Version2.0 2020-02-04T02:46:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccccc1C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c[nH]c5c4cc(cc5)Cl C39676440 RHF 6-31G(d) (6D,7F) CCOc1ccccc1C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c[nH]c5c4cc(cc5)Cl C01[X(C28H34Cl1N4O3)] 204 C1 612 CCOc1ccccc1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc1c[nH]c2c1cc(Cl)cc2 CCOc1ccccc1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc1c[nH]c2c1cc(Cl)cc2 CCOc1ccccc1C(=O)N2C[C@H](C(=O)NCCc3c[nH]c4ccc(Cl)cc34)C5(CC[NH2+]CC5)C2 InChIKey=VAJWUFKPYYFZTG-HSZRJFAPSA-O InChI=1S/C28H33ClN4O3/c1-2-36-25-6-4-3-5-21(25)27(35)33-17-23(28(18-33)10-13-30-14-11-28)26(34)31-12-9-19-16-32-24-8-7-20(29)15-22(19)24/h3-8,15-16,23,30,32H,2,9-14,17-18H2,1H3,(H,31,34)/p+1/t23-/m1/s1 InChI=1/C28H33ClN4O3/c1-2-36-25-6-4-3-5-21(25)27(35)33-17-23(28(18-33)10-13-30-14-11-28)26(34)31-12-9-19-16-32-24-8-7-20(29)15-22(19)24/h3-8,15-16,23,30,32H,2,9-14,17-18H2,1H3,(H,31,34)/p+1/t23-/m1/s1/fC28H34ClN4O3/h30-31H/q+1 CCOc1ccccc1C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c[nH]c5c4cc(cc5)Cl C01[X(C28H34Cl1N4O3)] 204 C01 612 CCOc1ccccc1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCc1c[nH]c2c1cc(Cl)cc2 CCOc1ccccc1C(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)C(=O)NCCc1c[nH]c2c1cc(Cl)cc2 CCOc1ccccc1C(=O)N2C[C@H](C(=O)NCCc3c[nH]c4ccc(Cl)cc34)C5(CC[NH2]CC5)C2 InChIKey=CQSUUYCGQFDAKI-HSZRJFAPSA-N InChI=1S/C28H34ClN4O3/c1-2-36-25-6-4-3-5-21(25)27(35)33-17-23(28(18-33)10-13-30-14-11-28)26(34)31-12-9-19-16-32-24-8-7-20(29)15-22(19)24/h3-8,15-16,23,32H,2,9-14,17-18,30H2,1H3,(H,31,34)/t23-/m1/s1 InChI=1/C28H34ClN4O3/c1-2-36-25-6-4-3-5-21(25)27(35)33-17-23(28(18-33)10-13-30-14-11-28)26(34)31-12-9-19-16-32-24-8-7-20(29)15-22(19)24/h3-8,15-16,23,32H,2,9-14,17-18,30H2,1H3,(H,31,34)/t23-/m1/s1/f/h31H 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12114.5949 34798.6097 41600.8640 0.99998 -0.00491 -0.00389 0.00490 0.99998 -0.00252 0.00390 0.00251 0.99999 1 0.00715 0.00249 0.00208 0.14897 0.05186 0.04338 12.75 17.39 22.23 32.64 43.15 61.74 71.06 84.35 93.50 102.90 126.63 129.51 143.40 170.97 192.37 200.19 227.13 272.95 276.23 292.48 302.53 310.31 347.76 357.45 392.72 396.37 406.07 436.46 445.28 460.56 481.83 489.35 493.94 544.21 554.90 557.25 571.18 584.43 628.81 646.88 663.60 687.09 688.77 707.65 715.43 757.56 767.85 776.42 796.82 843.69 900.32 922.78 932.26 951.04 986.23 997.91 1016.87 1045.57 1068.44 1146.47 1162.55 1173.51 1189.00 1218.17 1223.02 1232.01 1248.49 1250.94 1260.69 1263.75 1275.40 1293.27 1301.99 1317.79 1357.90 1370.72 1378.38 1398.63 1410.20 1412.51 1457.98 1482.51 1489.36 1499.44 1528.58 1550.47 1560.57 1564.71 1583.03 1599.86 1607.06 1616.44 1623.92 1632.77 1636.24 1657.81 1669.11 1670.52 1685.88 1695.17 1717.89 1731.67 1742.55 1775.99 1783.46 1794.43 1798.47 1805.50 1834.91 1868.61 1873.95 1890.02 1901.66 1912.63 1922.44 1927.34 1940.09 1955.52 1960.70 1982.58 1997.74 2005.99 2037.13 2050.23 2056.77 2069.68 2083.60 2089.91 2093.38 2096.76 2099.01 2112.14 2136.91 2149.51 2170.33 2194.64 2221.89 2224.83 2227.83 2236.00 2243.00 2244.68 2257.83 2267.96 2276.38 2278.24 2328.61 2334.01 2344.53 2345.21 2357.61 2359.82 2362.62 2368.80 2369.39 2375.97 2391.42 2398.14 2414.00 2422.79 2438.73 2469.04 2510.40 2560.48 2565.65 2603.00 2620.59 2626.64 2728.13 2779.35 4600.10 4612.15 4620.54 4622.35 4636.98 4668.14 4669.35 4669.62 4692.36 4695.28 4699.72 4711.46 4718.89 4727.16 4734.90 4737.56 4742.96 4746.24 4776.47 4793.56 4797.64 4808.03 4854.29 4857.47 4869.70 4889.37 4892.33 4900.14 4911.12 4943.67 5261.73 5364.44 5594.67 5636.18 0.638871 0.670195 0.671139 0.570978 -1981.180960 -1981.149637 -1981.148692 -1981.248854 3.359450D-04 MUNgauss RevisionA2.0 retrievium 04-Feb-2020 DUDE CCOc1ccccc1C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c[nH]c5c4cc(cc5)Cl C39676440 RHF 6-31G(d) (6D,10F) C1 509.231944 |X|Y|Z| 72.933135 41.216684 130.313961 73.169422 30 6 7 26 4 |36.858105| |12.578993|36.858105| |8.047747|13.474266|73.516695| |5.224749|7.960047|25.029005|36.858105| |4.402983|6.702144|14.024400|13.731166|36.858105| |3.345142|4.514619|9.244412|7.931403|13.735516|36.858105| |2.979302|3.787910|8.178868|6.829738|7.908362|13.784540|36.858105| |3.204393|3.986825|9.371103|7.925047|6.891308|7.994745|13.760865|36.858105| |4.088192|5.244212|14.459850|13.645427|7.919042|6.879634|7.896072|13.739144|36.858105| |3.972960|4.536521|11.996334|7.483141|5.006976|4.462761|5.064975|7.713359|12.684719|36.858105| |3.495423|3.827703|9.134048|5.523301|4.113057|3.835961|4.430504|6.396750|8.063629|15.864155|73.516695| |4.023291|4.331321|11.085249|6.016178|4.259723|3.739220|4.045443|5.460157|7.752601|13.995348|15.232044|53.358707| |4.006309|4.373076|10.775156|5.780317|4.325898|3.749867|3.893088|4.853663|6.435337|7.551421|9.437031|17.831677|36.858105| |3.363668|3.413928|7.552104|3.959414|3.211081|2.886214|3.003915|3.588031|4.314849|5.202111|7.540134|11.102113|12.373195|36.858105| |2.862035|2.953140|6.442255|3.555830|2.966227|2.764423|2.956255|3.536312|4.025720|4.815610|7.237744|9.425134|8.904351|17.499422|0.500000| |3.447251|3.317391|7.224345|3.643830|2.921134|2.614354|2.726362|3.285211|3.993367|5.242877|8.185417|11.068170|7.835188|12.304405|0.248181|36.858105| |3.468146|3.474043|7.967124|4.190330|3.236226|2.927898|3.160484|4.031404|5.018326|7.860171|12.627941|17.887443|7.869544|8.065825|0.200599|12.386502|36.858105| |4.222309|3.742975|7.792310|3.630699|2.915850|2.529040|2.545696|2.981745|3.698537|4.590971|7.251495|8.589334|6.216778|7.432476|0.152486|12.302427|7.556120|36.858105| |3.730721|3.208041|6.366259|3.029610|2.500957|2.206138|2.229380|2.580665|3.101292|3.826396|6.539563|6.395171|4.277374|4.848470|0.113091|7.424948|5.943658|12.509211|36.858105| |2.900321|2.586651|5.080573|2.527292|2.145768|1.940874|1.982654|2.271988|2.630054|3.186242|5.541426|5.252369|3.631381|4.409146|0.109383|6.489056|5.005703|7.708542|12.653459|53.358707| |2.680027|2.378483|4.588562|2.298226|1.976087|1.798128|1.834730|2.084070|2.382409|2.846037|5.058494|4.504801|3.081618|3.585458|0.091168|4.901854|4.159545|5.682819|9.155649|25.695061|0.500000| |2.810278|2.502464|4.846673|2.410556|2.071845|1.873332|1.898561|2.148898|2.472567|2.913990|4.969089|4.815971|3.508744|4.374049|0.107908|5.934477|4.353045|7.154862|9.199979|25.640056|0.327367|0.500000| |2.609222|2.428885|4.900847|2.523962|2.140263|1.971612|2.057861|2.391612|2.723304|3.382248|5.963661|5.659570|3.825124|4.860269|0.128762|7.435290|5.875899|6.466558|7.637967|17.236422|0.254390|0.255763|36.858105| |2.746816|2.625023|5.441738|2.829526|2.375044|2.185860|2.293460|2.693782|3.090645|3.862180|6.469851|6.987169|5.010392|7.483498|0.200918|12.380723|7.407608|7.497509|6.483881|10.526884|0.158144|0.199588|12.514414|36.858105| |3.176081|3.155512|6.519978|3.366175|2.875568|2.581648|2.603997|2.950271|3.435102|3.796804|5.706692|6.963624|7.326601|12.486048|0.251806|7.299261|5.015395|6.203557|4.272179|5.512096|0.092738|0.120235|4.176899|5.927794|36.858105| |3.010939|2.872390|5.713297|2.896644|2.509413|2.256396|2.261273|2.531434|2.919612|3.246354|5.063036|5.721328|5.283092|7.971229|0.178671|6.634692|4.410131|6.377638|4.605746|6.256531|0.103794|0.146148|4.523145|6.177227|15.738441|73.516695| |2.985919|3.077421|6.250076|3.339481|2.961510|2.688583|2.679801|2.948464|3.339933|3.461413|5.173035|5.945143|6.377153|7.826376|0.192324|5.001789|3.995592|4.470479|3.334506|4.295409|0.075205|0.092770|3.242828|4.256793|14.231058|15.152923|53.358707| |2.648952|2.687793|5.191663|2.770818|2.552994|2.341081|2.298144|2.451855|2.710514|2.752821|4.242938|4.479726|4.326116|4.996227|0.129098|3.770757|3.095741|3.594777|2.855845|3.766068|0.067428|0.083074|2.778454|3.444672|7.792006|12.252919|17.761375|36.858105| |2.883585|2.876673|5.322175|2.763255|2.583531|2.318855|2.212703|2.321800|2.596292|2.586739|3.998987|4.109745|3.853991|4.131530|0.102359|3.355296|2.805242|3.454915|2.786899|3.582553|0.064945|0.079285|2.537120|3.005779|5.846096|10.070340|10.387762|12.409885|36.858105| |2.452841|2.409764|4.359264|2.280930|2.168918|1.977751|1.891590|1.963913|2.156479|2.155099|3.411878|3.345763|2.973654|3.211213|0.082186|2.761190|2.344198|2.863952|2.429663|3.203540|0.059186|0.071567|2.254467|2.586109|4.255305|7.899809|6.816304|7.556425|12.691717|36.858105| |2.203314|2.192003|3.911503|2.078821|2.021462|1.865726|1.774465|1.812328|1.958455|1.927730|3.076572|2.924598|2.546602|2.671655|0.069728|2.329115|2.038035|2.398237|2.081508|2.746616|0.051464|0.060560|1.945282|2.194408|3.335621|6.034023|5.318683|5.384257|7.419251|14.102378|36.858105| |1.969024|1.933534|3.434905|1.825112|1.773417|1.647846|1.577109|1.612652|1.733255|1.722240|2.785717|2.596741|2.206820|2.341501|0.061676|2.099033|1.841573|2.169674|1.930366|2.587059|0.048993|0.057338|1.825167|2.022365|2.863271|5.330298|4.356716|4.178163|5.149107|8.517785|13.898093|53.358707| |1.818210|1.792906|3.168779|1.695283|1.661966|1.554916|1.486892|1.510169|1.610547|1.592709|2.590662|2.375964|1.995962|2.095722|0.055617|1.894186|1.684409|1.951956|1.756260|2.355766|0.044939|0.051854|1.667062|1.830727|2.501349|4.612936|3.779446|3.491824|4.135427|5.978696|9.045509|26.113972|0.500000| |1.991498|1.921987|3.433979|1.806110|1.728966|1.599960|1.542718|1.596301|1.728031|1.745818|2.835794|2.660410|2.248335|2.448155|0.064198|2.228621|1.919930|2.323398|2.081509|2.830406|0.053558|0.063743|1.978885|2.182697|3.040270|5.903120|4.461335|4.253364|5.089806|8.321924|8.544579|18.946588|0.250908|36.858105| |2.264134|2.173145|3.926150|2.042106|1.925376|1.763372|1.703044|1.781695|1.954201|1.991319|3.201873|3.094390|2.670053|2.971989|0.076576|2.663854|2.234013|2.794190|2.439471|3.302753|0.061455|0.075299|2.297082|2.585002|3.887315|7.776857|5.701890|5.736526|7.262342|13.171072|8.528580|11.622250|0.165782|13.619898|36.858105| |2.286883|2.152269|3.922267|2.019634|1.872980|1.711497|1.668420|1.769067|1.954307|2.036032|3.298320|3.203199|2.723300|3.143489|0.080496|2.911158|2.376798|3.095079|2.737676|3.802759|0.070464|0.089303|2.603577|2.905750|4.138903|9.007116|5.597399|5.172965|5.796914|7.295879|5.268409|7.300741|0.118653|7.875566|13.618419|36.858105| |2.024737|1.896271|3.433101|1.777859|1.658063|1.527429|1.494466|1.579975|1.729874|1.807605|2.972731|2.802395|2.314737|2.645964|0.068958|2.531909|2.107843|2.688128|2.479975|3.523984|0.066803|0.082806|2.405764|2.595954|3.288988|7.015011|4.375147|3.821973|4.109090|5.035037|4.195676|6.354131|0.109705|6.969799|8.028704|13.901654|36.858105| |1.821482|1.721432|3.087496|1.614700|1.526923|1.416955|1.382061|1.445744|1.566286|1.617124|2.671551|2.466217|2.021983|2.253776|0.059452|2.147520|1.836703|2.258899|2.104434|2.962819|0.056932|0.068018|2.045176|2.187024|2.723299|5.538065|3.728804|3.267036|3.553303|4.543606|4.186601|7.017619|0.126046|8.032829|6.863669|7.845588|13.594992|36.858105| |1.807023|1.729010|3.084191|1.623409|1.552155|1.443545|1.399432|1.450574|1.563948|1.592491|2.616951|2.412345|1.996356|2.184407|0.057734|2.040075|1.766663|2.131271|1.958470|2.706676|0.051857|0.061173|1.885775|2.038708|2.641695|5.200817|3.747526|3.380287|3.799722|5.255246|5.293791|10.328333|0.184455|13.667635|7.804983|6.737687|7.914299|13.862653|36.858105| |1.952906|1.806021|3.289465|1.698234|1.568165|1.447336|1.428627|1.524519|1.671496|1.778808|2.965951|2.760280|2.219217|2.575297|0.067433|2.579362|2.135944|2.756715|2.652721|3.934912|0.075778|0.094839|2.643631|2.750290|3.080828|6.717576|3.894723|3.168995|3.244749|3.588300|3.064464|4.446145|0.080549|4.247074|4.770276|7.053584|10.869967|7.015379|4.759792|448.794386| |17.557155|8.850548|12.839074|4.804061|4.003504|3.114300|2.824419|3.070958|3.912146|3.929111|6.038421|5.785033|4.447668|3.825284|0.087810|3.898563|3.711832|5.040507|4.233478|4.404833|0.081543|0.088577|2.856839|3.052801|3.714792|6.320456|4.673349|3.031479|3.358881|2.802186|2.461704|2.970914|0.055360|2.227680|2.581869|2.626250|2.287824|2.028808|2.004556|17.615617|0.500000| |17.573076|8.865372|12.920768|4.932502|4.035876|3.166317|2.907559|3.200125|4.097520|4.191401|6.794688|5.657150|3.874432|3.303352|0.078663|3.553701|3.690152|4.403909|4.095661|4.213780|0.080258|0.081382|2.764118|2.837622|3.024253|5.145048|3.780073|2.446258|2.596660|2.235958|2.008685|2.473190|0.046740|1.853881|2.099922|2.153544|1.929898|1.732641|1.702144|15.232472|0.299823|0.500000| |17.567769|8.886911|10.225840|4.237929|3.850572|3.015286|2.661404|2.783777|3.392557|3.257936|5.232515|4.457271|3.296735|2.863594|0.069026|2.919558|2.904841|3.520403|3.227678|3.528162|0.067637|0.070524|2.322974|2.413473|2.779713|4.767564|3.616171|2.429782|2.691924|2.348388|2.141759|2.627626|0.049851|1.944113|2.179438|2.186300|1.956186|1.779537|1.772983|15.098405|0.301217|0.300730|0.500000| |8.862976|17.564426|16.489195|6.915073|6.730925|4.550348|3.684824|3.721216|4.652276|3.935394|5.886978|5.269752|4.170993|3.296766|0.079696|3.081537|3.130282|3.421499|2.899804|3.267903|0.061248|0.065606|2.264830|2.477618|3.167399|5.098978|4.358035|2.848315|3.127032|2.600666|2.385530|2.826060|0.053477|2.035699|2.297285|2.231092|1.950151|1.781304|1.810684|14.645893|0.212755|0.173565|0.212746|0.500000| |8.850979|17.578106|16.535091|7.274554|6.870766|4.709437|3.866749|3.945732|4.951649|4.181373|6.555267|5.154619|3.677629|2.938884|0.072531|2.895889|3.108200|3.193481|2.848511|3.182187|0.060602|0.062427|2.213777|2.353984|2.702447|4.413934|3.603526|2.345574|2.484536|2.129555|1.967141|2.388321|0.045604|1.738946|1.937929|1.918597|1.713658|1.570649|1.578696|13.183582|0.173304|0.212077|0.212978|0.300942|0.500000| |4.684290|7.434413|12.582469|8.886824|17.769595|8.952072|5.649841|4.965931|5.629801|4.066973|6.129890|4.960055|3.789659|2.928218|0.074539|2.683257|2.879346|2.754194|2.384175|2.785637|0.052625|0.055345|2.009736|2.208895|2.715582|4.282159|3.835870|2.493352|2.595706|2.197430|2.066355|2.464565|0.047272|1.754030|1.942442|1.874481|1.660733|1.537626|1.571499|12.526447|0.115966|0.114297|0.118127|0.232726|0.220106|0.500000| |2.989521|3.918481|7.466780|5.654103|8.956171|17.722269|8.925806|5.667426|4.955901|3.565082|5.627115|4.217244|3.152242|2.523252|0.067563|2.293999|2.516837|2.237038|1.976372|2.392857|0.045537|0.047417|1.778819|1.956725|2.315136|3.642208|3.316536|2.174107|2.173949|1.881918|1.800478|2.171661|0.042103|1.537369|1.676779|1.615499|1.449240|1.355893|1.389135|10.979549|0.077398|0.078119|0.077056|0.113205|0.115428|0.217522|0.500000| |2.553776|3.133125|6.494921|4.931274|5.629978|8.903206|17.739524|8.908878|5.628763|4.134209|6.754900|4.656296|3.307597|2.667678|0.074336|2.433631|2.793223|2.258785|2.007483|2.470623|0.046956|0.048392|1.896330|2.100008|2.344378|3.654427|3.300496|2.113328|2.023316|1.754213|1.660384|2.021692|0.039106|1.449585|1.586883|1.552260|1.399995|1.302552|1.320901|10.757057|0.067692|0.069586|0.064496|0.085549|0.089318|0.124262|0.214310|0.500000| |2.815750|3.337071|7.587750|5.651060|4.962858|5.668183|8.915180|17.727613|8.969109|7.254664|12.000249|7.130219|4.485536|3.497183|0.099100|3.254054|4.098928|2.867207|2.521492|3.077745|0.057796|0.059051|2.432348|2.733669|2.836273|4.354171|3.813201|2.334115|2.174513|1.857948|1.714618|2.092906|0.040056|1.529687|1.702915|1.702567|1.530378|1.400380|1.398823|11.950010|0.075866|0.079364|0.068623|0.086568|0.091619|0.107769|0.124326|0.214495|0.500000| |4.926247|5.433537|13.579963|6.464021|4.775393|3.888115|3.801892|4.508406|6.153006|6.440587|8.303035|12.323073|17.606468|8.719073|0.174846|6.481508|6.101682|6.295916|4.275019|4.771211|0.083345|0.095549|3.488936|4.336696|6.938404|9.316054|8.623988|4.477921|4.277431|3.215698|2.736059|3.187342|0.058589|2.373285|2.837696|2.861040|2.404126|2.099954|2.086418|18.244986|0.158439|0.126103|0.109344|0.146231|0.119371|0.119863|0.091188|0.088663|0.110871|0.500000| |3.509735|4.000195|9.586815|5.792293|4.578575|4.149692|4.421131|5.482160|6.705295|6.820822|8.701343|12.321014|17.590171|8.698415|0.224142|5.691902|5.979384|4.610773|3.451307|4.154291|0.073622|0.082648|3.262176|4.178316|6.213996|8.026374|8.550632|4.311299|3.745269|2.902411|2.533586|2.967969|0.055102|2.186103|2.562327|2.556247|2.181694|1.933752|1.932705|16.584340|0.105007|0.093176|0.082467|0.109553|0.096084|0.108824|0.096236|0.104278|0.140042|0.302087|0.500000| |2.916803|2.971376|6.632882|3.677738|2.950475|2.768426|3.071606|3.920938|4.533688|6.726584|11.804264|12.330361|6.348110|6.844095|0.202503|8.733045|17.518677|5.511227|4.738837|6.010163|0.105018|0.107953|5.627585|7.108933|4.476945|7.027635|5.027711|2.905797|2.579155|2.188133|1.921586|2.378010|0.044603|1.817771|2.094192|2.221826|1.990703|1.747666|1.682048|16.253596|0.085411|0.085446|0.069586|0.075718|0.075545|0.072659|0.066658|0.077108|0.116426|0.135673|0.151484|0.500000| |3.570686|3.475001|7.779068|3.994657|3.099379|2.790114|2.985547|3.762425|4.673787|7.265717|13.518977|12.460996|5.823684|5.713916|0.142967|8.596803|17.625313|7.129332|6.628659|7.155497|0.125412|0.120898|5.871613|6.190522|4.075975|6.710305|4.545995|2.701293|2.520254|2.147571|1.884428|2.340356|0.043914|1.795455|2.067858|2.207897|1.986269|1.740076|1.667700|16.355075|0.103823|0.110145|0.083103|0.084855|0.087931|0.077340|0.066999|0.073552|0.106048|0.140390|0.129438|0.303583|0.500000| |5.473856|4.727763|10.149900|4.387310|3.391940|2.846657|2.819777|3.320988|4.313296|5.320823|8.091913|9.768130|6.847482|6.660930|0.137487|8.769735|7.261973|17.580712|9.015625|7.644604|0.127171|0.144706|4.893726|5.487704|5.496528|9.339758|5.833541|3.445097|3.417139|2.798700|2.373168|2.894119|0.053376|2.238762|2.665895|2.865798|2.485218|2.126488|2.038246|19.996494|0.186380|0.160247|0.119461|0.115732|0.108287|0.088943|0.069099|0.068250|0.086452|0.212567|0.137343|0.143364|0.198826|0.500000| |4.032731|3.541444|7.055259|3.307889|2.742642|2.382861|2.364901|2.699682|3.273961|3.822347|6.012346|6.848177|5.545662|6.964842|0.143380|8.775072|5.538045|17.633577|8.947893|9.409592|0.145171|0.209007|5.591810|6.599077|7.176586|14.956998|6.795360|4.122083|4.044471|3.325071|2.706499|3.322938|0.060244|2.656826|3.284432|3.731429|3.157071|2.584501|2.417924|25.798254|0.138808|0.111758|0.095998|0.093139|0.083357|0.073295|0.059307|0.058691|0.071686|0.164038|0.119262|0.122992|0.141906|0.302983|0.500000| |3.664763|3.200081|6.434698|3.100499|2.537968|2.251671|2.300175|2.695596|3.241805|4.130821|7.396251|6.616598|4.091527|4.384441|0.105884|6.591114|6.375520|8.699063|17.632527|12.450253|0.222519|0.181095|7.069531|5.744793|3.693922|6.764170|4.061959|2.551345|2.478034|2.170657|1.890843|2.389785|0.044738|1.871624|2.159210|2.378378|2.176035|1.881026|1.765971|18.562172|0.110289|0.116140|0.087751|0.078745|0.080602|0.066547|0.055771|0.057536|0.073835|0.111273|0.093027|0.141409|0.228048|0.214098|0.173324|0.500000| |3.915204|3.213105|6.090331|2.852988|2.397326|2.100407|2.088351|2.370307|2.830351|3.345294|5.712622|5.352455|3.703038|4.039625|0.095090|5.435478|4.559695|8.789705|17.626882|12.357513|0.224249|0.221878|5.594279|4.872359|3.790761|7.400596|4.171417|2.710410|2.733257|2.421170|2.082116|2.646555|0.049206|2.104748|2.453860|2.762925|2.526867|2.148085|1.991802|21.815127|0.124775|0.119845|0.096132|0.080892|0.079364|0.064623|0.052752|0.052338|0.063667|0.107087|0.084986|0.104642|0.139453|0.211789|0.218512|0.301326|0.500000| |2.602083|2.438623|4.959529|2.576398|2.171948|2.010478|2.119146|2.489710|2.828600|3.603457|6.618912|5.839389|3.705075|4.402610|0.118366|6.619549|6.317237|5.748152|7.075357|12.438781|0.221936|0.181014|17.617790|8.711501|3.638268|6.689395|3.978443|2.499050|2.302561|2.046524|1.789836|2.283473|0.042856|1.797957|2.061307|2.291206|2.126541|1.839310|1.713460|18.511524|0.077472|0.078011|0.064161|0.062344|0.062499|0.056244|0.050196|0.054288|0.071113|0.093170|0.088455|0.173253|0.192591|0.130189|0.131427|0.216821|0.145119|0.500000| |2.287576|2.140842|4.248400|2.217375|1.917493|1.786012|1.863906|2.135299|2.379887|2.870379|5.092685|4.649735|3.228828|4.049097|0.111323|5.439862|4.509072|4.858229|5.592061|12.353300|0.224249|0.221700|17.626860|8.778226|3.677607|7.213187|4.009343|2.600100|2.365841|2.148180|1.866446|2.412960|0.045135|1.934461|2.223037|2.541000|2.397585|2.044269|1.867445|21.665244|0.069118|0.066739|0.057507|0.056066|0.054687|0.050302|0.045185|0.048221|0.060619|0.082508|0.078988|0.125853|0.124086|0.107618|0.125590|0.145122|0.126510|0.300953|0.500000| |2.620288|2.492816|5.055127|2.622721|2.243732|2.065363|2.140600|2.461132|2.794477|3.333488|5.502603|5.880670|4.574423|7.034372|0.187728|8.846592|5.479406|6.637526|5.629836|9.465843|0.145655|0.211002|8.927462|17.598750|6.746506|14.176601|6.373301|3.885858|3.323092|2.879547|2.400945|3.022411|0.055353|2.436005|2.933787|3.389858|3.000811|2.470814|2.274884|25.746803|0.081981|0.073780|0.064773|0.066547|0.061834|0.058672|0.051855|0.054700|0.068687|0.114020|0.108600|0.145478|0.130469|0.136644|0.188948|0.131781|0.126524|0.173105|0.216898|0.500000| |2.480212|2.429895|5.065806|2.722152|2.307551|2.166784|2.315501|2.734085|3.051881|3.813740|6.501003|6.697683|4.719257|6.733948|0.213042|8.789516|6.997098|5.476943|4.887001|7.647621|0.127102|0.145207|8.993370|17.565071|5.198890|9.043334|5.434552|3.239689|2.769291|2.401402|2.069057|2.599526|0.048344|2.041093|2.382225|2.629045|2.370836|2.032095|1.910301|19.978671|0.075066|0.071031|0.060939|0.063995|0.061326|0.059078|0.053924|0.059507|0.078819|0.109625|0.115182|0.221896|0.158418|0.123359|0.136083|0.129474|0.107605|0.212881|0.211929|0.303478|0.500000| |2.980490|3.191206|6.630435|3.683932|3.286436|3.016833|3.027909|3.327971|3.726399|3.744281|5.485560|6.327928|7.104482|7.462707|0.195490|4.679554|4.024652|4.074124|3.086720|3.925718|0.069513|0.082765|3.008953|3.898976|9.418248|10.875131|26.079881|8.963999|6.178607|4.282114|3.551046|3.964134|0.071547|2.903259|3.552326|3.418477|2.768239|2.423561|2.462780|19.990856|0.093091|0.076844|0.073325|0.092826|0.076608|0.085470|0.075377|0.075765|0.087224|0.188939|0.221177|0.104829|0.092641|0.112462|0.119783|0.078812|0.078545|0.077260|0.075769|0.113681|0.104999|0.500000| |2.403638|2.489315|4.797504|2.633415|2.481444|2.322712|2.287629|2.403485|2.591775|2.581671|4.001422|4.092680|3.874195|4.271421|0.116173|3.266629|2.800416|3.057194|2.493869|3.304969|0.059986|0.071874|2.475290|3.024695|5.831703|9.049229|12.553552|17.600929|8.799694|6.575662|5.352876|5.610309|0.097876|3.984119|4.949489|4.297423|3.359711|3.000105|3.183156|22.465551|0.074707|0.061792|0.061743|0.073767|0.061228|0.067241|0.060521|0.059088|0.063787|0.109196|0.112662|0.074524|0.068181|0.082484|0.094000|0.063121|0.065758|0.062793|0.064988|0.092776|0.081340|0.229097|0.500000| |2.436774|2.423716|4.661280|2.477910|2.273652|2.100459|2.083003|2.235408|2.457939|2.551886|4.008061|4.157096|3.845956|4.704499|0.124505|3.728493|2.993454|3.539685|2.877635|3.925805|0.070259|0.088378|2.906940|3.600310|7.357329|13.532016|12.567631|17.655268|8.817489|7.172132|5.071613|5.759624|0.097574|4.593405|6.408799|6.231614|4.485473|3.698703|3.717783|29.571728|0.077229|0.063494|0.062448|0.070182|0.059365|0.061585|0.054321|0.053624|0.059919|0.107750|0.104177|0.078915|0.073024|0.091137|0.114378|0.070742|0.075794|0.071347|0.076910|0.117584|0.093771|0.183235|0.303445|0.500000| |3.295137|3.181655|5.849514|2.930933|2.681321|2.358085|2.242327|2.381921|2.725313|2.757395|4.249791|4.447113|4.161202|4.493611|0.106275|3.749254|3.053185|4.069086|3.209306|4.040321|0.072543|0.090265|2.782559|3.281321|6.455277|11.749147|9.916577|8.895061|17.549011|8.974783|5.760504|6.048217|0.101284|4.649596|6.699729|6.065333|4.250671|3.542788|3.638229|27.740066|0.110508|0.081829|0.084742|0.095198|0.074976|0.075020|0.060851|0.056421|0.061713|0.132949|0.107114|0.076196|0.076660|0.112055|0.138358|0.077668|0.088457|0.069646|0.071117|0.100837|0.081656|0.159982|0.174604|0.204569|0.500000| |2.991395|3.075959|5.625637|2.955793|2.825567|2.524687|2.366563|2.440922|2.718048|2.625695|4.025645|4.084064|3.845237|3.849470|0.095983|3.115442|2.703774|3.197854|2.593446|3.276922|0.059886|0.071129|2.331682|2.736478|5.012528|8.145459|9.094884|8.830141|17.540921|8.913643|6.970275|6.408190|0.109557|4.326663|5.469924|4.426365|3.383545|3.047494|3.313506|22.115798|0.095510|0.073541|0.077926|0.095694|0.073628|0.079844|0.066163|0.059902|0.062659|0.121261|0.106823|0.069073|0.067745|0.090726|0.100484|0.065202|0.070773|0.059812|0.060136|0.081699|0.070914|0.170033|0.218459|0.173962|0.303565|0.500000| |2.173902|2.202554|3.911705|2.104551|2.080344|1.930717|1.822345|1.837997|1.969806|1.907993|3.038286|2.859121|2.488708|2.543543|0.066786|2.203632|1.964820|2.252251|1.955056|2.557712|0.048061|0.055713|1.823667|2.055585|3.090109|5.417127|5.012744|4.854347|6.391414|8.690543|17.782807|12.219068|0.212949|5.887193|5.792891|4.094290|3.395150|3.408101|4.177025|21.008735|0.066658|0.054758|0.058909|0.067398|0.055187|0.059438|0.052192|0.047492|0.048078|0.074442|0.069899|0.051607|0.050495|0.062739|0.069403|0.049863|0.054176|0.047073|0.048452|0.061582|0.054299|0.096568|0.141942|0.121358|0.138851|0.192751|0.500000| |2.502452|2.337054|4.318777|2.201105|2.007781|1.821998|1.784255|1.915299|2.141074|2.264108|3.647655|3.636351|3.121243|3.732834|0.093601|3.466839|2.728897|3.723965|3.216225|4.483787|0.081275|0.107651|3.041000|3.460408|5.141748|12.273713|6.542819|5.764357|6.129689|6.458072|4.562514|5.903583|0.098933|5.601172|8.814632|17.741186|8.944212|5.602398|4.883356|53.832204|0.080998|0.065739|0.065458|0.066656|0.057324|0.055405|0.047331|0.045829|0.051226|0.090950|0.079713|0.070118|0.069836|0.093431|0.129795|0.075952|0.089360|0.072976|0.081539|0.115226|0.084921|0.107058|0.125436|0.197888|0.193267|0.127034|0.103142|0.500000| |1.683051|1.587786|2.843273|1.491327|1.412632|1.316501|1.287607|1.346009|1.451988|1.502636|2.502264|2.275534|1.839861|2.042692|0.054243|1.974967|1.705948|2.074098|1.968253|2.796533|0.054386|0.063945|1.931355|2.032266|2.410840|4.868771|3.266547|2.781153|2.965111|3.618518|3.420246|5.620240|0.106162|5.679238|4.950413|5.626738|8.888868|17.752736|8.953377|54.057925|0.051631|0.044796|0.045849|0.045389|0.040532|0.039489|0.035065|0.033828|0.036350|0.052777|0.048913|0.045313|0.045215|0.054215|0.065088|0.049197|0.055968|0.048460|0.054129|0.063322|0.052713|0.059720|0.071835|0.086546|0.082647|0.072273|0.080298|0.124018|0.500000| 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