Version2.0 2020-07-19T18:06:49Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 10-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(n(n1)CCNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4c(noc4c5cc(on5)C)C)C C39675059 RHF 6-31G(d) (6D,7F) Cc1cc(n(n1)CCNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4c(noc4c5cc(on5)C)C)C C01[X(C25H34N7O4)] 204 C1 608 Cc1onc(c1)c1onc(c1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCn1nc(cc1C)C)C Cc1onc(c1)c1onc(c1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCn1nc(cc1C)C)C Cc1onc(c1)c2onc(C)c2C(=O)N3C[C@H](C(=O)NCCn4nc(C)cc4C)C5(CC[NH2+]CC5)C3 InChIKey=UTLCSPOMHZZLHW-LJQANCHMSA-O InChI=1S/C25H33N7O4/c1-15-11-16(2)32(28-15)10-9-27-23(33)19-13-31(14-25(19)5-7-26-8-6-25)24(34)21-18(4)29-36-22(21)20-12-17(3)35-30-20/h11-12,19,26H,5-10,13-14H2,1-4H3,(H,27,33)/p+1/t19-/m1/s1 InChI=1/C25H33N7O4/c1-15-11-16(2)32(28-15)10-9-27-23(33)19-13-31(14-25(19)5-7-26-8-6-25)24(34)21-18(4)29-36-22(21)20-12-17(3)35-30-20/h11-12,19,26H,5-10,13-14H2,1-4H3,(H,27,33)/p+1/t19-/m1/s1/fC25H34N7O4/h26-27H/q+1 Cc1cc(n(n1)CCNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4c(noc4c5cc(on5)C)C)C C01[X(C25H34N7O4)] 204 C01 608 Cc1onc(c1)c1onc(c1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCCn1nc(cc1C)C)C O=C([C@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[C](=NOC=1[C]1[N]OC(=[CH]1)C)C)NCC[N]1[N][C]([CH][C]1C)C C[C]1[CH][C](C)N(CCNC(=O)[C@H]2CN(CC23CC[NH2]CC3)C(=O)c4c(C)noc4[C]5[N]OC(=C5)C)[N]1 InChIKey=ZZSJDKFNVOQXSP-LJQANCHMSA-N InChI=1S/C25H34N7O4/c1-15-11-16(2)32(28-15)10-9-27-23(33)19-13-31(14-25(19)5-7-26-8-6-25)24(34)21-18(4)29-36-22(21)20-12-17(3)35-30-20/h11-12,19H,5-10,13-14,26H2,1-4H3,(H,27,33)/t19-/m1/s1 InChI=1/C25H34N7O4/c1-15-11-16(2)32(28-15)10-9-27-23(33)19-13-31(14-25(19)5-7-26-8-6-25)24(34)21-18(4)29-36-22(21)20-12-17(3)35-30-20/h11-12,19H,5-10,13-14,26H2,1-4H3,(H,27,33)/t19-/m1/s1/f/h27H 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12401.5661 37758.3624 38628.6830 0.99998 0.00471 -0.00405 -0.00463 0.99980 0.01926 0.00414 -0.01924 0.99981 1 0.00698 0.00229 0.00224 0.14553 0.04780 0.04672 10.60 11.86 18.71 40.12 40.91 48.42 67.65 73.35 80.16 101.76 114.80 123.03 126.92 140.29 151.29 176.46 194.23 207.56 223.48 226.53 231.87 271.39 290.62 291.57 297.96 317.99 352.89 362.34 377.94 402.89 414.70 433.26 440.34 452.07 473.46 507.54 526.95 536.10 539.72 566.83 607.63 630.28 651.96 656.85 682.53 709.66 727.61 752.47 792.55 812.25 823.14 907.95 926.57 980.14 1001.32 1005.98 1018.35 1022.44 1057.78 1069.12 1074.70 1084.99 1134.65 1184.29 1202.45 1211.78 1235.13 1237.44 1254.61 1262.38 1264.29 1286.02 1290.61 1331.47 1351.44 1368.37 1410.24 1458.30 1479.49 1511.69 1521.35 1526.31 1536.73 1561.11 1574.33 1583.24 1588.43 1594.72 1596.62 1620.17 1626.29 1630.96 1637.37 1646.85 1658.94 1659.42 1683.12 1686.52 1691.72 1694.67 1702.16 1709.90 1718.58 1762.71 1782.22 1798.90 1820.29 1836.50 1865.49 1876.52 1892.45 1910.43 1923.27 1939.36 1940.47 1963.49 1973.11 2022.31 2034.14 2051.45 2077.45 2088.82 2100.35 2105.51 2114.59 2127.56 2156.29 2169.66 2187.56 2199.29 2206.38 2228.53 2232.51 2240.83 2241.85 2251.37 2251.89 2255.57 2263.83 2266.62 2276.64 2278.39 2299.74 2311.94 2326.17 2332.97 2339.30 2340.99 2341.19 2343.83 2344.69 2346.99 2353.60 2355.12 2363.09 2378.37 2387.71 2388.66 2413.39 2428.33 2430.22 2459.50 2474.30 2525.93 2561.46 2625.80 2628.80 2667.89 2780.71 2795.42 4603.25 4614.31 4620.17 4622.58 4626.03 4638.17 4641.49 4648.51 4670.96 4689.36 4691.92 4699.58 4700.23 4708.49 4718.33 4726.61 4734.69 4735.45 4737.47 4752.37 4758.43 4760.58 4780.30 4780.82 4788.64 4789.36 4798.34 4816.29 4832.62 4947.18 5012.30 5272.95 5367.00 5568.29 0.636689 0.669871 0.670815 0.565062 -1646.176452 -1646.143270 -1646.142325 -1646.248078 3.546973D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE Cc1cc(n(n1)CCNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4c(noc4c5cc(on5)C)C)C C39675059 RHF 6-31G(d) (6D,10F) C1 496.267228 |X|Y|Z| 61.879715 58.253524 131.580767 77.986777 30 6 7 8 21 7 2 |36.858105| |12.715439|36.858105| |7.272139|13.446245|36.858105| |5.186412|8.630514|13.974977|36.858105| |5.363078|9.019983|8.775724|14.110809|53.358707| |7.800850|14.649078|8.519312|8.528410|19.282525|53.358707| |3.962722|5.500396|5.312286|7.539195|18.036814|10.872214|36.858105| |3.561372|4.590779|4.332785|5.506041|10.577876|8.457350|12.462843|36.858105| |2.861411|3.461915|3.294624|4.004769|6.970228|5.996671|7.771925|13.088577|53.358707| |2.607497|3.008375|2.802231|3.226226|5.408448|5.049878|5.233018|7.740877|19.224926|36.858105| |2.729754|3.073009|2.788481|3.103825|5.182393|5.116446|4.636861|6.788842|11.537712|15.845036|73.516695| |2.178194|2.458401|2.331421|2.651890|4.256184|3.979562|3.970424|4.993582|10.661246|12.497917|14.238645|36.858105| |2.108815|2.406857|2.325801|2.688825|4.266580|3.877461|4.062753|4.846590|10.465650|8.871945|10.449923|17.531760|0.500000| |1.941193|2.153400|2.065194|2.308396|3.576943|3.377956|3.160931|3.939255|7.249850|7.454659|11.267098|12.414366|0.247536|36.858105| |1.738490|1.900686|1.821908|2.012298|3.084479|2.946157|2.676494|3.139131|5.500096|5.150412|8.168026|8.176006|0.195061|13.049484|53.358707| |1.770008|1.932719|1.837250|2.029271|3.145978|3.021741|2.756403|3.122811|5.512542|5.028624|7.805578|8.090119|0.204075|7.866372|17.898600|36.858105| |2.054806|2.262874|2.112180|2.346381|3.753452|3.632824|3.377643|3.918767|7.275673|7.290493|10.893229|12.246628|0.248396|7.867542|11.079534|12.374041|36.858105| |2.090610|2.247465|2.055942|2.228157|3.562222|3.581303|3.074101|3.597738|6.091359|6.199041|11.486388|7.375478|0.152076|6.246778|8.569181|7.517772|12.318761|36.858105| |1.924191|2.027915|1.851037|1.975476|3.114384|3.176526|2.615048|2.901287|4.652438|4.233974|7.768797|4.832377|0.113119|4.327815|6.497501|6.037383|7.455675|12.517180|36.858105| |2.001480|2.112359|1.917415|2.048553|3.255594|3.333123|2.744406|2.915395|4.621274|3.952872|6.967251|4.354991|0.108376|3.638205|5.302106|5.078435|6.469332|7.691132|12.614316|53.358707| |1.869618|1.948858|1.773598|1.876358|2.941765|3.028002|2.431426|2.541188|3.926105|3.269086|5.807312|3.559626|0.090798|3.100103|4.576145|4.248924|4.911976|5.675091|9.142151|25.689389|0.500000| |2.213950|2.328325|2.078166|2.209374|3.563672|3.717563|2.990606|3.155184|4.890116|4.134287|7.464778|4.242957|0.104948|3.466070|4.796289|4.350949|5.822148|7.080648|9.198664|25.666310|0.328092|0.500000| |1.958705|2.109759|1.948025|2.120444|3.366159|3.345858|2.917716|3.037962|4.995948|4.126412|6.738915|4.847065|0.128677|3.841563|5.710442|5.962568|7.457484|6.484203|7.597158|17.243403|0.254852|0.255652|36.858105| |2.133348|2.358814|2.190363|2.442065|3.952349|3.826475|3.601803|3.867904|6.934275|5.876884|8.753542|7.447932|0.198912|5.007921|6.983354|7.407643|12.398530|7.575857|6.488501|10.471752|0.157706|0.196268|12.494893|36.858105| |1.555912|1.683756|1.625509|1.777327|2.674013|2.564758|2.264274|2.601304|4.329494|3.823728|6.334286|5.208051|0.134282|7.533142|19.160268|7.881751|5.273094|4.642733|3.940477|4.424062|0.081235|0.081582|3.426684|3.865286|36.858105| |1.448411|1.557770|1.505016|1.637076|2.449657|2.358721|2.057331|2.302527|3.763708|3.218070|5.350856|4.233495|0.113466|5.288025|11.636517|7.061143|4.598738|4.091143|3.767321|4.324219|0.081351|0.078288|3.389209|3.625526|15.859373|73.516695| |1.507540|1.626801|1.581019|1.720381|2.555794|2.450717|2.130041|2.472641|3.991008|3.465973|5.919802|4.314172|0.111187|6.424223|10.620690|5.041062|4.029156|3.778504|3.213114|3.660152|0.068089|0.069468|2.759687|3.096932|12.771077|14.458146|36.858105| |1.397403|1.508684|1.484118|1.614614|2.361923|2.248235|1.949818|2.226980|3.518839|2.918497|4.940126|3.489788|0.094517|4.723280|7.176157|3.887670|3.209304|2.970010|2.604584|3.084837|0.058207|0.059091|2.354934|2.617395|7.323182|10.881919|13.235013|36.858105| |1.360423|1.460791|1.439646|1.554804|2.256624|2.158254|1.836462|2.101780|3.238749|2.664612|4.620878|3.036768|0.081251|3.993071|5.647467|3.195688|2.779522|2.660664|2.348155|2.787732|0.052925|0.054044|2.090505|2.303667|5.204748|7.982454|8.508513|14.869333|53.358707| |1.427282|1.524692|1.489142|1.599058|2.336122|2.256936|1.893725|2.198257|3.369762|2.841086|5.076485|3.180256|0.082073|4.274009|5.867387|3.274712|2.924103|2.910748|2.538872|2.946893|0.055744|0.057380|2.160197|2.376913|5.225011|7.702427|8.730174|8.977437|19.041097|73.516695| |1.520672|1.628048|1.575269|1.697718|2.515880|2.438256|2.065545|2.423225|3.805994|3.329646|5.963707|3.869505|0.096666|5.573332|7.951265|4.125707|3.601906|3.622452|3.079630|3.463515|0.064736|0.066774|2.524784|2.800650|7.357929|9.807338|14.148175|8.742507|11.818136|25.668076|36.858105| |1.592426|1.687694|1.611794|1.719295|2.566067|2.529293|2.086457|2.467347|3.809723|3.410292|6.455125|3.782965|0.090927|5.154113|7.001457|3.902260|3.632304|3.972871|3.368061|3.669468|0.068549|0.071401|2.571062|2.812321|5.648746|8.018585|7.332511|5.233123|7.311628|14.396667|12.993550|36.858105| |1.552041|1.626757|1.552981|1.636594|2.419280|2.407215|1.927601|2.264352|3.374151|2.936764|5.691529|3.080520|0.075338|3.881460|5.092772|3.051931|2.952658|3.275439|2.869663|3.208251|0.060784|0.063501|2.220033|2.392537|3.978150|6.044134|4.905112|4.068460|6.118889|11.748255|7.366889|13.374195|36.858105| |1.621551|1.682070|1.585118|1.656184|2.466403|2.492538|1.952066|2.288922|3.373203|2.962564|5.936816|3.032549|0.073078|3.638405|4.768085|2.990964|2.995914|3.507233|3.118888|3.429429|0.065148|0.068445|2.302536|2.445429|3.560391|5.531670|4.004369|3.301569|4.727706|8.153876|5.294477|8.797261|14.174213|36.858105| |1.707504|1.777984|1.660920|1.744693|2.635843|2.670952|2.114913|2.490642|3.752349|3.406408|6.911524|3.559990|0.083363|4.265023|5.701782|3.605044|3.654022|4.551609|3.983001|4.152652|0.077878|0.082087|2.725157|2.886963|4.114655|6.322020|4.329999|3.378942|4.586895|7.620781|5.410487|9.031211|8.725910|14.326335|73.516695| |1.684236|1.780068|1.678271|1.788067|2.706925|2.695279|2.215275|2.624563|4.100775|3.799667|7.376676|4.258357|0.098462|5.611557|7.840223|4.534123|4.335684|5.154970|4.283981|4.401250|0.081239|0.084977|2.988455|3.242487|5.796364|8.319803|6.161100|4.328322|5.643213|9.567100|7.927559|14.808005|8.491568|8.656562|24.990535|53.358707| |1.598075|1.632170|1.530814|1.577172|2.333530|2.389731|1.812371|2.096006|3.003454|2.571023|5.193105|2.552480|0.062462|2.906397|3.794817|2.485014|2.540441|2.977659|2.741548|3.101108|0.059769|0.062816|2.059965|2.153651|2.796029|4.483728|3.050790|2.638483|3.790440|6.173167|3.764551|5.220829|7.315076|12.792120|14.083809|7.229318|36.858105| |1.326396|1.436593|1.424482|1.555976|2.260405|2.134484|1.868918|2.088734|3.296440|2.647938|4.383751|3.177460|0.090129|3.993645|6.164608|3.619388|2.950430|2.644668|2.370662|2.894477|0.055018|0.055295|2.264302|2.502572|5.916612|10.068722|7.221582|12.732848|10.694688|9.510200|5.226896|3.743370|3.084924|2.632162|4.827240|4.529056|2.190181|36.858105| |3.721272|5.167219|7.343247|12.718366|10.324095|7.078190|6.128533|4.780372|5.109174|3.003692|4.996506|2.554018|0.073751|2.255068|2.684639|1.973501|2.230252|2.073706|1.839319|2.582269|0.048419|0.055881|1.996779|2.307746|1.756525|2.881541|1.709096|1.626911|2.130856|2.826699|1.672842|1.666587|1.580888|1.577887|2.935984|2.329906|1.492391|1.586299|36.858105| |17.554651|8.896161|6.438610|4.636360|6.247037|8.224055|3.501080|3.079831|3.471827|2.327496|4.272373|1.987901|0.053950|1.776977|2.192302|1.649027|1.894698|1.916357|1.788146|2.553909|0.049116|0.057383|1.846515|1.987242|1.450477|2.417807|1.402384|1.306715|1.729964|2.358132|1.408734|1.467794|1.429958|1.489890|2.785115|2.108299|1.469973|1.248376|3.481931|0.500000| |17.602467|8.950558|5.484110|4.422543|6.731024|10.173986|3.893148|3.586541|3.989968|2.727198|5.163468|2.269292|0.060320|2.011198|2.459028|1.851337|2.172217|2.247265|2.079519|2.956304|0.056338|0.067615|2.092875|2.261937|1.610332|2.665846|1.551909|1.426894|1.886898|2.599558|1.568690|1.657006|1.613772|1.702530|3.212082|2.409478|1.683022|1.348187|3.284097|0.300672|0.500000| |17.555427|8.897067|6.449674|4.636185|6.236277|8.205939|3.503894|3.298139|3.630963|2.463418|4.634198|2.065600|0.055330|1.873456|2.278638|1.685139|1.937132|1.982894|1.821032|2.540329|0.048544|0.056872|1.817926|1.977349|1.508977|2.492341|1.476661|1.373754|1.833405|2.519788|1.500823|1.576294|1.551252|1.620781|3.003891|2.254090|1.609724|1.299421|3.481475|0.302183|0.300685|0.500000| |6.321663|8.507964|17.796700|8.729273|8.071941|7.939162|4.142067|3.538359|3.825071|2.440303|4.328263|2.074651|0.057627|1.868992|2.264081|1.670519|1.891777|1.846698|1.678175|2.357082|0.044847|0.051762|1.756631|1.952039|1.500242|2.480279|1.468170|1.388795|1.842935|2.483320|1.466289|1.497205|1.452127|1.478604|2.732708|2.108085|1.436196|1.337166|6.378634|0.169731|0.131478|0.170172|0.500000| |3.851516|5.057583|4.589670|5.837711|12.639904|10.112679|17.601133|8.867337|9.800203|5.203380|8.180351|4.065781|0.115221|3.139613|3.704493|2.893877|3.632064|3.296069|2.843443|4.197030|0.075399|0.095009|3.310961|4.095370|2.285733|3.727038|2.110858|1.916036|2.438276|3.286182|2.034313|2.064387|1.895913|1.935771|3.775172|3.026148|1.797794|1.840937|4.808790|0.096239|0.109009|0.092486|0.101954|0.500000| |3.405141|4.577131|4.823055|7.119058|12.591870|7.950475|17.586840|8.793954|9.396358|4.661969|7.097809|3.788446|0.112837|3.059431|3.561264|2.687526|3.191455|2.822761|2.424383|3.462684|0.063106|0.075445|2.769649|3.416204|2.232463|3.623610|2.102114|1.951140|2.491720|3.310433|2.015109|2.000282|1.841157|1.841353|3.523388|2.856211|1.702043|1.897294|7.039029|0.086311|0.091174|0.085185|0.109071|0.302203|0.500000| |3.397253|4.368950|4.383409|5.633000|9.435030|7.377185|8.817798|17.553427|12.349633|6.292770|10.212542|4.406972|0.120403|3.746108|4.033298|2.855691|3.421837|3.164429|2.580379|3.466236|0.062547|0.075300|2.643109|3.281989|2.509085|3.931690|2.447618|2.240443|2.913324|3.969183|2.420015|2.443164|2.267793|2.262590|4.287791|3.456228|2.076004|2.099388|5.197112|0.081754|0.092430|0.090163|0.101445|0.173610|0.212592|0.500000| |3.937497|4.929175|4.313929|5.048828|9.748994|9.349736|8.882187|17.685282|12.592868|7.478142|14.013617|4.707308|0.119774|3.802530|4.159264|3.042957|3.881143|3.794968|3.053373|4.137782|0.073489|0.093308|3.046884|3.779678|2.542752|4.003799|2.425720|2.160151|2.797999|3.884776|2.421584|2.531300|2.350344|2.423849|4.714665|3.718877|2.244007|1.999187|4.136236|0.091866|0.113880|0.101446|0.097688|0.211320|0.173674|0.302539|0.500000| |2.608261|3.150724|3.097140|3.821096|6.348522|5.291732|7.034652|9.024588|26.054432|9.438586|10.898095|7.513004|0.246965|5.195327|5.525681|4.098688|5.112382|4.035791|3.179538|4.353413|0.076312|0.091889|3.599690|5.028485|3.217986|5.013635|2.941912|2.640307|3.267912|4.345691|2.737397|2.663248|2.343049|2.306168|4.523848|3.840646|2.046949|2.530182|3.782573|0.065769|0.073245|0.067620|0.074413|0.181545|0.201969|0.208199|0.179650|0.500000| |1.884362|2.105888|2.056164|2.316934|3.526693|3.269209|3.104960|3.859113|6.945057|6.334594|9.445859|8.743003|0.223359|17.602406|12.273542|5.955579|5.691257|4.626751|3.481306|4.152374|0.073890|0.081569|3.264637|4.157446|6.725734|8.618503|6.532684|5.235202|5.995075|8.031105|5.541458|4.739273|3.687536|3.335375|6.581337|6.412907|2.700483|4.472729|2.311861|0.048024|0.053584|0.050785|0.051968|0.083565|0.085516|0.106242|0.100346|0.145226|0.500000| |1.984799|2.178641|2.069073|2.281096|3.533966|3.401642|3.049291|3.875537|6.715785|7.136136|12.721775|8.793503|0.175133|17.648697|12.262336|6.135774|6.594643|6.433480|4.371568|4.820183|0.084349|0.095310|3.530257|4.384732|6.444962|8.291427|6.197187|4.477981|5.456685|8.176850|6.186838|6.392174|4.706827|4.461550|9.537117|9.846719|3.441075|3.620943|2.196875|0.050124|0.057450|0.053627|0.052078|0.083600|0.080256|0.103388|0.108372|0.126262|0.300994|0.500000| |1.713154|1.881998|1.808413|2.011869|3.095108|2.932358|2.727555|3.005982|5.296609|4.496357|6.770059|6.904841|0.208044|6.340176|12.324196|17.512360|8.734288|5.496743|4.784657|6.082237|0.107066|0.107863|5.706661|7.090025|6.642166|11.571168|4.482075|3.708686|4.113746|5.310583|3.607083|3.309505|2.665203|2.582994|5.346672|4.987929|2.188418|3.669855|1.983647|0.044633|0.049412|0.045168|0.045786|0.079673|0.075511|0.076711|0.079497|0.114469|0.150515|0.136047|0.500000| |1.663108|1.791146|1.695805|1.848684|2.844722|2.771826|2.437300|2.713943|4.578026|4.077414|6.698807|5.713336|0.144619|5.825596|12.483578|17.639400|8.577866|7.063555|6.774368|7.340099|0.129889|0.122168|5.988666|6.203826|7.371803|13.605438|4.748642|3.678460|4.162087|5.612445|3.970939|3.845734|3.026938|3.008448|6.529493|6.221875|2.510075|3.421050|1.790375|0.043247|0.048520|0.044077|0.043088|0.071400|0.065727|0.069325|0.074721|0.093284|0.129204|0.141044|0.303558|0.500000| |1.973920|2.109788|1.946085|2.097751|3.299018|3.309235|2.798500|3.329253|5.518602|5.621839|10.933565|6.685294|0.137940|6.942416|9.620799|7.078539|8.739587|17.609759|9.014859|7.630338|0.127050|0.144278|4.874241|5.502216|5.342614|8.014480|4.434178|3.334094|4.084877|6.023752|4.394155|5.080390|4.008003|4.338813|10.752400|9.904491|3.507522|2.859564|1.967762|0.050201|0.058589|0.052671|0.048932|0.081102|0.071984|0.084004|0.097639|0.102202|0.138951|0.222080|0.141001|0.191044|0.500000| |2.352049|2.528191|2.268684|2.448892|3.994398|4.096736|3.440324|4.109921|6.770066|7.045556|14.739583|6.815534|0.141479|5.480738|6.762813|5.501984|8.767146|17.611621|8.916630|9.399730|0.144465|0.206979|5.655209|6.742586|3.823237|5.994579|3.302705|2.674380|3.335830|4.787526|3.261292|3.633278|3.126123|3.409376|7.680245|6.228547|2.982252|2.389341|2.231142|0.059178|0.071131|0.061699|0.056054|0.103220|0.085088|0.097908|0.126027|0.118149|0.118282|0.163947|0.122743|0.140945|0.305655|0.500000| |1.741210|1.834423|1.696190|1.811447|2.813547|2.838208|2.352264|2.586560|4.148538|3.690908|6.589620|4.406877|0.106793|4.177831|6.813339|6.543658|6.637080|8.694684|17.642036|12.426404|0.224014|0.181187|6.962118|5.713153|4.321999|7.699316|3.403045|2.745103|3.324397|4.652765|3.192382|3.422229|2.870775|3.065646|6.907804|5.874524|2.664435|2.513229|1.709780|0.045261|0.051777|0.045994|0.043041|0.070294|0.061656|0.065020|0.074237|0.080798|0.094583|0.114597|0.143477|0.237584|0.212625|0.172893|0.500000| |1.922424|1.993686|1.805182|1.900108|2.980506|3.093104|2.446583|2.710493|4.188957|3.753715|7.220858|4.019940|0.094906|3.736602|5.414764|4.605461|5.448273|8.798908|17.630723|12.352706|0.222719|0.224196|5.581941|4.884751|3.436318|5.842359|2.935262|2.407446|3.016402|4.316576|2.909129|3.287652|2.891814|3.251768|7.449242|5.736837|2.932495|2.174314|1.755199|0.049578|0.058180|0.050791|0.045632|0.073407|0.062524|0.067544|0.080805|0.078650|0.085622|0.109155|0.105344|0.141404|0.213096|0.217333|0.301591|0.500000| |1.767162|1.895334|1.771040|1.922968|2.997914|2.959006|2.568725|2.685897|4.395771|3.626865|5.933977|4.432996|0.120053|3.745425|5.940372|6.485560|6.671969|5.724061|6.976477|12.440634|0.223871|0.181071|17.622145|8.741051|3.677726|6.739799|2.882267|2.461252|2.938628|3.929416|2.589082|2.597223|2.221825|2.281565|4.789651|4.085539|2.026762|2.391806|1.835948|0.046489|0.052053|0.045942|0.044766|0.079090|0.068866|0.066403|0.074200|0.089663|0.089148|0.094535|0.178661|0.198593|0.128497|0.131810|0.210471|0.143537|0.500000| |1.978392|2.125781|1.960534|2.127155|3.370310|3.361966|2.893838|2.898952|4.619047|3.625778|5.939617|4.031422|0.110792|3.233665|4.676558|4.552532|5.445719|4.877266|5.574348|12.359350|0.223321|0.223304|17.625047|8.760812|2.896408|5.130000|2.401337|2.097600|2.560201|3.432605|2.214534|2.248275|1.978201|2.050471|4.231280|3.488653|1.864571|2.041985|1.998662|0.052296|0.058735|0.050587|0.049147|0.092926|0.076651|0.069949|0.080428|0.093302|0.078835|0.083224|0.127060|0.125917|0.107508|0.127212|0.143385|0.126429|0.301204|0.500000| |2.420815|2.706544|2.471515|2.771314|4.630091|4.515685|4.326839|4.573750|8.131158|6.571614|9.793451|6.889393|0.180808|4.539731|5.846536|5.454124|8.810810|6.761232|5.660622|9.405584|0.144500|0.206753|8.903380|17.518794|3.324273|5.471801|2.790481|2.391569|2.921016|3.963676|2.590189|2.640553|2.295832|2.369054|4.921400|4.114851|2.119114|2.275394|2.560711|0.062198|0.071867|0.061529|0.060314|0.143612|0.110132|0.103014|0.125545|0.156066|0.107281|0.114826|0.144268|0.130567|0.138535|0.196134|0.131640|0.127547|0.173132|0.215978|0.500000| |2.036852|2.274169|2.152661|2.429366|3.876514|3.657947|3.569578|3.716234|6.693362|5.218806|7.505726|6.766368|0.213718|4.701009|6.643007|6.906865|8.764784|5.494506|4.873407|7.628692|0.127073|0.143966|8.991537|17.565746|3.770271|6.393365|3.020282|2.617347|3.106230|4.097226|2.674773|2.609018|2.225301|2.233900|4.586325|3.971722|1.970780|2.572732|2.346789|0.053123|0.059179|0.052447|0.053510|0.111756|0.097762|0.089030|0.097053|0.145378|0.114205|0.110282|0.217582|0.156726|0.122856|0.138112|0.128197|0.107565|0.213459|0.212402|0.303926|0.500000| |1.474676|1.543970|1.485766|1.562045|2.284082|2.264151|1.805319|2.103912|3.094935|2.627053|5.020860|2.730246|0.068249|3.383260|4.422232|2.681359|2.584159|2.790963|2.477403|2.841761|0.054216|0.056461|1.989793|2.141662|3.496899|5.417744|4.403224|3.945848|6.308782|12.177060|6.391050|8.484644|17.845019|8.735405|10.506829|7.934272|6.238421|3.019910|1.519666|0.037850|0.042325|0.041148|0.038828|0.049003|0.048223|0.059251|0.060230|0.060222|0.092542|0.109869|0.066564|0.073529|0.091663|0.074674|0.069007|0.069130|0.055402|0.049806|0.057360|0.056062|0.500000| |1.731691|1.759042|1.636008|1.676252|2.490458|2.576015|1.921113|2.235661|3.158145|2.705698|5.603410|2.608463|0.063422|2.900777|3.695909|2.452298|2.579601|3.062873|2.790885|3.182045|0.061021|0.065466|2.095882|2.202637|2.646648|4.226094|2.831040|2.450437|3.476845|5.539944|3.399151|4.555597|5.802793|8.967905|12.524834|6.569304|17.574436|2.061897|1.570481|0.043963|0.050932|0.048632|0.042528|0.052862|0.049637|0.061407|0.067529|0.059045|0.074530|0.096077|0.060011|0.068098|0.098875|0.087762|0.073633|0.083774|0.056517|0.052895|0.061075|0.055617|0.139859|0.500000| |1.524374|1.547496|1.447812|1.486904|2.199950|2.262073|1.706089|1.945386|2.792085|2.375873|4.748112|2.385613|0.058744|2.672572|3.586598|2.400399|2.436238|2.880054|2.748335|3.104302|0.060614|0.062545|2.039395|2.090452|2.662676|4.365829|2.839168|2.463744|3.494748|5.557828|3.403981|4.557448|5.806519|8.968653|12.517691|6.570928|17.574686|2.075118|1.405703|0.039168|0.044745|0.042503|0.037792|0.047407|0.044561|0.053082|0.057760|0.053113|0.068523|0.085967|0.058831|0.068583|0.093300|0.079382|0.074959|0.083051|0.056071|0.051382|0.056870|0.053050|0.140050|0.301298|0.500000| |1.519028|1.550492|1.466032|1.507217|2.207520|2.250470|1.703468|1.959508|2.784220|2.341258|4.658129|2.320490|0.057638|2.645703|3.445074|2.247643|2.276110|2.590248|2.389010|2.760184|0.053412|0.055940|1.862274|1.952227|2.571891|4.147059|2.864806|2.554768|3.759202|6.110328|3.546241|4.662999|6.833580|8.985146|10.251169|6.001189|17.621380|2.128375|1.435456|0.038920|0.044124|0.042740|0.038434|0.046629|0.044719|0.054528|0.057818|0.053114|0.069871|0.085553|0.055801|0.062708|0.083126|0.072038|0.064939|0.070007|0.051053|0.047200|0.053437|0.050225|0.186352|0.300321|0.300380|0.500000| |1.385943|1.514067|1.508578|1.663356|2.418414|2.259698|2.021318|2.258151|3.612920|2.864514|4.629708|3.488777|0.102243|4.332566|6.524614|3.851670|3.146189|2.725949|2.409329|2.982582|0.056257|0.057151|2.377110|2.683597|5.798063|9.554095|6.395795|8.919605|8.303894|8.146856|4.656689|3.471155|2.867311|2.492297|4.622818|4.315777|2.089613|17.557807|1.709032|0.036219|0.039015|0.037593|0.039225|0.055132|0.057559|0.063141|0.059199|0.078488|0.140655|0.104736|0.112025|0.097550|0.080454|0.068653|0.070269|0.060740|0.069378|0.059661|0.067701|0.078032|0.077309|0.055412|0.054816|0.056157|0.500000| |1.258131|1.358887|1.354465|1.473628|2.120610|2.002905|1.734723|1.925414|2.981236|2.357854|3.940812|2.739170|0.077730|3.341775|4.941099|3.005672|2.539814|2.314645|2.096016|2.584672|0.049480|0.049771|2.007783|2.199863|4.470901|7.709847|5.459821|8.981095|10.246622|8.783602|4.462151|3.323573|2.859929|2.434974|4.368341|3.978538|2.061140|17.623926|1.509972|0.032971|0.035392|0.034369|0.035516|0.047230|0.049058|0.054235|0.051236|0.063449|0.103937|0.086319|0.084669|0.079633|0.069159|0.059000|0.061278|0.054058|0.058531|0.050895|0.056329|0.062781|0.079834|0.053841|0.054244|0.056401|0.300494|0.500000| |1.281716|1.382148|1.364883|1.485667|2.163779|2.054081|1.787111|1.975060|3.117035|2.507844|4.160276|3.037099|0.086172|3.706938|6.054590|3.711759|2.937381|2.636419|2.420048|2.959511|0.056703|0.055923|2.324860|2.518116|6.026042|11.651974|6.472833|8.956926|8.255511|8.159855|4.695439|3.515549|2.897963|2.523878|4.692372|4.386145|2.113894|17.596110|1.507998|0.033621|0.036301|0.034777|0.035597|0.049396|0.050291|0.054531|0.052749|0.066361|0.109990|0.093213|0.105872|0.100579|0.078688|0.065370|0.072601|0.061419|0.069427|0.058167|0.062821|0.072081|0.077904|0.055137|0.056415|0.056715|0.301753|0.299472|0.500000| |3.337059|4.466790|5.772567|8.852052|9.072210|6.360266|6.110861|5.267787|5.615688|3.253748|5.355486|2.748749|0.079694|2.448921|2.869752|2.078291|2.338624|2.157532|1.886988|2.614170|0.048767|0.056191|2.025575|2.372364|1.874498|3.048648|1.838235|1.755204|2.302081|3.048860|1.799348|1.781429|1.685743|1.669148|3.095163|2.472240|1.567703|1.707715|17.545665|0.085202|0.083760|0.088748|0.141652|0.128612|0.200167|0.172967|0.121870|0.116753|0.070815|0.066144|0.057968|0.051954|0.057335|0.064229|0.048843|0.049832|0.051972|0.055644|0.072484|0.067149|0.045105|0.045748|0.040765|0.041970|0.051368|0.045164|0.044733|0.500000| |3.344729|4.475805|5.794228|8.862734|9.061162|6.360968|6.032934|4.459596|5.036787|2.941421|4.795917|2.558997|0.075255|2.233773|2.691031|2.002713|2.254350|2.064589|1.844245|2.619954|0.049195|0.056495|2.056996|2.377692|1.758876|2.904405|1.694413|1.615806|2.099999|2.766101|1.641311|1.624223|1.529333|1.523577|2.849888|2.276567|1.434943|1.590815|17.547444|0.089076|0.083859|0.085369|0.142416|0.138193|0.212369|0.128134|0.105673|0.106972|0.063538|0.059633|0.056582|0.050408|0.053993|0.061168|0.047808|0.048543|0.052562|0.057716|0.073205|0.068213|0.040763|0.041719|0.037723|0.038266|0.047830|0.041983|0.042200|0.301091|0.500000| 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