Version2.0 2020-07-18T13:42:40Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 16-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(=O)C2=C(C(=O)N([C@]23c4ccccc4N(C3=O)C)CCC[NH+](C)C)[O-] C24192898 RHF 6-31G(d) (6D,7F) Cc1cc(ccc1OCC=C)C(=O)C2=C(C(=O)N([C@]23c4ccccc4N(C3=O)C)CCC[NH+](C)C)[O-] C01[X(C28H31N3O5)] 195 C1 602 C=CCOc1ccc(cc1C)C(=O)C1=C([O-])C(=O)N([C@]21C(=O)N(c1c2cccc1)C)CCC[NH+](C)C C=CCOc1ccc(cc1C)C(=O)C1=C([O-])C(=O)N([C@]21C(=O)N(c1c2cccc1)C)CCC[NH+](C)C CN1C(=O)[C@@]2(N(CCC[NH+](C)C)C(=O)C(=C2C(=O)c3ccc(OCC=C)c(C)c3)[O-])c4ccccc14 InChIKey=FHLOPVYEHZPCBK-MUUNZHRXSA-N InChI=1S/C28H31N3O5/c1-6-16-36-22-13-12-19(17-18(22)2)24(32)23-25(33)26(34)31(15-9-14-29(3)4)28(23)20-10-7-8-11-21(20)30(5)27(28)35/h6-8,10-13,17,33H,1,9,14-16H2,2-5H3/t28-/m1/s1 InChI=1/C28H31N3O5/c1-6-16-36-22-13-12-19(17-18(22)2)24(32)23-25(33)26(34)31(15-9-14-29(3)4)28(23)20-10-7-8-11-21(20)30(5)27(28)35/h6-8,10-13,17,33H,1,9,14-16H2,2-5H3/t28-/m1/s1/f/h33h,29H Cc1cc(ccc1OCC=C)C(=O)C2=C(C(=O)N([C@]23c4ccccc4N(C3=O)C)CCC[NH+](C)C)[O-] C01[X(C28H31N3O5)] 195 C01 602 C=CCOc1ccc(cc1C)C(=O)C1=C([O-])C(=O)N([C@]21C(=O)N(c1c2cccc1)C)CCC[NH+](C)C C=CCO[C]1[CH][CH][C]([CH][C]1C)[C]([C]1[C](=O)[C]([N]([C@@]21[C]1[CH][CH][CH][CH][C]1N(C2=O)C)CCC[NH](C)C)[O])=O C[C]1[CH][C]([CH][CH][C]1OCC=C)C(=O)[C]2C(=O)[C]([O])N(CCC[NH](C)C)[C@]23[C]4[CH][CH][CH][CH][C]4N(C)C3=O InChIKey=XGXFMECKTKSUOM-MUUNZHRXSA-N InChI=1S/C28H31N3O5/c1-6-16-36-22-13-12-19(17-18(22)2)24(32)23-25(33)26(34)31(15-9-14-29(3)4)28(23)20-10-7-8-11-21(20)30(5)27(28)35/h6-8,10-13,17,29H,1,9,14-16H2,2-5H3/t28-/m1/s1 InChI=1/C28H31N3O5/c1-6-16-36-22-13-12-19(17-18(22)2)24(32)23-25(33)26(34)31(15-9-14-29(3)4)28(23)20-10-7-8-11-21(20)30(5)27(28)35/h6-8,10-13,17,29H,1,9,14-16H2,2-5H3/t28-/m1/s1 3969.6986904634 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3248.5889 3249.0917 3250.0966 3253.0103 3258.0955 3274.7692 3279.6219 3280.8891 3300.4550 3304.8417 3320.0316 3328.4796 3342.1732 3348.5276 3352.0887 3354.1137 3357.5596 3358.6004 3369.4569 3376.0198 3382.6902 3390.5924 3398.7049 3404.7688 3409.3803 3454.6974 5.1462 3.8191 5.3027 5.0675 4.2993 3.6133 3.8565 3.3409 5.2149 4.1957 3.7870 4.0333 3.3322 4.0789 3.4946 2.9559 3.1684 1.4507 1.0964 3.6267 3.5137 3.8073 2.8147 2.6804 2.3173 2.3101 2.7674 4.2380 1.4619 3.5601 4.2876 2.6112 4.2103 3.8746 4.8154 4.2889 4.7969 7.5523 3.0562 7.4504 2.9560 2.4711 2.7703 4.6005 2.9671 3.0557 3.6249 7.7743 2.9392 4.1117 3.8543 5.2699 4.3865 4.7022 4.3576 5.1112 4.3381 2.2254 5.3316 5.1006 4.9766 6.4000 3.7037 3.4242 4.1473 1.8262 2.2778 4.9069 4.7851 4.1546 10.0098 2.9868 3.6595 1.7221 1.5156 2.4306 3.4314 3.7405 1.4961 3.3803 2.9569 1.5387 2.6872 1.6102 1.3988 1.3354 1.4939 1.6723 1.3506 2.4791 2.2069 3.1665 1.3101 2.3274 2.6263 1.4907 2.0503 1.9028 2.3429 3.2535 2.2759 2.1549 2.0135 1.4847 1.7507 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1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 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 1.00783 1.00783 1.00783 1.00783 1.00783 10910.2522 29358.2451 34744.2323 0.99997 -0.00755 0.00298 0.00756 0.99997 -0.00235 -0.00296 0.00237 0.99999 1 0.00794 0.00295 0.00249 0.16542 0.06147 0.05194 21.85 28.07 43.85 60.20 72.00 82.09 88.68 102.79 107.79 118.24 143.38 154.37 167.26 177.19 185.67 190.14 216.73 230.11 231.21 247.01 266.48 294.41 301.63 310.79 319.18 346.18 361.97 369.40 406.39 427.44 454.02 462.30 467.08 482.24 498.36 532.90 542.38 550.79 564.13 611.55 626.49 650.31 669.60 672.05 712.12 714.36 753.51 765.74 770.82 782.10 821.88 842.98 847.68 855.12 876.51 897.73 905.59 992.63 1025.34 1051.72 1059.83 1094.09 1149.85 1177.93 1193.02 1213.77 1223.19 1244.39 1261.88 1279.43 1288.18 1306.44 1321.60 1336.89 1397.53 1408.62 1419.31 1466.22 1468.29 1482.05 1507.74 1518.94 1523.74 1533.16 1549.99 1555.91 1579.04 1582.05 1588.42 1593.53 1613.21 1623.24 1649.46 1649.54 1664.74 1692.33 1697.94 1704.20 1711.65 1732.21 1734.35 1762.57 1791.64 1811.11 1820.06 1822.13 1826.60 1846.37 1867.04 1883.21 1906.49 1924.06 1934.90 1955.99 1987.00 2009.95 2022.75 2030.25 2038.67 2043.86 2063.88 2084.62 2088.89 2127.84 2147.16 2167.71 2200.73 2206.41 2212.76 2241.11 2253.46 2254.84 2274.65 2292.94 2297.84 2310.82 2326.97 2332.85 2339.81 2343.43 2348.92 2350.48 2354.34 2358.33 2364.15 2367.21 2369.90 2375.59 2381.78 2390.79 2397.67 2407.36 2415.34 2425.34 2476.58 2548.49 2591.98 2602.68 2611.23 2620.92 2671.70 2713.73 2713.98 2802.55 4599.90 4613.08 4625.73 4627.99 4665.80 4673.99 4674.72 4676.16 4680.36 4687.67 4711.66 4718.64 4720.47 4748.62 4754.93 4776.78 4788.94 4808.64 4817.78 4822.91 4825.82 4830.78 4832.28 4847.90 4857.34 4866.94 4878.31 4889.98 4898.70 4905.34 4970.54 0.594701 0.626891 0.627835 0.529299 -1615.391099 -1615.358910 -1615.357965 -1615.456501 3.304914D-04 MUNgauss RevisionA2.0 retrievium 18-Jul-2020 DUDE Cc1cc(ccc1OCC=C)C(=O)C2=C(C(=O)N([C@]23c4ccccc4N(C3=O)C)CCC[NH+](C)C)[O-] C24192898 RHF 6-31G(d) (6D,10F) C1 489.226371 |X|Y|Z| 121.550303 68.375524 41.550003 70.157794 20 6 7 18 2 |36.858105| |12.621821|36.858105| |7.547501|13.841351|36.858105| |4.981242|7.826465|13.610250|36.858105| |4.427879|6.820500|7.983187|13.792429|36.858105| |5.016314|7.876352|6.924167|7.911622|13.699622|36.858105| |7.549715|13.583386|7.999271|6.834983|7.929563|13.782781|36.858105| |6.952215|8.181321|5.315343|4.604344|5.195617|7.889272|14.087553|73.516695| |4.604440|5.239485|3.995695|3.782833|4.513123|6.728104|7.976218|24.131755|36.858105| |4.040054|4.094754|3.213736|2.980024|3.351679|4.428335|5.245559|14.444179|12.706389|36.858105| |3.297668|3.315889|2.719741|2.568625|2.871586|3.625120|4.050751|9.786322|7.646362|14.462744|36.858105| |3.816258|5.057448|7.700569|12.717919|7.475108|4.996599|4.449291|6.015874|2.921595|2.415064|2.138463|36.858105| |3.765882|4.642224|6.955566|8.163313|5.309777|4.038227|3.871336|5.444717|2.624382|2.231722|1.980492|15.602540|73.516695| |3.013652|3.803856|5.006313|7.337549|6.110220|4.232010|3.609766|5.115719|2.601908|2.173393|1.964383|13.197359|14.796042|36.858105| |2.728143|3.413716|4.165627|5.842481|5.835866|4.180201|3.428020|4.959219|2.603552|2.166059|1.986611|7.314061|9.350796|13.644900|36.858105| |2.262280|2.700153|3.192708|4.059072|3.986395|3.135599|2.688182|4.050560|2.158776|1.848304|1.720257|5.079576|7.519141|8.197250|12.434561|36.858105| |2.027525|2.377833|2.719579|3.329800|3.381238|2.786780|2.404774|3.706516|2.010334|1.739351|1.639787|3.881734|5.937587|5.434087|7.729101|15.596374|73.516695| |2.213282|2.599216|3.123833|3.863813|3.582742|2.847405|2.515742|3.804717|2.003407|1.735135|1.608311|5.184334|8.286727|8.153959|8.135932|14.275226|15.014010|53.358707| |2.549797|3.037769|3.833903|4.851054|4.151068|3.188797|2.848589|4.212869|2.167064|1.863622|1.702813|7.598924|12.562257|12.541137|7.951145|8.197673|9.693427|17.701965|36.858105| |2.409333|2.817514|3.478110|4.210104|3.671498|2.918540|2.643930|3.967864|2.050786|1.781207|1.620404|6.033015|11.170279|7.393859|5.341619|5.474882|7.405808|10.385211|12.566518|36.858105| |2.276513|2.660454|3.173878|3.830090|3.546698|2.872879|2.566778|3.893595|2.045768|1.777382|1.614686|4.941086|8.667298|5.789244|4.692693|4.754381|6.800062|7.939481|7.254263|13.878324|36.858105| |2.112992|2.403440|2.796642|3.201527|2.975193|2.516749|2.308021|3.573819|1.883308|1.662596|1.511785|3.887861|7.185058|4.162219|3.503734|3.542696|5.364042|5.707135|4.945598|7.988504|13.663831|36.858105| |2.071582|2.303720|2.683792|2.958108|2.671945|2.296813|2.163746|3.376896|1.762033|1.573798|1.433455|3.599543|7.077247|3.690558|3.066807|3.107206|4.753588|5.081666|4.484459|6.920909|7.920910|13.777857|36.858105| |2.170508|2.402764|2.859101|3.119117|2.719972|2.317392|2.207986|3.423459|1.764154|1.575784|1.436907|3.954640|8.245443|4.008246|3.220074|3.274965|4.934982|5.557204|5.170591|7.885368|6.790943|7.870709|13.671861|36.858105| |2.345529|2.656344|3.261110|3.688358|3.135884|2.585952|2.429680|3.699164|1.894998|1.671865|1.523787|5.076040|10.727317|5.398786|4.072005|4.165524|5.990472|7.570553|8.054291|13.715429|7.952534|6.924759|8.037845|13.827529|36.858105| |2.398356|2.688968|3.335067|3.690344|3.062490|2.536632|2.417478|3.681711|1.870490|1.655851|1.516693|5.142423|11.297108|5.398240|4.094270|4.210862|6.075564|7.675916|8.047436|8.331529|5.320611|4.604507|5.129029|7.624697|13.607345|53.358707| |2.532213|2.911917|3.679355|4.260753|3.502814|2.818585|2.636243|3.956039|2.008785|1.756869|1.612226|6.323671|12.662958|7.409003|5.397425|5.563064|7.576299|10.558971|12.299469|8.052143|5.111411|4.081387|4.131192|5.278298|8.379590|19.076172|36.858105| |2.499482|2.834744|3.524566|3.957941|3.289326|2.703403|2.559624|3.875021|1.966266|1.729487|1.599564|5.423372|10.386710|6.111605|4.997065|5.168954|7.415139|8.768486|7.772340|5.386472|3.905486|3.248637|3.290956|4.039075|5.556179|11.392141|15.855947|73.516695| |2.315254|2.505268|3.038703|3.171021|2.642524|2.265040|2.219896|3.439892|1.739981|1.563626|1.437252|4.083822|9.107706|3.999645|3.218710|3.260752|4.941199|5.492194|5.075533|5.201364|3.906766|3.666808|4.276697|6.196721|7.582119|17.977905|7.729824|11.794961|36.858105| |1.911009|2.182445|2.552136|3.004764|2.821000|2.343766|2.114135|3.274237|1.740010|1.533635|1.433832|3.797133|6.460428|5.080678|5.091342|7.782904|12.027105|17.899693|7.383252|6.125618|5.048634|3.959936|3.638826|3.970532|5.087525|7.000514|6.120963|9.547936|3.874701|36.858105| |1.801156|2.018859|2.336941|2.662372|2.477002|2.106030|1.938246|3.036456|1.610118|1.434804|1.351538|3.274426|5.719570|4.088036|4.112219|5.680897|9.708411|10.229896|5.416107|4.479111|3.702145|3.120600|3.028309|3.404241|4.207216|6.417250|5.582263|10.021652|3.867608|12.357733|36.858105| |1.696142|1.893636|2.150191|2.434031|2.321144|2.006492|1.842820|2.916023|1.561976|1.397071|1.328722|2.867396|4.887127|3.521400|3.797645|5.203910|10.224795|7.682330|4.159799|3.440416|2.996515|2.566553|2.462684|2.687917|3.194910|4.788669|4.164747|7.936248|3.044007|7.257151|12.450353|36.858105| |1.821581|2.053826|2.328992|2.663222|2.566980|2.210823|2.013315|3.171020|1.700067|1.509793|1.439665|3.087921|5.100225|3.836763|4.409279|5.994710|12.606186|7.654540|4.189437|3.290812|2.871973|2.424437|2.298213|2.493533|2.987332|4.499751|4.097094|8.132915|2.861653|5.843002|7.405009|12.740498|53.358707| |1.910302|2.187572|2.492618|2.923678|2.861160|2.424589|2.166919|3.383199|1.820038|1.600220|1.520302|3.407505|5.465653|4.434437|5.458884|8.319569|20.335010|9.336063|4.732067|3.617706|3.185329|2.623075|2.431296|2.603712|3.150849|4.620735|4.277862|8.124343|2.854107|6.556905|6.933607|9.351816|25.199394|0.500000| |1.992715|2.239153|2.566757|2.893607|2.709604|2.329968|2.154710|3.374050|1.782055|1.581787|1.504491|3.372204|5.631889|4.052501|4.456945|5.360154|9.750990|7.059722|4.306572|3.279170|2.777468|2.356060|2.275555|2.526162|3.063861|4.848371|4.584666|10.110197|3.151833|4.906600|6.154268|7.606853|17.404174|0.257374|36.858105| |1.657901|1.849134|2.047466|2.302859|2.270427|2.008137|1.836281|2.939877|1.596390|1.430556|1.379202|2.563349|4.235450|3.059740|3.541229|4.432944|9.714043|5.470862|3.198113|2.646457|2.395513|2.072405|1.965133|2.094576|2.428897|3.580168|3.114221|6.078175|2.350044|4.177633|4.937118|7.768875|17.502151|0.261484|7.771460|36.858105| |2.767419|3.498906|4.066264|5.600900|6.400859|4.706063|3.690921|5.355735|2.870001|2.349463|2.167535|5.826532|7.654214|7.860263|15.678497|8.037202|11.887047|7.500398|5.285566|4.035695|3.759002|2.965020|2.614448|2.697142|3.254276|4.455119|4.084210|7.050381|2.707091|3.984968|3.403549|3.324640|5.405680|0.134774|4.008373|3.404828|73.516695| |17.552783|8.834608|5.872929|4.273267|3.968086|4.594298|6.711781|12.408934|4.720381|4.305455|3.587466|3.358522|5.809372|2.753242|2.561699|2.144294|3.462883|2.826761|2.343495|2.187984|2.065933|1.914599|1.875242|1.965537|2.127143|2.988935|2.338613|4.175802|2.130531|1.805638|1.720104|1.640640|2.416339|0.051487|1.949672|1.632910|4.698323|0.500000| |17.550597|8.833585|5.878719|4.270135|3.965574|4.594398|6.711294|12.399649|4.733063|4.333854|3.436863|3.368594|5.948406|2.721343|2.477140|2.083164|3.340492|2.784156|2.341180|2.263408|2.179329|2.054975|2.014315|2.080333|2.207222|3.019104|2.303321|3.995323|2.145803|1.785115|1.675024|1.576193|2.283732|0.048898|1.811470|1.535405|4.464680|0.303301|0.500000| |17.577074|8.886547|7.269243|4.739763|3.972189|4.176251|5.573753|8.892217|3.656396|3.290988|2.787214|3.869315|7.142639|3.017595|2.672517|2.246901|3.561732|3.045196|2.609572|2.474411|2.301608|2.149367|2.144030|2.282671|2.463098|3.476943|2.665493|4.695817|2.515144|1.941801|1.844669|1.723092|2.500989|0.053120|2.028485|1.661412|4.709327|0.300980|0.301106|0.500000| |6.989537|8.980160|17.752043|8.960054|5.687383|4.981532|5.670641|7.616191|3.333227|2.812723|2.424801|7.279827|14.126311|4.733171|3.813313|3.049222|4.612299|4.198447|3.862790|3.541067|3.142924|2.811529|2.779901|3.044276|3.470943|4.965817|3.938376|6.741189|3.423209|2.556279|2.374968|2.158834|3.143919|0.067709|2.579676|2.016668|6.384245|0.151681|0.152253|0.223156|0.500000| |3.546826|4.932802|5.658802|8.924706|17.815901|8.973825|5.667481|7.474395|3.926802|3.001003|2.640729|6.819364|8.554935|6.698458|7.206111|4.656849|6.987750|5.426919|4.441264|3.876342|3.831797|3.124012|2.729249|2.739749|3.182470|4.165921|3.545450|5.860456|2.587128|3.080481|2.640700|2.487420|3.766965|0.087679|2.846693|2.443034|15.149863|0.090558|0.090386|0.090462|0.124655|0.500000| |4.083799|5.607832|4.982192|5.655518|8.959627|17.761972|8.889592|12.540950|7.482380|4.721227|3.926630|4.078277|5.985806|3.702825|3.837275|2.964417|4.805648|3.610591|2.875745|2.656816|2.668851|2.355342|2.131909|2.123217|2.344577|3.108631|2.524324|4.316944|2.043439|2.215948|1.990384|1.919882|2.882289|0.064716|2.195318|1.953222|7.944352|0.107977|0.107962|0.095921|0.108073|0.218548|0.500000| |4.073865|4.749971|3.806764|3.742846|4.596824|6.769750|7.034689|16.484312|17.559577|8.906562|7.240226|2.914335|4.579339|2.654347|2.728840|2.253405|3.765628|2.800398|2.193521|2.042616|2.027891|1.847092|1.720735|1.728579|1.873405|2.533310|2.024192|3.552328|1.722753|1.781454|1.652811|1.619689|2.426354|0.053186|1.867543|1.684860|5.493637|0.118765|0.110777|0.092583|0.088281|0.114129|0.227173|0.500000| |4.104932|4.801420|3.846513|3.777956|4.642565|6.862884|7.132758|16.575606|17.524267|8.935430|6.077738|2.944555|4.681970|2.643655|2.642692|2.193360|3.624161|2.772958|2.204715|2.116280|2.147528|1.983258|1.836271|1.815103|1.938578|2.565809|2.012447|3.457087|1.739837|1.769581|1.619230|1.563080|2.300092|0.050530|1.751428|1.582787|5.157317|0.111176|0.119870|0.093233|0.089150|0.114773|0.229252|0.300861|0.500000| |4.194026|4.035287|3.153869|2.861817|3.126625|4.003928|4.876403|12.999699|8.705662|17.683037|9.152117|2.342312|3.912961|2.087233|2.047245|1.759142|2.930171|2.274905|1.809107|1.749446|1.749073|1.653287|1.575431|1.575154|1.656728|2.226383|1.716869|2.991678|1.555148|1.484416|1.389381|1.344345|1.961393|0.042277|1.510628|1.360587|3.880825|0.121786|0.132455|0.095012|0.077915|0.077387|0.114071|0.172357|0.204422|0.500000| |2.967369|2.897313|2.416888|2.272021|2.488453|3.036558|3.383784|7.825204|5.483969|9.106961|17.716449|1.927870|3.213408|1.777180|1.789376|1.569610|2.668936|2.011656|1.561568|1.495177|1.490941|1.407190|1.341941|1.344625|1.416554|1.920180|1.489256|2.629785|1.346355|1.329093|1.258729|1.238136|1.816164|0.038944|1.392934|1.282638|3.435370|0.089652|0.086948|0.071076|0.060965|0.064040|0.089696|0.142879|0.130717|0.218101|0.500000| |3.053783|3.159023|2.647197|2.552808|2.894830|3.630864|3.885954|8.862024|6.926004|9.087352|17.691738|2.134700|3.480154|1.987943|2.042837|1.769431|3.021114|2.229226|1.716972|1.619194|1.610729|1.497684|1.414344|1.419456|1.513987|2.057280|1.619309|2.869466|1.426169|1.458654|1.376985|1.363858|2.025557|0.043735|1.552284|1.434348|4.018494|0.092429|0.085823|0.072575|0.065358|0.075035|0.111977|0.216667|0.155259|0.173416|0.289215|0.500000| |2.258897|2.676085|3.143570|3.897765|3.805120|3.057576|2.654468|4.021428|2.142999|1.845225|1.678315|4.808504|7.835776|5.903990|5.186641|5.199652|7.483798|7.958929|6.539083|8.947073|17.710697|8.856438|5.632160|4.909005|5.648411|5.872406|4.445040|6.341035|3.295726|4.895144|3.542402|2.976183|3.965620|0.091836|2.764568|2.458060|7.482289|0.057273|0.060184|0.062423|0.083961|0.119344|0.080217|0.059420|0.063059|0.050069|0.042849|0.046746|0.500000| |1.993163|2.254758|2.561560|2.906762|2.786128|2.407229|2.201885|3.451824|1.842073|1.633637|1.487989|3.366478|6.071346|3.572839|3.142331|3.164089|4.930300|4.873211|4.006743|5.669551|8.885350|17.723292|8.927632|5.618978|4.979335|4.975753|3.345700|4.920081|3.044028|3.426921|2.749096|2.327998|3.009753|0.066505|2.129321|1.926763|4.876737|0.050355|0.054442|0.055796|0.070603|0.081764|0.063545|0.050071|0.054371|0.045195|0.038558|0.040910|0.213497|0.500000| |1.931881|2.112831|2.411106|2.598310|2.376943|2.090202|1.990914|3.152098|1.652807|1.491826|1.362124|3.044474|5.953222|3.067648|2.621963|2.650510|4.151938|4.211863|3.579714|4.976358|5.639774|8.942425|17.711130|8.927640|5.694440|5.619466|3.392746|5.000682|3.699391|3.070956|2.638402|2.193759|2.786039|0.059655|2.025676|1.779483|4.070764|0.048722|0.052718|0.055562|0.069429|0.067001|0.054297|0.044647|0.047906|0.041704|0.035612|0.037214|0.123943|0.215854|0.500000| |2.081781|2.255315|2.649887|2.802061|2.441292|2.120787|2.055462|3.223503|1.657730|1.496278|1.368643|3.447244|7.283749|3.406844|2.800083|2.843594|4.376050|4.713584|4.224714|5.609456|4.910550|5.615485|8.861527|17.732963|8.871750|9.210316|4.632994|6.656912|6.666428|3.440743|3.111983|2.494445|3.140016|0.065822|2.364071|1.959361|4.255256|0.052558|0.055564|0.061466|0.079620|0.067467|0.054041|0.045013|0.047105|0.041731|0.035758|0.037464|0.106800|0.123787|0.214845|0.500000| |2.056904|2.203747|2.606130|2.718132|2.331345|2.026846|1.982939|3.113966|1.592321|1.442365|1.332773|3.383743|7.190116|3.399671|2.840713|2.956075|4.587029|4.967526|4.308863|4.622167|3.650383|3.566108|4.295457|6.216101|6.676270|12.422114|5.886170|9.252328|17.565405|3.714085|3.773097|2.956308|3.671505|0.074060|2.895792|2.243477|4.304977|0.052934|0.053585|0.061591|0.080047|0.064040|0.051438|0.043798|0.044379|0.039912|0.034836|0.036745|0.085553|0.083054|0.106061|0.203289|0.500000| |2.317926|2.491352|3.008095|3.106409|2.590096|2.233421|2.200898|3.420604|1.727484|1.555933|1.437276|3.930858|8.513233|3.863798|3.189565|3.234852|4.959061|5.324742|4.718720|4.412862|3.386371|3.117524|3.480164|4.634503|5.657567|12.638989|7.514429|13.815837|17.667231|3.745199|3.951736|3.180365|4.125535|0.082332|3.471193|2.480272|4.819421|0.059964|0.059027|0.070214|0.094519|0.070175|0.055964|0.047799|0.047556|0.042825|0.037406|0.039750|0.082207|0.073664|0.085214|0.134565|0.300136|0.500000| |2.495369|2.665867|3.245546|3.279890|2.690422|2.327353|2.319161|3.593672|1.799305|1.620952|1.480435|4.133752|9.692521|3.799194|3.027844|2.955644|4.493481|4.799245|4.501087|4.767556|3.739600|3.610340|4.286529|6.110775|6.771966|12.437123|6.160286|9.529838|17.571365|3.300776|3.217156|2.629446|3.438165|0.070649|2.776772|2.117756|4.603546|0.063001|0.064442|0.076519|0.104386|0.071821|0.057860|0.049022|0.049963|0.045104|0.038571|0.040539|0.087865|0.083982|0.105026|0.191028|0.299245|0.300143|0.500000| |1.884213|2.135995|2.501332|2.906524|2.695997|2.253438|2.052739|3.187318|1.688204|1.494672|1.392108|3.696525|6.532791|4.712420|4.392979|5.860878|8.946006|12.657543|7.173430|7.200472|5.865837|4.693444|4.386785|4.841327|6.201913|7.942860|6.172893|8.972849|4.278975|17.620374|8.913071|5.471702|6.057050|0.132920|3.982516|3.406350|6.202855|0.049093|0.049223|0.053498|0.070356|0.080681|0.058973|0.047561|0.047898|0.040463|0.035960|0.039100|0.147131|0.109391|0.100657|0.113768|0.117247|0.109828|0.100144|0.500000| |1.790921|2.043139|2.345918|2.760451|2.674945|2.250839|2.013135|3.144787|1.692952|1.494786|1.404288|3.350594|5.591601|4.407675|4.719847|7.333168|13.162233|12.581767|5.666430|5.040523|4.626125|3.708683|3.312872|3.442570|4.152186|5.488519|4.606914|7.422072|3.191621|17.588568|8.788422|6.897182|7.634447|0.181921|4.372067|4.276877|6.882324|0.047227|0.046781|0.050091|0.064384|0.082452|0.060059|0.048342|0.048061|0.040074|0.036179|0.039825|0.132198|0.092562|0.079288|0.083526|0.086169|0.085789|0.077801|0.303717|0.500000| |1.908747|2.131045|2.496045|2.812298|2.549791|2.162158|2.013245|3.140342|1.647039|1.468282|1.379093|3.520592|6.311034|4.287130|4.112452|5.266321|8.494148|9.551324|5.766355|4.597827|3.627968|3.076979|3.067267|3.584165|4.550750|7.622964|6.922702|13.539868|4.637123|8.786421|17.629105|8.799690|9.050521|0.167718|6.732497|4.491474|6.006795|0.050563|0.048956|0.054843|0.071607|0.074146|0.056090|0.046828|0.045736|0.039585|0.035681|0.038921|0.094176|0.074357|0.074020|0.092392|0.122805|0.137172|0.103407|0.206084|0.173311|0.500000| |1.661059|1.839679|2.106681|2.360477|2.204676|1.902828|1.766182|2.793837|1.486376|1.335454|1.260617|2.851896|5.077932|3.424204|3.388154|4.413500|7.689721|7.630645|4.448083|4.029707|3.444252|3.024602|2.993954|3.347946|3.950846|5.871321|4.658335|8.171725|3.695406|8.941432|17.523285|9.153476|7.555996|0.143101|4.736959|4.202675|5.118099|0.044070|0.043234|0.047366|0.059759|0.064845|0.050185|0.042189|0.041614|0.036075|0.032768|0.035581|0.090422|0.074623|0.073559|0.086547|0.104869|0.103275|0.085407|0.229530|0.206050|0.305033|0.500000| |1.607300|1.770962|1.995233|2.213914|2.100830|1.842326|1.714476|2.735861|1.464068|1.320488|1.260627|2.571597|4.460089|3.040454|3.202955|4.079358|7.798813|5.998884|3.530356|3.004412|2.629094|2.309890|2.259891|2.482705|2.891511|4.403365|3.713914|7.273283|2.920516|5.396266|8.857469|17.586274|12.459912|0.181800|6.969880|7.130893|5.094724|0.043389|0.041522|0.045571|0.056111|0.061655|0.048958|0.042099|0.040521|0.035380|0.032769|0.035906|0.071748|0.058483|0.056635|0.065296|0.079869|0.086287|0.070086|0.124635|0.141148|0.212712|0.224202|0.500000| |1.595981|1.781222|2.000995|2.269087|2.204247|1.919956|1.753224|2.791164|1.509398|1.352737|1.290350|2.629197|4.446909|3.220263|3.538204|4.871777|10.215760|6.912812|3.731898|3.213637|2.908675|2.511720|2.376704|2.530146|2.939434|4.231607|3.564784|6.523045|2.695319|6.701274|8.845838|17.606793|12.521506|0.227016|5.614302|7.417389|5.621191|0.042907|0.041488|0.044759|0.055330|0.066275|0.051583|0.043520|0.042179|0.036129|0.033437|0.036850|0.081692|0.064247|0.059243|0.064978|0.073553|0.076649|0.065740|0.143779|0.206998|0.173338|0.218301|0.301723|0.500000| |2.164783|2.453141|2.884845|3.285282|2.980915|2.508583|2.322713|3.586138|1.870483|1.649952|1.554630|4.008864|6.761684|4.906502|5.107617|6.052712|9.848181|8.593700|5.418836|3.886947|3.155599|2.634356|2.558723|2.902753|3.643646|6.012161|6.141654|14.864628|3.794169|5.603849|6.852749|6.881596|12.211492|0.221879|17.667964|5.624244|7.683368|0.058196|0.054361|0.061716|0.081510|0.086321|0.064632|0.054053|0.051152|0.043945|0.039898|0.044293|0.085743|0.065015|0.062424|0.074922|0.094195|0.117583|0.091124|0.126773|0.129373|0.234031|0.140613|0.169075|0.141814|0.500000| |1.860549|2.052256|2.326148|2.554849|2.383552|2.088889|1.963249|3.111849|1.643953|1.475940|1.409903|2.934329|5.038993|3.380950|3.580707|4.159944|7.566262|5.710728|3.641357|2.909627|2.485784|2.159751|2.120892|2.365472|2.810141|4.486807|4.042258|8.962770|3.041911|4.202700|5.547999|6.941884|12.331343|0.179879|17.612188|6.999142|5.822339|0.050796|0.047147|0.052958|0.065716|0.068607|0.054784|0.047659|0.044758|0.039315|0.036478|0.040318|0.067972|0.054443|0.053015|0.062568|0.078930|0.094764|0.074265|0.098950|0.104934|0.173304|0.127067|0.209335|0.143425|0.298362|0.500000| |2.074992|2.342679|2.657922|2.996159|2.849895|2.468967|2.275373|3.565569|1.888101|1.669907|1.594890|3.374289|5.502205|3.984010|4.561458|5.097968|9.441782|6.214250|3.933037|3.016022|2.604354|2.213122|2.121132|2.325063|2.787899|4.325888|4.045516|8.715680|2.837548|4.104343|4.678590|5.581977|12.384354|0.222250|17.642956|7.277276|7.717040|0.056953|0.052084|0.058179|0.073194|0.083106|0.064837|0.055543|0.051175|0.043980|0.040861|0.046016|0.073066|0.056081|0.052723|0.060445|0.071926|0.086247|0.071224|0.094746|0.105139|0.138029|0.104928|0.143418|0.127270|0.300774|0.299057|0.500000| |1.568624|1.749827|1.926127|2.173060|2.169425|1.926527|1.752032|2.817010|1.542046|1.384091|1.336203|2.407012|3.972042|2.881818|3.350404|4.266062|9.761546|5.249572|3.029114|2.572871|2.380196|2.068321|1.943816|2.042030|2.340531|3.369319|2.871671|5.420519|2.201307|4.141619|4.680206|7.188010|12.349947|0.226570|5.635116|17.646713|5.756357|0.042810|0.040649|0.043497|0.052449|0.065460|0.052517|0.045157|0.042755|0.036586|0.034564|0.038608|0.068557|0.053901|0.049067|0.052867|0.058967|0.063504|0.055340|0.094230|0.124690|0.112904|0.114650|0.176642|0.229944|0.126092|0.142710|0.147272|0.500000| 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