Version2.0 2020-01-20T20:43:42Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE NC(=O)c4cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCCc1ccccc1)cc23)cn4 203168 CHEMBL420174 RHF 6-31G(d) (6D,7F) NC(=O)c4cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCCc1ccccc1)cc23)cn4 C01[X(C28H33N5O3)] 201 C1 606 OC[C@H](n1cnc(c1)C(=O)N)CCn1ccc2c1cc(cc2)NC(=O)CCCCCc1ccccc1 OC[C@H](n1cnc(c1)C(=O)N)CCn1ccc2c1cc(cc2)NC(=O)CCCCCc1ccccc1 NC(=O)c1cn(cn1)[C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCCc4ccccc4)cc23 InChIKey=IVAFIEQIVZYOAV-XMMPIXPASA-N InChI=1S/C28H33N5O3/c29-28(36)25-18-33(20-30-25)24(19-34)14-16-32-15-13-22-11-12-23(17-26(22)32)31-27(35)10-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,11-13,15,17-18,20,24,34H,2,5-6,9-10,14,16,19H2,(H2,29,36)(H,31,35)/t24-/m1/s1 InChI=1/C28H33N5O3/c29-28(36)25-18-33(20-30-25)24(19-34)14-16-32-15-13-22-11-12-23(17-26(22)32)31-27(35)10-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,11-13,15,17-18,20,24,34H,2,5-6,9-10,14,16,19H2,(H2,29,36)(H,31,35)/t24-/m1/s1/f/h31H,29H2 NC(=O)c4cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCCc1ccccc1)cc23)cn4 C01[X(C28H33N5O3)] 201 C01 606 OC[C@H](n1cnc(c1)C(=O)N)CCn1ccc2c1cc(cc2)NC(=O)CCCCCc1ccccc1 OC[C@H](N1CNC(=C1)C(=O)N)CCn1ccc2c1cc(cc2)NC(=O)CCCCCc1ccccc1 NC(=O)C1=CN(CN1)[C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCCc4ccccc4)cc23 InChIKey=TZIIQBRWMQRFGZ-XMMPIXPASA-N InChI=1S/C28H35N5O3/c29-28(36)25-18-33(20-30-25)24(19-34)14-16-32-15-13-22-11-12-23(17-26(22)32)31-27(35)10-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,11-13,15,17-18,24,30,34H,2,5-6,9-10,14,16,19-20H2,(H2,29,36)(H,31,35)/t24-/m1/s1 InChI=1/C28H35N5O3/c29-28(36)25-18-33(20-30-25)24(19-34)14-16-32-15-13-22-11-12-23(17-26(22)32)31-27(35)10-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,11-13,15,17-18,24,30,34H,2,5-6,9-10,14,16,19-20H2,(H2,29,36)(H,31,35)/t24-/m1/s1/f/h31H,29H2 3448.1690782521 -1576.4057433 1-A 36191.9149 130 476 606 |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| -20.59047 -20.52753 -20.51453 -15.64784 -15.60462 -15.59600 -15.57400 -15.56988 -11.35049 -11.34742 -11.31218 -11.30806 -11.30723 -11.28470 -11.28184 -11.28000 -11.26228 -11.26070 -11.25637 -11.24853 -11.23672 -11.23205 -11.22737 -11.22631 -11.22607 -11.22593 -11.22294 -11.22289 -11.22247 -11.22230 -11.21956 -11.21818 -11.21756 -11.21520 -11.21155 -11.20823 -1.40074 -1.39508 -1.38763 -1.37458 -1.31073 -1.25221 -1.22697 -1.20259 -1.15145 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0.99999 1 0.00656 0.00157 0.00135 0.13676 0.03277 0.02807 3.80 7.49 16.13 22.91 28.76 36.20 40.97 50.48 65.20 74.02 77.54 97.73 112.83 125.04 137.76 176.88 197.30 205.06 209.26 226.48 231.95 250.19 264.35 273.70 331.37 344.91 378.99 388.19 390.22 403.45 430.91 455.57 476.28 523.54 532.69 542.29 583.18 588.14 651.69 655.84 667.57 700.04 703.22 755.66 774.92 813.19 822.81 838.67 868.82 901.83 914.63 924.58 932.43 959.30 980.89 1009.15 1021.90 1041.87 1074.92 1104.73 1113.40 1123.08 1127.34 1158.90 1166.48 1177.43 1208.89 1214.67 1229.95 1240.02 1269.29 1279.90 1296.32 1313.41 1354.41 1357.07 1363.64 1376.32 1418.94 1431.39 1435.32 1453.00 1478.93 1493.39 1529.75 1544.68 1563.74 1565.08 1569.27 1578.54 1578.91 1583.56 1610.17 1614.58 1628.27 1632.52 1637.85 1659.95 1669.17 1694.04 1701.39 1704.83 1727.98 1737.31 1744.25 1762.23 1777.61 1784.48 1809.29 1811.52 1834.81 1865.16 1872.60 1901.43 1902.57 1911.39 1927.89 1933.46 1963.24 1967.48 1983.62 1984.30 1986.64 1995.83 2008.66 2046.81 2061.42 2077.82 2081.98 2086.78 2093.03 2102.15 2105.73 2140.85 2154.42 2160.00 2175.30 2177.85 2222.52 2235.60 2242.03 2254.11 2262.66 2266.41 2316.79 2324.39 2329.31 2331.56 2350.50 2351.38 2361.87 2366.38 2380.54 2382.59 2383.35 2404.77 2415.58 2454.71 2466.69 2491.00 2511.13 2567.90 2569.38 2580.73 2607.12 2627.65 2814.37 2836.17 4567.18 4591.17 4593.72 4598.55 4600.84 4607.52 4633.72 4636.27 4645.93 4651.55 4652.23 4661.14 4672.92 4699.08 4709.54 4718.50 4748.95 4812.39 4815.47 4833.72 4835.34 4843.90 4850.26 4870.09 4922.29 4954.33 4967.97 4988.63 5010.78 5529.10 5562.19 5721.13 5924.29 0.621274 0.654095 0.655039 0.545290 -1575.784469 -1575.751648 -1575.750704 -1575.860453 3.680999D-04 MUNgauss RevisionA2.0 retrievium 20-Jan-2020 DUDE NC(=O)c4cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCCc1ccccc1)cc23)cn4 203168 CHEMBL420174 RHF 6-31G(d) (6D,10F) C1 487.258340 |X|Y|Z| 78.130688 35.713594 169.741056 77.949626 30 6 7 26 4 |53.358707| |19.244499|36.858105| |11.521493|15.835580|73.516695| |10.884707|12.864937|14.436644|36.858105| |7.072038|7.538348|11.644881|14.076507|36.858105| |5.738055|5.270410|8.048044|8.773443|13.964956|53.358707| |4.345240|3.817355|6.243058|5.295799|7.545104|17.722931|36.858105| |4.161448|3.738838|6.403613|4.927592|7.391669|12.665298|17.589161|0.500000| |3.876791|3.290275|5.412192|4.312281|5.477096|10.597934|12.469151|0.250144|36.858105| |3.241070|2.712564|4.594966|3.354262|4.144425|7.123375|8.082608|0.208796|13.621353|73.516695| |3.829527|3.219775|5.261402|4.227210|5.268692|10.469017|12.446341|0.246459|7.480196|11.591215|36.858105| |3.843349|3.243389|5.392061|4.102627|5.001173|8.446357|7.455053|0.194510|4.871492|7.990060|12.426107|36.858105| |3.386302|2.744898|4.557598|3.315884|3.736066|6.034544|4.975092|0.128541|3.792575|6.462037|7.691238|13.207277|53.358707| |2.874067|2.305413|3.897759|2.696617|3.016165|4.724538|3.995416|0.107173|3.285192|5.936652|5.696405|7.583924|18.786785|36.858105| |2.667252|2.092864|3.521344|2.403099|2.597146|4.009443|3.244988|0.085820|2.784440|4.981580|4.346600|5.251362|11.567139|14.156986|36.858105| |2.914696|2.255511|3.728492|2.601893|2.736656|4.244712|3.276658|0.084325|2.785622|4.786505|4.345632|5.229766|11.548836|8.523046|13.214042|36.858105| |2.779712|2.101574|3.457792|2.376105|2.424513|3.692687|2.759621|0.070927|2.418702|4.120169|3.446591|3.909253|7.300308|5.266760|7.273111|13.658875|36.858105| |3.026671|2.245266|3.638714|2.527748|2.504269|3.788247|2.721105|0.069167|2.388347|3.966999|3.288459|3.654438|6.300185|4.166472|4.995733|7.921089|13.849318|36.858105| |3.619704|2.681567|4.253704|3.080771|2.997149|4.572721|3.158487|0.078889|2.699688|4.348695|3.795976|4.249446|6.997356|4.177051|4.535953|6.829409|7.898220|13.529667|36.858105| |3.981203|2.839001|4.420185|3.189517|2.957277|4.392898|2.905423|0.072658|2.531993|4.011425|3.282738|3.535356|5.317748|3.243227|3.400789|4.536449|5.120526|7.694585|13.502912|53.358707| |3.573881|2.489334|3.916919|2.706115|2.492617|3.636613|2.431638|0.061538|2.186174|3.505980|2.683305|2.825712|4.204921|2.693231|2.867673|3.660163|4.304234|6.235720|7.578679|19.008016|36.858105| |3.068121|2.159042|3.454069|2.334497|2.193293|3.206282|2.200013|0.056087|2.003946|3.270240|2.449744|2.573703|3.910249|2.591101|2.837970|3.604493|4.487609|6.534708|6.463306|11.433189|15.906685|73.516695| |3.902000|2.612849|4.069670|2.756504|2.457671|3.496847|2.283191|0.058097|2.077350|3.300611|2.424160|2.513264|3.583559|2.300819|2.383867|2.899288|3.226785|4.191965|5.023210|10.756609|12.510249|14.173812|36.858105| |3.300560|2.208142|3.502552|2.289841|2.067707|2.925628|1.946990|0.049995|1.809169|2.914737|2.052900|2.105585|3.005649|1.985332|2.074529|2.460066|2.762638|3.449317|3.776847|6.902562|7.488661|12.120176|12.484053|36.858105| |3.364856|2.197631|3.492297|2.220630|1.978371|2.749616|1.814506|0.046910|1.701710|2.735615|1.870157|1.903860|2.659393|1.761747|1.812739|2.097980|2.288978|2.741867|3.015472|5.242221|4.879993|7.856526|7.507737|12.453796|36.858105| |2.840273|1.878519|3.032729|1.890784|1.710629|2.376737|1.593567|0.041463|1.512371|2.459652|1.641278|1.663587|2.330690|1.570571|1.623999|1.851112|2.023583|2.367429|2.510963|4.135239|3.740853|6.488083|4.876268|7.474398|12.454691|36.858105| |2.771462|1.815600|2.950082|1.796491|1.619165|2.223596|1.487587|0.038937|1.421047|2.312598|1.510878|1.525233|2.109949|1.425460|1.459595|1.639524|1.761559|2.017984|2.148574|3.457532|2.965615|5.071717|3.741980|4.858499|7.460279|12.407577|36.858105| |2.390560|1.587994|2.608695|1.573944|1.436680|1.975984|1.337772|0.035168|1.286844|2.113153|1.360481|1.370738|1.901754|1.299310|1.334714|1.484388|1.595335|1.800902|1.881267|2.947466|2.495009|4.385937|2.971916|3.741429|4.876401|7.491270|12.582500|36.858105| |2.247787|1.501420|2.468078|1.497433|1.373698|1.899656|1.293212|0.033938|1.255925|2.067493|1.313114|1.310865|1.816179|1.245932|1.279246|1.415022|1.516359|1.698236|1.765298|2.732523|2.288548|4.050094|2.662445|3.274054|4.028300|5.645297|7.537930|13.700150|36.858105| |2.008185|1.353878|2.242861|1.350541|1.249485|1.727509|1.185411|0.031232|1.155231|1.914813|1.204604|1.202758|1.669043|1.153852|1.186544|1.302418|1.393828|1.543897|1.587477|2.416636|2.001349|3.582962|2.262511|2.712431|3.163179|4.151531|5.005519|7.884974|13.750935|36.858105| |1.903539|1.288508|2.147579|1.280227|1.188665|1.636986|1.126262|0.029809|1.093169|1.818786|1.146517|1.152477|1.603021|1.112361|1.145865|1.254231|1.343499|1.482134|1.514881|2.291914|1.892784|3.407153|2.118999|2.520573|2.895277|3.740280|4.418409|6.809036|7.932617|13.752322|36.858105| |1.986390|1.340978|2.236704|1.326046|1.227868|1.683833|1.154521|0.030611|1.112623|1.848451|1.176816|1.191692|1.659791|1.149101|1.184459|1.300894|1.396569|1.547803|1.585042|2.412349|2.003006|3.597193|2.263330|2.713900|3.164122|4.153860|5.005696|7.885081|6.897128|7.963045|13.751727|36.858105| |2.217406|1.483917|2.459890|1.464318|1.345185|1.842151|1.253481|0.033147|1.201828|1.984836|1.277425|1.296602|1.804296|1.239965|1.276635|1.413066|1.519874|1.703417|1.761948|2.726324|2.291001|4.070602|2.663750|3.276591|4.030174|5.650992|7.538242|13.699571|7.981642|6.896980|7.932499|13.751497|36.858105| |3.949318|3.035830|4.802954|3.640979|3.665331|5.783951|4.011706|0.098664|3.240854|5.149104|5.104711|6.114480|10.348847|5.299858|5.269017|7.800812|6.797170|7.857873|13.782685|10.919130|5.161445|7.888901|4.024398|3.110648|2.625494|2.209532|1.943632|1.710833|1.614773|1.459348|1.393051|1.452207|1.605128|36.858105| |3.432420|2.697437|4.395478|3.214692|3.415322|5.438333|4.125473|0.103705|3.309687|5.489089|5.753581|7.597201|18.886224|8.555029|8.361071|13.615904|7.934548|6.901349|7.995365|7.100632|3.900863|6.416255|3.146546|2.578466|2.218357|1.921379|1.710286|1.530934|1.455329|1.330157|1.275707|1.324760|1.448278|13.672195|36.858105| |6.388576|5.379873|7.603571|9.012068|8.763679|19.108401|7.531751|0.158296|6.010899|7.562565|6.150630|5.139336|5.604999|3.226743|2.859645|3.156241|2.836530|3.019629|3.771097|5.144397|3.095782|4.738391|3.016425|2.471340|2.314950|1.967337|1.827717|1.605199|1.542655|1.390034|1.307860|1.344287|1.480950|4.659282|4.042775|36.858105| |9.234909|7.571367|9.416105|13.898899|8.533878|11.777986|5.273829|0.125119|4.453233|6.023755|4.467096|4.141779|4.720415|2.786058|2.524988|2.806049|2.595316|2.822978|3.536733|5.111421|3.138725|4.721352|3.205906|2.605207|2.497277|2.093204|1.963759|1.704513|1.626297|1.455412|1.368520|1.413031|1.567915|4.154761|3.501843|14.778375|53.358707| |26.083613|9.428290|13.572986|5.777360|4.221170|4.748512|2.763218|0.074639|2.505165|3.803940|2.465606|2.492429|3.032999|1.922811|1.797142|1.951401|1.875230|2.035325|2.391511|3.580024|2.413088|3.725517|2.660832|2.301042|2.389043|2.039575|2.021602|1.749220|1.639945|1.468159|1.396632|1.461191|1.630265|2.564809|2.258505|3.772538|6.824298|0.500000| |26.095303|9.323572|10.815831|7.542648|4.911655|5.823765|3.221582|0.083419|2.907977|4.281523|2.879712|2.843256|3.452115|2.143012|2.005041|2.218006|2.134263|2.355487|2.850502|4.368991|2.888008|4.348409|3.212798|2.683142|2.742418|2.278375|2.210298|1.885108|1.774806|1.572575|1.479605|1.540477|1.729137|3.073543|2.616720|5.134176|10.700128|0.307549|0.500000| |6.103357|6.453861|11.720715|8.635388|17.836377|12.105668|6.732915|0.216453|5.036948|7.242282|4.777497|4.716559|4.787242|2.921185|2.491456|2.562130|2.258441|2.295023|2.681095|3.557381|2.234408|3.545688|2.196301|1.876174|1.802003|1.575933|1.499707|1.341061|1.282804|1.173658|1.121683|1.159191|1.264019|3.241239|3.130409|5.957529|7.906936|0.106603|0.113809|0.500000| |4.086275|3.513996|5.832695|4.548839|5.782228|9.951608|8.890120|0.215433|17.537500|16.445332|5.487294|4.061512|4.385193|2.818540|2.431432|2.447052|2.164657|2.162131|2.444171|3.191858|2.050963|3.333866|1.985967|1.740394|1.659372|1.477989|1.401682|1.269660|1.240185|1.140991|1.079227|1.097748|1.185328|2.875579|2.874059|5.686000|6.133830|0.073496|0.084248|0.150809|0.500000| |3.831284|3.147726|5.059096|4.109963|4.814131|9.392490|8.825554|0.174923|17.508931|16.443408|6.868343|4.484281|5.030021|3.197812|2.785132|2.844077|2.505988|2.501375|2.835788|3.643442|2.317821|3.774747|2.198550|1.914586|1.793157|1.591107|1.488405|1.345618|1.318485|1.209653|1.139056|1.155623|1.249521|3.356920|3.359935|6.343061|6.218707|0.068602|0.081766|0.117887|0.300799|0.500000| |3.025422|2.493906|4.232276|3.015648|3.591669|5.945750|5.949647|0.154797|9.819614|35.766446|5.044408|3.698533|4.257955|2.931652|2.528355|2.436621|2.136013|2.064674|2.241063|2.843597|1.851834|3.088718|1.754434|1.565357|1.476416|1.336108|1.260816|1.156868|1.137187|1.055808|1.001372|1.014097|1.085660|2.593381|2.735142|3.752042|4.182045|0.055928|0.062672|0.097942|0.226586|0.228315|0.500000| |3.323543|2.758607|4.599203|3.465769|4.224416|7.652357|8.927406|0.209616|7.118836|13.513239|17.596580|8.849248|9.228010|5.889920|4.420407|4.129072|3.268011|3.025189|3.333437|3.913671|2.413390|3.998915|2.177747|1.880370|1.716528|1.525657|1.407990|1.278763|1.240039|1.144187|1.090587|1.115902|1.204338|4.248854|5.012753|4.685125|4.913313|0.060451|0.069145|0.111505|0.143064|0.179748|0.159836|0.500000| |3.867801|3.155622|5.030037|4.149850|4.793471|9.609605|8.838407|0.174009|6.672383|9.888253|17.555035|8.858951|9.849824|5.332566|4.394864|4.680850|3.787572|3.692975|4.357103|5.086876|3.011032|4.856966|2.682831|2.250230|2.026023|1.766795|1.612315|1.445779|1.397966|1.277133|1.209864|1.239569|1.349223|5.900724|6.298787|6.773264|6.444615|0.068836|0.082778|0.115646|0.139376|0.199489|0.127965|0.304215|0.500000| |4.470545|3.839217|6.289582|4.966425|6.009378|9.621521|6.991985|0.183296|4.525067|7.036507|8.784962|17.600961|12.607970|5.746724|4.459387|4.770133|3.765999|3.699735|4.528583|5.289532|3.040846|4.806516|2.739303|2.251944|2.043405|1.763518|1.617948|1.441896|1.370328|1.251054|1.198899|1.245040|1.362448|6.700012|7.097516|5.893044|6.676852|0.079342|0.091282|0.152232|0.109874|0.116627|0.092433|0.173636|0.204246|0.500000| |3.570332|3.045809|5.236321|3.717790|4.635280|7.226218|6.610198|0.201181|4.528550|7.895762|8.824064|17.570374|12.600955|7.149108|4.826689|4.455294|3.407842|3.139016|3.509772|4.073709|2.467177|4.047944|2.226382|1.898118|1.735118|1.531756|1.415609|1.280480|1.225446|1.130108|1.087039|1.124139|1.217859|4.671726|5.730807|4.248895|4.870661|0.065256|0.072060|0.130506|0.107683|0.111123|0.101294|0.217888|0.174114|0.304455|0.500000| |2.733963|2.213589|3.796633|2.571889|2.932179|4.536940|3.974487|0.110859|3.314477|6.238115|5.448467|6.883205|12.195036|17.782409|8.699064|5.790404|4.091431|3.375901|3.402095|3.767520|2.349005|4.023557|2.053308|1.793803|1.613521|1.449220|1.327163|1.215649|1.169039|1.086836|1.049098|1.081708|1.162674|4.181377|5.891980|3.005905|3.542625|0.051069|0.056134|0.080800|0.079135|0.087423|0.085200|0.168505|0.133163|0.143278|0.209716|0.500000| |2.403205|1.874124|3.177411|2.119039|2.276996|3.463405|2.799176|0.074941|2.474686|4.502610|3.588193|4.130670|7.918569|8.823243|17.789466|8.443201|6.193973|4.319870|3.783553|4.022802|2.579974|4.631951|2.166355|1.923648|1.688514|1.531321|1.379802|1.271981|1.222539|1.140418|1.104590|1.139963|1.221975|4.131771|5.741313|2.473361|3.012549|0.045368|0.050075|0.061253|0.060712|0.068789|0.064456|0.103925|0.100269|0.099782|0.110027|0.198801|0.500000| |2.495093|1.879163|3.119459|2.095595|2.139175|3.222127|2.427760|0.063114|2.172685|3.757608|2.967637|3.295883|5.901311|4.562722|6.444452|8.865942|17.707465|8.986589|5.630231|5.647572|3.741482|7.237368|2.883630|2.560189|2.135596|1.924475|1.678499|1.537468|1.466402|1.357863|1.314097|1.363658|1.473685|4.911876|5.631088|2.455301|3.084672|0.047188|0.053018|0.055944|0.054398|0.062417|0.054665|0.080129|0.089125|0.087524|0.082476|0.103075|0.174406|0.500000| |2.836606|2.073372|3.369070|2.291771|2.242569|3.343372|2.386307|0.061056|2.137773|3.562373|2.798252|3.038073|5.003150|3.409599|4.032213|5.643969|8.958709|17.837203|8.880614|9.564853|6.859182|15.100105|4.440063|3.800931|2.928918|2.553863|2.137650|1.913719|1.799892|1.636042|1.573189|1.646356|1.813610|5.630287|4.976191|2.679235|3.476703|0.053510|0.061490|0.057336|0.054398|0.062368|0.052060|0.072360|0.086525|0.085820|0.074183|0.079528|0.102012|0.216710|0.500000| |4.698238|3.313260|5.037538|3.751988|3.367010|4.948997|3.141069|0.078145|2.701423|4.193848|3.451604|3.701710|5.290919|3.146025|3.175868|4.073684|4.284798|5.732300|9.357736|26.058654|9.494477|10.894569|7.791010|4.826381|3.896903|3.011112|2.570904|2.166581|2.004295|1.764030|1.668567|1.757244|1.994366|7.732338|4.946552|4.399686|6.174016|0.084655|0.106969|0.081038|0.070099|0.079076|0.060413|0.082155|0.108620|0.117260|0.086536|0.075627|0.076389|0.098063|0.143698|0.500000| |4.343549|2.863074|4.369265|3.055593|2.670982|3.827384|2.453617|0.061697|2.247252|3.516980|2.567923|2.602360|3.630612|2.303887|2.347907|2.828217|3.057863|3.867707|4.785543|9.923493|8.915902|10.869551|17.508871|8.815589|6.859839|4.530595|3.648187|2.886200|2.638289|2.231221|2.060827|2.170683|2.539977|4.052612|3.142878|3.411976|5.014967|0.081058|0.102417|0.065271|0.059902|0.066759|0.051994|0.063540|0.079830|0.079091|0.063560|0.057374|0.058944|0.075404|0.109488|0.224645|0.500000| |4.190585|2.777503|4.337122|2.863017|2.525487|3.510692|2.268323|0.058372|2.038133|3.237310|2.384758|2.521470|3.559129|2.274581|2.333708|2.813017|3.073903|3.903987|4.724906|9.668760|8.960367|11.120792|17.502143|8.818997|6.862619|4.532001|3.649553|2.886966|2.539633|2.170485|2.061164|2.232257|2.639915|3.937849|3.087783|2.987296|4.424954|0.080006|0.094783|0.062994|0.054471|0.059105|0.047609|0.059233|0.072022|0.077626|0.062534|0.056627|0.058826|0.076236|0.112214|0.211547|0.304046|0.500000| |3.023282|2.047607|3.291360|2.112724|1.932076|2.721976|1.832241|0.047440|1.696273|2.760624|1.945752|2.022157|2.920888|1.952147|2.061981|2.442112|2.786657|3.471740|3.652069|6.402486|6.910771|12.631504|8.894222|17.568458|8.832654|6.848129|4.521237|3.649245|3.142731|2.661788|2.535910|2.778494|3.339471|2.975448|2.510085|2.255971|3.209284|0.058968|0.067090|0.049200|0.045241|0.049495|0.041152|0.049830|0.058717|0.059827|0.051013|0.048982|0.053517|0.072763|0.109323|0.120389|0.173638|0.211382|0.500000| |3.078451|2.080610|3.304653|2.185806|1.994171|2.860469|1.924902|0.049155|1.810308|2.926608|2.040441|2.062322|2.958788|1.969853|2.071003|2.451005|2.773508|3.444372|3.677557|6.469824|6.883551|12.257126|8.887615|17.553943|8.835321|6.851470|4.521944|3.650064|3.337033|2.777242|2.536462|2.664005|3.146073|3.022362|2.538228|2.421572|3.412485|0.059375|0.069617|0.050245|0.048188|0.053704|0.043866|0.052288|0.062685|0.060467|0.051548|0.049447|0.053588|0.072013|0.106748|0.122572|0.211197|0.173580|0.305138|0.500000| |3.633840|2.338514|3.673468|2.365885|2.082382|2.898373|1.894334|0.048690|1.789489|2.852111|1.931301|1.939078|2.674651|1.760789|1.794385|2.067561|2.223021|2.640639|2.956440|5.127038|4.548582|7.117981|6.897286|8.841493|17.489658|8.858389|6.870096|4.552301|3.967372|3.091057|2.760835|2.934633|3.652394|2.628829|2.213657|2.476832|3.676986|0.071367|0.083845|0.052277|0.048703|0.052698|0.042857|0.049070|0.058381|0.057893|0.048935|0.044928|0.046255|0.057260|0.076866|0.109031|0.207045|0.171170|0.173370|0.210930|0.500000| |3.543006|2.291361|3.654598|2.273243|2.011390|2.753616|1.805246|0.047010|1.678492|2.696958|1.849892|1.905216|2.646157|1.747900|1.788345|2.062020|2.229652|2.652766|2.942750|5.092441|4.555987|7.189289|6.899262|8.845319|17.491177|8.858386|6.871423|4.552401|3.651759|2.934203|2.760740|3.091382|3.968165|2.597314|2.194599|2.299414|3.424735|0.070648|0.079502|0.051090|0.045650|0.048684|0.040302|0.047009|0.055117|0.057321|0.048469|0.044573|0.046205|0.057634|0.077812|0.107459|0.171153|0.207225|0.210959|0.173417|0.303784|0.500000| |2.655618|1.775140|2.890221|1.785565|1.629798|2.261201|1.527194|0.039931|1.443144|2.362706|1.583162|1.619614|2.287664|1.552170|1.616008|1.840965|2.030089|2.370869|2.469176|4.012479|3.654595|6.550026|4.541911|6.866431|8.846870|17.521055|8.847591|6.888827|5.070617|3.994079|3.808220|4.422562|6.045202|2.156264|1.890001|1.851274|2.662536|0.053086|0.058489|0.041965|0.039068|0.041970|0.035602|0.041021|0.047122|0.047586|0.041588|0.039763|0.042530|0.054074|0.071925|0.079850|0.111868|0.120331|0.206260|0.170890|0.173611|0.211474|0.500000| |2.693202|1.796765|2.899519|1.829335|1.666800|2.339142|1.579874|0.040942|1.511731|2.464708|1.633145|1.640155|2.305836|1.561067|1.620340|1.844751|2.024891|2.361949|2.476988|4.028874|3.650214|6.494825|4.540695|6.862729|8.845753|17.519823|8.847788|6.890272|6.036694|4.419473|3.808873|3.997619|5.077256|2.174002|1.901979|1.939975|2.775789|0.053390|0.060153|0.042614|0.040927|0.044456|0.037322|0.042366|0.049108|0.047910|0.041878|0.040011|0.042565|0.053760|0.071168|0.080481|0.120275|0.111869|0.170723|0.206282|0.211493|0.173600|0.304205|0.500000| 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