Version2.0 2020-02-13T04:52:14Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)CCCC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4ccc(cc4)n5cccc5 C39690262 RHF 6-31G(d) (6D,7F) c1ccc(cc1)CCCC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4ccc(cc4)n5cccc5 C01[X(C30H37N4O2)] 213 C1 614 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)CCCc1ccccc1)NCc1ccc(cc1)n1cccc1 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)CCCc1ccccc1)NCc1ccc(cc1)n1cccc1 O=C(CCCc1ccccc1)N2C[C@@H](C(=O)NCc3ccc(cc3)n4cccc4)C5(CC[NH2+]CC5)C2 InChIKey=FVLPPFSSKFRBJT-MHZLTWQESA-O InChI=1S/C30H36N4O2/c35-28(10-6-9-24-7-2-1-3-8-24)34-22-27(30(23-34)15-17-31-18-16-30)29(36)32-21-25-11-13-26(14-12-25)33-19-4-5-20-33/h1-5,7-8,11-14,19-20,27,31H,6,9-10,15-18,21-23H2,(H,32,36)/p+1/t27-/m0/s1 InChI=1/C30H36N4O2/c35-28(10-6-9-24-7-2-1-3-8-24)34-22-27(30(23-34)15-17-31-18-16-30)29(36)32-21-25-11-13-26(14-12-25)33-19-4-5-20-33/h1-5,7-8,11-14,19-20,27,31H,6,9-10,15-18,21-23H2,(H,32,36)/p+1/t27-/m0/s1/fC30H37N4O2/h31-32H/q+1 c1ccc(cc1)CCCC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4ccc(cc4)n5cccc5 C01[X(C30H37N4O2)] 213 C01 614 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)CCCc1ccccc1)NCc1ccc(cc1)n1cccc1 O=C([C@@H]1CN(CC21CC[NH2]CC2)C(=O)CCCc1ccccc1)NCc1ccc(cc1)n1cccc1 O=C(CCCc1ccccc1)N2C[C@@H](C(=O)NCc3ccc(cc3)n4cccc4)C5(CC[NH2]CC5)C2 InChIKey=WJDRHMDBQDSMOU-MHZLTWQESA-N InChI=1S/C30H37N4O2/c35-28(10-6-9-24-7-2-1-3-8-24)34-22-27(30(23-34)15-17-31-18-16-30)29(36)32-21-25-11-13-26(14-12-25)33-19-4-5-20-33/h1-5,7-8,11-14,19-20,27H,6,9-10,15-18,21-23,31H2,(H,32,36)/t27-/m0/s1 InChI=1/C30H37N4O2/c35-28(10-6-9-24-7-2-1-3-8-24)34-22-27(30(23-34)15-17-31-18-16-30)29(36)32-21-25-11-13-26(14-12-25)33-19-4-5-20-33/h1-5,7-8,11-14,19-20,27H,6,9-10,15-18,21-23,31H2,(H,32,36)/t27-/m0/s1/f/h32H 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12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 16141.0222 50707.5204 63428.2005 1.00000 0.00251 -0.00068 -0.00251 0.99998 0.00520 0.00069 -0.00519 0.99999 1 0.00537 0.00171 0.00137 0.11181 0.03559 0.02845 3.73 15.42 21.16 24.15 33.24 35.40 51.49 54.75 76.20 103.84 107.31 126.01 143.16 151.59 157.40 169.20 177.39 196.04 224.76 251.88 284.32 295.73 313.12 337.26 372.09 396.53 438.10 460.66 467.02 488.52 514.98 533.16 536.74 557.46 589.11 632.47 655.21 656.43 667.31 686.45 696.84 715.86 754.08 797.52 823.80 839.01 890.65 898.42 938.88 962.72 965.90 977.02 980.70 1001.03 1014.83 1111.30 1121.24 1126.89 1157.29 1165.88 1172.53 1201.81 1212.63 1223.86 1245.50 1258.15 1268.93 1277.07 1282.32 1325.60 1350.84 1353.50 1365.14 1368.47 1370.23 1375.82 1376.48 1409.31 1431.36 1451.43 1460.24 1477.05 1484.51 1520.23 1526.46 1541.64 1561.98 1568.29 1571.70 1580.45 1583.72 1584.64 1595.16 1597.94 1606.19 1609.18 1622.12 1628.02 1638.45 1639.11 1640.93 1660.27 1668.78 1679.72 1693.25 1704.07 1724.32 1736.98 1764.35 1766.57 1778.58 1780.59 1832.03 1843.26 1852.59 1873.60 1880.87 1898.31 1901.62 1914.30 1918.18 1928.61 1938.03 1947.25 1969.87 1975.32 1989.31 2007.52 2020.33 2041.53 2047.97 2080.27 2086.13 2090.88 2093.64 2101.80 2117.16 2124.22 2127.89 2141.39 2163.05 2176.52 2180.58 2208.39 2221.28 2229.67 2240.90 2250.60 2252.30 2258.13 2277.48 2283.06 2283.38 2320.62 2332.98 2344.92 2350.52 2360.63 2366.56 2373.34 2386.63 2386.81 2397.92 2405.56 2413.05 2429.36 2437.80 2457.57 2499.59 2554.44 2569.40 2607.64 2622.06 2629.48 2771.15 2799.22 4592.47 4594.30 4601.09 4612.75 4635.73 4641.49 4642.21 4662.20 4667.38 4680.09 4696.95 4702.51 4719.95 4722.78 4730.75 4733.52 4740.39 4766.37 4792.42 4805.07 4812.94 4816.16 4817.16 4831.74 4835.40 4840.98 4856.24 4876.63 4886.87 4889.23 4927.92 4946.27 4975.88 4983.41 5276.14 5367.38 5593.59 0.679477 0.710576 0.711520 0.607438 -1524.262920 -1524.231822 -1524.230877 -1524.334959 3.490927D-04 MUNgauss RevisionA2.0 retrievium 13-Feb-2020 DUDE c1ccc(cc1)CCCC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4ccc(cc4)n5cccc5 C39690262 RHF 6-31G(d) (6D,10F) C1 485.291652 |X|Y|Z| 89.689299 162.449248 33.852494 79.010171 34 6 7 30 4 |36.858105| |13.749217|36.858105| |7.933723|13.754848|36.858105| |6.816507|7.890848|13.701801|36.858105| |7.934397|6.895052|7.977017|13.707893|36.858105| |13.755257|7.959853|6.894135|7.890150|13.748708|36.858105| |4.421442|5.008789|7.543734|12.581789|7.541266|5.007262|36.858105| |3.748039|4.175943|5.698660|7.509347|5.624791|4.145972|12.411718|36.858105| |2.902546|3.177596|4.054627|4.895977|4.031615|3.166118|7.510196|12.469921|36.858105| |2.525154|2.728232|3.301813|3.754737|3.268316|2.708956|4.887619|7.508464|12.560319|36.858105| |2.577890|2.779576|3.297588|3.652301|3.224509|2.735052|4.413264|6.811386|7.962739|15.877091|73.516695| |2.152732|2.300121|2.711104|3.028545|2.710576|2.299618|3.817032|5.034108|7.751569|13.938706|15.215565|53.358707| |2.008776|2.140232|2.515603|2.813968|2.530498|2.149244|3.578500|4.283199|6.497830|7.552833|9.428170|17.857100|36.858105| |1.734226|1.833671|2.100787|2.295938|2.106904|1.837628|2.774942|3.219775|4.304593|5.133362|7.429022|10.932759|12.284057|36.858105| |1.646387|1.724740|1.960165|2.152110|2.003186|1.753788|2.576708|2.901030|3.759926|4.214198|6.240981|8.046171|8.748798|17.565235|0.500000| |1.711502|1.796329|2.034542|2.215991|2.060198|1.813839|2.614709|3.125560|3.999738|5.247379|8.217156|11.081662|7.793871|12.252422|0.241944|36.858105| |1.918445|2.035790|2.334253|2.537888|2.318384|2.025077|3.023592|3.833389|5.009097|7.830167|12.562792|17.909762|7.883103|7.921823|0.158809|12.390103|36.858105| |1.693028|1.746265|1.959883|2.168541|2.066802|1.820678|2.531111|2.987057|3.701993|4.615150|7.385954|8.575223|6.135300|7.580000|0.205416|12.314103|7.513450|36.858105| |1.626853|1.663976|1.838987|2.016658|1.949694|1.744730|2.285795|2.699355|3.156827|3.936712|6.851744|6.522035|4.285578|4.879754|0.130516|7.414984|6.035048|12.499197|36.858105| |1.470413|1.510659|1.655554|1.782735|1.716112|1.556267|1.994577|2.316178|2.665264|3.259937|5.764580|5.329256|3.610061|4.359349|0.116687|6.444795|5.112406|7.678429|12.645468|53.358707| |1.427930|1.460360|1.586921|1.700838|1.648873|1.508241|1.876785|2.170543|2.438010|2.947587|5.345995|4.617482|3.088687|3.565764|0.095588|4.910109|4.294015|5.672987|9.171653|25.683472|0.500000| |1.392204|1.427538|1.560857|1.680355|1.622123|1.473987|1.878522|2.143917|2.466896|2.927050|5.075385|4.783754|3.409739|4.225603|0.118860|5.755529|4.348774|6.999783|9.196053|25.678088|0.328397|0.500000| |1.480028|1.539486|1.695312|1.803938|1.708845|1.549541|2.027486|2.370902|2.756599|3.445227|6.120321|5.756469|3.838651|4.826878|0.121030|7.483647|6.040508|6.511396|7.580247|17.192093|0.254351|0.255633|36.858105| |1.526622|1.600650|1.784519|1.906100|1.782947|1.599426|2.187588|2.550785|3.086181|3.851691|6.455437|6.973211|4.976285|7.336803|0.173206|12.385659|7.415792|7.617698|6.477348|10.447254|0.157505|0.195338|12.512999|36.858105| |1.640356|1.754008|2.001811|2.134961|1.937118|1.709809|2.544509|2.885217|3.712719|4.252993|6.426810|7.933036|7.594720|12.465120|0.246919|7.370555|6.018074|4.916262|3.725571|4.941556|0.085382|0.098865|4.290830|6.453157|36.858105| |1.643065|1.770694|2.016020|2.115880|1.905854|1.694401|2.491351|2.861081|3.593930|4.243755|6.675036|7.552591|6.090445|7.963528|0.164065|6.534369|6.199543|4.315252|3.512610|4.800931|0.084522|0.093641|4.410809|6.374408|15.805293|73.516695| |1.542701|1.645303|1.866520|1.984003|1.809610|1.605759|2.345552|2.561746|3.206108|3.436235|5.254443|5.921632|5.755812|7.848594|0.211579|5.125505|4.272674|3.982181|3.114461|4.169118|0.073495|0.086069|3.461424|4.784035|14.220931|15.148918|53.358707| |1.454719|1.559811|1.756390|1.833896|1.667967|1.496691|2.131041|2.285045|2.757080|2.894862|4.558922|4.687742|4.176172|4.995449|0.133524|3.819713|3.419022|3.085775|2.562166|3.508908|0.063480|0.072352|2.932510|3.797376|7.768788|12.193491|17.704641|36.858105| |1.363394|1.452629|1.623059|1.695759|1.557094|1.404605|1.951087|2.041147|2.411748|2.458450|3.896949|3.869181|3.435858|3.937588|0.112776|3.106416|2.774644|2.674418|2.252984|3.073764|0.056260|0.064349|2.479405|3.076036|5.132461|7.975911|10.631014|12.620659|36.858105| |1.394564|1.489240|1.667273|1.739899|1.592702|1.435205|2.004202|2.050213|2.401594|2.367937|3.735806|3.629013|3.226623|3.448561|0.098753|2.737233|2.519710|2.415879|2.047442|2.741661|0.050651|0.057013|2.172445|2.626693|4.200734|6.628597|7.870201|7.553288|13.716735|36.858105| |1.302010|1.380943|1.531288|1.596380|1.476762|1.340417|1.814218|1.830791|2.101491|2.055251|3.278964|3.098269|2.698624|2.854490|0.083269|2.344800|2.159694|2.135082|1.839191|2.466542|0.045983|0.051643|1.921848|2.266879|3.285264|5.255513|5.756080|5.013317|7.888872|13.771258|36.858105| |1.202923|1.267274|1.393947|1.453731|1.357898|1.239902|1.636226|1.661928|1.893338|1.879016|3.029711|2.843187|2.441519|2.652089|0.078524|2.230601|2.022335|2.057629|1.791474|2.434349|0.045506|0.051543|1.886333|2.205653|3.009296|4.830974|5.193125|4.421012|6.804316|7.928255|13.710908|36.858105| |1.182438|1.244097|1.367377|1.427360|1.335394|1.219765|1.606637|1.656771|1.898102|1.923106|3.113248|2.954523|2.529295|2.858005|0.085141|2.418245|2.147363|2.211611|1.925089|2.659050|0.049460|0.056808|2.077589|2.453316|3.304102|5.285475|5.803610|5.014223|7.889429|6.898012|7.946713|13.703174|36.858105| |1.250451|1.321672|1.461735|1.527040|1.418974|1.289690|1.733835|1.813510|2.109428|2.170346|3.493949|3.399982|2.943812|3.446495|0.101584|2.850148|2.496998|2.522704|2.163725|3.007562|0.055315|0.064053|2.401015|2.923403|4.231615|6.682614|7.967318|7.552726|13.711464|7.991533|6.898251|7.928606|13.780068|36.858105| |1.129177|1.183702|1.292313|1.345350|1.266041|1.163331|1.498236|1.508164|1.692690|1.669759|2.714256|2.491635|2.104656|2.250349|0.066630|1.938369|1.772353|1.823069|1.610792|2.186772|0.041245|0.046361|1.674256|1.917500|2.476169|4.028465|4.080913|3.333716|4.530229|5.162780|7.853347|13.554938|7.853540|5.163825|53.358707| |1.046441|1.094439|1.186834|1.229781|1.162122|1.074895|1.356722|1.369132|1.521769|1.512201|2.483896|2.244974|1.862883|2.000354|0.058815|1.762279|1.616368|1.664491|1.492705|2.046776|0.038871|0.043482|1.566521|1.769697|2.193025|3.628795|3.524180|2.878707|3.710989|3.955878|5.238010|7.692643|6.308730|4.362622|18.861517|36.858105| |1.005981|1.048214|1.131533|1.172209|1.113376|1.033670|1.285128|1.287311|1.418093|1.399851|2.306635|2.058939|1.696693|1.797027|0.052827|1.597911|1.475893|1.527574|1.379483|1.881916|0.035930|0.039928|1.427334|1.594294|1.933646|3.209202|3.045230|2.427681|3.002823|3.243134|4.160527|5.326838|4.449160|3.375110|11.696418|14.082166|36.858105| |1.052867|1.096036|1.185872|1.233369|1.172110|1.085087|1.356158|1.347338|1.485314|1.450011|2.375259|2.126025|1.765976|1.845178|0.054504|1.625259|1.505111|1.562353|1.401579|1.890461|0.036025|0.040012|1.425611|1.596785|1.963589|3.228860|3.097409|2.428509|3.002693|3.374068|4.448193|5.327023|4.160643|3.243478|11.695857|8.510722|13.340563|36.858105| |1.133039|1.183774|1.290152|1.346672|1.272543|1.170060|1.495822|1.488245|1.659215|1.615332|2.622457|2.386330|2.013917|2.107561|0.062576|1.820459|1.677603|1.736301|1.536852|2.063479|0.039048|0.043639|1.562641|1.774630|2.262487|3.673323|3.653401|2.880883|3.710665|4.360811|6.307029|7.693934|5.237172|3.955723|18.860766|8.554657|8.511386|14.082529|36.858105| |17.719603|8.905489|5.642237|4.922782|5.642146|8.907112|3.538511|3.112296|2.501558|2.228358|4.067198|2.627402|1.807546|1.583241|0.041910|1.569583|1.745960|1.556390|1.507279|1.867914|0.037195|0.036171|1.379467|1.414477|1.504627|2.684675|1.933470|1.346659|1.267345|1.294937|1.215111|1.127721|1.109063|1.168768|1.446960|0.989396|0.953596|0.996218|1.067299|0.500000| |8.912446|17.714641|8.926350|5.628711|4.963257|5.653243|4.089297|3.565775|2.829869|2.488733|4.535058|2.896537|1.985574|1.723620|0.044996|1.690317|1.910402|1.631559|1.560567|1.948758|0.038538|0.037627|1.467913|1.523328|1.669252|3.017975|2.137904|1.504095|1.402064|1.437688|1.335342|1.226548|1.203784|1.277414|1.561952|1.064632|1.020098|1.063727|1.145789|0.214619|0.500000| |5.648130|8.935881|17.691424|8.907917|5.658143|4.960984|6.999746|5.613852|4.176192|3.407489|6.011378|3.816222|2.607522|2.174866|0.055897|2.088531|2.411755|1.975464|1.841228|2.274009|0.044327|0.043744|1.732076|1.837706|2.106273|3.806834|2.671035|1.862050|1.710166|1.760701|1.606206|1.453032|1.423730|1.528367|1.825227|1.229705|1.168297|1.222477|1.333744|0.124203|0.216080|0.500000| |5.648550|4.961333|5.657858|8.910028|17.689766|8.933872|6.995562|5.488638|4.131206|3.342296|5.767671|3.814473|2.637204|2.186909|0.058271|2.138753|2.380611|2.184998|2.055018|2.432224|0.047604|0.047021|1.757984|1.834536|1.977701|3.419221|2.517070|1.686977|1.580078|1.613546|1.499324|1.382703|1.361320|1.444573|1.755867|1.182007|1.133394|1.195996|1.299666|0.124202|0.107663|0.124179|0.500000| |8.914252|5.652903|4.962677|5.628349|8.923154|17.713274|4.087927|3.532660|2.815494|2.462807|4.427334|2.895581|1.998454|1.729498|0.046204|1.716522|1.894704|1.743682|1.684394|2.045518|0.040632|0.039650|1.483524|1.521451|1.602948|2.813421|2.056353|1.407127|1.327590|1.354097|1.271950|1.183305|1.165298|1.227210|1.517755|1.033187|0.996579|1.046104|1.123920|0.214641|0.124168|0.107655|0.216020|0.500000| |3.979453|4.214310|5.664651|8.915351|7.173479|4.737144|17.522421|8.832985|6.914713|4.557680|7.108150|5.080521|3.637255|2.809723|0.073915|2.616623|2.939988|2.592078|2.317406|2.725573|0.052176|0.052777|2.006502|2.172751|2.529275|4.309989|3.211729|2.121765|1.966485|2.029896|1.850653|1.671261|1.635182|1.754328|2.089627|1.385006|1.316059|1.397091|1.543216|0.090574|0.097053|0.143447|0.215809|0.112466|0.500000| |3.978677|4.721965|7.120475|8.912451|5.689626|4.223723|17.523469|8.841372|6.905354|4.570206|7.198933|5.041602|3.588472|2.788396|0.071698|2.565064|2.942274|2.428412|2.171038|2.617691|0.050077|0.050578|1.980634|2.164772|2.627190|4.590221|3.333118|2.254229|2.064716|2.146877|1.933186|1.722822|1.679098|1.813518|2.139779|1.417481|1.340139|1.417115|1.569656|0.090561|0.112005|0.212596|0.144408|0.097329|0.303884|0.500000| |3.803958|4.438031|6.088497|6.869810|5.030094|3.972740|8.822631|17.587849|8.874848|6.924943|12.641110|6.372674|3.885075|3.031801|0.074966|2.991814|3.753401|2.789918|2.568581|3.063174|0.058983|0.057555|2.345012|2.500866|2.802067|5.084368|3.365210|2.243905|1.987796|1.987441|1.770137|1.608712|1.608454|1.765979|1.986103|1.331392|1.249758|1.300765|1.432447|0.088266|0.107763|0.177891|0.128423|0.093183|0.173402|0.211254|0.500000| |3.813047|4.018859|5.116606|6.890103|5.980911|4.399439|8.827820|17.566691|8.864516|6.867625|12.165784|6.438775|3.938653|3.054243|0.077379|3.070045|3.743876|3.041395|2.817687|3.236858|0.062446|0.060796|2.386270|2.510566|2.680937|4.706967|3.236608|2.111243|1.897950|1.891838|1.704631|1.565150|1.568373|1.709671|1.944224|1.303414|1.229278|1.284242|1.411091|0.088447|0.094466|0.131556|0.171216|0.106353|0.210769|0.173509|0.305302|0.500000| |2.762006|2.937545|3.656980|4.551085|3.963318|3.089426|6.862939|8.809936|17.514186|8.916321|10.839369|9.701568|6.880522|4.444711|0.112298|4.014864|4.664569|3.910099|3.248665|3.659953|0.067931|0.070007|2.709015|3.049870|3.668909|6.051150|4.415114|2.737485|2.440997|2.445358|2.157956|1.947932|1.945791|2.146990|2.376899|1.561844|1.459765|1.539207|1.724129|0.066512|0.072342|0.101572|0.118475|0.077750|0.207619|0.171070|0.173473|0.210948|0.500000| |2.761657|3.094295|3.974758|4.555042|3.650879|2.933343|6.886190|8.817777|17.502381|8.979008|11.119722|9.427246|6.582254|4.365008|0.105077|3.833115|4.664618|3.405682|2.875534|3.407046|0.063412|0.065058|2.643165|3.025395|3.991530|6.909684|4.754238|3.045156|2.640973|2.663714|2.296449|2.034109|2.023614|2.260990|2.455116|1.610842|1.494688|1.568368|1.764106|0.066498|0.077922|0.119174|0.101250|0.072194|0.172199|0.208144|0.210819|0.173406|0.304477|0.500000| |2.043646|2.148422|2.520809|2.887120|2.643287|2.222742|3.701366|4.293670|6.383662|6.550863|8.422602|12.324212|17.565416|8.727177|0.227014|6.308240|6.016562|6.028811|4.197964|4.657763|0.082101|0.091250|3.444829|4.252060|5.682647|8.187210|6.625850|3.642037|3.174165|3.055106|2.625208|2.386840|2.443440|2.773900|2.837265|1.839409|1.690617|1.776767|2.024337|0.050981|0.054855|0.071329|0.078177|0.057789|0.109201|0.101029|0.103679|0.112270|0.218182|0.169327|0.500000| |2.048807|2.214938|2.633218|2.910518|2.558343|2.169567|3.760652|4.347528|6.606501|6.696498|8.555425|12.263883|17.587003|8.703324|0.189712|5.734981|6.051718|4.580835|3.465710|4.152754|0.074093|0.080891|3.299615|4.197296|7.577899|11.124263|8.400944|4.634723|3.763554|3.630686|2.960298|2.602149|2.650353|3.096226|3.023278|1.946922|1.767456|1.847903|2.125598|0.051061|0.057324|0.077215|0.073019|0.055539|0.104791|0.109414|0.111015|0.105998|0.185240|0.216238|0.302929|0.500000| |1.867872|2.004461|2.291821|2.435101|2.199331|1.941447|2.864298|3.580470|4.517207|6.627429|11.349833|12.351244|6.427460|6.723593|0.136721|8.779423|17.599269|5.506071|4.777584|6.113225|0.107992|0.107919|5.771743|7.096956|6.241570|13.273119|5.910334|3.614949|2.852296|2.566734|2.178883|2.034410|2.167932|2.546501|2.415597|1.624685|1.476719|1.496768|1.666952|0.047392|0.052827|0.066769|0.061762|0.050238|0.075934|0.078992|0.101222|0.094941|0.112707|0.123231|0.135614|0.155636|0.500000| |1.952112|2.052454|2.329580|2.537259|2.352384|2.067891|2.956554|3.804493|4.665732|7.317353|13.852154|12.512391|5.817989|5.666086|0.126826|8.604406|17.639924|7.077761|6.808660|7.460805|0.132655|0.123127|6.114107|6.240503|4.509099|8.290807|4.702249|2.870247|2.402045|2.206389|1.927301|1.820164|1.925470|2.201015|2.200314|1.486369|1.367389|1.393233|1.539203|0.049480|0.053388|0.066053|0.067264|0.054019|0.079599|0.078152|0.104261|0.107659|0.120583|0.115445|0.138157|0.130130|0.302416|0.500000| |1.835201|1.884594|2.131902|2.404771|2.301894|1.999097|2.850089|3.397872|4.294663|5.287473|8.152065|9.611559|6.807502|6.902354|0.188526|8.733540|7.037261|17.587383|9.017515|7.629158|0.127214|0.143217|4.887175|5.514589|4.474249|6.965551|5.058574|2.906625|2.555784|2.366893|2.101672|2.003204|2.114852|2.380926|2.429938|1.621501|1.498307|1.546470|1.720263|0.046546|0.048434|0.059193|0.068509|0.053151|0.082319|0.074763|0.085701|0.097464|0.131334|0.105799|0.206247|0.136487|0.140738|0.189693|0.500000| |1.578753|1.622831|1.810536|1.997010|1.914519|1.696513|2.315294|2.648300|3.232617|3.789211|6.048497|6.732859|5.351880|7.039196|0.226876|8.772988|5.493446|17.510308|8.914135|9.370662|0.143854|0.204066|5.683075|6.819237|4.758856|7.147665|5.574279|3.145133|2.792163|2.502597|2.232068|2.179824|2.365210|2.687196|2.629142|1.761248|1.613734|1.650256|1.836905|0.040491|0.042238|0.050664|0.056338|0.045359|0.066554|0.062244|0.068590|0.074370|0.096405|0.084535|0.152506|0.116322|0.122998|0.141035|0.303681|0.500000| |1.726564|1.766905|1.953045|2.140421|2.067890|1.850662|2.413258|2.917619|3.358770|4.349897|7.969536|6.888203|4.170797|4.436490|0.113554|6.611372|6.552703|8.734144|17.648285|12.434860|0.225547|0.181214|6.904686|5.673024|3.492768|6.058551|3.935583|2.422492|2.118110|1.943532|1.743493|1.685488|1.795978|2.013788|2.068181|1.410327|1.306973|1.328797|1.453676|0.044360|0.045961|0.054209|0.060316|0.049507|0.067150|0.063053|0.077863|0.085905|0.093819|0.083397|0.111700|0.094774|0.142916|0.239434|0.214373|0.173223|0.500000| |1.579715|1.599295|1.753811|1.931580|1.895554|1.704731|2.166149|2.511018|2.871974|3.425274|5.963765|5.421826|3.695118|4.069779|0.114090|5.427262|4.595763|8.769598|17.625576|12.363701|0.222199|0.225082|5.572907|4.888092|3.185084|5.289853|3.769141|2.310756|2.080349|1.910457|1.740327|1.705751|1.824231|2.019085|2.108947|1.440334|1.340047|1.364617|1.488567|0.040808|0.041589|0.048369|0.055967|0.046126|0.061692|0.056814|0.065818|0.073665|0.083596|0.072465|0.104845|0.084892|0.105129|0.141435|0.212509|0.217069|0.301625|0.500000| |1.554181|1.620915|1.785004|1.891948|1.786694|1.622098|2.116753|2.517676|2.893581|3.723392|6.897946|6.031979|3.770558|4.423209|0.107544|6.724772|6.630868|5.749836|6.937098|12.417175|0.224104|0.181098|17.627706|8.749363|3.976679|7.561153|4.329377|2.743592|2.312642|2.056657|1.818593|1.768475|1.923666|2.209258|2.144929|1.475215|1.349859|1.351413|1.478131|0.040204|0.042961|0.050706|0.050792|0.043011|0.057539|0.057158|0.070102|0.070760|0.077376|0.076334|0.093106|0.090743|0.182211|0.205154|0.128925|0.132302|0.207452|0.142704|0.500000| |1.371827|1.425844|1.558014|1.643532|1.561097|1.428144|1.827021|2.102269|2.401429|2.909994|5.195559|4.703625|3.228250|4.004829|0.103436|5.454294|4.597248|4.890862|5.574473|12.362767|0.222874|0.224566|17.627493|8.768918|3.791232|7.027882|4.337763|2.793851|2.390614|2.081527|1.856409|1.843146|2.048171|2.359173|2.235927|1.551992|1.412381|1.399246|1.524815|0.035713|0.037984|0.044277|0.044438|0.038084|0.050179|0.049856|0.058123|0.058595|0.065517|0.064732|0.081402|0.079581|0.128286|0.128006|0.107715|0.127720|0.142685|0.126486|0.301233|0.500000| |1.433755|1.497039|1.661256|1.775096|1.670701|1.503877|2.029123|2.313116|2.775002|3.306408|5.474445|5.820656|4.482996|6.804513|0.183154|8.788486|5.446617|6.836817|5.699588|9.429127|0.144510|0.206812|8.902621|17.491109|6.191046|10.030961|6.847251|3.956950|3.283573|2.747896|2.388592|2.365259|2.683828|3.217909|2.788796|1.892782|1.695854|1.691342|1.882507|0.037018|0.039620|0.047406|0.047915|0.039914|0.056560|0.056003|0.062494|0.063203|0.077699|0.076242|0.110867|0.107308|0.143917|0.131209|0.139492|0.200525|0.131718|0.128735|0.173080|0.215257|0.500000| |1.515934|1.603109|1.788751|1.887466|1.747973|1.573413|2.161261|2.513417|3.024546|3.752130|6.343548|6.621469|4.702861|6.615856|0.150081|8.793105|6.891344|5.520045|4.860230|7.619150|0.126967|0.143858|8.994484|17.646428|7.088095|14.518592|6.911740|4.201025|3.263152|2.746703|2.336817|2.260120|2.523514|3.059335|2.653188|1.802525|1.613758|1.607434|1.788566|0.039046|0.042644|0.051677|0.049469|0.041376|0.058931|0.060131|0.069606|0.067706|0.081177|0.084322|0.108305|0.116426|0.216557|0.156731|0.123072|0.139579|0.127022|0.107521|0.212891|0.212745|0.303706|0.500000| |1.530002|1.620589|1.835902|1.970088|1.811762|1.603793|2.333606|2.513655|3.141732|3.283480|4.985447|5.603342|5.661110|7.465452|0.238418|4.809909|3.922082|4.015549|3.090719|4.062153|0.071628|0.085179|3.236987|4.348396|9.379215|10.862157|26.079329|8.999814|7.602261|6.001976|4.534152|4.111456|4.542497|5.992590|4.382401|2.726843|2.362510|2.436189|2.912271|0.039132|0.042792|0.053190|0.051856|0.042085|0.066290|0.067354|0.066337|0.065233|0.090989|0.093975|0.143121|0.164439|0.106166|0.090064|0.105979|0.119109|0.078584|0.077798|0.082015|0.082664|0.130816|0.121086|0.500000| |1.527696|1.654115|1.874215|1.940857|1.743536|1.561942|2.264656|2.420369|2.917836|3.021145|4.748157|4.777851|4.178824|4.615046|0.118253|3.590092|3.401821|2.891388|2.427401|3.284702|0.059987|0.066649|2.750595|3.478596|6.963595|12.165854|12.430324|17.600364|8.868944|7.129886|4.720476|3.962742|4.201157|5.647902|4.189481|2.669006|2.286171|2.305208|2.717316|0.039180|0.044443|0.055811|0.048596|0.040530|0.061938|0.067543|0.066663|0.061209|0.079000|0.091888|0.099795|0.135555|0.101951|0.079363|0.077048|0.079887|0.064945|0.060754|0.073263|0.072365|0.096782|0.108067|0.189460|0.500000| |1.384379|1.481527|1.655238|1.717552|1.569833|1.419155|1.970376|2.130025|2.529795|2.715999|4.375815|4.378807|3.712787|4.561412|0.120383|3.748286|3.341629|3.002657|2.553827|3.601135|0.065361|0.074419|3.083382|3.979134|6.974089|12.340203|12.469255|17.610795|8.867373|5.669513|4.211163|3.961787|4.704239|7.083989|4.188777|2.753411|2.319163|2.272305|2.635339|0.035754|0.039849|0.048675|0.044004|0.037160|0.054172|0.057434|0.058688|0.055177|0.069120|0.076365|0.089828|0.110080|0.100308|0.078737|0.076951|0.084841|0.067082|0.063680|0.079614|0.083407|0.116193|0.126983|0.186158|0.303899|0.500000| |1.493960|1.607692|1.815110|1.890216|1.711138|1.533890|2.197713|2.231785|2.627471|2.543108|3.976568|3.851278|3.438484|3.510242|0.097909|2.762822|2.612186|2.420090|2.046268|2.706786|0.050084|0.055650|2.149202|2.592076|4.267259|6.831618|7.623987|6.994105|8.907950|17.700699|8.965290|5.650851|4.963861|5.663124|5.700809|3.331235|2.845998|3.006670|3.778867|0.038367|0.043097|0.053662|0.047938|0.039956|0.061563|0.066362|0.060145|0.056453|0.073827|0.082767|0.089804|0.111702|0.074205|0.063287|0.066735|0.068485|0.054520|0.052854|0.057230|0.056682|0.073695|0.075579|0.156638|0.214358|0.143980|0.500000| |1.309835|1.389862|1.538899|1.600417|1.480537|1.346277|1.811419|1.801240|2.044892|1.967881|3.144978|2.917214|2.517107|2.585050|0.074894|2.148027|2.010952|1.976794|1.715099|2.282698|0.042807|0.047568|1.766411|2.055842|2.904095|4.704583|4.877247|4.092173|5.629514|8.926583|17.743460|8.915868|5.650915|4.967872|9.785010|4.910501|4.171459|4.724873|6.796369|0.033979|0.037375|0.044850|0.041680|0.035478|0.051448|0.053924|0.048322|0.046477|0.058414|0.062246|0.068759|0.077114|0.056209|0.050246|0.054656|0.057019|0.045459|0.045310|0.046811|0.047295|0.059526|0.058642|0.106149|0.112204|0.097172|0.216614|0.500000| |1.115315|1.168279|1.276549|1.331736|1.253959|1.150809|1.487568|1.535503|1.743975|1.776377|2.901087|2.717822|2.290910|2.597916|0.077690|2.256796|1.997136|2.094841|1.849142|2.578671|0.048239|0.055522|1.999597|2.323572|2.933451|4.746735|4.941997|4.092603|5.628777|4.967161|5.650891|8.913584|17.742248|8.927897|9.788462|6.811584|4.730075|4.171298|4.906981|0.029156|0.031431|0.036773|0.035553|0.030658|0.042086|0.042911|0.041449|0.040669|0.049696|0.051126|0.061860|0.065634|0.055849|0.050264|0.055378|0.062629|0.047773|0.049018|0.051220|0.055323|0.071215|0.065930|0.106893|0.096780|0.111564|0.107744|0.124211|0.500000| |1.220294|1.286955|1.418958|1.481728|1.381423|1.258643|1.675566|1.771705|2.057413|2.157037|3.503690|3.407488|2.901262|3.513124|0.103265|2.986435|2.570343|2.627395|2.272266|3.226765|0.059188|0.069333|2.603983|3.184229|4.332853|6.944101|7.802094|6.996024|8.907118|5.663326|4.963741|5.650101|8.966242|17.698748|5.701224|3.782488|3.008253|2.845483|3.329171|0.031735|0.034569|0.041124|0.039085|0.033330|0.046950|0.048317|0.048097|0.046708|0.057927|0.060608|0.075312|0.082849|0.073146|0.063057|0.067578|0.078211|0.058352|0.058652|0.065675|0.072088|0.099666|0.093145|0.156761|0.143081|0.211425|0.124193|0.107756|0.216558|0.500000| |1.026189|1.074577|1.164120|1.202818|1.135401|1.051784|1.324975|1.346030|1.496129|1.500166|2.475036|2.233368|1.840927|1.998554|0.058407|1.774290|1.624831|1.664376|1.499724|2.076336|0.039468|0.044156|1.600439|1.806295|2.216462|3.702864|3.552260|2.952395|3.777104|3.838335|4.786916|6.914696|6.641885|4.620307|12.175095|17.817134|8.649496|5.787760|5.886835|0.026975|0.029090|0.033557|0.032018|0.028069|0.037396|0.038405|0.036522|0.035626|0.042414|0.043950|0.050053|0.053280|0.045644|0.041499|0.044698|0.048857|0.039358|0.040065|0.041790|0.044350|0.053820|0.051443|0.075167|0.075486|0.080303|0.089377|0.120065|0.215200|0.114220|0.500000| 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