Version2.0 2020-04-13T09:27:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc2ccc(o2)C)C(=O)c3ccc(cc3)O C36597400 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc2ccc(o2)C)C(=O)c3ccc(cc3)O C01[X(C30H38N2O4)] 216 C1 616 Cc1ccc(cc1)[C@@H](N(C(=O)c1ccc(cc1)O)Cc1ccc(o1)C)C(=O)NC(CC(C)(C)C)(C)C Cc1ccc(cc1)[C@@H](N(C(=O)c1ccc(cc1)O)Cc1ccc(o1)C)C(=O)NC(CC(C)(C)C)(C)C Cc1oc(CN([C@@H](C(=O)NC(C)(C)CC(C)(C)C)c2ccc(C)cc2)C(=O)c3ccc(O)cc3)cc1 InChIKey=AVAVTKLAZWBMNL-AREMUKBSSA-N InChI=1S/C30H38N2O4/c1-20-8-11-22(12-9-20)26(27(34)31-30(6,7)19-29(3,4)5)32(18-25-17-10-21(2)36-25)28(35)23-13-15-24(33)16-14-23/h8-17,26,33H,18-19H2,1-7H3,(H,31,34)/t26-/m1/s1 InChI=1/C30H38N2O4/c1-20-8-11-22(12-9-20)26(27(34)31-30(6,7)19-29(3,4)5)32(18-25-17-10-21(2)36-25)28(35)23-13-15-24(33)16-14-23/h8-17,26,33H,18-19H2,1-7H3,(H,31,34)/t26-/m1/s1/f/h31H Cc1ccc(cc1)[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc2ccc(o2)C)C(=O)c3ccc(cc3)O C01[X(C30H38N2O4)] 216 C01 616 Cc1ccc(cc1)[C@@H](N(C(=O)c1ccc(cc1)O)Cc1ccc(o1)C)C(=O)NC(CC(C)(C)C)(C)C Cc1ccc(cc1)[C@@H](N(C(=O)c1ccc(cc1)O)Cc1ccc(o1)C)C(=O)NC(CC(C)(C)C)(C)C Cc1oc(CN([C@@H](C(=O)NC(C)(C)CC(C)(C)C)c2ccc(C)cc2)C(=O)c3ccc(O)cc3)cc1 InChIKey=AVAVTKLAZWBMNL-AREMUKBSSA-N InChI=1S/C30H38N2O4/c1-20-8-11-22(12-9-20)26(27(34)31-30(6,7)19-29(3,4)5)32(18-25-17-10-21(2)36-25)28(35)23-13-15-24(33)16-14-23/h8-17,26,33H,18-19H2,1-7H3,(H,31,34)/t26-/m1/s1 InChI=1/C30H38N2O4/c1-20-8-11-22(12-9-20)26(27(34)31-30(6,7)19-29(3,4)5)32(18-25-17-10-21(2)36-25)28(35)23-13-15-24(33)16-14-23/h8-17,26,33H,18-19H2,1-7H3,(H,31,34)/t26-/m1/s1/f/h31H 4057.6967416838 -1566.5278024 1-A 18214.7216 132 484 616 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2237.95 2241.90 2244.60 2254.55 2259.23 2269.91 2271.42 2286.78 2295.63 2306.76 2328.92 2334.51 2338.54 2345.01 2347.68 2351.56 2355.46 2356.66 2357.49 2360.59 2367.76 2375.47 2386.05 2389.28 2402.60 2409.16 2435.32 2439.20 2471.72 2543.30 2547.98 2568.19 2611.52 2624.49 2637.30 2785.16 2790.71 4574.02 4590.87 4600.32 4609.64 4613.44 4615.10 4617.56 4642.70 4653.65 4672.14 4682.00 4684.70 4688.07 4690.06 4697.24 4699.28 4717.07 4722.84 4729.59 4737.95 4738.88 4768.86 4779.58 4783.32 4793.91 4812.77 4815.50 4833.88 4836.87 4841.95 4876.67 4879.42 4899.92 4905.36 4935.76 4964.24 5638.63 5919.65 0.675724 0.710605 0.711549 0.603111 -1565.852079 -1565.817198 -1565.816254 -1565.924692 3.637028D-04 MUNgauss RevisionA2.0 retrievium 13-Apr-2020 DUDE Cc1ccc(cc1)[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc2ccc(o2)C)C(=O)c3ccc(cc3)O C36597400 RHF 6-31G(d) (6D,10F) C1 490.283158 |X|Y|Z| 67.239627 75.373597 89.511900 76.837832 21 6 7 8 19 1 1 |36.858105| |12.610840|36.858105| |7.535024|13.761145|36.858105| |4.997824|7.872949|13.708004|36.858105| |4.401318|6.760890|7.900631|13.744657|36.858105| |5.018763|7.896950|6.930719|7.992661|13.660038|36.858105| |7.551229|13.669294|8.007898|6.902055|7.883488|13.813822|36.858105| |3.252392|4.382294|4.955504|7.394159|12.443890|7.594060|5.019639|36.858105| |3.069513|4.028250|4.269140|5.720919|9.079549|7.379174|4.844158|17.696936|0.500000| |2.867874|3.686186|4.401386|6.433955|7.485221|5.036942|3.870841|12.413434|0.248823|36.858105| |2.750463|3.456123|4.278367|6.115734|6.066237|4.228498|3.457689|7.942458|0.164137|15.830736|73.516695| |2.612553|3.251627|3.723702|4.934670|5.632461|4.321822|3.440947|7.869693|0.217361|14.134432|15.025662|53.358707| |2.283228|2.727888|3.118074|3.869454|4.041955|3.290911|2.792618|4.948184|0.135683|7.554551|11.656167|17.579866|36.858105| |2.005589|2.355724|2.667698|3.255652|3.398545|2.817946|2.412459|4.252223|0.114480|6.144009|10.786818|10.573299|12.380128|36.858105| |2.382187|2.814516|3.327567|4.044041|3.859515|3.120510|2.755418|4.265100|0.111187|6.210658|11.157482|10.484850|12.419451|7.618637|36.858105| |2.099424|2.452257|2.692653|3.178482|3.386007|2.947316|2.548993|3.972229|0.117229|5.071739|7.734307|10.613748|12.274314|7.675441|7.366030|36.858105| |2.181412|2.515588|2.705683|3.079157|3.248694|2.940828|2.610885|3.550879|0.106728|4.164368|6.367711|7.875962|6.913885|4.783872|5.822505|12.231770|36.858105| |2.562666|3.015271|3.184579|3.615657|3.923778|3.633741|3.196568|4.116969|0.128177|4.511953|6.586590|8.259584|5.813696|4.049804|5.099597|7.345383|12.396731|36.858105| |1.919784|2.168762|2.271330|2.526577|2.701980|2.538886|2.280609|2.955880|0.090434|3.287122|5.113844|5.805849|4.803214|3.889988|4.053588|7.709620|12.360396|7.651088|36.858105| |2.114888|2.383963|2.590885|2.862476|2.871715|2.601831|2.393100|3.000771|0.086495|3.525024|5.721884|6.091122|5.540965|4.105591|5.818371|7.402386|12.377982|7.601909|7.679309|36.858105| |2.900697|3.733814|4.086346|5.494684|7.595549|5.898095|4.249712|12.979514|0.258885|7.695273|11.601431|7.394974|3.940834|3.763092|3.439133|3.255016|2.877043|3.179026|2.505488|2.484908|53.358707| |2.926106|3.699548|4.181889|5.461910|6.320013|4.965534|3.951122|7.569671|0.156802|5.986752|11.012101|5.825644|3.387219|3.329935|3.152876|2.778461|2.480790|2.686228|2.166764|2.226818|17.660695|36.858105| |2.398829|2.879754|3.195822|3.906707|4.268189|3.597361|3.023273|5.139747|0.118578|4.713898|9.124338|4.959068|3.068178|3.213041|2.840613|2.546662|2.237148|2.343031|1.992459|2.023722|10.527333|12.756038|36.858105| |2.174644|2.531218|2.729362|3.165609|3.405709|3.045841|2.654230|3.871131|0.094571|3.548981|6.721304|3.971312|2.538858|2.673290|2.373620|2.178380|1.943198|2.025497|1.764488|1.774376|7.278645|7.340097|14.229551|36.858105| |1.897607|2.171595|2.351090|2.701576|2.850333|2.547919|2.249932|3.269633|0.081684|3.190024|6.151351|3.689465|2.446025|2.671011|2.285868|2.107538|1.857899|1.894095|1.700794|1.706977|5.719094|5.141419|8.571182|13.221967|36.858105| |1.909939|2.206746|2.435458|2.864482|3.005818|2.605919|2.272879|3.571840|0.088171|3.688529|7.353513|4.232253|2.836823|3.209369|2.627474|2.384865|2.052901|2.062962|1.860915|1.880717|6.119035|5.321571|8.728534|8.571006|14.204944|36.858105| |2.174388|2.580195|2.905170|3.565185|3.792611|3.146493|2.667936|4.727665|0.111074|4.926983|10.134303|5.277943|3.387993|3.764478|3.105286|2.746625|2.340515|2.381521|2.077768|2.120632|8.532271|7.833222|14.088093|8.648164|8.651959|14.149262|73.516695| |1.716006|1.957011|2.161193|2.511965|2.595498|2.262648|1.998153|3.059967|0.077339|3.321992|6.659602|3.993856|2.813025|3.335352|2.612432|2.381113|2.022898|1.981947|1.846943|1.869584|4.869742|3.935592|5.332455|5.143783|7.326034|12.787084|14.027585|36.858105| |2.668773|3.320018|3.408232|4.191337|5.644697|5.304443|3.935365|7.740407|0.213703|5.229957|7.988614|5.876438|3.299865|3.199227|2.854842|2.903263|2.619090|2.898875|2.367447|2.247616|18.763888|7.917011|6.263612|5.083418|4.001214|4.035508|8.974187|3.245989|36.858105| |2.585194|3.131499|3.144761|3.681769|4.646775|4.627728|3.678403|5.474390|0.147467|4.052375|6.577944|4.652673|2.749772|2.701917|2.454238|2.455848|2.252416|2.472909|2.064975|1.975362|11.483203|7.141945|6.196519|5.660177|4.213743|3.952357|8.288625|3.112570|15.892292|73.516695| |2.411960|2.933392|2.958139|3.544264|4.681044|4.610914|3.501258|6.390152|0.217245|4.766384|6.979004|6.005279|3.393833|3.276025|2.817401|3.139595|2.833763|3.137943|2.631228|2.356976|10.478280|5.037672|4.427016|3.811008|3.285441|3.391586|7.143967|2.911519|12.696252|14.476116|36.858105| 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|2.074288|2.402156|2.330802|2.615197|3.225737|3.436807|2.857885|3.769481|0.126361|3.158220|4.809327|4.350061|2.675633|2.568114|2.265097|2.688873|2.556177|2.823676|2.535572|2.130496|5.353995|3.099965|2.867030|2.658131|2.409589|2.439903|4.792398|2.207808|5.053299|8.064464|7.894961|6.876277|7.918180|13.703032|36.858105| |2.323480|2.754481|2.674300|3.054452|3.914597|4.202601|3.348729|4.679665|0.156907|3.643488|5.503469|4.765376|2.824621|2.700866|2.408444|2.722433|2.556504|2.860727|2.445586|2.149072|7.072056|3.901480|3.497884|3.195268|2.787716|2.793559|5.622011|2.444625|7.648177|11.848219|13.671356|7.965769|6.887529|7.962590|13.824051|36.858105| |1.742475|1.974257|1.949741|2.168509|2.549144|2.610866|2.253235|2.958495|0.096474|2.724012|4.216286|3.986857|2.613154|2.554665|2.180065|2.790887|2.656903|2.794783|2.811313|2.188228|4.016419|2.428202|2.320666|2.161174|2.050728|2.125697|4.079779|2.014253|3.385068|5.413106|4.611997|5.223622|7.947002|14.136520|8.142230|5.288337|73.516695| |17.542824|8.844886|5.901680|4.300250|3.950702|4.586468|6.674941|3.015689|0.079252|2.628200|4.509413|3.241549|2.085514|1.865284|2.148983|1.922799|1.977070|2.290469|1.764442|1.906228|3.801581|2.862677|2.371117|2.187305|1.896338|1.881446|3.771305|1.679763|2.623598|4.629545|2.350273|2.108488|1.901127|1.874945|2.036729|2.291791|3.010648|0.500000| |17.545043|8.839675|5.845559|4.275647|3.946886|4.609321|6.750405|3.012752|0.081250|2.678570|4.501410|3.415130|2.211343|1.929651|2.295602|2.076149|2.200043|2.614960|1.952819|2.138545|3.623389|2.616992|2.178347|1.983791|1.749967|1.766531|3.551069|1.602502|2.491729|4.267198|2.313513|2.117158|1.937689|1.913300|2.052206|2.262653|3.098296|0.302268|0.500000| 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|7.005522|8.894611|5.671288|4.965454|5.628146|8.962255|17.695341|4.110822|0.114950|3.253204|5.196744|4.058794|2.475011|2.166640|2.422372|2.316768|2.398677|2.919916|2.146386|2.202030|4.965095|3.387314|2.695334|2.428965|2.075265|2.073593|4.241464|1.833978|3.567486|6.097974|3.274677|2.815557|2.516616|2.527476|2.840645|3.278798|3.960985|0.188394|0.192707|0.140424|0.124296|0.107790|0.217691|0.500000| |2.617829|3.253203|3.574000|4.579591|5.566759|4.565912|3.569732|7.684388|0.257203|9.512685|10.907739|26.143789|9.017233|6.103902|5.896606|7.746961|6.275656|7.224697|4.750967|4.481513|7.170741|3.978130|3.374731|2.762871|2.547542|2.855746|6.193347|2.677945|4.474193|6.219791|4.902130|5.798504|4.969911|3.980098|3.643908|3.931266|5.939845|0.066416|0.070857|0.068628|0.087351|0.127424|0.127135|0.087182|0.500000| |2.055687|2.426889|2.793182|3.462422|3.556324|2.882021|2.462919|4.493813|0.114802|6.732119|13.508732|9.660619|8.784220|17.623755|6.898123|5.539718|3.916930|3.532161|3.232976|3.493083|5.612133|3.779898|3.722472|3.025695|3.050006|3.795114|8.133629|3.972579|3.385684|5.103616|3.318660|3.888725|3.377222|2.728988|2.504514|2.695125|4.282561|0.053335|0.054265|0.056297|0.073743|0.110163|0.077243|0.060959|0.150546|0.500000| |1.848525|2.131180|2.400013|2.842859|2.897890|2.459267|2.157125|3.447682|0.093312|4.648853|8.451156|7.627676|8.777403|17.548415|7.017354|6.898120|4.532196|3.666930|3.794505|4.148883|4.231116|2.837605|2.780113|2.375480|2.408564|2.864062|5.753462|3.059608|2.708053|4.170287|2.771770|3.267453|3.059878|2.525333|2.271427|2.354251|4.110511|0.047818|0.049641|0.050833|0.064162|0.087756|0.066569|0.054327|0.130968|0.300976|0.500000| |1.911917|2.238919|2.480363|2.999641|3.240959|2.754540|2.338257|4.161209|0.116586|5.547950|9.176677|9.507736|8.758802|17.541945|5.513015|7.164925|4.536788|3.886531|3.940631|3.721394|5.182781|3.270728|3.211130|2.701762|2.716254|3.251066|6.672296|3.386070|3.357908|5.003125|3.579605|4.563272|4.214547|3.247157|2.826135|2.927910|5.133606|0.049798|0.051324|0.051671|0.064542|0.090002|0.076537|0.058984|0.169386|0.300876|0.301032|0.500000| |2.650740|3.151870|3.764516|4.515020|4.186445|3.395316|3.040422|4.336222|0.113750|5.910950|10.097251|9.690688|8.746945|5.515622|17.601982|6.487295|6.119795|5.893559|4.103003|6.422892|4.597203|3.090701|2.708268|2.275975|2.155090|2.425715|5.092602|2.364949|2.816196|4.321441|2.769995|2.980912|2.708173|2.369061|2.255180|2.403583|3.808537|0.065242|0.071384|0.073842|0.101326|0.143287|0.085829|0.073590|0.162330|0.142649|0.141015|0.122809|0.500000| |2.138903|2.461133|2.848427|3.316877|3.169403|2.662641|2.402616|3.445579|0.091747|4.634082|8.430724|7.611910|8.812790|6.785099|17.560832|6.900613|5.639026|4.547500|4.078153|6.314429|3.945162|2.696532|2.494081|2.131505|2.084959|2.385811|4.868682|2.424585|2.479781|3.855446|2.475790|2.743150|2.553455|2.211683|2.061150|2.156734|3.617346|0.053935|0.057738|0.059829|0.077937|0.104615|0.069478|0.059697|0.129668|0.164346|0.204671|0.140200|0.300786|0.500000| |2.417451|2.865429|3.480038|4.303555|3.955008|3.118300|2.760372|4.357530|0.108205|6.536641|13.732012|9.277878|8.821824|7.168959|17.638385|5.432242|4.409657|4.095897|3.318299|4.396649|4.919737|3.448139|3.126863|2.579151|2.491587|2.905230|6.186121|2.889223|2.923712|4.501420|2.792010|3.034037|2.687615|2.304598|2.189457|2.364287|3.673689|0.060888|0.063644|0.067779|0.095029|0.147413|0.079335|0.066862|0.142473|0.213617|0.181202|0.143485|0.302688|0.301231|0.500000| |2.030073|2.374281|2.560432|3.025125|3.342505|2.963454|2.524071|4.066963|0.125147|4.942112|7.321110|10.137656|8.970935|7.110228|5.479408|17.491320|8.865737|6.545006|7.532289|5.497155|4.634580|2.827198|2.613052|2.243489|2.171692|2.450863|4.998196|2.438327|3.121437|4.642174|3.521123|4.395282|4.460466|3.587866|3.058722|3.038224|5.835111|0.052152|0.055815|0.054264|0.065753|0.086665|0.083566|0.064329|0.230886|0.145647|0.169052|0.220177|0.137440|0.140673|0.123965|0.500000| |1.898865|2.178416|2.388388|2.764429|2.880480|2.535821|2.237398|3.315738|0.095766|4.161907|6.754716|7.757771|8.956655|7.498856|6.600494|17.542044|8.921829|5.463799|7.060571|7.095098|3.860387|2.491932|2.341388|2.030987|1.998364|2.268638|4.549038|2.317324|2.557317|3.921202|2.740413|3.233678|3.212815|2.713644|2.398760|2.407976|4.528509|0.048606|0.052157|0.051724|0.063107|0.081559|0.069531|0.056989|0.151630|0.147708|0.222762|0.192504|0.154250|0.199063|0.140149|0.306348|0.500000| |2.550462|3.033855|3.135195|3.603620|4.143404|3.936493|3.346857|4.519689|0.150782|4.676531|6.581389|8.548721|5.429855|3.978698|4.424625|6.686011|8.717366|17.510604|6.967942|5.492342|4.731566|2.836393|2.462670|2.127596|1.976310|2.142330|4.408926|2.038878|3.247911|4.846835|3.661015|4.044707|4.027400|3.639370|3.346762|3.350723|5.869983|0.064078|0.072173|0.066431|0.077832|0.095814|0.112059|0.085690|0.235805|0.097040|0.097526|0.110937|0.134348|0.108475|0.103165|0.192045|0.137917|0.500000| |2.530019|2.896462|2.981780|3.240782|3.451115|3.332815|3.051790|3.466793|0.106720|3.652336|5.529194|6.171956|4.418816|3.315600|4.141590|5.407483|8.807505|17.544955|7.034413|7.021658|3.766012|2.387499|2.095770|1.839785|1.721642|1.853769|3.752935|1.782758|2.573373|3.986835|2.773412|2.957533|2.948358|2.760304|2.605122|2.607185|4.626229|0.062676|0.073202|0.067027|0.076345|0.086901|0.091268|0.079131|0.144068|0.082027|0.085845|0.088959|0.133535|0.106979|0.095639|0.137700|0.123489|0.303222|0.500000| |2.911376|3.516750|3.827864|4.433472|4.689274|4.169571|3.653439|4.714172|0.141094|5.275337|7.622314|9.407567|6.226836|4.159116|5.926426|6.557362|8.687410|17.585249|5.505048|6.817096|4.732777|2.961091|2.523556|2.153568|1.993945|2.175681|4.531773|2.069696|3.063547|4.628885|3.194173|3.398681|3.188058|2.867605|2.736708|2.861591|4.606210|0.070995|0.081723|0.077367|0.096110|0.120501|0.109125|0.089901|0.213356|0.103977|0.102978|0.106822|0.210423|0.137830|0.132206|0.156139|0.137965|0.300869|0.302377|0.500000| |1.754495|1.964678|2.069619|2.295351|2.422953|2.262389|2.045839|2.663344|0.079914|3.002953|4.800284|5.188193|4.508541|3.892142|3.867548|7.084269|8.721034|5.515678|17.535526|6.946745|3.146787|2.029735|1.898632|1.691989|1.651108|1.814685|3.561911|1.827947|2.185320|3.418575|2.409588|2.770871|2.937380|2.640182|2.319805|2.235024|4.646980|0.045060|0.049320|0.047411|0.054567|0.064979|0.063367|0.053564|0.113079|0.088933|0.110257|0.109945|0.104852|0.112950|0.088864|0.189959|0.214624|0.141332|0.142502|0.122277|0.500000| |1.904760|2.121748|2.192645|2.386080|2.529768|2.427292|2.224471|2.683095|0.081778|2.903651|4.566019|4.916950|3.918512|3.223844|3.516757|5.536420|8.747432|6.983014|17.546723|7.061094|3.112455|1.999487|1.832824|1.636982|1.572114|1.702440|3.359956|1.682105|2.178510|3.420475|2.403164|2.673654|2.823072|2.634212|2.371971|2.279775|4.646408|0.048547|0.054443|0.051101|0.057433|0.065970|0.068123|0.058778|0.111096|0.076937|0.087885|0.089728|0.102080|0.098631|0.081654|0.148231|0.143887|0.172547|0.212190|0.141765|0.301746|0.500000| |1.907312|2.166660|2.244471|2.512715|2.758815|2.623657|2.322923|3.083376|0.096991|3.339689|5.100901|5.887742|4.579548|3.833855|3.685575|6.986783|8.714397|6.954829|17.536621|5.524768|3.588170|2.237950|2.061126|1.828178|1.758040|1.917354|3.804390|1.892756|2.539735|3.911942|2.910038|3.395648|3.728438|3.364883|2.887715|2.723752|5.918472|0.049042|0.053834|0.050682|0.057892|0.069449|0.075311|0.061102|0.140063|0.089038|0.100924|0.112899|0.102317|0.099923|0.086167|0.227026|0.169963|0.208905|0.173066|0.141024|0.301468|0.301773|0.500000| |2.289262|2.592750|2.882431|3.185475|3.093638|2.748286|2.546718|3.159080|0.088706|3.784299|6.260602|6.367872|5.766216|4.149584|7.053789|6.481695|8.669507|6.924776|5.519939|17.622442|3.515447|2.346538|2.111616|1.839084|1.761019|1.943714|3.927738|1.922813|2.291606|3.584952|2.348879|2.545898|2.450515|2.204061|2.069481|2.124340|3.671813|0.056724|0.063889|0.063530|0.078079|0.093381|0.072033|0.064221|0.124683|0.101093|0.115426|0.100723|0.243119|0.211072|0.144077|0.134194|0.167756|0.139897|0.174891|0.203329|0.140293|0.143778|0.122370|0.500000| |2.078293|2.303193|2.453650|2.640383|2.649754|2.467389|2.312818|2.704143|0.078561|3.048257|4.956267|5.065786|4.276136|3.342954|4.452598|5.438048|8.799322|6.896313|7.185328|17.540561|3.081277|2.038682|1.851964|1.641092|1.574256|1.714683|3.409085|1.697288|2.079850|3.283920|2.187468|2.372566|2.368921|2.181969|2.032851|2.033533|3.730453|0.052007|0.059186|0.057025|0.065881|0.074725|0.066391|0.059901|0.106238|0.081202|0.093431|0.086447|0.138755|0.130986|0.099538|0.124217|0.145258|0.141457|0.209803|0.166848|0.176460|0.219654|0.144563|0.303223|0.500000| |1.908762|2.131487|2.319654|2.558695|2.557156|2.314302|2.133365|2.709097|0.077355|3.207443|5.347239|5.433805|5.180688|4.153638|5.454412|6.899195|8.736073|5.499006|6.887063|17.536002|3.136702|2.089206|1.934524|1.707223|1.663169|1.841472|3.649353|1.858835|2.093785|3.294277|2.193432|2.436333|2.421559|2.171438|1.991662|1.999207|3.697517|0.048261|0.053316|0.052698|0.062697|0.074653|0.062308|0.054803|0.108676|0.096990|0.123346|0.104325|0.152646|0.181243|0.117234|0.144426|0.218334|0.122357|0.141915|0.139783|0.204899|0.170894|0.140187|0.301889|0.302060|0.500000| |3.148912|3.964899|4.307504|5.257746|6.018601|5.203227|4.281999|6.166124|0.137176|4.722887|8.460508|4.905349|2.913993|2.823019|2.761156|2.468103|2.263869|2.482425|2.000646|2.051253|12.313514|17.622676|9.041449|6.916055|4.652752|4.448535|10.225041|3.368452|7.245912|13.625188|4.633521|3.844465|3.018894|2.763782|3.013647|3.827524|4.110739|0.087707|0.077131|0.081522|0.103750|0.137895|0.135668|0.102854|0.095808|0.086810|0.068283|0.077281|0.076685|0.066586|0.082706|0.069685|0.061801|0.072833|0.062394|0.075782|0.051946|0.051935|0.057395|0.059973|0.052869|0.053322|0.500000| |3.102548|3.973093|4.816880|6.679819|6.835550|4.919658|4.020880|7.547761|0.148756|6.781976|14.025260|6.241309|3.663554|3.543043|3.548246|2.909305|2.594428|2.800023|2.219835|2.365500|12.567897|17.699211|9.066978|5.809695|4.522400|4.918503|12.828071|3.837019|5.797989|9.163549|4.201300|3.857169|3.023436|2.660075|2.761067|3.348995|3.994365|0.082715|0.076163|0.082969|0.118622|0.203717|0.121434|0.093378|0.113547|0.114029|0.083955|0.093193|0.096951|0.082933|0.111396|0.080173|0.072502|0.080291|0.068853|0.087636|0.057820|0.056889|0.062739|0.070453|0.059734|0.061521|0.301286|0.500000| |2.208239|2.543406|2.680588|3.026364|3.266079|3.030695|2.686106|3.561542|0.088585|3.160129|5.843684|3.594788|2.296224|2.370693|2.161464|2.005468|1.820420|1.917024|1.664357|1.667216|6.542382|6.366231|8.857651|17.804167|8.428700|5.840915|10.469896|4.033665|4.864185|10.500353|3.644455|3.195877|2.637926|2.445477|2.628451|3.180165|3.730190|0.062649|0.055831|0.058571|0.069003|0.083965|0.084205|0.069185|0.070618|0.073049|0.059016|0.066604|0.058371|0.054172|0.064529|0.057387|0.051884|0.056067|0.048838|0.056519|0.044188|0.043239|0.047963|0.047935|0.043201|0.044405|0.192498|0.140385|0.500000| |1.737415|1.956365|2.093962|2.356094|2.468156|2.251809|2.021559|2.771908|0.070640|2.708776|5.164939|3.215693|2.167745|2.365879|2.038420|1.901702|1.691200|1.716879|1.564930|1.563842|4.674564|4.034057|5.841578|8.434742|17.790196|8.831153|10.467495|6.330863|3.373860|6.415937|2.873879|2.774164|2.387374|2.168581|2.214339|2.515824|3.401568|0.048492|0.044732|0.047009|0.055456|0.067991|0.062547|0.052412|0.062255|0.073852|0.060246|0.067071|0.053554|0.052306|0.061224|0.054451|0.050524|0.049659|0.043707|0.049865|0.042400|0.040377|0.044914|0.044643|0.040295|0.042519|0.105718|0.100856|0.192582|0.500000| |1.732684|1.971383|2.207490|2.563900|2.583371|2.225779|1.982401|2.995040|0.074851|3.357614|6.989084|4.030052|2.903945|3.466406|2.772354|2.419353|2.052008|1.996163|1.854239|1.923243|4.598547|3.765338|4.827876|4.479761|5.793185|8.928522|12.461489|17.550671|2.979751|5.033050|2.673689|2.818532|2.443296|2.113685|2.048636|2.257966|3.350162|0.046864|0.044845|0.047778|0.059619|0.078830|0.060222|0.050264|0.073799|0.117535|0.089720|0.094441|0.069105|0.071823|0.087041|0.067570|0.065907|0.056313|0.049872|0.058325|0.051154|0.046932|0.052197|0.055431|0.048293|0.053350|0.089523|0.106906|0.100127|0.141170|0.500000| |1.682977|1.925323|2.116236|2.474781|2.598011|2.267576|1.984172|3.139020|0.080809|3.465086|6.776185|4.277777|3.045086|3.747887|2.742926|2.590526|2.160226|2.091020|1.983947|1.972767|4.926522|3.749983|4.823708|4.481322|5.797823|8.925020|12.430245|17.546141|3.321923|5.524837|3.087932|3.380001|2.926230|2.469934|2.347066|2.567519|3.883894|0.045544|0.043976|0.045808|0.056107|0.074231|0.062838|0.050691|0.079873|0.123445|0.094890|0.109123|0.068113|0.070938|0.083042|0.074707|0.070355|0.060078|0.051912|0.060052|0.054807|0.049741|0.056827|0.055834|0.049491|0.054737|0.088446|0.100797|0.100319|0.141426|0.301875|0.500000| |1.586179|1.785792|1.949063|2.221519|2.289261|2.036686|1.822286|2.637864|0.067685|2.801371|5.498997|3.431938|2.434874|2.838864|2.281016|2.112702|1.822321|1.786034|1.684934|1.695403|4.162967|3.352027|4.426399|4.620512|6.845095|8.979340|10.207688|17.590397|2.866484|5.008737|2.604249|2.714370|2.390396|2.100364|2.046867|2.243106|3.347352|0.043397|0.041269|0.043400|0.052269|0.066155|0.056155|0.046920|0.064928|0.090933|0.073803|0.080518|0.057964|0.059567|0.069222|0.060187|0.057516|0.051024|0.045067|0.051494|0.046490|0.042921|0.047989|0.048240|0.043108|0.046973|0.082677|0.090025|0.105010|0.190038|0.300519|0.300657|0.500000| |2.174696|2.623485|2.791527|3.448654|4.248891|3.729195|2.937055|6.387264|0.199671|6.168705|8.865677|8.308588|4.684891|4.887900|3.542924|4.152942|3.387244|3.499510|3.086075|2.744087|9.388056|4.781264|4.543211|3.715808|3.464245|3.927754|8.503133|3.558257|6.938546|8.922986|8.920222|17.729617|8.949075|5.657544|4.954964|5.655082|7.492772|0.057778|0.057906|0.056803|0.069167|0.095988|0.111907|0.074447|0.179850|0.136348|0.107779|0.161542|0.091570|0.085674|0.097138|0.135399|0.100034|0.111382|0.082364|0.097901|0.079990|0.074966|0.094886|0.075379|0.068385|0.072166|0.110834|0.119434|0.092084|0.082931|0.090875|0.111467|0.085036|0.500000| |1.836277|2.131810|2.193855|2.548266|3.005575|2.858014|2.383865|3.816769|0.124483|3.762082|5.691377|5.754978|3.751690|3.852736|2.889469|3.950981|3.379173|3.371842|3.437956|2.672739|5.141907|2.989514|2.897922|2.586931|2.500063|2.723002|5.358825|2.624210|4.082741|6.060756|5.628327|8.905690|17.688092|8.897231|5.631412|4.957577|12.731210|0.048915|0.050183|0.048002|0.055334|0.069937|0.087491|0.062868|0.134135|0.098346|0.092682|0.131894|0.075837|0.073863|0.075715|0.139774|0.098582|0.110598|0.081943|0.087250|0.090011|0.083095|0.113846|0.070006|0.068196|0.071289|0.074973|0.077405|0.066950|0.063237|0.067901|0.082229|0.066118|0.215860|0.500000| |1.983985|2.254773|2.155911|2.364377|2.855310|3.108732|2.675517|3.191832|0.104024|2.713538|4.207747|3.738859|2.352738|2.254063|2.033086|2.388309|2.318036|2.561053|2.330313|1.963071|4.493878|2.712103|2.523519|2.385310|2.172642|2.174406|4.206251|1.980464|4.111483|6.919982|5.615088|4.955767|5.650860|8.948243|17.741271|8.887355|13.312058|0.054509|0.054978|0.050207|0.053451|0.061150|0.104098|0.075561|0.085957|0.061059|0.056249|0.068109|0.056607|0.051893|0.054590|0.074383|0.059871|0.083148|0.067056|0.068746|0.059437|0.061565|0.073224|0.052908|0.052658|0.051077|0.074647|0.067809|0.066446|0.056198|0.051287|0.058005|0.051578|0.107595|0.124231|0.500000| |2.426730|2.855857|2.709707|3.025312|3.845656|4.327403|3.529156|4.300165|0.137027|3.306191|5.111222|4.225814|2.535450|2.416058|2.223277|2.425696|2.313379|2.604610|2.203778|1.985412|6.614891|3.858263|3.422691|3.204755|2.736920|2.672902|5.331410|2.311808|7.154911|12.885658|8.936129|5.667390|4.961708|5.657132|8.950007|17.738978|7.584012|0.067557|0.065440|0.060436|0.065500|0.076311|0.154207|0.098265|0.094792|0.067681|0.059153|0.071370|0.062210|0.055465|0.061153|0.073542|0.060092|0.083061|0.066979|0.073320|0.056110|0.057820|0.067113|0.054977|0.052585|0.051281|0.110341|0.091282|0.091487|0.069109|0.059510|0.066240|0.059450|0.124441|0.107644|0.213873|0.500000| 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