Version2.4 2021-06-07T06:50:48Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 27-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)cc(o2)C(=O)C3=C(C(=O)N([C@@H]3c4cccc(c4)[N+](=O)[O-])CCCN5CCOCC5)[O-] C39734463 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)cc(o2)C(=O)C3=C(C(=O)N([C@@H]3c4cccc(c4)[N+](=O)[O-])CCCN5CCOCC5)[O-] C01[X(C26H24N3O7)] 174 C1 588 O=C1C(=C([C@H](N1CCCN1CCOCC1)c1cccc(c1)[N+](=O)[O-])C(=O)c1cc2c(o1)cccc2)[O-] O=C1C(=C([C@H](N1CCCN1CCOCC1)c1cccc(c1)[N+](=O)[O-])C(=O)c1cc2c(o1)cccc2)[O-] [O-]C1=C([C@H](N(CCCN2CCOCC2)C1=O)c3cccc(c3)[N+]([O-])=O)C(=O)c4oc5ccccc5c4 InChIKey=HXKYIAAETSWAQI-HSZRJFAPSA-M InChI=1S/C26H25N3O7/c30-24(21-16-17-5-1-2-8-20(17)36-21)22-23(18-6-3-7-19(15-18)29(33)34)28(26(32)25(22)31)10-4-9-27-11-13-35-14-12-27/h1-3,5-8,15-16,23,31H,4,9-14H2/p-1/t23-/m1/s1 InChI=1/C26H25N3O7/c30-24(21-16-17-5-1-2-8-20(17)36-21)22-23(18-6-3-7-19(15-18)29(33)34)28(26(32)25(22)31)10-4-9-27-11-13-35-14-12-27/h1-3,5-8,15-16,23,31H,4,9-14H2/p-1/t23-/m1/s1/fC26H24N3O7/h31h/q-1 c1ccc2c(c1)cc(o2)C(=O)C3=C(C(=O)N([C@@H]3c4cccc(c4)[N+](=O)[O-])CCCN5CCOCC5)[O-] C01[X(C26H24N3O7)] 174 C01 588 O=C1C(=C([C@H](N1CCCN1CCOCC1)c1cccc(c1)[N+](=O)[O-])C(=O)c1cc2c(o1)cccc2)[O-] O=[C]([C]1[C](=O)C(=O)N([C@@H]1[C]1[CH][CH][CH][C]([CH]1)[N]([O])[O])CCCN1CCOCC1)C1=[CH][C]2[C]([CH][CH][CH][CH]2)O1 [O]N([O])[C]1[CH][CH][CH][C]([CH]1)[C@@H]2[C](C(=O)C(=O)N2CCCN3CCOCC3)C(=O)C4=C[C]5[CH][CH][CH][CH][C]5O4 InChIKey=MWRGFUYGJQLXIS-HSZRJFAPSA-N InChI=1S/C26H24N3O7/c30-24(21-16-17-5-1-2-8-20(17)36-21)22-23(18-6-3-7-19(15-18)29(33)34)28(26(32)25(22)31)10-4-9-27-11-13-35-14-12-27/h1-3,5-8,15-16,23H,4,9-14H2/t23-/m1/s1 InChI=1/C26H24N3O7/c30-24(21-16-17-5-1-2-8-20(17)36-21)22-23(18-6-3-7-19(15-18)29(33)34)28(26(32)25(22)31)10-4-9-27-11-13-35-14-12-27/h1-3,5-8,15-16,23H,4,9-14H2/t23-/m1/s1 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7.0459 7.1746 7.2810 7.3088 7.3625 7.4476 7.4564 7.5899 7.6109 7.8079 0.4262 0.4448 0.1253 0.1158 1.1957 2.9418 0.0929 4.7504 2.0463 1.0642 1.6235 1.2098 0.2431 1.0526 0.1775 1.5061 4.9159 1.6388 1.8735 1.7705 0.5362 2.6606 1.1650 1.6261 2.7616 0.5152 2.1870 1.2620 2.6009 6.4825 11.6152 9.4076 9.3369 2.2672 2.6117 2.6720 0.4542 4.9742 2.8086 1.5735 0.4607 31.9876 24.7014 2.8093 3.5846 0.2745 3.0132 1.2817 5.7986 1.8766 27.6990 11.1680 22.3986 25.2880 16.4342 12.1656 73.8857 1.7270 94.4797 4.5742 23.5658 6.7856 19.4986 24.2423 18.2544 11.7253 22.6675 4.7427 1.7819 8.4280 7.2146 5.2274 35.4479 16.5240 23.3442 3.8097 16.0093 6.8619 3.4204 15.7185 0.2738 0.0715 10.3546 35.9182 0.7763 18.7047 3.8110 1.5719 9.3040 6.5122 2.7862 37.8507 15.6900 14.4359 20.1045 19.6599 38.6760 17.7149 42.5791 91.4461 57.2634 22.3082 25.2017 20.6931 59.7524 50.0640 95.2007 127.4548 24.2016 66.3707 10.4758 46.9801 15.6880 22.3692 12.7009 17.7608 4.0911 6.3878 26.9743 97.4380 9.0496 6.8365 969.7051 164.5416 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0.6172 0.0655 0.5031 0.4957 0.7912 0.6673 0.5347 0.3574 0.8278 0.8413 0.8566 0.6505 0.2594 0.2391 0.2857 0.3383 0.4115 0.4730 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 6 6 6 6 6 6 6 6 8 6 8 6 6 6 8 7 6 1 6 6 6 6 6 6 7 8 8 6 6 6 7 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 12.00000 12.00000 12.00000 14.00307 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 14718.5460 28077.6607 30967.3868 1.00000 -0.00296 -0.00087 0.00300 0.99862 0.05238 0.00072 -0.05238 0.99863 1 0.00588 0.00308 0.00280 0.12262 0.06428 0.05828 14.85 19.61 26.73 27.12 37.36 46.38 71.72 80.31 88.49 91.49 123.22 143.41 150.39 165.34 176.94 206.37 216.47 282.12 289.03 325.02 334.33 359.13 384.74 402.61 413.38 448.92 476.51 485.10 507.15 515.02 524.17 548.80 575.56 637.78 642.82 659.92 689.12 691.05 715.23 759.55 772.77 808.96 840.19 843.72 865.09 915.07 922.34 926.01 963.72 966.92 991.99 1003.33 1065.58 1092.47 1126.08 1159.29 1184.95 1195.97 1211.26 1222.68 1243.48 1259.45 1269.97 1278.04 1316.45 1320.68 1329.08 1353.68 1365.79 1376.90 1384.74 1404.30 1406.07 1445.10 1459.60 1464.56 1508.12 1518.29 1550.96 1565.66 1571.45 1571.65 1597.66 1601.03 1620.02 1620.92 1641.95 1663.40 1666.22 1724.61 1734.69 1742.22 1758.48 1759.84 1767.72 1795.99 1799.82 1825.81 1831.86 1850.73 1868.45 1881.39 1887.65 1917.22 1933.54 1943.34 1949.18 1955.16 1971.93 2012.30 2017.88 2023.33 2030.95 2064.46 2066.80 2078.43 2096.85 2106.39 2122.63 2137.72 2157.09 2169.22 2207.71 2217.40 2236.39 2256.91 2278.64 2296.35 2305.08 2306.90 2340.48 2347.94 2355.67 2357.20 2360.14 2366.62 2372.74 2375.32 2383.67 2392.90 2400.15 2534.47 2556.28 2569.31 2575.31 2602.39 2605.25 2666.49 2811.53 2832.17 4459.92 4474.81 4492.55 4583.89 4598.13 4623.49 4633.97 4640.74 4646.40 4670.77 4702.13 4707.82 4717.29 4725.20 4739.38 4816.17 4841.10 4852.99 4857.92 4885.67 4892.99 4941.64 4943.34 4997.85 0.508508 0.537344 0.538288 0.442139 -1685.330361 -1685.301525 -1685.300580 -1685.396729 3.224853D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE c1ccc2c(c1)cc(o2)C(=O)C3=C(C(=O)N([C@@H]3c4cccc(c4)[N+](=O)[O-])CCCN5CCOCC5)[O-] C39734463 RHF 6-31G(d) (6D,10F) C1 490.161425 |X|Y|Z| 110.339904 57.590912 69.101066 76.007614 30 6 7 8 26 2 2 |36.858105| |13.618808|36.858105| |7.862090|13.784393|36.858105| |6.982010|8.094553|13.775339|36.858105| |7.985545|6.877622|7.802671|13.707358|36.858105| |13.800103|7.872718|6.736964|7.943163|13.667879|36.858105| |5.006542|4.565888|5.311209|8.478248|13.193267|7.237624|36.858105| |4.201532|4.233986|5.398535|8.726637|8.536611|5.269220|14.217585|36.858105| |4.688467|5.239500|7.824810|14.159443|8.489018|5.374625|8.539433|13.948558|73.516695| |3.151896|3.186879|3.877149|5.245645|5.130571|3.755126|7.470954|12.596182|13.431394|36.858105| |2.902773|2.833616|3.281931|4.280902|4.559209|3.514921|6.824634|8.354382|9.574438|15.670647|73.516695| |2.746034|2.880296|3.542360|4.433210|4.008660|3.100182|5.002025|7.458048|11.360095|13.407585|14.407965|36.858105| |2.287537|2.375667|2.813204|3.341677|3.123646|2.544673|3.781005|4.920776|7.726597|7.633549|11.610258|13.391722|36.858105| |2.099720|2.229530|2.643344|2.997976|2.713533|2.265159|3.091180|3.904749|6.757724|5.099892|7.721884|8.061313|12.381811|36.858105| |1.857604|1.963886|2.281165|2.528798|2.321228|1.984957|2.600729|3.146345|5.469157|3.924111|6.298280|5.400028|7.735549|15.869106|73.516695| |2.294816|2.498390|3.044259|3.411418|2.952821|2.440862|3.265419|4.232917|7.893398|5.121570|7.259982|8.174692|8.172996|14.075654|14.935696|53.358707| |2.771386|3.041590|3.872383|4.579489|3.804023|2.997318|4.276230|6.087739|11.828796|7.226294|9.008604|12.533523|7.907248|8.066915|9.646666|17.753110|36.858105| |2.992958|3.381581|4.470840|5.189975|4.056314|3.180185|4.347495|6.159422|13.779144|6.364726|8.119171|8.712251|6.019459|6.198185|8.171816|12.454572|17.560567|0.500000| |2.868446|3.177733|4.031701|4.622891|3.815978|3.058239|4.112530|5.470994|11.049230|5.702658|7.637099|7.379474|5.401083|5.517774|7.509091|10.614841|12.422148|0.249308|36.858105| |2.591632|2.772649|3.333152|3.809270|3.391136|2.796243|3.749162|4.665102|8.418723|5.124098|7.412949|6.221533|5.104825|5.035182|7.165221|8.300148|7.476305|0.155730|13.677230|36.858105| |2.506834|2.675351|3.117653|3.417388|3.096039|2.654038|3.282891|3.804312|6.981654|3.902005|5.975559|4.324338|3.740277|3.739209|5.691490|5.924876|4.975438|0.116516|7.867304|13.761575|36.858105| |2.653810|2.907901|3.383145|3.525458|3.106012|2.719902|3.118487|3.531334|6.879998|3.398102|5.198339|3.667575|3.140420|3.196083|4.947633|5.185914|4.384142|0.110628|6.774449|7.924799|13.760961|36.858105| |2.957987|3.392151|4.133486|4.156334|3.432512|2.964972|3.329307|3.861755|8.152084|3.567222|5.291312|3.886813|3.218214|3.322548|5.072046|5.661229|4.999114|0.133770|7.946010|6.972315|8.043745|13.795889|36.858105| |3.098965|3.597045|4.677990|4.920043|3.843008|3.164581|3.810668|4.757615|10.722997|4.413762|6.197003|5.072389|3.958618|4.123388|6.021320|7.590193|7.508101|0.205609|13.768548|7.996964|6.884586|7.862681|13.740565|36.858105| |2.982350|3.525141|4.140499|3.818153|3.156717|2.853654|2.923775|3.246126|6.934282|2.926373|4.458549|3.096159|2.633691|2.727158|4.285016|4.514276|3.822576|0.108349|5.120007|4.549002|5.147061|7.798551|13.088047|7.783004|53.358707| |2.725353|3.127641|3.476159|3.225298|2.791036|2.598459|2.595207|2.798772|5.732758|2.555105|3.993247|2.665620|2.324079|2.393282|3.829106|3.836544|3.153360|0.087752|4.076614|3.911059|4.679297|7.083502|8.363764|5.414653|21.667776|73.516695| |3.140440|3.883393|4.647826|4.019483|3.212505|2.922119|2.901589|3.223614|7.146971|2.857744|4.337223|3.016728|2.560651|2.666004|4.199295|4.439786|3.759550|0.112278|4.671787|3.917055|4.100255|5.422026|8.359665|7.068934|21.679074|16.045950|73.516695| |2.115237|2.338618|2.813956|2.995685|2.572337|2.190472|2.726732|3.367019|6.544275|3.755477|5.574242|5.109765|5.120989|7.801471|12.031450|17.990286|7.447124|0.189835|6.107210|4.920484|3.911865|3.638621|4.066764|5.228435|4.606443|5.115436|6.027672|36.858105| |2.070806|2.308568|2.763115|2.873733|2.456096|2.117370|2.554165|3.096176|6.123641|3.343320|5.049808|4.271369|4.257895|5.823303|9.715783|10.442916|5.666169|0.169842|4.526453|3.660561|3.061553|2.964427|3.380935|4.245292|4.087609|4.568171|5.599645|12.434120|36.858105| |1.872594|2.094069|2.446747|2.463361|2.127142|1.881435|2.165777|2.535681|5.016965|2.660704|4.129777|3.216413|3.209997|4.119011|7.307796|6.786114|4.048295|0.119633|3.620307|3.069702|2.713697|2.707238|3.068747|3.615448|3.884555|4.425279|5.376494|7.540559|12.473088|36.858105| |1.766369|1.968601|2.261823|2.251942|1.965772|1.762940|1.985217|2.280237|4.482117|2.364424|3.736606|2.761374|2.767134|3.374853|6.081754|5.210043|3.291683|0.099181|2.929729|2.526854|2.268553|2.276593|2.560937|2.953002|3.333323|3.857141|4.678042|4.965597|7.620082|13.094593|53.358707| |1.584640|1.754998|1.977618|1.951765|1.727496|1.572525|1.735902|1.958025|3.808108|2.019978|3.242414|2.314427|2.334129|2.790069|5.119093|4.195933|2.695146|0.079290|2.494310|2.217705|2.042488|2.064962|2.284526|2.539487|3.029674|3.581075|4.220421|3.883448|5.047858|7.909138|17.872641|36.858105| |1.486395|1.635415|1.817049|1.787358|1.599627|1.471125|1.602004|1.782572|3.438641|1.828516|2.973013|2.051848|2.072873|2.403425|4.414361|3.516191|2.318903|0.068527|2.136950|1.917198|1.775030|1.793360|1.970249|2.171692|2.637635|3.148728|3.684298|3.068768|3.877623|5.086245|10.654635|12.536924|36.858105| |1.562364|1.731431|1.918566|1.862934|1.658511|1.532908|1.641720|1.817636|3.544482|1.834129|2.974902|2.030332|2.013536|2.284555|4.101526|3.375247|2.293510|0.069158|2.112523|1.874046|1.737714|1.772675|1.971014|2.178758|2.673548|3.178575|3.796577|2.880070|3.655504|4.530376|9.181175|7.908495|13.608656|73.516695| |1.730153|1.929316|2.166295|2.109125|1.858170|1.701569|1.839471|2.056089|4.047555|2.069271|3.325995|2.298826|2.259007|2.558362|4.523187|3.816065|2.612846|0.080662|2.346784|2.041206|1.864282|1.895517|2.133531|2.413278|2.868267|3.360383|4.109664|3.228299|4.316231|5.065007|10.655570|6.815318|8.209819|24.168006|36.858105| |1.900632|2.147072|2.471187|2.410253|2.078722|1.873602|2.061082|2.352327|4.722100|2.371189|3.732212|2.700323|2.619086|3.049256|5.297657|4.753084|3.207828|0.100844|2.858362|2.422051|2.185746|2.229724|2.558212|2.964692|3.404821|3.910227|4.917306|4.233340|6.191402|7.825543|17.853725|8.014178|6.804812|14.032101|12.534179|36.858105| |2.101140|2.141498|2.470110|2.909250|2.822678|2.350892|3.442327|4.196484|6.407202|6.258214|11.379368|7.876137|15.812388|7.987385|11.753904|7.507440|5.288580|0.122487|4.100328|4.091924|3.198354|2.705516|2.716136|3.195124|3.101800|3.646940|3.935279|3.990640|3.485259|2.757290|3.331416|2.107642|1.905242|3.282395|2.051060|2.316907|73.516695| |17.705063|8.898023|5.624864|5.007571|5.662062|8.944772|4.026200|3.424463|6.590464|2.696194|4.506163|2.381748|2.030087|1.877345|2.989014|2.766243|2.397354|0.071202|2.482816|2.283821|2.239583|2.374372|2.603203|2.672858|3.629876|4.435134|4.973216|1.894053|1.862193|1.706379|2.208467|1.470717|1.389219|2.598557|1.605933|1.744013|3.354459|0.500000| |8.889907|17.711972|8.957006|5.711780|4.954187|5.627682|3.632102|3.456324|7.457144|2.735461|4.365273|2.539742|2.141006|2.046892|3.245009|3.122845|2.720051|0.083850|2.855323|2.510934|2.460598|2.715446|3.171253|3.282281|4.683227|5.519924|6.909769|2.195939|2.190337|2.027689|2.617991|1.732075|1.621926|3.073048|1.913509|2.113973|3.447304|0.215769|0.500000| |5.594339|8.853288|17.736172|8.865893|5.581612|4.882554|4.342167|4.714283|12.333801|3.625298|5.395460|3.500197|2.808288|2.726352|4.192680|4.386721|4.050875|0.134297|4.248083|3.397627|3.178489|3.530610|4.531725|5.246559|6.412308|6.763330|10.143553|3.067978|3.053093|2.727077|3.414613|2.179177|1.984602|3.749323|2.394083|2.781321|4.331076|0.123549|0.213728|0.500000| |8.903425|5.608519|4.880355|5.634901|8.851983|17.708707|6.382709|4.546687|7.704255|3.442959|5.985673|2.827237|2.377136|2.101402|3.306066|3.025007|2.672169|0.077281|2.712536|2.547892|2.435887|2.461800|2.613649|2.751140|3.414581|4.138801|4.506673|1.994217|1.924945|1.719516|2.203418|1.454388|1.367906|2.524595|1.566582|1.708240|3.981994|0.214880|0.123823|0.106315|0.500000| |4.287596|3.781875|4.143352|5.786940|8.387452|6.104892|17.835657|8.916174|10.411113|6.637307|12.833594|4.468211|3.583726|2.884418|4.386795|4.011553|3.688774|0.101357|3.540807|3.380943|3.002971|2.805536|2.902851|3.233817|3.492381|4.135520|4.482341|2.469752|2.312037|1.978053|2.483863|1.610017|1.495029|2.711182|1.696534|1.878780|6.055865|0.100927|0.086588|0.097285|0.170386|0.500000| |2.402781|2.516603|2.970361|3.446423|3.184667|2.633724|3.663836|4.534675|7.617898|5.486522|8.223376|6.874434|6.111886|5.703124|8.034037|8.417971|6.989356|0.141323|8.948301|17.737768|8.929669|5.645528|5.005106|5.682573|4.928007|5.716629|5.724870|4.698937|3.511013|2.914041|3.301644|2.133125|1.858169|3.207137|1.962427|2.300043|8.762898|0.059260|0.063275|0.082786|0.067838|0.094716|0.500000| |2.283535|2.388420|2.707532|2.960760|2.776463|2.428768|2.972438|3.335287|5.907911|3.485454|5.568854|3.772907|3.419931|3.379478|5.296038|5.073492|4.069085|0.096397|5.618708|8.925868|17.723052|8.939353|5.692084|4.958536|5.673817|7.152046|6.049474|3.375146|2.693671|2.424320|2.798559|1.876640|1.644788|2.849239|1.704812|1.969757|5.393684|0.057455|0.061401|0.075691|0.063094|0.077682|0.215528|0.500000| |2.494983|2.707500|3.040687|3.095369|2.793931|2.524212|2.765406|3.024143|5.812209|2.894338|4.553268|3.054155|2.685708|2.728316|4.328407|4.295537|3.517421|0.090768|4.906360|5.630071|8.860151|17.789623|8.930114|5.621978|9.786601|14.154049|8.826788|3.077610|2.582755|2.420660|2.818173|1.911039|1.673532|2.942461|1.751097|2.032044|4.216346|0.063079|0.071420|0.087582|0.064215|0.070235|0.123886|0.213499|0.500000| |3.265104|3.950147|5.368928|5.311050|3.927284|3.249879|3.750326|4.656231|11.357822|4.167440|5.867765|4.709809|3.702954|3.892598|5.755635|7.166108|6.949015|0.226702|8.914962|5.665368|4.964179|5.633154|8.946101|17.791115|9.818705|8.845322|14.199685|5.177149|4.583244|3.908978|4.396709|2.728850|2.335339|4.237450|2.684237|3.358306|5.353618|0.077698|0.100993|0.182332|0.077294|0.087288|0.124526|0.107722|0.124323|0.500000| |2.199867|2.465784|2.985427|3.113738|2.631159|2.251018|2.730434|3.343367|6.704113|3.571431|5.275538|4.649008|4.360756|5.821118|8.977088|12.561424|7.040795|0.183922|6.974565|5.423774|4.450360|4.305890|5.002758|6.509655|5.565642|6.033159|7.226744|17.552714|8.813425|6.940939|6.256385|3.741864|2.940302|4.970471|3.087950|4.070244|6.168245|0.054642|0.064685|0.092085|0.056524|0.068065|0.133708|0.103326|0.099405|0.176124|0.500000| |1.902508|2.075141|2.440062|2.590947|2.283012|1.972819|2.432974|2.930618|5.517857|3.312748|5.094167|4.381895|4.728394|7.430251|13.540245|12.682535|5.635416|0.139636|4.970183|4.453656|3.665195|3.348440|3.566226|4.271575|4.097890|4.690635|5.268151|17.605639|8.855076|6.874654|6.350948|3.854119|3.031447|4.905054|3.000078|3.789661|6.874420|0.047811|0.054456|0.072893|0.050495|0.062359|0.123095|0.090929|0.080408|0.114201|0.302607|0.500000| |1.954352|2.144107|2.529776|2.668004|2.332611|2.017103|2.463370|2.963160|5.662748|3.287945|5.074646|4.187467|4.443882|6.198213|11.141453|9.469498|5.061213|0.147249|3.923239|3.303581|2.761699|2.625669|2.912715|3.569828|3.533754|4.023101|4.795483|8.876068|17.572575|8.885309|9.630604|4.801736|3.881137|6.398375|4.272797|5.640069|6.626257|0.049051|0.056351|0.076018|0.051434|0.062793|0.091150|0.068859|0.064240|0.104832|0.173696|0.214770|0.500000| |2.298725|2.603584|3.185190|3.290672|2.738034|2.338284|2.808129|3.444445|7.084337|3.599106|5.327656|4.504156|4.203429|5.248735|8.240353|9.592069|6.137440|0.209461|4.749778|3.662017|3.057731|3.015874|3.551985|4.617514|4.341771|4.764018|6.118412|8.879466|17.549288|8.795411|9.176869|4.525226|3.663161|6.503724|4.527657|6.672856|6.068167|0.056889|0.068335|0.099527|0.058335|0.069408|0.095735|0.073838|0.072649|0.147416|0.210282|0.174200|0.302586|0.500000| |1.941032|2.198396|2.575609|2.542381|2.169740|1.928181|2.174610|2.533453|5.113852|2.595831|4.006452|3.090405|2.986762|3.704109|6.372015|6.292601|3.977947|0.118659|3.770857|3.166560|2.861923|2.941030|3.413596|3.971084|4.416240|4.981162|6.206821|6.827583|8.811303|17.380664|12.280283|6.898683|4.584106|7.595028|4.644505|7.108927|4.550503|0.049120|0.059608|0.081167|0.048674|0.054802|0.081261|0.070266|0.073174|0.121336|0.206508|0.167423|0.173413|0.211857|0.500000| |1.726513|1.907042|2.200183|2.233299|1.961573|1.743822|2.015609|2.341076|4.529006|2.495470|3.928963|3.020302|3.111059|4.072679|7.605847|6.404327|3.694361|0.104169|3.376249|2.981750|2.661309|2.617451|2.877969|3.296134|3.615608|4.197520|4.881884|7.093712|8.937395|17.547899|12.619387|7.584077|4.850505|7.208272|4.245787|5.709796|4.826157|0.043948|0.051288|0.067111|0.044642|0.051700|0.079864|0.067055|0.065552|0.095284|0.178056|0.212968|0.212063|0.174016|0.302670|0.500000| |1.597272|1.780940|2.000832|1.948873|1.717304|1.571776|1.708476|1.917847|3.764672|1.952886|3.126889|2.220010|2.203651|2.601307|4.693739|3.979306|2.610878|0.076931|2.485238|2.211281|2.068138|2.125841|2.367575|2.591386|3.199328|3.793910|4.490754|3.683556|4.542576|7.019158|12.245994|17.392891|8.886900|12.493600|5.886165|7.078063|3.527158|0.041263|0.049204|0.061760|0.040283|0.043887|0.058351|0.052663|0.055005|0.077679|0.103236|0.100530|0.114394|0.116569|0.202261|0.184265|0.500000| |1.503515|1.650736|1.854342|1.849317|1.651572|1.502112|1.675146|1.888898|3.624593|1.975059|3.190373|2.277723|2.341093|2.839057|5.348498|4.187190|2.627181|0.075477|2.441541|2.210775|2.038594|2.037683|2.216164|2.443532|2.904631|3.461715|3.974450|3.898626|4.812422|7.276230|12.487817|17.555562|8.910076|10.166794|5.063246|5.743078|3.784987|0.038817|0.045068|0.056210|0.038783|0.043427|0.059645|0.052459|0.052496|0.071425|0.102852|0.112959|0.130962|0.114314|0.170557|0.235330|0.300623|0.500000| |1.387998|1.521404|1.674300|1.641322|1.478867|1.370110|1.477560|1.630391|3.130517|1.667793|2.729287|1.856232|1.876176|2.154879|3.967925|3.132424|2.081721|0.060918|1.951093|1.773400|1.661776|1.684863|1.835645|1.990764|2.477342|2.990552|3.443328|2.705137|3.262224|4.184090|7.681702|8.837736|17.590673|16.906504|5.890235|5.059274|3.089246|0.036233|0.042109|0.050601|0.035523|0.038464|0.047760|0.043060|0.044060|0.058965|0.073054|0.075204|0.090028|0.085648|0.109258|0.115271|0.217220|0.210889|0.500000| |1.448426|1.580743|1.754667|1.745422|1.573981|1.444267|1.590341|1.770057|3.375154|1.835641|3.004157|2.062532|2.115389|2.455228|4.579673|3.511512|2.293520|0.067341|2.081255|1.877509|1.725249|1.722726|1.877004|2.079089|2.483910|2.968455|3.441101|3.012854|3.814049|4.716718|9.547250|8.885549|17.497930|16.550325|7.287602|5.911305|3.487872|0.037601|0.043291|0.052727|0.037453|0.041434|0.051099|0.044602|0.044564|0.061633|0.078232|0.083585|0.111384|0.098975|0.113016|0.128067|0.174004|0.217687|0.300082|0.500000| |1.782888|1.997954|2.225754|2.136650|1.880664|1.736882|1.838780|2.035254|4.033851|2.014188|3.243747|2.198213|2.128649|2.355058|4.106078|3.516863|2.479551|0.077319|2.246489|1.951193|1.793397|1.838155|2.079214|2.339310|2.832535|3.322951|4.103747|2.899041|3.731176|4.164592|7.684331|5.068135|5.892556|16.905140|17.597651|8.843620|3.446604|0.046116|0.055495|0.068519|0.044337|0.047010|0.051887|0.045543|0.047358|0.072943|0.078278|0.074144|0.101309|0.112668|0.111130|0.097958|0.132053|0.110784|0.132266|0.147627|0.500000| |1.684547|1.857286|2.081960|2.059289|1.833001|1.673346|1.835533|2.052721|3.979775|2.093501|3.390263|2.327729|2.324603|2.628776|4.705273|3.824672|2.592215|0.079428|2.283545|1.999030|1.810578|1.816915|2.023575|2.299153|2.683378|3.152472|3.798246|3.169406|4.249526|4.694961|9.536650|5.911709|7.285784|16.549313|17.501643|8.884556|3.787316|0.043432|0.050755|0.063016|0.043015|0.047310|0.054034|0.046216|0.046538|0.070219|0.081958|0.082643|0.124099|0.121996|0.114168|0.112709|0.134718|0.132365|0.147608|0.217329|0.300155|0.500000| |2.078472|2.358296|2.761202|2.716293|2.314574|2.059994|2.300036|2.659862|5.400229|2.673623|4.158248|3.056647|2.920401|3.368250|5.707214|5.310824|3.654626|0.119237|3.137938|2.598989|2.303723|2.335094|2.705547|3.225881|3.550890|4.024747|5.150423|4.570219|6.979723|7.129987|12.440482|5.739083|5.063160|10.175227|8.943193|17.603197|4.536142|0.052486|0.063808|0.086549|0.051838|0.057749|0.068579|0.057234|0.058480|0.103349|0.119446|0.109043|0.177645|0.240293|0.177140|0.143868|0.143358|0.127880|0.110739|0.132511|0.211779|0.218418|0.500000| 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