Version2.0 2020-07-19T04:20:17Z 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 CCc1cccc2c1[nH]cc2[C@H](CC(=O)N[C@@H](C)CCC[NH+](CC)CC)c3ccc(c(c3)OC)OC C37380238 RHF 6-31G(d) (6D,7F) CCc1cccc2c1[nH]cc2[C@H](CC(=O)N[C@@H](C)CCC[NH+](CC)CC)c3ccc(c(c3)OC)OC C01[X(C30H44N3O3)] 234 C1 628 CC[NH+](CCC[C@@H](NC(=O)C[C@@H](c1c[nH]c2c1cccc2CC)c1ccc(c(c1)OC)OC)C)CC CC[NH+](CCC[C@@H](NC(=O)C[C@@H](c1c[nH]c2c1cccc2CC)c1ccc(c(c1)OC)OC)C)CC CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](c1ccc(OC)c(OC)c1)c2c[nH]c3c(CC)cccc23 InChIKey=NYOVPJMALYCNGK-SQJMNOBHSA-O InChI=1S/C30H43N3O3/c1-7-22-13-10-14-24-26(20-31-30(22)24)25(23-15-16-27(35-5)28(18-23)36-6)19-29(34)32-21(4)12-11-17-33(8-2)9-3/h10,13-16,18,20-21,25,31H,7-9,11-12,17,19H2,1-6H3,(H,32,34)/p+1/t21-,25+/m0/s1 InChI=1/C30H43N3O3/c1-7-22-13-10-14-24-26(20-31-30(22)24)25(23-15-16-27(35-5)28(18-23)36-6)19-29(34)32-21(4)12-11-17-33(8-2)9-3/h10,13-16,18,20-21,25,31H,7-9,11-12,17,19H2,1-6H3,(H,32,34)/p+1/t21-,25+/m0/s1/fC30H44N3O3/h32-33H/q+1 CCc1cccc2c1[nH]cc2[C@H](CC(=O)N[C@@H](C)CCC[NH+](CC)CC)c3ccc(c(c3)OC)OC C01[X(C30H44N3O3)] 234 C01 628 CC[NH+](CCC[C@@H](NC(=O)C[C@@H](c1c[nH]c2c1cccc2CC)c1ccc(c(c1)OC)OC)C)CC CC[NH](CCC[C@@H](NC(=O)C[C@@H]([C]1=CN[C]2[C]1[CH][CH][CH][C]2CC)[C]1[CH][CH][C]([C]([CH]1)OC)OC)C)CC CC[C]1[CH][CH][CH][C]2[C]1NC=C2[C@H](CC(=O)N[C@@H](C)CCC[NH](CC)CC)[C]3[CH][CH][C](OC)[C]([CH]3)OC InChIKey=OJKGOFUGUGHDTP-SQJMNOBHSA-N InChI=1S/C30H44N3O3/c1-7-22-13-10-14-24-26(20-31-30(22)24)25(23-15-16-27(35-5)28(18-23)36-6)19-29(34)32-21(4)12-11-17-33(8-2)9-3/h10,13-16,18,20-21,25,31,33H,7-9,11-12,17,19H2,1-6H3,(H,32,34)/t21-,25+/m0/s1 InChI=1/C30H44N3O3/c1-7-22-13-10-14-24-26(20-31-30(22)24)25(23-15-16-27(35-5)28(18-23)36-6)19-29(34)32-21(4)12-11-17-33(8-2)9-3/h10,13-16,18,20-21,25,31,33H,7-9,11-12,17,19H2,1-6H3,(H,32,34)/t21-,25+/m0/s1/f/h32H 4038.1691787480 -1549.4185209 1-A 22576.4211 134 494 628 |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|A|A|A|A|A|A|A|A|A|A|A|A| -20.63531 -20.63305 -20.60779 -15.82673 -15.68467 -15.66976 -11.43054 -11.42555 -11.42513 -11.41788 -11.36236 -11.35732 -11.35559 -11.34925 -11.34775 -11.34594 -11.34582 -11.34097 -11.33350 -11.32792 -11.32515 -11.32341 -11.31637 -11.31534 -11.31495 -11.31339 -11.31289 -11.31081 -11.30810 -11.30782 -11.29753 -11.29639 -11.29204 -11.28466 -11.28323 -11.28136 -1.47815 -1.47520 -1.46620 -1.45318 -1.38329 -1.32532 -1.22605 -1.21746 -1.21122 -1.19822 -1.17588 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39.57 51.56 58.08 78.22 84.07 94.79 97.18 105.83 116.90 118.60 136.07 136.92 151.13 165.56 190.68 195.18 206.24 221.91 239.64 246.92 263.44 299.09 306.16 309.21 321.73 329.58 340.37 349.64 356.14 383.29 397.25 411.29 435.29 446.53 461.28 463.00 491.46 502.67 512.78 537.99 586.62 594.01 614.01 638.95 653.01 705.19 711.96 734.85 743.71 746.82 762.48 780.63 795.13 803.02 819.74 882.75 900.74 923.17 941.33 951.89 978.60 1010.21 1025.62 1059.17 1114.13 1144.85 1150.70 1163.37 1202.58 1216.27 1217.10 1229.50 1247.45 1274.19 1289.85 1299.23 1331.86 1337.34 1339.10 1373.29 1403.43 1403.72 1416.01 1420.62 1454.71 1470.62 1483.97 1493.77 1496.63 1514.33 1522.52 1559.39 1571.35 1573.23 1584.69 1604.87 1623.83 1629.48 1633.43 1659.17 1677.80 1686.66 1697.59 1708.87 1717.81 1722.08 1726.53 1755.22 1757.47 1778.83 1830.07 1834.34 1837.21 1856.19 1862.03 1862.47 1867.09 1887.01 1896.76 1906.84 1919.35 1932.80 1938.77 1952.68 1966.27 1971.22 1993.58 2011.38 2019.63 2034.43 2045.65 2049.11 2057.16 2067.35 2081.37 2088.68 2109.21 2116.42 2131.98 2135.98 2150.81 2184.38 2190.20 2196.49 2216.15 2240.08 2242.39 2251.96 2259.07 2269.97 2274.93 2276.61 2283.83 2286.54 2292.83 2298.59 2304.63 2329.68 2338.62 2346.56 2348.49 2355.60 2356.09 2356.22 2358.58 2360.23 2361.00 2362.89 2365.42 2366.54 2375.67 2376.25 2378.26 2381.19 2385.24 2386.92 2387.34 2390.30 2393.37 2450.52 2457.09 2486.74 2561.03 2575.84 2598.92 2611.16 2778.70 4592.31 4595.25 4611.50 4611.89 4613.13 4621.13 4627.87 4642.01 4653.05 4655.46 4658.79 4675.54 4685.06 4696.78 4700.40 4701.15 4706.55 4709.99 4714.36 4714.68 4724.20 4726.76 4726.95 4738.28 4745.85 4754.92 4756.40 4767.64 4773.75 4797.82 4799.16 4803.80 4818.22 4826.76 4828.37 4839.58 4854.24 4883.43 4895.98 4900.64 4959.80 5226.43 5571.31 5639.42 0.757460 0.793861 0.794805 0.685009 -1548.661061 -1548.624660 -1548.623716 -1548.733512 3.682576D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE CCc1cccc2c1[nH]cc2[C@H](CC(=O)N[C@@H](C)CCC[NH+](CC)CC)c3ccc(c(c3)OC)OC C37380238 RHF 6-31G(d) (6D,10F) C1 494.338268 |X|Y|Z| 123.495770 74.509859 42.110448 72.904090 16 6 7 15 1 |36.858105| |12.410677|36.858105| |7.484242|12.582821|36.858105| |5.518701|7.516898|13.811056|36.858105| |4.085554|4.964437|7.811982|13.532771|36.858105| |3.712147|4.362765|6.675916|7.852905|13.838502|36.858105| |4.176162|4.939798|7.714522|6.864222|7.979536|13.599334|36.858105| |5.756237|7.473627|13.587080|8.083108|6.955105|7.883945|13.573359|36.858105| |5.324558|6.190703|7.606865|5.179147|4.661288|5.365504|8.533445|13.922499|53.358707| |5.928733|6.544517|6.676584|4.558597|3.947720|4.276740|5.971444|9.035842|26.119214|0.500000| |3.944458|4.321728|5.290092|4.199213|4.187474|5.265464|8.533845|8.543544|18.909606|0.252241|36.858105| |3.551213|3.950421|5.223551|4.544580|5.011967|7.269892|13.147547|8.295331|11.569740|0.166252|14.095113|36.858105| |2.798060|3.015615|3.757059|3.524708|4.050737|5.687429|7.150657|5.043888|6.981107|0.114920|7.419999|12.530199|36.858105| |2.700902|2.903968|3.672146|3.629744|4.413304|6.440337|6.945769|4.695963|6.001467|0.100531|5.646860|9.017449|17.598732|0.500000| |2.423899|2.662949|3.212771|3.046191|3.450397|4.546688|5.294453|4.094117|5.747852|0.098636|5.665053|7.492811|12.392581|0.250716|36.858105| |2.350298|2.656282|3.250148|3.205830|3.748001|4.910975|5.178432|3.972111|5.201063|0.089792|4.600300|6.020455|7.458218|0.200094|12.557553|36.858105| |2.355063|2.663721|3.324708|3.441520|4.261601|5.705486|5.316403|3.936090|4.862647|0.084026|4.102157|5.511784|6.574608|0.209790|7.960623|15.806683|73.516695| |2.186642|2.494655|2.952091|2.882364|3.231977|3.936330|4.172942|3.491388|4.684090|0.083396|3.971764|4.657340|5.141675|0.133411|7.852184|14.067568|15.114873|53.358707| |1.993171|2.281773|2.658125|2.672060|2.994049|3.460340|3.456893|2.988547|3.906839|0.071139|3.138908|3.584957|3.811377|0.104441|5.011082|7.700097|12.051918|17.805408|36.858105| |1.929985|2.189444|2.570441|2.646886|3.044869|3.525628|3.375856|2.859517|3.665762|0.066605|2.940958|3.440995|3.761946|0.107831|4.783094|7.471791|13.760572|12.648724|17.608653|0.500000| |1.754511|1.975283|2.230408|2.216853|2.418861|2.724438|2.765627|2.475510|3.327620|0.062067|2.667862|2.923387|3.133377|0.084597|4.064770|5.247630|8.155157|10.655064|12.469954|0.247223|36.858105| |2.110142|2.480133|2.878218|2.917763|3.206619|3.545290|3.493904|3.135022|4.005907|0.073486|3.063160|3.411923|3.361028|0.092181|4.037248|5.647696|9.632967|10.447572|12.411893|0.247193|7.550072|36.858105| |2.400384|2.893677|3.497488|3.688952|4.193927|4.569195|4.244400|3.736177|4.494672|0.080921|3.333010|3.828161|3.603434|0.101726|4.025927|5.626769|10.774591|8.464098|7.422490|0.192605|4.878236|12.436338|36.858105| |2.433668|2.994441|3.490926|3.729094|3.978701|3.945184|3.672365|3.487358|4.168807|0.077227|2.941439|3.218592|2.929734|0.082103|3.128378|3.936123|7.373385|5.811396|4.885686|0.127512|3.789922|7.592821|12.498843|36.858105| |2.674387|3.343877|3.961919|4.568882|4.858511|4.367173|3.828041|3.701659|4.213665|0.078182|2.879906|3.165031|2.818891|0.080615|2.854133|3.450120|6.711342|4.738685|3.744563|0.102714|2.994340|4.925260|7.544176|12.613509|53.358707| |3.017690|3.852652|4.863400|5.881566|6.506924|5.635015|4.728524|4.502945|4.876755|0.088538|3.292838|3.695790|3.198691|0.092135|3.151798|3.796219|7.506841|5.005594|3.773369|0.103959|2.957156|4.727214|7.471773|9.254327|25.595816|0.500000| |2.330432|2.783851|3.249746|3.845376|4.299081|3.854955|3.253653|3.057555|3.529811|0.065890|2.470499|2.749673|2.550799|0.074783|2.577982|3.113671|6.269449|4.209978|3.420450|0.098762|2.792958|4.242346|5.949634|7.684347|17.182984|0.257176|36.858105| |2.421762|2.843049|3.326557|4.172162|4.742040|3.949457|3.206221|3.027008|3.431702|0.064276|2.378970|2.653737|2.453952|0.073087|2.393529|2.792976|5.683611|3.640953|2.839339|0.082853|2.363790|3.289431|4.351075|4.970461|10.205757|0.202235|12.527218|36.858105| |2.769474|3.517851|3.881345|4.352892|4.156447|3.610428|3.321004|3.436203|3.987329|0.076353|2.639717|2.779936|2.440431|0.068624|2.440037|2.811742|5.281126|3.895371|3.010509|0.081080|2.538619|3.823735|4.995956|7.622856|17.216422|0.257612|7.652594|6.025061|36.858105| |3.271382|4.414461|4.642406|4.795063|4.177714|3.668218|3.592192|3.983171|4.661248|0.090847|2.956734|2.999138|2.538323|0.069685|2.511208|2.808019|5.104385|3.894906|2.887613|0.075772|2.459709|3.591112|4.475107|6.079944|10.239918|0.201550|4.953411|4.328470|12.518393|36.858105| |2.616677|2.691617|3.184185|2.953933|3.255081|4.178522|5.046944|4.085517|6.013292|0.105216|6.253785|7.575836|12.469657|0.250179|7.482070|4.900367|7.886220|5.234703|3.018150|0.082901|2.636544|2.683615|2.800275|2.378031|3.145123|0.071410|2.126268|2.077260|2.062555|2.156103|36.858105| |2.353008|2.406757|2.738751|2.515084|2.692139|3.294523|3.921217|3.414089|5.241827|0.095981|5.290529|5.509929|7.440325|0.159102|6.453506|4.271688|6.603511|4.915102|2.845647|0.076767|2.587722|2.508652|2.526474|2.171446|2.825601|0.062987|1.909623|1.846578|1.879149|1.974797|13.885259|36.858105| |2.171558|2.164571|2.396817|2.212017|2.332344|2.752832|3.177564|2.881595|4.401421|0.083710|4.117595|4.100406|4.957624|0.118124|4.395051|3.264383|5.246345|3.900185|2.363804|0.064263|2.200783|2.118987|2.132194|1.875999|2.466804|0.054527|1.685522|1.646826|1.665289|1.748160|7.898685|13.591642|36.858105| |2.186525|2.132633|2.354566|2.195590|2.316597|2.700341|3.050642|2.780067|4.145241|0.079339|3.721338|3.762429|4.394274|0.111482|3.688651|2.888140|4.826062|3.424280|2.127419|0.058651|1.967526|1.936204|1.982630|1.764236|2.360629|0.052337|1.628463|1.615770|1.600752|1.673512|6.781569|7.895648|13.888835|36.858105| |2.401087|2.329853|2.629472|2.479618|2.659315|3.143582|3.516670|3.120403|4.509319|0.084498|4.026028|4.279518|5.017631|0.133530|3.858312|3.065365|5.277938|3.528026|2.197364|0.061301|1.987972|2.014382|2.109776|1.872129|2.542300|0.057008|1.760243|1.768148|1.712439|1.782282|7.851638|6.866047|7.941317|13.467771|36.858105| |2.647229|2.632920|3.090228|2.918570|3.217395|4.008893|4.588218|3.815072|5.409127|0.096966|5.082225|5.926630|7.579021|0.202074|5.016987|3.836197|6.632696|4.213932|2.561276|0.071647|2.255171|2.333638|2.480902|2.158864|2.930937|0.066649|2.013715|2.015707|1.942052|2.018853|13.555928|7.995052|6.918421|7.909351|13.876580|36.858105| |2.306262|2.191730|2.436753|2.333013|2.485333|2.842260|3.069559|2.788963|3.935774|0.075124|3.318358|3.492885|3.871160|0.107840|3.093162|2.594404|4.575942|3.036234|1.941323|0.054548|1.765933|1.804263|1.902290|1.714618|2.359075|0.052712|1.651623|1.682167|1.602943|1.660335|5.172226|4.630363|5.311650|8.172081|14.195319|7.911527|73.516695| |2.415229|2.279756|2.561875|2.509815|2.705879|3.055564|3.183765|2.872272|3.896746|0.073886|3.177725|3.437120|3.701493|0.108302|2.922623|2.542278|4.616497|2.955442|1.915648|0.054357|1.723343|1.800260|1.931631|1.750632|2.448643|0.055036|1.729686|1.790924|1.661241|1.708297|4.502190|3.803418|3.995539|5.243062|8.032684|6.740130|24.218340|36.858105| |1.988407|1.914034|2.069937|1.941876|2.026034|2.299216|2.544253|2.376476|3.515045|0.068789|3.016398|2.999870|3.358139|0.087592|2.936096|2.404002|4.063724|2.918004|1.855428|0.051247|1.740176|1.704840|1.739750|1.570373|2.109856|0.046413|1.465823|1.461308|1.445333|1.508369|4.591705|5.182709|7.897188|14.189260|8.159190|5.297913|13.157018|4.798809|73.516695| |1.805539|1.747804|1.864598|1.745222|1.805945|2.028344|2.240694|2.121811|3.163567|0.062718|2.685598|2.624598|2.905814|0.075107|2.666846|2.207432|3.690213|2.743297|1.756205|0.048186|1.676236|1.612179|1.622078|1.471360|1.960449|0.042760|1.361332|1.347553|1.350356|1.411007|3.777881|4.503431|6.732698|8.041767|5.241771|3.989618|8.529402|3.551726|24.210661|36.858105| |17.558222|8.727644|6.769409|4.909705|3.895168|3.749831|4.431918|6.134368|8.491548|0.202314|4.558181|3.930914|3.052419|0.080494|2.589844|2.444584|4.302946|3.066511|2.019022|0.054193|1.781487|2.101673|2.360445|2.337614|3.418216|0.078699|2.199255|2.261810|2.538529|2.955022|2.916938|2.620929|2.426830|2.453256|2.700573|2.969555|4.582775|2.671666|3.943165|1.999369|0.500000| |17.571850|8.780812|6.774572|5.741487|4.270309|3.744407|3.996461|5.135607|6.126991|0.130800|3.542647|3.340748|2.697648|0.073981|2.318087|2.262814|4.101146|2.838157|1.916351|0.052163|1.684205|2.020082|2.315130|2.343753|3.568194|0.082393|2.335836|2.489865|2.696206|3.079117|2.531759|2.251421|2.091589|2.137597|2.382433|2.620180|4.141352|2.496233|3.474101|1.761651|0.302496|0.500000| |17.558643|8.780323|5.473870|4.352395|3.365624|3.083847|3.417021|4.467696|5.938674|0.138771|3.371260|3.016186|2.448800|0.065470|2.169524|2.107563|3.731662|2.710983|1.832899|0.049154|1.635438|1.945605|2.179870|2.237822|3.318267|0.074762|2.137990|2.209825|2.576562|3.057781|2.321415|2.132113|1.993140|2.002829|2.162956|2.339649|3.716718|2.169124|3.282148|1.696984|0.301461|0.301179|0.500000| |8.828493|17.510055|8.889173|5.719137|4.206149|3.920082|4.616892|6.922003|9.026234|0.212251|4.501097|3.913017|2.982865|0.077973|2.696752|2.674556|4.657961|3.489398|2.332084|0.061188|2.035691|2.548394|2.911392|3.023352|4.427293|0.101881|2.664255|2.637468|3.453530|4.506793|2.669238|2.436587|2.184718|2.118775|2.271076|2.552053|3.753981|2.153923|3.379529|1.754736|0.208406|0.172956|0.213675|0.500000| |8.871228|17.551445|8.933847|7.191629|4.707314|3.931088|4.151322|5.602007|6.347918|0.133874|3.531238|3.345025|2.660003|0.072308|2.400602|2.446499|4.414649|3.166733|2.178401|0.058346|1.894252|2.404806|2.824883|3.027436|4.749925|0.109963|2.910985|3.014686|3.856628|4.926999|2.374873|2.139241|1.937749|1.913167|2.081537|2.331273|3.516105|2.069128|3.082014|1.592878|0.172856|0.212293|0.213184|0.304749|0.500000| |5.348906|6.980421|8.979255|17.680767|8.871346|5.623251|4.945794|5.700569|5.640859|0.106635|3.428355|3.617290|2.943667|0.084391|2.605663|2.750008|5.245243|3.437382|2.396900|0.066225|2.024061|2.638947|3.287241|3.463721|5.964582|0.149240|3.805992|4.324881|4.455357|4.835653|2.540656|2.206254|1.975231|1.972762|2.209131|2.538062|3.756092|2.281855|3.149313|1.603148|0.124998|0.162659|0.122012|0.145647|0.217942|0.500000| |3.495289|4.071516|5.609452|8.873308|17.704274|8.961852|5.659582|4.995710|5.024914|0.089794|3.419346|4.037550|3.508328|0.108593|3.072053|3.390530|7.030606|4.025664|2.828235|0.081645|2.305630|3.027576|3.948263|3.812135|6.564374|0.172749|4.658358|5.652268|4.085984|3.853060|2.893978|2.424439|2.131680|2.134187|2.445082|2.904467|4.131396|2.560045|3.358082|1.689189|0.091785|0.103882|0.082492|0.097236|0.112288|0.215851|0.500000| |3.089502|3.501815|4.850780|5.598486|8.915267|17.742516|8.839309|5.609348|5.909755|0.099106|4.565447|6.455238|6.012254|0.213005|4.882993|5.486403|12.584328|5.678324|3.689263|0.108516|2.867360|3.631620|4.620461|3.801694|5.567690|0.140634|3.820746|3.901778|3.294101|3.220504|4.322412|3.361143|2.794808|2.744694|3.216653|4.152134|5.158765|3.134666|4.139750|2.048678|0.087268|0.087179|0.073260|0.089437|0.089690|0.123769|0.215010|0.500000| |3.492481|3.682163|4.181630|3.419200|3.391370|4.093257|5.797687|5.891096|12.226862|0.214087|17.796171|8.697305|6.435719|0.134788|5.328894|4.135635|6.402861|5.031016|2.924718|0.075627|2.569512|2.806241|2.939666|2.614681|3.434625|0.078236|2.194957|2.107083|2.343168|2.613964|6.331220|6.049822|4.724362|4.081960|4.170134|4.993111|5.989004|3.099672|5.840867|2.969938|0.113033|0.087028|0.085802|0.108802|0.085384|0.080536|0.079764|0.103194|0.500000| |2.157676|2.326349|2.743619|2.642649|2.986820|3.794335|4.187345|3.363058|4.712085|0.083512|4.452085|5.494776|8.837070|0.211555|17.527100|9.107780|11.975872|8.933048|4.587896|0.126235|3.956012|3.585223|3.479992|2.756766|3.439315|0.076231|2.343386|2.192235|2.178309|2.213218|7.121325|6.689211|4.648837|3.844627|3.924449|4.924938|5.575368|2.917535|5.444454|2.801983|0.063918|0.057853|0.054199|0.065144|0.058921|0.064059|0.075909|0.115892|0.121602|0.500000| |2.432949|2.679360|3.151452|2.898893|3.154372|3.989120|4.840154|4.031917|6.016590|0.104999|6.062816|6.909556|8.767570|0.175165|17.574926|8.878020|10.476864|10.318043|4.801257|0.119960|4.092351|3.972949|3.817799|3.050623|3.729655|0.083081|2.432031|2.238814|2.393788|2.515895|6.566946|6.543227|4.458717|3.599339|3.602272|4.457354|5.148517|2.690247|5.144296|2.689945|0.072615|0.063590|0.061040|0.077143|0.066729|0.069353|0.077541|0.112969|0.169839|0.302834|0.500000| |2.130801|2.409278|2.786914|2.657913|2.896294|3.468094|3.815392|3.311905|4.634724|0.083813|3.990687|4.429001|4.862801|0.120227|7.580403|9.431689|10.899904|26.059717|9.044467|0.184171|7.543792|6.218404|4.966631|3.728131|4.186158|0.089518|2.721357|2.381667|2.622771|2.681530|3.832087|3.780256|2.991479|2.566694|2.581429|3.032480|3.920778|2.112327|3.891599|2.085006|0.061456|0.055960|0.054333|0.069781|0.062087|0.065112|0.073322|0.099563|0.107265|0.181129|0.240904|0.500000| |1.645601|1.849570|2.070620|2.083343|2.266928|2.496784|2.485581|2.250770|2.993976|0.056319|2.354780|2.565791|2.713716|0.074507|3.356267|4.230109|7.014665|7.670957|8.801914|0.212455|17.575444|6.903905|4.575973|3.730793|4.008278|0.079000|2.817086|2.361053|2.508243|2.381441|2.319276|2.266515|1.963625|1.780298|1.805060|2.028176|2.887399|1.596506|2.829823|1.535748|0.046070|0.044099|0.042820|0.052722|0.049815|0.053512|0.060911|0.072988|0.062845|0.091408|0.092689|0.147614|0.500000| |1.676550|1.860940|2.098142|2.082319|2.282054|2.594131|2.641411|2.344612|3.179628|0.059361|2.593774|2.853864|3.172783|0.085790|4.199833|5.181059|7.966059|9.702001|8.810921|0.214071|17.576022|5.491815|4.041379|3.196029|3.591424|0.073388|2.500922|2.173096|2.260310|2.200901|2.723078|2.711076|2.309835|2.050745|2.054712|2.318198|3.231369|1.760562|3.222723|1.753387|0.047618|0.044862|0.043412|0.053047|0.049341|0.052805|0.060592|0.076772|0.070275|0.119720|0.116185|0.199797|0.301681|0.500000| |1.768157|1.994645|2.221900|2.170436|2.319476|2.592960|2.696805|2.470206|3.385068|0.063763|2.702409|2.876236|3.011701|0.079366|3.876270|4.700974|7.097368|9.527103|8.768588|0.173357|17.524662|6.821991|4.480617|3.657385|3.916695|0.078798|2.620102|2.224918|2.504292|2.483287|2.569370|2.567131|2.190733|1.942845|1.942401|2.187085|3.061965|1.669552|3.063280|1.672626|0.049951|0.046741|0.046035|0.057854|0.053013|0.055122|0.060797|0.074143|0.073241|0.103033|0.114057|0.214764|0.301860|0.300699|0.500000| |1.921033|2.234640|2.543041|2.611909|2.849161|3.056441|2.957675|2.699796|3.451588|0.064334|2.609672|2.868504|2.850606|0.079193|3.340656|4.424303|7.834558|7.636601|8.906089|0.212264|7.119688|17.513387|8.858210|7.024554|6.317292|0.117821|4.253310|3.236310|3.684600|3.338096|2.347813|2.213425|1.905410|1.755860|1.821539|2.079720|2.933721|1.651949|2.780045|1.486337|0.052819|0.051423|0.049648|0.063493|0.061042|0.067066|0.076561|0.087459|0.067194|0.085267|0.091083|0.134149|0.215007|0.143970|0.174842|0.500000| |2.158959|2.555088|2.907301|2.859613|3.033230|3.323538|3.416407|3.178225|4.170671|0.077403|3.159190|3.386905|3.246948|0.086406|3.890915|5.053735|8.120122|9.533989|8.858910|0.174442|6.866035|17.511414|8.819901|6.938096|6.208456|0.121787|3.759876|2.981031|3.783768|3.744564|2.632590|2.504049|2.119316|1.921400|1.977982|2.274201|3.141379|1.749133|3.013696|1.613774|0.059813|0.056659|0.055666|0.074501|0.068565|0.071940|0.078210|0.091651|0.081310|0.094937|0.111814|0.177427|0.169331|0.140438|0.203331|0.302924|0.500000| |2.712297|3.324180|4.192550|4.325758|4.982145|5.767668|5.525545|4.686219|5.508686|0.096106|4.099990|4.851175|4.355186|0.121063|4.780122|6.736724|12.581565|9.358487|6.733743|0.170794|4.472603|8.819709|17.595135|8.899264|9.310753|0.218367|5.155734|4.123519|4.798240|4.648857|3.237096|2.862409|2.370041|2.194533|2.354196|2.823650|3.730530|2.128216|3.380583|1.758615|0.074700|0.072051|0.067346|0.092971|0.087978|0.102491|0.123024|0.156120|0.097222|0.109097|0.125251|0.151447|0.111415|0.106860|0.117290|0.173547|0.211659|0.500000| |2.277374|2.689619|3.270573|3.576067|4.268845|4.657572|4.058688|3.462148|4.114461|0.074055|3.086938|3.637144|3.555576|0.104589|3.909110|5.541243|11.905175|7.688535|6.889364|0.211375|4.591596|8.871947|17.584177|8.793443|9.429539|0.193765|6.542784|4.819740|4.519909|3.883400|2.771981|2.470274|2.096587|1.970022|2.116846|2.494351|3.416129|1.970602|3.078181|1.606158|0.062247|0.062028|0.057315|0.073638|0.073256|0.089279|0.116637|0.139037|0.075795|0.096405|0.099061|0.123457|0.122874|0.109706|0.111849|0.211269|0.173668|0.304861|0.500000| |2.154939|2.588242|2.932528|3.136810|3.334594|3.287932|3.056763|2.912004|3.554223|0.066835|2.532703|2.747144|2.568751|0.072338|2.765024|3.435165|6.436391|5.148677|4.549323|0.121203|3.728384|6.930826|8.741762|17.606138|12.428816|0.182894|7.563010|4.733461|6.623033|5.044533|2.132560|1.970424|1.722269|1.623543|1.712514|1.950474|2.807034|1.610886|2.590725|1.373463|0.057516|0.058030|0.055725|0.072540|0.073360|0.083016|0.091377|0.090035|0.063714|0.069363|0.074991|0.093115|0.106722|0.086901|0.099220|0.211456|0.172700|0.173098|0.206004|0.500000| |2.538690|3.175737|3.602840|3.675481|3.721602|3.695469|3.626914|3.597169|4.401203|0.082607|3.049106|3.222912|2.866795|0.078351|3.063964|3.720601|6.643088|5.616148|4.516451|0.112512|3.652795|6.854483|8.868862|17.673936|12.333357|0.208941|5.664878|4.119821|7.570840|7.175981|2.351250|2.173582|1.880361|1.758091|1.849962|2.121157|3.003506|1.711751|2.785714|1.475439|0.067620|0.066722|0.065355|0.091666|0.089090|0.094831|0.096225|0.096150|0.075737|0.074431|0.085460|0.104035|0.098365|0.085454|0.102306|0.170814|0.205483|0.215879|0.173440|0.302817|0.500000| |2.195262|2.583002|3.050193|3.544557|4.131843|3.926360|3.285896|2.979113|3.476212|0.064303|2.496062|2.832359|2.700400|0.080127|2.779915|3.467219|7.191582|4.683016|3.932543|0.117863|3.131814|4.831067|6.908461|7.581658|12.393736|0.214092|17.670350|8.895448|5.635888|4.128351|2.227088|1.995486|1.750298|1.684222|1.820290|2.093940|3.020496|1.774825|2.684146|1.401530|0.058444|0.061043|0.055790|0.069074|0.073382|0.094578|0.123919|0.113050|0.061772|0.070625|0.071806|0.082243|0.088331|0.077681|0.079545|0.136329|0.112505|0.156219|0.243898|0.213150|0.148713|0.500000| |2.131768|2.520307|2.840085|3.258077|3.495329|3.178672|2.783614|2.670050|3.160574|0.059885|2.212270|2.414304|2.256577|0.065416|2.305036|2.743887|5.384422|3.799816|3.136535|0.089545|2.655080|3.914695|5.019662|6.816546|12.435042|0.182126|17.615923|8.785823|7.368903|4.671088|1.915013|1.744845|1.553441|1.499167|1.605735|1.814611|2.688180|1.575407|2.416620|1.271418|0.055803|0.059134|0.055137|0.067833|0.073854|0.091234|0.103574|0.087375|0.055395|0.058826|0.061189|0.069401|0.075844|0.065829|0.069792|0.114009|0.098416|0.118984|0.146814|0.216831|0.147985|0.302498|0.500000| |2.508380|2.953542|3.351383|4.214118|4.448075|3.593999|3.006255|2.945881|3.349633|0.063625|2.278795|2.487434|2.267123|0.066654|2.193587|2.500285|4.961839|3.282502|2.526256|0.072365|2.144433|2.925214|3.742806|4.420346|9.039488|0.177773|8.710672|17.603016|6.466284|4.621816|1.947926|1.742967|1.566820|1.542509|1.683376|1.901691|2.863902|1.715691|2.494522|1.296774|0.063996|0.072000|0.064120|0.075558|0.089538|0.128436|0.144074|0.095572|0.056283|0.055814|0.057717|0.060637|0.059422|0.054892|0.056886|0.079927|0.075744|0.100585|0.109580|0.117246|0.107482|0.172756|0.208905|0.500000| |2.633412|3.087181|3.760723|4.965223|6.149979|4.873736|3.719459|3.421595|3.774226|0.069701|2.619774|2.984816|2.742957|0.083111|2.614391|3.042150|6.331814|3.842759|2.918780|0.085789|2.392047|3.292258|4.429019|4.688034|9.227986|0.213383|8.807148|17.604384|5.279313|4.155295|2.295542|2.006130|1.779621|1.755031|1.945114|2.243953|3.288730|1.989027|2.803964|1.441782|0.068588|0.075999|0.065594|0.078103|0.089553|0.139720|0.225131|0.134260|0.063596|0.066082|0.066990|0.069323|0.065340|0.061648|0.062320|0.087433|0.082602|0.122390|0.138456|0.118098|0.109451|0.212161|0.172523|0.300441|0.500000| |2.153440|2.463468|2.831875|3.452544|3.931373|3.412366|2.806227|2.626932|3.042108|0.057298|2.141086|2.386844|2.260798|0.067756|2.218961|2.577842|5.261947|3.366051|2.655400|0.078754|2.249839|3.003809|3.790829|4.164494|7.517323|0.146463|8.974809|17.583886|4.645241|3.510496|1.939943|1.734015|1.558008|1.534152|1.675523|1.894332|2.851625|1.710884|2.480728|1.289543|0.056340|0.061773|0.055037|0.063855|0.072017|0.099155|0.130185|0.096595|0.053304|0.057353|0.057460|0.061359|0.063160|0.057959|0.058382|0.083894|0.075088|0.098264|0.119511|0.115557|0.096962|0.217588|0.212573|0.303192|0.302587|0.500000| |2.786371|3.479359|3.796788|4.460469|4.213762|3.499092|3.141537|3.257013|3.740964|0.072025|2.468426|2.606241|2.299242|0.065382|2.257560|2.562591|4.876601|3.476409|2.662286|0.073067|2.268872|3.240891|4.145855|5.610983|12.397397|0.216372|7.448155|7.051576|17.670776|8.892060|1.967060|1.784212|1.595115|1.549270|1.667695|1.882036|2.803457|1.649824|2.499504|1.309522|0.070005|0.076978|0.072115|0.091961|0.108939|0.134638|0.119891|0.088822|0.060940|0.056497|0.061012|0.065163|0.062450|0.056999|0.061747|0.087485|0.087808|0.112364|0.109988|0.142736|0.148557|0.147186|0.199644|0.244821|0.164534|0.146316|0.500000| |2.424937|2.989406|3.211121|3.492875|3.390581|3.054852|2.855433|2.927667|3.511816|0.067946|2.366121|2.473391|2.218022|0.062138|2.258140|2.604287|4.841179|3.692372|2.928006|0.078523|2.530207|3.769744|4.630330|7.263531|12.434701|0.181918|6.864702|5.164365|17.612534|8.772934|1.896022|1.749665|1.559069|1.493910|1.584025|1.780507|2.639010|1.529765|2.410722|1.275816|0.062365|0.065442|0.063663|0.083008|0.090102|0.099008|0.093510|0.079352|0.059346|0.056647|0.061952|0.069633|0.070678|0.062147|0.069671|0.105077|0.104535|0.117742|0.116435|0.203080|0.204868|0.146481|0.216388|0.151626|0.121933|0.118672|0.302466|0.500000| |3.200976|4.214060|4.110459|4.193885|3.580982|3.131509|3.088370|3.471397|4.169321|0.083439|2.637675|2.630448|2.249911|0.061714|2.214370|2.427027|4.393456|3.363350|2.492853|0.065771|2.179291|3.017738|3.585104|4.640925|7.535493|0.147048|4.153263|3.814492|8.967607|17.581447|1.954212|1.805872|1.619578|1.559008|1.653779|1.849117|2.762365|1.599457|2.520695|1.331594|0.079056|0.083828|0.085527|0.119923|0.136762|0.123193|0.093520|0.077147|0.065841|0.054900|0.061896|0.065189|0.059032|0.054696|0.061402|0.079544|0.087641|0.102157|0.088966|0.114832|0.147577|0.096879|0.113462|0.117540|0.100506|0.088478|0.219645|0.210004|0.500000| |3.079084|4.089011|4.275399|4.165492|3.741243|3.479413|3.540271|3.909258|4.773643|0.093407|3.063440|3.059915|2.595100|0.070060|2.627605|2.945883|5.216103|4.208931|3.121003|0.079746|2.674620|3.979417|4.760847|6.490473|8.979101|0.173540|4.408907|3.709249|8.717030|17.607016|2.198576|2.038085|1.794300|1.697728|1.789117|2.025389|2.936929|1.680300|2.713782|1.436648|0.079129|0.079003|0.080546|0.122123|0.120462|0.111810|0.094502|0.085828|0.075999|0.063987|0.074448|0.081470|0.071500|0.065648|0.076387|0.101498|0.120780|0.137245|0.109451|0.147777|0.248210|0.107397|0.117366|0.105724|0.099669|0.086251|0.172941|0.210804|0.303281|0.500000| |3.953219|5.750117|6.282729|6.458772|5.170137|4.364568|4.303934|5.001510|5.545990|0.106846|3.383846|3.429591|2.804600|0.076963|2.698968|2.976167|5.434116|4.009889|2.880484|0.076033|2.421006|3.469586|4.410354|5.428551|9.366578|0.216575|4.672396|4.342617|8.799019|17.592602|2.363481|2.134273|1.880564|1.808319|1.945171|2.223391|3.217298|1.872055|2.880980|1.503719|0.097502|0.102612|0.099604|0.157880|0.180063|0.177238|0.126311|0.101900|0.081149|0.065320|0.074702|0.076460|0.064209|0.060858|0.067562|0.087415|0.099384|0.135286|0.107864|0.121848|0.168418|0.110732|0.116239|0.127800|0.122581|0.096850|0.209719|0.172390|0.301914|0.300600|0.500000| |2.257654|2.349800|2.655189|2.429211|2.584301|3.140165|3.741041|3.299576|5.123254|0.094374|5.145988|5.215925|6.789450|0.143103|7.200939|4.606627|6.762035|5.506547|3.105068|0.081985|2.867133|2.692805|2.640584|2.252399|2.872777|0.063512|1.927250|1.835311|1.908374|2.010513|8.910348|17.731279|8.956022|5.661021|4.950322|5.646867|6.529480|3.138507|7.469600|3.927743|0.069143|0.059444|0.057272|0.067087|0.058305|0.059355|0.064669|0.088681|0.167555|0.208900|0.231088|0.122839|0.068625|0.084030|0.080102|0.065559|0.075572|0.082868|0.070771|0.056842|0.063098|0.056101|0.049146|0.048061|0.054895|0.047816|0.049851|0.049671|0.050924|0.058377|0.059820|0.500000| |1.999042|1.994690|2.171811|2.003477|2.091227|2.425370|2.773152|2.569039|3.942366|0.076439|3.583574|3.481348|4.058336|0.097935|3.856318|2.954699|4.714458|3.650183|2.238430|0.060420|2.129887|2.007523|1.989426|1.763744|2.302820|0.050430|1.574638|1.530525|1.565445|1.645141|5.653300|8.919500|17.760794|8.963068|5.636260|4.979229|7.604052|3.331317|12.558427|7.488254|0.061653|0.053250|0.051600|0.056442|0.049949|0.050170|0.053414|0.068146|0.115672|0.114320|0.112427|0.079085|0.052904|0.062402|0.059465|0.050486|0.056208|0.060766|0.054079|0.045292|0.049365|0.045362|0.040620|0.040573|0.045548|0.040336|0.041572|0.041004|0.042550|0.047159|0.048753|0.218744|0.500000| |2.808053|2.790588|3.355171|3.250386|3.681449|4.650474|5.089560|4.092332|5.471226|0.096835|4.879026|6.020295|7.147708|0.219874|4.650116|3.805873|6.905479|4.129079|2.554855|0.072399|2.214683|2.360567|2.572134|2.244590|3.105371|0.071403|2.148667|2.185139|2.045680|2.110704|8.911206|5.687942|4.978244|5.630053|8.983643|17.751549|12.640217|7.543442|7.604312|3.331333|0.086720|0.078720|0.067991|0.073502|0.068800|0.077951|0.092513|0.135659|0.124880|0.123614|0.111982|0.080624|0.055797|0.062636|0.059169|0.058560|0.063233|0.081549|0.072745|0.056128|0.060663|0.061985|0.053302|0.057106|0.068578|0.056960|0.055533|0.051669|0.053572|0.058082|0.065117|0.124259|0.108016|0.500000| |2.240039|2.092275|2.304955|2.270041|2.415715|2.654697|2.732634|2.523418|3.422784|0.065988|2.727362|2.891558|3.059971|0.088959|2.510022|2.225036|4.044073|2.633125|1.730677|0.049119|1.572257|1.636425|1.749026|1.602924|2.248601|0.050163|1.598709|1.663036|1.539042|1.579344|3.610159|3.192867|3.421846|4.413057|5.896366|4.913868|17.026851|17.653383|7.792088|3.351307|0.068265|0.064739|0.056605|0.054918|0.053286|0.058288|0.064310|0.075284|0.074458|0.069913|0.064969|0.052429|0.040745|0.044597|0.042392|0.042055|0.044244|0.052989|0.049585|0.041255|0.043585|0.045398|0.040716|0.044512|0.050964|0.044391|0.042664|0.039546|0.041390|0.043059|0.047821|0.075191|0.082153|0.147018|0.500000| |2.301503|2.218354|2.533902|2.535920|2.810641|3.213269|3.243626|2.837278|3.765811|0.070432|3.087598|3.470044|3.880144|0.118888|3.069375|2.701483|4.999345|3.097059|2.014621|0.057869|1.801831|1.877515|2.020851|1.813741|2.537323|0.057072|1.810557|1.879149|1.701257|1.728643|4.574358|3.758756|3.807341|4.754800|7.055631|6.738059|16.444571|17.555988|7.534774|3.247302|0.069589|0.066266|0.057288|0.058083|0.056380|0.063917|0.074848|0.094522|0.082383|0.086215|0.076625|0.060819|0.046415|0.051329|0.048021|0.047907|0.050146|0.061636|0.057968|0.046436|0.048793|0.052046|0.045615|0.049554|0.058289|0.050131|0.046960|0.043524|0.044731|0.047144|0.052466|0.086913|0.088357|0.225912|0.299932|0.500000| 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