 2374.73 2376.36 2383.46 2385.24 2388.50 2405.01 2428.42 2517.64 2547.40 2578.00 2584.44 2635.91 4596.62 4628.75 4648.32 4670.31 4723.23 4726.18 4732.05 4754.33 4758.21 4758.28 4811.57 4817.46 4819.10 4823.89 4865.88 4869.77 4874.61 4881.43 4897.48 4898.32 4912.72 4921.34 4943.36 4969.23 4984.65 5284.12 0.490190 0.513790 0.514734 0.434984 -1603.481188 -1603.457587 -1603.456643 -1603.536393 2.674828D-04 MUNgauss RevisionA2.0 retrievium 09-Aug-2020 DUDE COc1ccc(c(c1)C[NH+]2CCCn3cccc3[C@@H]2c4ccccc4Cl)OC C35790154 RHF 6-31G(d) (6D,10F) C1 397.168281 |X|Y|Z| 84.269064 55.161493 40.367116 57.250238 23 6 7 21 2 |36.858105| |13.551582|73.516695| |8.010627|25.256862|36.858105| |6.690786|13.994087|13.800702|36.858105| |4.492355|9.225013|7.909690|13.656898|36.858105| |3.780270|8.204512|6.826864|7.923373|13.853179|36.858105| |3.977462|9.420501|7.887913|6.868123|7.940774|13.600782|36.858105| |5.255593|14.617902|13.641238|7.969676|6.903259|7.937088|13.840542|36.858105| |3.113219|7.028134|5.016801|4.450972|5.043366|7.569717|12.632681|7.603393|36.858105| |2.681791|5.794301|3.982978|3.742302|4.346900|6.180682|7.590980|5.303124|12.587929|53.358707| |2.636770|5.578491|3.903603|3.882526|4.801214|7.108959|7.307788|4.920209|9.468868|25.674548|0.500000| |2.794664|6.053604|4.054527|3.721404|4.095233|5.281988|6.452936|5.246378|7.716605|17.238548|0.256918|36.858105| |2.354144|4.876039|3.139639|2.997768|3.294384|3.970899|4.338876|3.730632|4.933170|10.182954|0.187596|12.489780|36.858105| |2.159833|4.367246|2.840137|2.842407|3.253886|3.906108|3.911274|3.259599|4.335958|8.822412|0.195463|7.461622|12.507452|36.858105| |1.973787|3.979934|2.575340|2.573484|2.962981|3.608668|3.624589|2.980096|4.279742|8.715060|0.194309|5.914427|7.702191|13.111766|53.358707| |1.748629|3.459046|2.205257|2.233202|2.554535|2.997648|2.936659|2.480928|3.345902|6.076744|0.135802|4.163097|5.155592|7.725633|19.023738|36.858105| |1.648173|3.256604|2.064213|2.079560|2.366837|2.779880|2.749046|2.329371|3.203592|5.564235|0.121615|3.602902|4.115071|5.285769|11.681603|14.062436|36.858105| |1.766965|3.544486|2.262193|2.243849|2.555966|3.094164|3.152187|2.620684|3.898213|6.916856|0.146264|4.124762|4.426781|5.231370|11.694626|8.569083|13.445069|36.858105| |1.992057|4.064448|2.634923|2.587705|2.970413|3.722203|3.883078|3.133785|5.012350|10.382996|0.214966|5.849585|6.293278|7.427331|18.751353|8.562245|8.470241|13.966043|36.858105| |2.229222|4.678503|3.055138|2.888310|3.259635|4.234958|4.855449|3.838760|7.326626|16.761081|0.254558|7.579564|6.534867|6.031181|10.143611|5.180084|5.111746|7.368251|12.602429|36.858105| |2.187231|4.596522|2.929576|2.711100|2.959964|3.704512|4.358822|3.668776|6.212518|12.482874|0.186214|7.828403|7.154102|5.742514|8.861641|4.682997|4.522748|6.009491|8.926445|17.719025|0.500000| |2.133406|4.456852|2.872217|2.701474|3.011531|3.841529|4.416353|3.584994|6.698472|10.146214|0.174949|5.037701|4.318306|4.116056|6.762327|4.035588|4.361546|6.383935|7.542842|12.539069|0.250499|36.858105| |2.057554|4.229416|2.744708|2.661064|3.034074|3.847147|4.134977|3.318839|5.711215|7.957601|0.158090|4.057394|3.559425|3.626649|6.001714|3.825115|4.300969|6.132282|6.279089|7.510916|0.156138|13.647241|36.858105| |1.926169|3.910883|2.484251|2.403032|2.676479|3.247410|3.470732|2.931279|4.448792|5.744049|0.113975|3.205316|2.851552|2.872933|4.579485|3.061876|3.461965|4.535924|4.380822|4.994791|0.116754|7.862655|13.807466|36.858105| |1.865301|3.791349|2.352695|2.225039|2.402638|2.850068|3.147262|2.777321|4.003029|5.061516|0.096464|2.970424|2.647818|2.579441|4.012188|2.683696|2.990115|3.810900|3.739587|4.411955|0.111127|6.806997|7.962195|13.734550|36.858105| |1.920076|3.949917|2.429423|2.246369|2.388746|2.844127|3.262095|2.924969|4.296427|5.493127|0.099681|3.286892|2.909757|2.730451|4.203895|2.745796|3.003062|3.859884|3.949019|4.983533|0.133276|7.860833|6.902058|7.950627|13.800600|36.858105| |2.053456|4.286747|2.677197|2.458230|2.639072|3.230840|3.806972|3.318319|5.422195|7.354463|0.125743|4.236853|3.680083|3.357086|5.229693|3.258957|3.504326|4.710701|5.180001|7.494158|0.204481|13.690267|7.994232|6.897331|7.957346|13.735724|36.858105| |2.046479|4.285305|2.602137|2.334366|2.429972|2.892252|3.475926|3.211977|4.661131|6.523137|0.108463|4.349740|3.866276|3.280891|4.838231|2.999317|3.090409|3.874710|4.401804|6.114367|0.211283|6.930380|4.738462|4.225721|4.794585|7.118870|10.898590|448.794386| |2.978808|6.173515|4.588575|5.168179|7.840532|13.962618|8.150004|5.282078|6.956721|9.178026|0.256453|5.181431|4.147804|4.438540|5.849199|3.564654|3.311053|3.698574|4.457549|4.780043|0.109713|4.278168|4.504790|3.640707|3.046219|2.968908|3.395012|23.431705|73.516695| |2.687284|5.300982|3.767733|4.479768|6.656684|7.942680|5.235535|3.976683|4.619533|6.291397|0.163759|3.858458|3.378223|3.786566|5.079989|3.319457|3.113503|3.318569|3.742861|3.726048|0.087832|3.452332|3.787060|3.216310|2.684857|2.554324|2.820615|19.590961|23.981381|36.858105| |17.573390|16.428161|7.058484|6.696650|4.560471|3.738705|3.796764|4.778572|2.984691|3.474051|0.070566|2.584580|2.191688|2.048228|2.582737|1.694685|1.609449|1.725318|1.926153|2.140833|0.057693|2.079235|2.040667|1.929825|1.859961|1.888310|1.995046|15.676255|5.281010|2.737480|0.500000| |17.668327|16.982600|5.889437|4.890019|3.606882|3.179744|3.412861|4.422192|2.800061|3.316579|0.065824|2.555327|2.182834|1.989282|2.487596|1.628089|1.541217|1.650772|1.848965|2.069222|0.057043|1.993412|1.911535|1.805588|1.771153|1.834761|1.949031|15.820547|4.604750|2.347317|0.299938|0.500000| |17.570588|16.423315|7.019826|6.684742|4.547100|3.720018|3.772923|4.746928|2.956056|3.580158|0.072672|2.795212|2.393412|2.209938|2.709536|1.768093|1.650337|1.750451|1.976874|2.179696|0.059442|2.051862|1.977583|1.835672|1.765148|1.815771|1.955872|15.692263|5.264212|2.707765|0.298430|0.300001|0.500000| |7.383048|12.449305|8.896151|17.769750|8.960948|5.666833|4.953980|5.645738|3.559821|4.230150|0.089736|3.127915|2.625757|2.520813|3.115684|2.024821|1.889432|2.010896|2.279809|2.492197|0.065538|2.348097|2.329935|2.136686|1.991080|2.000648|2.160841|16.592267|7.443795|3.900913|0.220853|0.144824|0.222278|0.500000| |3.906774|7.459818|5.657402|8.955795|17.763443|8.919478|5.634951|4.971630|4.097264|5.090659|0.117361|3.527194|2.990252|3.064157|3.826387|2.484947|2.302007|2.437260|2.773701|2.931653|0.073810|2.721796|2.797934|2.493268|2.222621|2.181514|2.382249|17.537250|12.462669|7.357042|0.112910|0.088942|0.112786|0.218880|0.500000| |4.886965|13.583612|8.969251|5.681899|4.968634|5.630834|8.911298|17.725636|6.999290|6.749608|0.121370|5.056995|3.628042|3.069822|3.859988|2.367039|2.241380|2.539414|3.021063|3.787856|0.104350|3.598749|3.229506|2.894388|2.831993|3.068930|3.485750|28.249164|7.570462|3.319444|0.120743|0.121947|0.119858|0.124470|0.107860|0.500000| |3.092688|7.084746|4.756984|3.981949|4.187083|5.572646|8.848176|7.296952|17.652264|12.320410|0.182994|7.082222|4.650217|3.871261|5.192450|3.035764|2.935834|3.564855|4.469329|6.697291|0.178139|6.486812|5.130985|4.227063|4.083408|4.671187|6.015639|45.035032|8.898455|3.667374|0.081227|0.079035|0.080401|0.090588|0.096083|0.222753|0.500000| |2.846917|6.222348|4.344847|4.032368|4.675091|6.824488|8.945500|5.965572|17.723267|12.392043|0.227195|5.639432|4.116491|3.868465|5.517342|3.282571|3.263218|4.062254|4.961272|6.941687|0.153957|7.672969|7.416501|5.656546|4.802619|4.871171|5.893389|36.091952|12.473410|4.833435|0.077802|0.071474|0.074646|0.091737|0.109458|0.153050|0.302131|0.500000| |3.182058|6.963378|4.843673|4.494643|4.964694|6.334813|7.513628|6.157348|7.174117|12.459754|0.230398|17.670605|8.858300|6.485806|6.733159|3.697949|3.189992|3.525859|4.698280|5.580558|0.151937|4.154766|3.578915|2.910065|2.683253|2.894140|3.557906|28.762041|10.187966|4.208572|0.080800|0.079179|0.089895|0.102704|0.115689|0.153908|0.174504|0.146252|0.500000| |2.847256|6.275080|4.048057|3.529034|3.684898|4.568178|5.965448|5.375660|7.318813|12.419673|0.181820|17.620643|8.813430|5.491119|6.422933|3.535962|3.177770|3.668247|4.914723|6.725186|0.218481|4.902883|3.823789|3.118900|3.001023|3.435311|4.466434|40.214051|7.603058|3.286970|0.072280|0.073542|0.077935|0.082994|0.087634|0.157256|0.223406|0.147864|0.302466|0.500000| |2.398528|4.914964|3.108344|2.968606|3.180206|3.661603|3.947123|3.571841|4.174161|7.586511|0.144877|9.055951|17.569540|8.913951|7.691730|4.270447|3.446801|3.570786|4.659955|4.799339|0.145478|3.499912|2.978798|2.468923|2.322091|2.537205|3.105037|26.761409|6.543862|3.086714|0.061302|0.062019|0.068747|0.073230|0.080681|0.096784|0.111591|0.097323|0.227512|0.207184|0.500000| |2.151550|4.431260|2.786346|2.627478|2.836599|3.372092|3.745240|3.306191|4.428876|8.654815|0.152878|8.765094|17.594516|8.898358|9.910590|5.114932|4.235274|4.627043|6.416894|6.701602|0.233869|4.460732|3.547898|2.868234|2.719376|3.060267|3.935548|35.037617|6.261825|2.934328|0.055819|0.056182|0.060201|0.064646|0.071977|0.092166|0.121938|0.105817|0.174285|0.219713|0.304720|0.500000| |2.312774|4.660418|3.098833|3.198743|3.793091|4.571268|4.302691|3.499613|4.488090|8.753670|0.217487|7.058483|8.816594|17.508288|12.345344|6.388680|4.650797|4.602973|6.180512|5.316398|0.133809|3.845843|3.542309|2.824211|2.499140|2.591729|3.118795|23.848870|9.530489|4.589015|0.061170|0.058370|0.066304|0.078386|0.100349|0.088551|0.106966|0.111349|0.195609|0.141130|0.205581|0.173963|0.500000| |1.989652|3.952865|2.518084|2.533526|2.845353|3.271625|3.244669|2.810558|3.492215|6.475175|0.140131|5.523419|8.914979|17.636980|12.666825|7.473845|4.950831|4.520208|5.688393|4.631824|0.127660|3.413369|3.065208|2.511492|2.286782|2.413670|2.895517|23.208363|6.462842|3.260318|0.052394|0.051299|0.056979|0.063681|0.075803|0.074237|0.089095|0.088132|0.140684|0.123800|0.225052|0.207875|0.303831|0.500000| |1.685249|3.296756|2.087268|2.132934|2.425335|2.771861|2.677342|2.303575|2.941036|5.157722|0.115304|3.719039|4.692957|7.069683|12.257861|17.797165|8.647589|5.812834|5.889713|4.121273|0.107066|3.311942|3.170012|2.624289|2.333924|2.382562|2.770716|20.987153|5.759029|3.102925|0.045322|0.043638|0.047733|0.054322|0.066380|0.060893|0.074650|0.079401|0.094986|0.088465|0.114701|0.126853|0.170040|0.223466|0.500000| |1.515072|2.963553|1.860671|1.882110|2.125114|2.445061|2.402385|2.070410|2.743326|4.546754|0.098685|2.996683|3.366351|4.157053|7.969725|8.784028|17.803360|8.543014|5.801045|4.032173|0.101802|3.663460|3.724594|3.158452|2.759618|2.729101|3.070498|21.887292|5.109600|2.780904|0.041275|0.039515|0.042150|0.047997|0.057994|0.055496|0.070635|0.078315|0.075276|0.074986|0.081167|0.096430|0.105007|0.112731|0.197301|0.500000| |1.700689|3.406077|2.156736|2.126143|2.397729|2.880287|2.966616|2.497139|3.697320|6.102786|0.125532|3.607173|3.699911|4.103578|7.973304|5.852394|8.579227|17.824822|8.770673|6.474175|0.150345|6.845925|7.053754|5.401257|4.483547|4.423174|5.201782|32.244795|6.018372|3.063143|0.046373|0.044338|0.046439|0.053104|0.063448|0.067875|0.095832|0.110735|0.086716|0.092384|0.085211|0.108364|0.103479|0.100619|0.123475|0.196888|0.500000| |2.064702|4.207484|2.770255|2.764126|3.253951|4.173355|4.212491|3.289821|5.496520|8.089558|0.178510|4.082201|3.644133|3.922994|6.633170|4.275421|4.809231|6.721999|6.790079|6.997651|0.141463|8.921178|17.738833|8.973132|5.665375|4.968829|5.672716|31.328415|9.384965|4.528261|0.057128|0.052814|0.055644|0.067261|0.084756|0.086281|0.128758|0.194557|0.102323|0.102318|0.084606|0.097970|0.109497|0.091275|0.097551|0.114255|0.200028|0.500000| |1.846914|3.697333|2.344841|2.311238|2.589868|3.078165|3.168516|2.697195|3.830713|4.942393|0.101658|2.832308|2.554818|2.627426|4.151483|2.855196|3.237482|4.041747|3.804725|4.083212|0.096602|5.617856|8.945531|17.737534|8.898028|5.650635|4.966234|27.396932|6.202756|3.220031|0.051917|0.048015|0.048990|0.057679|0.068197|0.072960|0.099324|0.133281|0.073104|0.075755|0.062333|0.070585|0.072896|0.064605|0.068992|0.084067|0.131649|0.216789|0.500000| |1.753798|3.521494|2.155904|2.047022|2.186763|2.531706|2.756195|2.491050|3.345352|4.206866|0.081339|2.554823|2.304755|2.254062|3.455185|2.356780|2.616662|3.205582|3.105782|3.533067|0.091008|4.919062|5.654486|8.895563|17.735348|8.955038|5.659367|31.841902|4.754467|2.414855|0.048876|0.046539|0.045997|0.051474|0.056692|0.070675|0.095063|0.108918|0.065201|0.071926|0.057087|0.065610|0.061030|0.056332|0.057855|0.068477|0.103459|0.124429|0.213907|0.500000| |1.838110|3.758374|2.265523|2.078476|2.170088|2.526884|2.899620|2.690268|3.663967|4.668963|0.084936|2.937381|2.633221|2.442417|3.682936|2.435213|2.634701|3.261408|3.328208|4.077985|0.114302|5.624726|4.970395|5.646759|8.910983|17.758385|8.942857|55.147258|4.596038|2.252941|0.050108|0.049318|0.048147|0.051894|0.055184|0.079758|0.113372|0.110914|0.072595|0.086958|0.064984|0.077562|0.064284|0.060930|0.059645|0.067462|0.101853|0.107849|0.124044|0.215116|0.500000| |2.346564|4.607347|3.169170|3.597409|4.870489|5.845131|4.404798|3.408748|4.257502|6.106989|0.160589|3.659449|3.330716|3.885996|5.505059|3.706649|3.542503|3.740766|4.085686|3.856532|0.089289|3.604201|4.097295|3.439167|2.797270|2.621096|2.886702|19.676842|16.906186|17.657632|0.066137|0.057959|0.065470|0.088816|0.144479|0.081918|0.095383|0.127449|0.106146|0.086569|0.083140|0.081685|0.128633|0.093260|0.095151|0.088024|0.095485|0.143289|0.097099|0.069662|0.063680|0.500000| |2.750790|5.348812|3.776761|4.587855|6.691617|7.138330|4.862715|3.862987|4.202690|5.359459|0.130753|3.325182|2.895755|3.139356|4.251892|2.828610|2.718826|2.914172|3.203253|3.265423|0.078254|3.163534|3.531377|3.133003|2.633748|2.468441|2.656138|18.394145|16.441161|17.600157|0.079764|0.066496|0.076088|0.113175|0.215429|0.089659|0.095174|0.125680|0.100135|0.081543|0.074430|0.071373|0.101628|0.076598|0.073750|0.068729|0.076773|0.114280|0.088985|0.066804|0.060893|0.299578|0.500000| 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