Version2.2 2021-02-06T21:41:12Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C1Cc2c(sc(c2C(=O)N)Nc3c(c(nc(n3)NCCCN4CCOCC4)N)[N+](=O)[O-])C1 C41301780 RHF 6-31G(d) (6D,7F) C1Cc2c(sc(c2C(=O)N)Nc3c(c(nc(n3)NCCCN4CCOCC4)N)[N+](=O)[O-])C1 C01[X(C19H26N8O4S1)] 168 C1 536 NC(=O)c1c(sc2c1CCC2)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N NC(=O)c1c(sc2c1CCC2)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N NC(=O)c1c(Nc2nc(NCCCN3CCOCC3)nc(N)c2[N+]([O-])=O)sc4CCCc14 InChIKey=FNXXHYZEHNSHJP-UHFFFAOYSA-N InChI=1S/C19H26N8O4S/c20-15-14(27(29)30)17(24-18-13(16(21)28)11-3-1-4-12(11)32-18)25-19(23-15)22-5-2-6-26-7-9-31-10-8-26/h1-10H2,(H2,21,28)(H4,20,22,23,24,25) InChI=1/C19H26N8O4S/c20-15-14(27(29)30)17(24-18-13(16(21)28)11-3-1-4-12(11)32-18)25-19(23-15)22-5-2-6-26-7-9-31-10-8-26/h1-10H2,(H2,21,28)(H4,20,22,23,24,25)/f/h22,24H,20-21H2 C1Cc2c(sc(c2C(=O)N)Nc3c(c(nc(n3)NCCCN4CCOCC4)N)[N+](=O)[O-])C1 C01[X(C19H26N8O4S1)] 168 C01 536 NC(=O)c1c(sc2c1CCC2)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N NC(=O)[C]1=[C](SC2=[C]1CCC2)N[C]1[N][C]([NH]CCCN2CCOCC2)[N][C]([C]1[N]([O])[O])[NH2] N[C]1[N][C]([N][C](Nc2sc3CCCc3c2C(N)=O)[C]1N([O])[O])NCCCN4CCOCC4 InChIKey=FNXXHYZEHNSHJP-UHFFFAOYSA-N InChI=1S/C19H26N8O4S/c20-15-14(27(29)30)17(24-18-13(16(21)28)11-3-1-4-12(11)32-18)25-19(23-15)22-5-2-6-26-7-9-31-10-8-26/h1-10H2,(H2,21,28)(H4,20,22,23,24,25) InChI=1/C19H26N8O4S/c20-15-14(27(29)30)17(24-18-13(16(21)28)11-3-1-4-12(11)32-18)25-19(23-15)22-5-2-6-26-7-9-31-10-8-26/h1-10H2,(H2,21,28)(H4,20,22,23,24,25)/f/h22,24H,20-21H2 3370.0688850228 -1867.0970981 1-A 23014.6156 122 414 536 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.97451 -20.59992 -20.59830 -20.56010 -20.51989 -15.86468 -15.61591 -15.60009 -15.59531 -15.57771 -15.55900 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94.7859 107.3993 134.2314 144.4153 153.3455 167.9122 186.0322 204.0771 215.4321 217.2017 222.1081 225.4699 244.0396 267.1222 286.2752 301.7017 335.4936 345.5212 361.6496 372.2798 395.7617 404.7964 416.8665 419.1951 439.9014 455.2972 486.0921 495.2424 505.7619 535.0423 541.4933 548.8265 572.0692 581.7531 603.3357 616.9165 634.0678 658.8612 672.7634 689.3857 692.6057 699.5825 706.2287 732.4580 782.6841 797.9494 810.3655 821.1367 868.4886 875.4849 879.2604 879.8433 888.9700 902.7312 931.9101 944.3777 956.0765 961.5511 971.1021 976.3933 981.2339 986.5524 1007.1430 1085.9160 1098.0900 1107.0708 1122.9336 1131.4469 1141.7464 1154.1306 1162.6842 1195.2173 1205.5596 1213.3693 1222.8153 1234.4054 1249.1614 1263.9416 1272.5213 1276.9048 1286.2385 1290.0580 1320.7837 1326.6101 1341.9537 1346.6831 1349.9552 1351.9264 1369.9507 1406.9491 1409.0855 1413.4201 1428.7331 1436.4882 1445.9695 1465.0256 1466.0723 1477.0117 1478.1022 1486.4781 1497.7460 1503.9015 1508.5978 1544.3407 1551.8084 1563.0612 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2.4933 5.0188 7.1768 34.4264 2.0252 1.4434 0.9544 2.7610 3.0045 4.5496 11.6556 2.8422 14.1244 6.1619 203.2780 55.9066 4.0319 2.7888 11.5906 6.7599 1.4955 0.4553 64.2076 12.0658 1.1427 2.4864 0.7842 7.0845 16.6887 36.1763 7.9493 43.0477 0.4393 53.3334 7.7032 5.6410 1.0518 5.2690 0.3441 2.2317 18.2927 6.6883 2.1602 7.1619 122.4401 0.5891 5.2024 1.3274 5.5630 16.8516 2.7987 30.4937 37.1893 0.6692 11.4421 1.4645 20.1835 11.0820 11.1495 4.0359 12.0313 1.7471 1.9441 46.7371 1.5870 5.7495 1.6625 85.9904 52.8421 41.4636 55.3056 6.8182 33.5962 112.8563 17.2424 9.2323 20.1707 17.4688 81.5657 2.9757 0.9879 135.9531 18.2579 83.2385 32.5415 32.7228 4.4312 7.0682 4.6572 57.9833 4.3150 139.6794 70.1054 345.7905 15.9198 105.7280 424.5489 74.6459 5.0405 114.6041 2.1761 38.3055 552.9973 5.6451 2.4041 0.5851 2.2843 1.4791 26.5184 56.2876 79.9375 179.9486 53.0671 76.0015 185.6476 616.6249 1072.2632 291.8208 330.2922 433.4013 1168.7374 13.9523 463.3892 17.2729 20.9672 133.8753 17.5750 99.8305 44.6713 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7 8 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 1 1 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 15.99491 14.00307 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 12.00000 12.00000 14.00307 14.00307 15.99491 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 1.00783 1.00783 12985.5631 30829.4313 39746.7914 0.99993 -0.01142 -0.00041 0.01142 0.99991 -0.00652 0.00049 0.00651 0.99998 1 0.00667 0.00281 0.00218 0.13898 0.05854 0.04541 10.75 15.43 26.98 29.33 37.67 63.38 71.69 73.59 101.91 112.24 114.76 136.38 154.52 193.13 207.78 220.63 241.59 267.66 293.62 309.96 312.50 319.56 324.40 351.12 384.33 411.89 434.08 482.70 497.13 520.33 535.63 569.41 582.41 599.78 603.13 632.92 655.07 699.38 712.54 727.68 769.81 779.09 789.64 823.08 837.01 868.07 887.61 912.28 947.95 967.96 991.87 996.51 1006.54 1016.11 1053.84 1126.11 1148.07 1165.94 1181.43 1249.56 1259.63 1265.06 1265.90 1279.03 1298.83 1340.81 1358.75 1375.58 1383.46 1397.20 1404.81 1411.78 1419.43 1449.05 1562.39 1579.91 1592.83 1615.65 1627.90 1642.72 1660.54 1672.84 1719.65 1734.53 1745.77 1759.36 1776.03 1797.26 1818.53 1830.87 1837.18 1850.61 1856.11 1900.31 1908.70 1930.77 1937.58 1942.28 1945.12 1971.05 2024.29 2027.36 2033.60 2055.63 2066.79 2080.43 2107.85 2109.35 2125.09 2126.66 2138.71 2154.92 2163.78 2170.54 2221.96 2232.71 2248.90 2264.12 2277.65 2284.22 2299.71 2335.83 2344.74 2356.59 2361.66 2368.42 2372.99 2374.39 2387.73 2390.01 2395.10 2399.66 2419.39 2436.55 2477.11 2526.73 2560.16 2580.02 2582.77 2596.65 2604.14 2803.56 4482.92 4492.28 4509.00 4587.35 4600.40 4611.83 4623.45 4632.94 4643.18 4648.91 4652.40 4671.20 4676.36 4680.94 4706.23 4706.55 4718.88 4724.96 4729.89 4730.09 5542.45 5543.27 5546.56 5583.27 5741.36 5747.62 0.508441 0.537402 0.538347 0.441879 -1866.588657 -1866.559696 -1866.558752 -1866.655219 3.235519D-04 MUNgauss RevisionA2.1 retrievium 06-Feb-2021 DUDE C1Cc2c(sc(c2C(=O)N)Nc3c(c(nc(n3)NCCCN4CCOCC4)N)[N+](=O)[O-])C1 C41301780 RHF 6-31G(d) (6D,10F) C1 462.179773 |X|Y|Z| 77.759440 125.343108 35.456749 70.175282 25 6 7 8 16 18 5 1 1 |36.858105| |12.274673|36.858105| |8.000249|12.635727|36.858105| |8.079158|8.097741|14.233706|36.858105| |4.681964|4.845962|7.462046|11.053057|388.023441| |4.191006|5.024080|8.271561|7.743160|77.785796|36.858105| |4.998519|6.988208|13.213917|8.190836|52.426533|14.084839|36.858105| |4.064051|5.798527|7.450970|5.119945|33.401164|7.428594|12.716691|36.858105| |4.171165|6.289433|6.638270|4.559691|27.749776|5.306222|8.130460|15.848178|73.516695| |3.212281|4.157022|5.102056|4.010223|28.836303|6.349418|7.808202|14.132664|15.173312|53.358707| |3.201669|3.708994|5.178209|4.972491|49.842966|13.520725|7.659569|6.036116|7.854769|8.689223|53.358707| |2.781996|3.194074|4.176557|4.035967|38.029949|7.836540|5.660334|5.023229|7.005664|7.376022|19.149336|36.858105| |2.309345|2.587175|3.198899|3.130149|28.289883|5.075068|4.047481|3.844759|5.638434|5.938144|10.600083|13.277640|36.858105| |2.075260|2.307015|2.754754|2.700430|23.338063|3.923472|3.334570|3.252481|5.000014|4.882154|7.013350|7.846214|13.310845|36.858105| |2.133929|2.383951|2.819812|2.753734|23.197152|3.836947|3.356758|3.277751|5.156924|4.719652|6.336430|6.953070|7.943537|14.368422|53.358707| |2.471912|2.810211|3.400115|3.291099|27.706083|4.710487|4.109838|3.914740|6.102598|5.388242|7.439024|8.412169|7.125244|8.408483|19.611369|36.858105| |2.899177|3.367626|4.344466|4.159725|36.835062|7.031713|5.652747|5.038249|7.363620|6.773234|11.467851|14.577629|7.978159|6.958738|10.914737|14.259626|53.358707| |2.461963|2.787944|3.252676|3.145165|24.969432|4.010542|3.723748|3.582542|5.881740|4.712157|5.743209|5.520735|4.755959|5.478630|11.400021|14.299384|11.498711|53.358707| |2.108062|2.341665|2.628428|2.557835|19.835282|3.074130|2.915367|2.875205|4.862308|3.844421|4.403620|4.029887|3.812583|4.636821|9.317734|7.719525|7.132103|17.883174|36.858105| |2.104743|2.312709|2.516825|2.458471|18.331995|2.745982|2.681230|2.635301|4.599261|3.421947|3.758999|3.238039|2.993655|3.409138|6.077232|5.123188|5.566687|10.648837|12.486995|36.858105| |1.809730|1.960642|2.095906|2.055258|15.248013|2.259152|2.212554|2.199563|3.868751|2.901509|3.120577|2.640744|2.535701|2.911004|4.956056|3.830829|4.285863|6.832189|7.546395|12.466558|36.858105| |1.755483|1.883438|1.969305|1.933379|14.011685|2.044237|2.033449|2.022109|3.617158|2.634957|2.768362|2.276493|2.164209|2.406779|3.933221|3.079200|3.632833|5.271950|4.981766|7.663184|13.127154|53.358707| |1.556707|1.663296|1.725729|1.690382|12.233629|1.788723|1.783459|1.791986|3.214535|2.363068|2.440682|1.991038|1.927480|2.144036|3.418142|2.594789|3.095300|4.228119|3.888302|5.068359|7.904772|17.829687|36.858105| |1.499688|1.588793|1.622401|1.590876|11.336715|1.641155|1.651899|1.658832|3.006406|2.170766|2.212020|1.772006|1.703470|1.856603|2.898463|2.221047|2.726284|3.548355|3.074091|3.893644|5.086389|10.644141|12.535958|36.858105| |1.510717|1.579875|1.611096|1.598594|11.382015|1.619307|1.622061|1.605894|2.901263|2.087045|2.167519|1.725393|1.650601|1.785084|2.772272|2.137747|2.650694|3.402462|2.885816|3.660212|4.539500|9.189265|7.917132|13.615798|73.516695| |1.681796|1.755543|1.793821|1.789239|12.699426|1.791489|1.793337|1.756119|3.170800|2.256442|2.374648|1.890814|1.783188|1.918854|3.009689|2.369745|2.946576|3.850307|3.232865|4.310022|5.068633|10.643832|6.808143|8.213712|24.213461|36.858105| |1.770659|1.864425|1.943947|1.943133|14.062913|1.995576|1.971705|1.920775|3.424987|2.478707|2.672193|2.170083|2.049189|2.244755|3.611001|2.849590|3.441332|4.788276|4.237332|6.149420|7.838023|17.826414|7.996383|6.802933|14.062530|12.531110|36.858105| |1.815980|1.991376|2.318547|2.284010|19.284930|3.118587|2.727148|2.698838|4.247561|4.063963|5.324505|5.170712|7.803423|14.346525|11.601805|5.527757|6.383481|5.750487|3.955289|3.007416|2.699490|3.055228|2.046944|1.771575|3.019285|1.798592|2.090357|53.358707| |2.149337|2.372976|2.888981|2.845257|25.447760|4.400738|3.579405|3.434612|5.071300|5.450896|8.870633|7.639934|13.535249|7.689776|7.038468|4.668090|7.047358|4.790325|2.989236|2.454063|2.145623|2.544746|1.694526|1.516333|2.618776|1.576793|1.782973|8.879722|53.358707| |2.290384|2.524773|3.111781|3.065657|27.677305|4.859211|3.891454|3.671534|5.316469|5.890502|9.946677|6.851968|8.423166|5.339947|5.566133|3.970936|6.349565|4.251684|2.642282|2.237264|1.957365|2.360938|1.574300|1.425379|2.472131|1.490841|1.666784|6.284049|21.453535|73.516695| |1.892599|2.065044|2.443647|2.416325|20.941320|3.444964|2.924847|2.860282|4.361343|4.486842|6.286638|5.328886|8.439737|6.919025|6.360513|3.982530|5.582877|4.254051|2.778214|2.289168|2.049549|2.430502|1.638834|1.464305|2.523591|1.505716|1.699413|9.952409|21.539494|16.120828|73.516695| |12.263461|7.625223|7.991448|12.680014|45.668093|4.808068|5.159706|3.856314|6.590430|4.262811|4.869859|3.086140|2.526639|2.253681|3.152137|2.703412|4.378545|3.633173|2.254245|2.232795|1.901908|2.487305|1.606781|1.535554|2.771041|1.748163|1.864380|2.661584|3.176915|4.418418|3.625523|36.858105| |17.579350|8.637951|5.807930|5.848913|27.352075|3.480060|4.052157|3.482736|6.547536|3.831378|3.767953|2.479632|2.092309|1.915184|2.705855|2.290516|3.566504|3.165629|2.025347|2.060172|1.785298|2.389385|1.559047|1.517055|2.729839|1.713593|1.782410|2.300884|2.645152|3.635754|3.078141|8.652414|0.500000| |17.565496|8.795679|6.502410|6.553622|30.080975|3.832088|4.478022|3.755917|6.780224|4.171642|4.094786|2.584710|2.183522|1.951068|2.691945|2.251153|3.572745|3.012047|1.914898|1.896671|1.651705|2.179100|1.434216|1.383687|2.473781|1.535071|1.610829|2.346379|2.821480|3.975746|3.260433|8.809715|0.303039|0.500000| |8.644400|17.602774|8.764531|5.991629|29.137918|4.467563|6.217818|5.880758|11.988702|5.842780|4.705823|2.967806|2.455374|2.185585|3.037606|2.581387|4.158055|3.451980|2.161656|2.122039|1.824451|2.387840|1.567302|1.500602|2.637023|1.630994|1.722845|2.594328|3.119954|4.373023|3.567076|5.644202|0.189117|0.224500|0.500000| |8.639409|17.560177|8.890710|6.362088|30.218431|4.487059|6.062972|5.492432|11.481126|5.385783|4.688364|3.097184|2.519656|2.296098|3.295175|2.883467|4.606934|4.010957|2.484761|2.502138|2.105802|2.776149|1.788845|1.714613|3.025086|1.902503|2.013097|2.697498|3.096173|4.217833|3.545495|6.179819|0.219076|0.175406|0.304504|0.500000| |3.017363|3.731676|4.725016|3.943251|30.504211|6.965394|7.225791|9.233531|10.815963|26.155546|11.114151|6.498364|5.247038|4.035927|5.074627|4.162279|7.285224|4.739116|2.828512|2.469635|2.100819|2.574154|1.698622|1.552698|2.662321|1.616884|1.786616|4.516237|6.735723|9.894213|6.937890|3.045031|0.073239|0.080659|0.104859|0.097182|0.500000| |2.878622|3.671672|4.196706|3.374385|23.842639|4.779917|5.702317|9.471252|13.825169|26.071202|6.660051|4.473677|3.854836|3.312401|4.384708|3.578199|5.749736|4.358719|2.694178|2.413864|2.076962|2.578091|1.715317|1.578875|2.678767|1.616433|1.765604|3.858191|4.897727|6.756889|5.459774|2.754215|0.071577|0.076874|0.107750|0.099495|0.308589|0.500000| |2.958620|3.333860|4.466906|4.394059|43.377334|9.174992|6.088362|5.087308|6.853563|7.708990|26.048862|9.474200|7.323542|4.758498|5.563688|4.464121|8.239495|4.808950|2.835121|2.441668|2.075037|2.521903|1.653566|1.505577|2.626145|1.606206|1.794285|5.175167|10.128080|17.953561|9.072578|3.286514|0.071199|0.079238|0.088338|0.084847|0.209434|0.125138|0.500000| |2.755451|3.160363|3.684869|3.528217|27.053945|4.315886|4.138536|3.918788|6.540449|4.913362|5.789563|5.214560|4.227745|4.496504|8.233052|9.652307|11.034316|26.059017|8.964477|7.520942|4.716239|5.260518|3.052832|2.623994|4.512903|2.926290|3.580396|4.829153|4.401392|5.277880|5.051791|2.985414|0.072474|0.067599|0.078409|0.094702|0.098395|0.091874|0.097441|0.500000| |1.972277|2.152448|2.424244|2.406579|19.073729|2.884136|2.672478|2.593144|4.340868|3.506085|4.204578|3.861426|3.819139|4.831981|9.669063|6.959972|6.501481|12.505713|17.592699|8.826468|6.884365|6.251471|3.712304|2.929590|4.973604|3.100367|4.091939|5.814053|4.112179|4.683411|5.084533|2.133524|0.052585|0.050145|0.055312|0.062571|0.072902|0.068029|0.076532|0.184095|0.500000| |1.984300|2.223804|2.472123|2.364771|18.146054|2.880869|2.775229|2.831381|4.819734|3.875501|4.189237|3.818133|3.735511|4.635144|9.072608|6.770110|6.457666|12.428637|17.550657|8.823258|6.891230|6.345424|3.863113|3.030483|4.906198|2.992082|3.783489|5.554319|4.040143|4.634938|4.974047|2.086125|0.052946|0.050493|0.057888|0.065474|0.078868|0.076984|0.075778|0.190240|0.303431|0.500000| |2.217346|2.475969|2.653027|2.537426|18.380906|2.797379|2.813887|2.820299|5.031550|3.608689|3.755189|3.171633|2.871221|3.174809|5.501291|4.777996|5.468868|9.650419|8.839819|17.536949|8.916560|9.709927|4.866336|3.921328|6.414747|4.250737|5.569796|3.787696|3.227603|3.894641|3.902332|2.309796|0.060603|0.055168|0.063156|0.075812|0.070974|0.071243|0.067389|0.213125|0.173267|0.211394|0.500000| |2.209017|2.388367|2.607037|2.602674|19.459001|2.816766|2.721361|2.596519|4.511906|3.318877|3.787681|3.216606|2.923970|3.252301|5.661124|4.886103|5.540226|9.812031|8.919229|17.551254|8.792956|9.267314|4.536071|3.683733|6.522093|4.544089|6.647401|3.881429|3.278043|3.939776|3.969542|2.385117|0.060268|0.054907|0.060070|0.071693|0.066825|0.064206|0.068257|0.207600|0.212309|0.173986|0.302534|0.500000| |1.719347|1.842012|1.983125|1.970370|14.857273|2.172961|2.093779|2.057801|3.578384|2.736160|3.034705|2.578638|2.523854|2.938376|4.968571|3.701254|4.114742|6.320012|6.866560|8.816206|17.400852|12.268681|6.793571|4.553774|7.596677|4.664346|7.187418|3.778837|2.922314|3.459264|3.683199|1.825441|0.046977|0.043821|0.047638|0.054317|0.055679|0.054168|0.056528|0.117563|0.205767|0.169661|0.173757|0.211156|0.500000| |1.729983|1.890376|2.016249|1.953633|14.473731|2.184793|2.153238|2.183019|3.849781|2.920799|3.052263|2.590721|2.526702|2.932089|4.963777|3.725202|4.146628|6.409542|7.056263|8.934344|17.556350|12.610605|7.641334|4.857113|7.231705|4.244466|5.717407|3.755505|2.923854|3.467962|3.676073|1.798995|0.047268|0.044128|0.049370|0.056278|0.058631|0.058764|0.056637|0.120371|0.174689|0.212431|0.213360|0.173956|0.302853|0.500000| |1.472804|1.562987|1.631331|1.610344|11.781417|1.711871|1.689300|1.687116|3.000247|2.240300|2.354946|1.926102|1.888639|2.117240|3.353864|2.495339|2.963239|3.990630|3.683509|4.540693|7.028090|12.242526|17.410103|8.886870|12.508755|5.879567|7.064264|2.789331|2.271721|2.745703|2.892720|1.530359|0.040848|0.037862|0.040953|0.046280|0.045088|0.045072|0.044585|0.078656|0.102196|0.101189|0.115282|0.115868|0.198562|0.187439|0.500000| |1.533591|1.653661|1.715325|1.663639|12.031790|1.785232|1.788986|1.822616|3.278592|2.422825|2.451284|2.005510|1.953131|2.182667|3.476220|2.614889|3.106179|4.225465|3.905383|4.852944|7.259441|12.472381|17.558838|8.908225|10.172852|5.061508|5.735585|2.849807|2.339084|2.831344|2.962909|1.571273|0.042521|0.039364|0.043569|0.049401|0.048244|0.049250|0.046167|0.083998|0.101642|0.113243|0.133964|0.115016|0.167225|0.236135|0.300596|0.500000| |1.383840|1.462136|1.490619|1.461649|10.433574|1.511446|1.520007|1.531908|2.773932|2.018513|2.046933|1.634245|1.585385|1.727298|2.664723|2.015039|2.483501|3.155654|2.708830|3.274018|4.184840|7.678855|8.844821|17.605022|16.908847|5.893615|5.059110|2.268065|1.938174|2.381465|2.460521|1.412982|0.038856|0.035686|0.038592|0.043583|0.040191|0.040944|0.038950|0.064288|0.072672|0.075291|0.090974|0.085942|0.108399|0.115647|0.217327|0.210911|0.500000| |1.556749|1.658606|1.678292|1.632247|11.494268|1.673271|1.703068|1.722878|3.154686|2.241692|2.238845|1.783160|1.699388|1.835964|2.861452|2.219435|2.751454|3.555032|3.020070|3.840379|4.712517|9.534634|8.881225|17.501613|16.551489|7.297702|5.911708|2.366673|2.058348|2.539319|2.583092|1.578923|0.043923|0.039804|0.043584|0.050123|0.044204|0.045455|0.042213|0.074153|0.078038|0.083308|0.112945|0.100113|0.112404|0.127534|0.173989|0.217591|0.300193|0.500000| |1.654904|1.704605|1.738632|1.753175|12.441554|1.728367|1.722476|1.669922|3.005708|2.140974|2.282053|1.803270|1.700432|1.816186|2.818234|2.215451|2.787318|3.540849|2.901815|3.717816|4.168823|7.680509|5.063655|5.893736|16.913853|17.605127|8.847813|2.321765|2.059728|2.554599|2.570512|1.730871|0.047017|0.042020|0.043890|0.051048|0.042762|0.042436|0.043057|0.074885|0.078717|0.073994|0.100425|0.112586|0.111801|0.098031|0.131884|0.110743|0.132298|0.147793|0.500000| |1.775098|1.861612|1.880631|1.860805|13.000587|1.841839|1.867432|1.837969|3.355459|2.340710|2.416353|1.910273|1.782121|1.898631|2.972839|2.374819|2.989739|3.873726|3.176552|4.257607|4.695032|9.526238|5.909789|7.294335|16.553629|17.501253|8.879741|2.402574|2.143627|2.661905|2.658022|1.826430|0.050575|0.044792|0.047998|0.056661|0.046218|0.046668|0.045235|0.083521|0.082374|0.082196|0.123729|0.123497|0.114594|0.112253|0.134668|0.132414|0.147779|0.217891|0.300226|0.500000| |1.950550|2.049785|2.147781|2.162170|15.628116|2.194540|2.162976|2.077989|3.695903|2.649835|2.905727|2.357487|2.187718|2.374230|3.846318|3.120796|3.798546|5.358628|4.574857|6.896153|7.133844|12.418871|5.727771|5.060251|10.185067|8.936493|17.588854|2.957793|2.568313|3.145411|3.164749|2.074665|0.054560|0.048845|0.052023|0.061743|0.053022|0.051962|0.053758|0.114498|0.120964|0.108502|0.172593|0.239857|0.180205|0.143466|0.143124|0.127705|0.110708|0.132465|0.211891|0.218081|0.500000| |1.664806|1.739706|1.826930|1.842554|13.526938|1.905431|1.859572|1.801761|3.182559|2.345940|2.577846|2.100155|2.012145|2.222310|3.551162|2.738651|3.288005|4.492069|4.002702|5.339638|6.991534|12.265797|7.077102|5.878367|12.496766|8.879329|17.406920|2.854245|2.395877|2.912952|3.006803|1.766585|0.046354|0.042336|0.044770|0.051590|0.047376|0.046345|0.048423|0.090937|0.113372|0.099290|0.127724|0.161325|0.212936|0.145885|0.207980|0.143453|0.131799|0.134729|0.217182|0.173909|0.300907|0.500000| |1.743828|1.901251|2.206979|2.179831|18.418390|2.960117|2.587414|2.562896|4.025450|3.905562|5.081560|4.665763|7.097216|9.360906|8.207784|4.445604|5.509335|4.778962|3.283927|2.603070|2.367779|2.735997|1.852321|1.623087|2.775393|1.645694|1.887276|26.162917|9.793465|8.853108|17.328094|1.873409|0.044997|0.046391|0.050922|0.052113|0.089644|0.075940|0.104796|0.084747|0.097288|0.093809|0.067729|0.069235|0.067560|0.067161|0.051596|0.052593|0.042659|0.044316|0.043592|0.044932|0.054358|0.052668|0.500000| |1.717663|1.876365|2.152708|2.121433|17.569184|2.787948|2.488122|2.476474|3.972400|3.668249|4.570084|4.320206|5.757190|9.605283|11.037634|5.193102|5.703582|5.759576|4.232502|3.176016|2.918097|3.250499|2.192594|1.873524|3.175600|1.879658|2.202917|26.082903|6.630910|6.622036|9.508045|1.842128|0.044796|0.045175|0.049837|0.052344|0.081252|0.071942|0.089592|0.097192|0.131248|0.123867|0.080312|0.082481|0.084579|0.083767|0.061505|0.062528|0.049052|0.050713|0.049306|0.050867|0.062965|0.061855|0.305713|0.500000| 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