Version2.0 2020-04-15T09:19:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 28-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(cc1)[C@H]2[C@H]3C(=c4cc(ccc4=[NH+]3)OC)CCN2C(=O)Nc5ccc6c(c5)OCCO6 C63573096 RHF 6-31G(d) (6D,7F) COc1ccc(cc1)[C@H]2[C@H]3C(=c4cc(ccc4=[NH+]3)OC)CCN2C(=O)Nc5ccc6c(c5)OCCO6 C01[X(C28H28N3O5)] 186 C1 596 COc1ccc(cc1)[C@@H]1N(CCC2=c3c(=[NH+][C@@H]12)ccc(c3)OC)C(=O)Nc1ccc2c(c1)OCCO2 COc1ccc(cc1)[C@@H]1N(CCC2=c3c(=[NH+][C@@H]12)ccc(c3)OC)C(=O)Nc1ccc2c(c1)OCCO2 COc1ccc(cc1)[C@H]2[C@@H]3[NH+]=C4C=CC(=CC4=C3CCN2C(=O)Nc5ccc6OCCOc6c5)OC InChIKey=LOOYTXGGGSIDJJ-SXOMAYOGSA-O InChI=1S/C28H27N3O5/c1-33-19-6-3-17(4-7-19)27-26-21(22-16-20(34-2)8-9-23(22)30-26)11-12-31(27)28(32)29-18-5-10-24-25(15-18)36-14-13-35-24/h3-10,15-16,26-27H,11-14H2,1-2H3,(H,29,32)/p+1/t26-,27+/m1/s1 InChI=1/C28H27N3O5/c1-33-19-6-3-17(4-7-19)27-26-21(22-16-20(34-2)8-9-23(22)30-26)11-12-31(27)28(32)29-18-5-10-24-25(15-18)36-14-13-35-24/h3-10,15-16,26-27H,11-14H2,1-2H3,(H,29,32)/p+1/t26-,27+/m1/s1/fC28H28N3O5/h29-30H/q+1 COc1ccc(cc1)[C@H]2[C@H]3C(=c4cc(ccc4=[NH+]3)OC)CCN2C(=O)Nc5ccc6c(c5)OCCO6 C01[X(C28H28N3O5)] 186 C01 596 COc1ccc(cc1)[C@@H]1N(CCC2=c3c(=[NH+][C@@H]12)ccc(c3)OC)C(=O)Nc1ccc2c(c1)OCCO2 COC1=CC2=C3CCN([C@H]([C@@H]3N[C@@H]2C=C1)c1ccc(cc1)OC)C(=O)Nc1ccc2c(c1)OCCO2 COc1ccc(cc1)[C@H]2[C@@H]3N[C@@H]4C=CC(=CC4=C3CCN2C(=O)Nc5ccc6OCCOc6c5)OC InChIKey=APJIAMCEJHLGBT-MVNQZMKCSA-N InChI=1S/C28H29N3O5/c1-33-19-6-3-17(4-7-19)27-26-21(22-16-20(34-2)8-9-23(22)30-26)11-12-31(27)28(32)29-18-5-10-24-25(15-18)36-14-13-35-24/h3-10,15-16,23,26-27,30H,11-14H2,1-2H3,(H,29,32)/t23-,26-,27+/m1/s1 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43.6465 11.6417 25.7398 41.0034 5.1073 53.0580 1.1652 43.5565 35.5184 15.0213 17.5767 55.9194 29.4465 30.0623 14.4897 18.6195 7.4083 8.1806 4.2629 0.0230 2.8629 6.8574 0.0574 5.4022 1.4278 173.6132 38.2980 3.2833 2.7295 1.5219 1.8413 1.2449 5.8286 1.5822 1.6551 1.5958 0.6122 0.6392 1.7012 1.3375 1.5101 1.9391 1.0233 0.4704 2.1750 2.8639 1.9181 1.0335 1.0461 0.2826 0.9237 0.9073 0.5294 2.0368 1.7692 0.3140 5.1823 3.4042 0.5557 1.2767 5.3224 0.9245 0.2721 3.7395 1.1173 4.6354 1.6331 0.2816 1.3204 3.9745 5.6220 5.1617 3.8018 1.4854 1.3844 2.7496 4.5562 1.3748 3.5910 2.3966 5.9716 6.6485 3.4036 5.3288 0.8810 1.3692 7.3955 18.9389 1.3888 3.1561 14.9841 9.6248 6.6987 2.5631 14.7134 1.4854 6.1540 1.9912 1.8892 9.5637 1.5675 14.7531 3.3239 3.3390 3.7350 6.4755 10.0379 7.2633 0.3706 4.1789 1.0965 0.3167 1.2082 7.0588 2.0856 10.0268 76.9899 7.5652 26.9121 4.4366 8.2332 4.7496 3.4442 14.4882 16.2771 5.1447 12.6290 14.5800 14.4234 26.6135 4.4532 4.0357 15.5273 14.7731 9.2764 9.1889 31.9360 6.0988 6.2973 61.7764 29.0210 5.5508 4.4583 3.6683 61.5552 32.7121 41.6631 10.1588 29.9664 5.0067 6.9716 95.6562 7.6061 54.7543 62.2604 11.4587 3.4491 7.5247 3.0771 121.0734 8.9021 26.6243 1.5664 104.3499 9.1841 6.5705 24.4305 24.3668 15.0324 19.7139 12.2405 8.0111 41.4682 535.2463 1.7193 2.4505 19.6573 34.0983 7.5351 35.2257 32.3363 125.8669 135.7977 175.4301 32.5577 52.3423 98.4697 33.0068 97.6141 153.3890 94.3205 43.3980 79.8854 41.4572 27.9479 74.3279 134.2879 193.9371 108.9339 144.2781 35.9747 165.8546 55.5302 35.7665 94.2333 63.1346 110.3078 90.8967 195.7843 48.9422 49.5019 56.5770 47.1951 0.7495 0.7480 0.7350 0.7425 0.7499 0.7499 0.7432 0.7325 0.7212 0.7429 0.6090 0.7025 0.4366 0.6767 0.4117 0.5671 0.5158 0.7482 0.2166 0.6830 0.3375 0.6042 0.3740 0.1986 0.4803 0.7371 0.2395 0.4233 0.7441 0.6999 0.2988 0.0256 0.5928 0.4996 0.2192 0.5188 0.1929 0.7373 0.4659 0.7263 0.7330 0.6088 0.6336 0.4919 0.2903 0.2894 0.1884 0.6774 0.2664 0.5777 0.6892 0.4740 0.7497 0.3988 0.3957 0.6128 0.6654 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0.4698 0.2264 0.0566 0.3816 0.1015 0.2300 0.2781 0.5176 0.4649 0.8504 0.8538 0.6306 0.5423 0.4623 0.7918 0.6475 0.5845 0.6224 0.4254 0.6333 0.4971 0.8499 0.3872 0.3913 0.3351 0.4144 0.3352 0.4542 0.2532 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 8 6 6 6 6 6 6 6 1 6 1 6 6 6 6 6 6 6 7 1 8 6 6 6 7 6 8 7 6 6 6 6 6 6 8 6 6 8 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 15.99491 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 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 11511.7885 36662.9419 45521.7452 0.99998 0.00617 -0.00165 -0.00615 0.99995 0.00791 0.00170 -0.00790 0.99997 1 0.00752 0.00236 0.00190 0.15677 0.04923 0.03965 9.70 22.86 31.31 44.12 53.77 66.69 81.39 103.21 121.65 132.88 155.48 182.84 194.14 207.43 222.17 242.60 248.33 266.67 296.41 317.74 360.97 380.22 387.94 391.52 411.27 437.71 467.84 479.09 507.16 525.68 564.37 607.87 616.20 636.81 657.15 671.58 689.49 722.65 729.71 731.88 742.31 756.09 783.44 805.19 823.96 844.82 876.24 883.35 896.08 909.48 925.04 939.73 993.46 1005.12 1015.42 1023.97 1056.63 1130.61 1139.43 1159.47 1171.92 1180.40 1206.75 1214.61 1236.51 1270.33 1279.84 1317.75 1340.41 1342.18 1355.26 1365.55 1369.24 1390.84 1395.28 1404.80 1439.58 1463.50 1481.16 1501.48 1527.84 1552.46 1558.00 1560.36 1583.78 1592.42 1620.04 1635.92 1655.84 1675.53 1685.62 1692.48 1697.82 1736.83 1741.47 1749.97 1758.40 1775.88 1791.42 1812.17 1827.12 1830.49 1842.32 1860.13 1860.96 1873.21 1888.89 1899.38 1909.23 1912.15 1915.88 1940.21 1954.36 1963.64 1980.88 2007.00 2020.61 2042.90 2043.88 2052.58 2058.48 2080.31 2092.96 2100.73 2112.97 2115.24 2121.07 2177.49 2203.18 2214.27 2216.16 2252.30 2272.29 2278.46 2280.72 2294.94 2330.33 2345.53 2346.44 2370.53 2375.59 2377.09 2379.22 2383.21 2384.93 2388.82 2406.84 2440.12 2444.27 2488.09 2521.92 2551.17 2579.59 2592.63 2613.26 2635.08 2674.88 2830.90 4605.84 4630.60 4637.33 4637.70 4642.92 4645.57 4656.67 4693.82 4728.79 4740.72 4741.75 4750.85 4772.21 4773.86 4816.65 4835.02 4839.75 4848.68 4849.25 4883.48 4892.79 4895.25 4912.16 4913.82 4929.39 4982.69 5556.26 5594.09 0.563986 0.592770 0.593714 0.500127 -1613.491409 -1613.462626 -1613.461681 -1613.555268 3.138923D-04 MUNgauss RevisionA2.0 retrievium 15-Apr-2020 DUDE COc1ccc(cc1)[C@H]2[C@H]3C(=c4cc(ccc4=[NH+]3)OC)CCN2C(=O)Nc5ccc6c(c5)OCCO6 C63573096 RHF 6-31G(d) (6D,10F) C1 486.202896 |X|Y|Z| 137.535101 75.749507 30.204213 68.017442 31 6 7 8 26 3 2 |36.858105| |13.554118|73.516695| |8.009268|25.335740|36.858105| |5.254478|14.625153|13.629916|36.858105| |3.987114|9.450296|7.928169|13.870504|36.858105| |3.774441|8.193034|6.803668|7.892190|13.622936|36.858105| |4.505611|9.264323|7.940004|6.906792|7.990147|13.778403|36.858105| |6.705529|14.025841|13.741200|7.927081|6.879299|7.871085|13.710262|36.858105| |2.915183|5.995746|4.414883|5.003405|7.492661|12.572808|7.570127|5.004938|36.858105| |2.803591|5.553063|3.992001|4.192042|5.576075|8.941164|7.403620|4.808597|17.538812|0.500000| |2.608546|5.351584|3.770013|4.355202|6.120975|7.584280|5.360898|4.040910|12.301981|0.246370|36.858105| |2.634864|5.540638|3.873987|4.766261|6.870956|7.051432|4.857645|3.901502|8.805725|0.174104|17.570987|0.500000| |2.176685|4.344956|2.929504|3.285584|4.251051|4.964598|3.944567|3.129276|7.588298|0.191459|12.779694|0.249248|36.858105| |2.039857|3.991951|2.638868|2.860282|3.506078|4.069767|3.498572|2.850445|5.502575|0.154680|8.186979|0.174639|14.086872|36.858105| |1.776133|3.417989|2.203944|2.350367|2.772998|3.129903|2.806346|2.366767|3.967950|0.114527|5.067702|0.120051|7.421001|13.180430|36.858105| |1.703899|3.237512|2.060400|2.156796|2.476524|2.775046|2.576608|2.219326|3.332588|0.097470|4.100541|0.099683|5.142999|7.969837|14.183888|36.858105| |1.831285|3.463721|2.204049|2.275102|2.580166|2.906214|2.759726|2.393280|3.364941|0.098839|4.157397|0.100987|4.662742|6.893772|7.822877|13.047296|36.858105| |2.096375|4.002895|2.590196|2.673107|3.063922|3.511976|3.326950|2.839869|4.028751|0.117627|5.195449|0.122957|5.306037|7.648351|6.578920|7.687804|14.153345|36.858105| |2.258015|4.413771|2.940413|3.128266|3.779511|4.463635|3.962805|3.224439|5.563362|0.158069|8.392099|0.178021|8.491788|13.191079|7.603810|6.796216|8.076315|13.375958|36.858105| |2.640519|5.297568|3.667908|3.983572|5.051131|6.214882|5.190464|4.041740|7.594873|0.197748|13.163496|0.254094|8.318526|8.415332|5.273975|4.650194|5.268206|7.716527|14.539152|53.358707| |2.947894|5.933171|4.147119|4.384171|5.330134|6.458456|5.771284|4.612062|6.582262|0.172606|8.798973|0.206389|5.848204|5.900189|4.217471|3.940334|4.642131|6.792946|9.255109|25.991396|0.500000| |1.529069|2.877384|1.803922|1.874499|2.112196|2.329804|2.196750|1.930958|2.722629|0.079492|3.196897|0.080137|3.863463|5.194712|7.947461|14.319522|8.230396|5.310330|4.626471|4.784859|0.086393|73.516695| |1.417874|2.669209|1.666016|1.740580|1.960280|2.141525|2.006006|1.770437|2.512097|0.072816|2.882934|0.073305|3.553472|4.442256|6.687085|8.039503|5.226835|3.945108|3.741733|4.092547|0.074034|24.016215|36.858105| |2.021157|4.029394|2.679582|3.034147|3.882751|4.338891|3.461447|2.812027|6.374896|0.159172|7.507098|0.184094|12.801551|7.308537|5.671219|4.079462|3.561754|3.792583|5.123576|7.027705|0.114981|5.913267|3.275537|36.858105| |2.175745|4.334037|2.925359|3.283592|4.265392|5.003724|3.961175|3.129000|7.773350|0.197677|6.626058|0.158805|7.802592|5.279687|4.256558|3.333640|3.043850|3.292120|4.280355|6.271275|0.108057|4.986010|2.755474|12.397813|36.858105| |2.592369|5.314716|3.744664|4.365369|6.224421|7.655441|5.304594|3.993459|12.978007|0.250516|7.905305|0.196205|6.792304|4.708547|3.644926|2.998194|2.889658|3.264596|4.278153|6.968015|0.124579|4.478398|2.410516|7.678321|12.955864|53.358707| |2.689825|5.440015|3.793170|4.242881|5.541852|6.625163|5.245516|4.090020|7.937981|0.194422|5.118263|0.132030|4.556603|3.560159|2.942401|2.515587|2.446757|2.718919|3.351077|5.299473|0.100441|3.870895|2.103562|5.097462|8.067133|17.969864|36.858105| |2.758991|5.408812|3.750685|3.910328|4.796413|6.132702|5.590404|4.293439|6.931599|0.201523|4.500223|0.111887|4.048885|3.345214|2.816853|2.457481|2.415410|2.678378|3.223042|5.019345|0.096899|3.807399|2.058863|4.291448|6.329159|11.250178|15.953263|73.516695| |2.549153|5.193928|3.492490|4.016915|4.964699|5.099994|4.155912|3.538588|5.466988|0.132213|4.126858|0.114235|3.776405|3.013706|2.565155|2.214610|2.143722|2.348547|2.827216|4.391905|0.084448|3.467373|1.908252|4.376208|6.176223|11.269685|14.184150|14.902718|53.358707| |2.432325|4.844681|3.126764|3.451916|3.909035|3.930725|3.482657|3.139002|3.979276|0.101939|3.171131|0.087915|2.959294|2.474964|2.173586|1.916500|1.861390|2.014132|2.350188|3.575062|0.070045|3.056640|1.693500|3.353244|4.382209|7.035199|7.649224|11.454220|18.288526|36.858105| |2.445495|4.722201|3.005124|3.143449|3.433113|3.590473|3.399071|3.110711|3.571902|0.096237|2.832153|0.076697|2.651286|2.281773|2.029307|1.815420|1.774917|1.913786|2.195253|3.307882|0.065516|2.917073|1.613196|2.917047|3.759409|5.840383|6.279288|11.533135|10.477312|13.722507|36.858105| |2.236129|4.237432|2.602205|2.682878|2.825191|2.886090|2.793291|2.651331|2.839213|0.077042|2.352585|0.064308|2.228638|1.959712|1.774547|1.607332|1.573077|1.680646|1.893212|2.814719|0.056154|2.615422|1.453725|2.432956|2.987932|4.469583|4.318215|7.906840|6.974754|7.972124|13.757713|36.858105| |2.066028|3.943724|2.381953|2.501971|2.609910|2.581978|2.456675|2.362155|2.540551|0.067793|2.171235|0.060403|2.071060|1.823764|1.662127|1.506992|1.470273|1.563570|1.755100|2.597671|0.051799|2.464540|1.376820|2.278056|2.718895|4.016110|3.675604|6.372709|6.181136|6.854071|7.897108|13.799948|36.858105| |2.061977|4.022612|2.446328|2.655241|2.807290|2.704861|2.491894|2.378920|2.678743|0.069772|2.315534|0.065522|2.209680|1.919065|1.739272|1.563911|1.519115|1.618011|1.832714|2.723934|0.054013|2.547671|1.425903|2.469380|2.929745|4.353045|3.904982|6.366622|7.072657|7.925321|6.851901|7.975853|13.708556|36.858105| |2.219897|4.425060|2.768759|3.096847|3.399700|3.256278|2.890679|2.690716|3.266791|0.083046|2.768405|0.078802|2.620623|2.218687|1.977497|1.753653|1.698236|1.822346|2.102149|3.162374|0.062156|2.824195|1.575809|2.983721|3.650367|5.592607|5.183214|7.858756|10.879521|13.733765|7.930342|6.923635|7.940395|13.790935|36.858105| |1.879343|3.659054|2.186843|2.383510|2.487144|2.358205|2.172711|2.098670|2.335756|0.060699|2.082929|0.059608|2.003969|1.757421|1.608157|1.453393|1.410046|1.493404|1.677909|2.474565|0.049144|2.383748|1.339633|2.233242|2.556305|3.728345|3.164632|5.148601|5.482649|5.257422|4.610820|5.237104|7.958784|14.092342|8.113972|73.516695| |1.777123|3.403452|1.996260|2.130612|2.176354|2.074957|1.954567|1.918313|2.034255|0.053546|1.827042|0.052020|1.757182|1.565723|1.444467|1.319573|1.286509|1.358384|1.507793|2.211786|0.044245|2.179002|1.223844|1.925339|2.174098|3.153184|2.649477|4.446098|4.357013|4.034938|3.872926|4.679828|7.060260|8.178787|5.304753|24.008476|36.858105| |1.710044|3.224616|1.896142|1.986029|2.036770|1.988955|1.902314|1.858318|1.966547|0.052637|1.752425|0.049177|1.697863|1.523614|1.414707|1.296221|1.261877|1.326737|1.465621|2.135886|0.042680|2.148624|1.209434|1.858080|2.118666|3.031642|2.583111|4.457898|4.138689|3.884246|4.035869|5.309042|8.198742|7.074850|4.688060|14.150117|12.584019|36.858105| |1.886384|3.543005|2.096689|2.171395|2.225596|2.198940|2.125739|2.075700|2.156910|0.058091|1.881600|0.052359|1.806055|1.615864|1.489721|1.363972|1.333270|1.409410|1.561957|2.290906|0.045895|2.249962|1.259846|1.965547|2.286524|3.320590|2.922441|5.150514|4.671250|4.606948|5.233185|8.060757|14.049583|7.956145|5.223107|12.072717|7.976592|13.542501|73.516695| |17.666533|16.988508|5.893399|4.425388|3.420523|3.176260|3.615986|4.897945|2.538866|0.067649|2.317553|0.065658|1.966768|1.851282|1.629805|1.569269|1.680268|1.903361|2.032099|3.185345|0.071835|2.523334|1.321929|1.842196|1.965340|3.138587|2.386871|4.310345|3.139325|2.231095|2.237834|2.084349|1.955339|1.954465|2.076861|3.209080|1.724170|1.652161|3.213315|0.500000| |17.571272|16.423236|7.001078|4.731509|3.773940|3.708663|4.552207|6.696244|2.901729|0.078709|2.638743|0.073190|2.199934|2.094133|1.824742|1.768382|1.926540|2.221988|2.359532|3.747110|0.086914|2.818117|1.457708|2.009575|2.139864|3.431576|2.567623|4.716834|3.252574|2.252969|2.266199|2.065124|1.902907|1.898293|2.048462|3.082968|1.638247|1.585859|3.096631|0.300027|0.500000| |17.578386|16.431094|7.063576|4.786924|3.812104|3.737084|4.577469|6.711361|2.917161|0.079085|2.541935|0.070354|2.143953|2.001285|1.749915|1.672973|1.783871|2.026384|2.189155|3.456904|0.077526|2.675942|1.402615|2.013495|2.206013|3.575284|2.805041|5.228816|3.611437|2.575642|2.652596|2.433067|2.214546|2.173383|2.322425|3.482232|1.860573|1.808331|3.594075|0.299891|0.298495|0.500000| |4.875968|13.530575|8.944738|17.743993|8.910244|5.614231|4.971861|5.658592|4.071453|0.096101|3.739862|0.116882|2.940819|2.581648|2.160482|1.991085|2.087808|2.416559|2.783057|4.671345|0.103302|3.108537|1.634532|2.769288|2.938140|5.118075|3.663158|5.932514|4.968605|3.230001|2.909700|2.546464|2.435783|2.620548|3.019929|4.269706|2.155243|1.977559|3.794538|0.121809|0.119290|0.120779|0.500000| |3.336698|7.648018|5.652199|9.014941|17.702010|8.857920|5.660307|4.954411|6.916407|0.139550|6.310811|0.222066|4.511048|3.596256|2.844484|2.499459|2.554138|2.986669|3.726391|6.592548|0.134656|3.792122|1.999304|4.269871|4.547683|8.964884|5.472133|7.894509|7.119789|4.000249|3.358253|2.778663|2.627093|2.907946|3.594885|4.639362|2.247600|2.073497|3.968839|0.082459|0.087803|0.088739|0.216102|0.500000| |3.910663|7.473813|5.661167|4.969619|5.661370|8.935818|17.711833|8.962968|7.026046|0.228888|5.020259|0.119941|3.916393|3.578678|2.907858|2.691132|2.890085|3.462670|4.053224|6.888166|0.151897|4.080921|2.087711|3.419802|3.953367|6.772098|4.997585|10.253938|5.243865|3.284996|3.306868|2.728578|2.368299|2.363595|2.707586|3.657876|1.863154|1.840500|3.667939|0.089019|0.112620|0.113217|0.107850|0.124087|0.500000| |7.409631|12.481930|8.870321|5.627277|4.959757|5.637288|8.949451|17.769742|4.101302|0.114954|3.416478|0.090545|2.761797|2.581274|2.192693|2.088615|2.264987|2.655571|2.919331|4.786136|0.110806|3.268382|1.684933|2.496277|2.762194|4.592281|3.511417|6.761766|4.182760|2.814958|2.872935|2.504519|2.222720|2.199344|2.433217|3.465532|1.807748|1.770705|3.524811|0.145188|0.223283|0.221448|0.124105|0.107624|0.218098|0.500000| |1.664599|3.201081|2.050694|2.197502|2.584431|2.875354|2.567821|2.183602|3.640934|0.104048|4.430781|0.108397|6.573635|8.729912|17.783616|8.981957|5.557288|4.802535|5.489385|5.832893|0.097975|12.397057|7.276464|5.954445|4.355160|4.826235|2.896025|4.889838|3.490903|2.184506|2.030903|1.782498|1.678155|1.762068|2.001723|2.906070|1.464358|1.436459|2.675624|0.042643|0.047126|0.045785|0.056594|0.074565|0.073612|0.056288|0.500000| |1.725130|3.226221|2.022959|2.064171|2.292512|2.548336|2.469256|2.189124|2.861130|0.083982|3.396676|0.084722|3.691980|4.967003|5.661834|8.836887|17.732883|9.056280|5.684465|5.706215|0.108066|13.884038|4.949152|2.971441|2.605805|3.394633|2.164262|3.828658|2.611820|1.691107|1.625115|1.454671|1.363238|1.402201|1.552631|2.324474|1.201187|1.180891|2.213582|0.044240|0.050643|0.046648|0.053030|0.062772|0.071926|0.058340|0.124003|0.500000| |2.197427|4.158181|2.667017|2.698408|3.010862|3.416395|3.349326|2.932781|3.696809|0.107462|4.540623|0.111247|4.303352|5.489635|4.800318|5.510040|8.987293|17.753162|8.724494|9.232692|0.191960|7.638273|3.311660|3.229291|2.908078|4.047971|2.539461|4.489771|3.007811|1.916835|1.834985|1.621242|1.508393|1.554093|1.738621|2.554364|1.314811|1.283804|2.427916|0.055377|0.065676|0.058497|0.067769|0.080065|0.096555|0.077120|0.105002|0.215427|0.500000| |1.432686|2.693166|1.687623|1.759225|1.991293|2.199495|2.063038|1.806086|2.616725|0.076940|2.934550|0.073572|3.673412|4.488297|6.680968|7.079873|4.731909|3.740328|3.676920|4.079474|0.073396|16.442843|17.580870|3.478897|2.971738|3.457100|2.229081|3.904552|2.733938|1.782496|1.704907|1.531826|1.443558|1.489816|1.648007|2.475731|1.270036|1.261639|2.343165|0.037003|0.040800|0.039614|0.045677|0.056260|0.060168|0.047785|0.217966|0.121417|0.087353|0.500000| |1.326215|2.480606|1.534715|1.593091|1.771954|1.921842|1.820767|1.626782|2.209879|0.064014|2.491899|0.064096|2.964061|3.581608|4.894097|5.907350|4.425939|3.411893|3.165909|3.555795|0.065665|16.959872|17.682791|2.765349|2.390217|2.891398|1.885607|3.300322|2.348079|1.549223|1.484960|1.349616|1.281746|1.322509|1.449375|2.218456|1.147040|1.135969|2.098649|0.034497|0.037921|0.036451|0.041756|0.050022|0.052635|0.043317|0.143322|0.124239|0.082437|0.299592|0.500000| |1.406141|2.665636|1.662969|1.756976|1.985785|2.140436|1.976199|1.748159|2.514289|0.071424|2.932519|0.075935|3.671448|4.489865|6.679348|7.078157|4.731663|3.739968|3.675977|4.074902|0.073308|16.442726|17.581128|3.451265|2.814832|3.333037|2.116360|3.628099|2.640802|1.715693|1.617556|1.457965|1.390204|1.451172|1.608875|2.435350|1.246975|1.225628|2.258606|0.036509|0.039976|0.038531|0.046111|0.056973|0.056424|0.045901|0.218205|0.121415|0.087342|0.297967|0.299590|0.500000| |1.825070|3.583053|2.338723|2.591512|3.186599|3.533083|2.964603|2.461914|4.843622|0.129969|5.500870|0.136709|8.892871|6.762348|6.188905|4.314636|3.557813|3.595241|4.584084|5.865882|0.098237|6.405278|3.704635|17.602983|8.795308|7.594452|4.213592|6.619031|5.067603|2.997803|2.665571|2.267521|2.133173|2.292571|2.709558|3.721579|1.820672|1.772746|3.311463|0.046530|0.050580|0.050665|0.066469|0.095485|0.082994|0.061908|0.203867|0.083077|0.084370|0.112249|0.085471|0.109791|0.500000| |1.993916|4.020104|2.650587|3.079974|3.930943|4.104163|3.229897|2.698183|5.532499|0.130998|6.650130|0.190279|9.025266|5.845021|4.731212|3.580673|3.189391|3.402900|4.457233|6.304814|0.106677|5.322204|2.968681|17.544742|8.834364|9.351386|4.724000|6.853798|5.954616|3.358261|2.842450|2.395562|2.289641|2.535682|3.089985|4.135559|1.987842|1.888818|3.511957|0.050870|0.054661|0.054800|0.079804|0.126401|0.086130|0.066152|0.138040|0.075256|0.082268|0.085518|0.070746|0.088755|0.301252|0.500000| |2.127234|4.155004|2.788893|3.015165|3.789419|4.639043|3.926987|3.075088|7.037268|0.213759|5.798802|0.132370|6.898529|5.242392|4.385227|3.470039|3.151366|3.364492|4.277449|6.041444|0.104816|5.209319|2.877771|8.814115|17.507736|12.249087|7.163591|11.815120|7.155324|4.016720|3.670003|2.935533|2.616250|2.734180|3.300268|4.224580|2.056238|2.041719|3.951791|0.053210|0.058604|0.060440|0.074416|0.106993|0.114577|0.076961|0.124358|0.075069|0.082281|0.088206|0.069273|0.079775|0.216028|0.173543|0.500000| |2.035661|4.039854|2.673364|3.003637|3.770188|4.171503|3.407309|2.802090|5.657550|0.145007|4.950452|0.128151|5.642297|4.186750|3.606941|2.899772|2.635077|2.792475|3.472664|5.014539|0.089389|4.474982|2.530221|8.871225|17.621228|12.451936|7.551845|10.316139|9.228467|4.883734|4.040293|3.217792|2.970209|3.261166|4.137501|5.041766|2.368630|2.306821|4.393952|0.051592|0.055097|0.057606|0.076379|0.113566|0.093659|0.069440|0.105724|0.063908|0.069533|0.075897|0.061746|0.072404|0.209989|0.217727|0.302153|0.500000| |2.467630|5.105121|3.409309|4.091905|5.149551|4.926713|3.867018|3.341964|5.305363|0.122736|4.288635|0.124460|3.931127|3.082475|2.611289|2.239012|2.158617|2.364753|2.866404|4.463418|0.085280|3.498547|1.929429|4.659069|6.157075|11.095381|9.615736|10.931460|26.082404|9.259572|5.725645|4.284824|4.071354|4.917006|7.632946|7.183117|3.159745|2.907683|5.630889|0.062573|0.064313|0.070071|0.106123|0.163619|0.097699|0.080019|0.072793|0.053534|0.061597|0.055991|0.048349|0.055078|0.108016|0.137341|0.136348|0.191380|0.500000| |2.562061|4.884389|3.154802|3.209816|3.530388|3.880633|3.795838|3.398997|3.875658|0.108097|2.979453|0.078801|2.772987|2.401371|2.126781|1.907228|1.873644|2.028377|2.326972|3.512187|0.069678|3.052836|1.678216|2.995063|3.926002|6.133722|6.830562|14.814159|9.475606|8.891872|17.829329|8.936743|5.643427|4.949792|5.642928|6.512775|3.197968|3.361615|7.536743|0.064230|0.066555|0.078073|0.080518|0.093164|0.105537|0.088009|0.058711|0.047589|0.054077|0.049478|0.042849|0.046376|0.076003|0.079075|0.110618|0.113062|0.142712|0.500000| |2.178003|4.040142|2.451972|2.466930|2.562516|2.653242|2.639914|2.532894|2.600597|0.071939|2.170192|0.058835|2.062188|1.841360|1.680792|1.536359|1.509245|1.607182|1.790680|2.644005|0.053018|2.513594|1.395974|2.219716|2.689242|3.968488|3.733137|7.135155|5.631309|5.655938|8.910977|17.735898|9.017179|5.680327|4.979869|7.524250|4.063839|4.850798|13.195451|0.056530|0.056112|0.066515|0.064862|0.069082|0.072806|0.067816|0.046794|0.038983|0.043258|0.040904|0.036162|0.038683|0.058024|0.060153|0.074940|0.079139|0.097845|0.214910|0.500000| |2.149959|4.338754|2.711919|3.117556|3.458742|3.217062|2.786150|2.591347|3.256696|0.081084|2.845985|0.082856|2.706745|2.272185|2.021830|1.783691|1.720660|1.845085|2.138192|3.216057|0.062900|2.868703|1.604161|3.121343|3.704193|5.634521|4.830719|7.053008|9.958121|8.840815|5.623844|4.978366|5.669363|9.024682|17.712422|13.337622|4.865332|4.079600|7.522670|0.056156|0.055303|0.061495|0.086020|0.105636|0.071769|0.064566|0.057048|0.043600|0.048739|0.046369|0.040906|0.045867|0.078277|0.092652|0.090252|0.117799|0.231822|0.123576|0.107986|0.500000| |1.637723|3.132237|1.828744|1.956903|1.999375|1.901415|1.786856|1.753757|1.876134|0.049381|1.711694|0.048914|1.659035|1.485918|1.380007|1.263354|1.228693|1.291327|1.427321|2.080763|0.041568|2.095503|1.181264|1.819471|2.021262|2.894190|2.376619|3.974231|3.850523|3.410890|3.229797|3.740618|5.129789|5.945331|4.378327|16.878427|17.637297|8.827288|10.162517|0.044362|0.042160|0.047261|0.055329|0.057754|0.047387|0.045981|0.038986|0.031943|0.034703|0.033976|0.030830|0.033531|0.048115|0.052486|0.053026|0.061207|0.078957|0.076144|0.092672|0.118307|0.500000| |1.881497|3.601499|2.087052|2.217259|2.223123|2.097022|1.990457|1.983427|2.017484|0.052977|1.809169|0.051691|1.718570|1.535430|1.410236|1.293941|1.270630|1.348193|1.493191|2.203518|0.044412|2.133176|1.191403|1.857910|2.089385|3.080840|2.585515|4.361860|4.208545|3.849141|3.740676|4.486086|6.387771|6.972650|4.879395|16.542927|17.557258|8.883000|12.784831|0.051028|0.047758|0.054833|0.062844|0.063313|0.052345|0.052013|0.039462|0.033005|0.036440|0.034230|0.031045|0.033668|0.048511|0.053256|0.054920|0.062292|0.084730|0.086885|0.110111|0.124660|0.299822|0.500000| 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