Version2.1 2020-12-18T10:50:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC(C)(C)C1CCC(=N[n+]2c(csc2NC3CCCCC3)c4ccc(cc4)[N+](=O)[O-])CC1 C35535491 RHF 6-31G(d) (6D,7F) CCC(C)(C)C1CCC(=N[n+]2c(csc2NC3CCCCC3)c4ccc(cc4)[N+](=O)[O-])CC1 C01[X(C26H37N4O2S1)] 204 C1 573 CCC(C1CCC(=N[n+]2c(scc2c2ccc(cc2)[N+](=O)[O-])NC2CCCCC2)CC1)(C)C CCC(C1CCC(=N[n+]2c(scc2c2ccc(cc2)[N+](=O)[O-])NC2CCCCC2)CC1)(C)C CCC(C)(C)C1CCC(CC1)=N[n+]2c(NC3CCCCC3)scc2c4ccc(cc4)[N+]([O-])=O InChIKey=AEYMAESFHUPRQU-UHFFFAOYSA-O InChI=1S/C26H36N4O2S/c1-4-26(2,3)20-12-14-22(15-13-20)28-29-24(19-10-16-23(17-11-19)30(31)32)18-33-25(29)27-21-8-6-5-7-9-21/h10-11,16-18,20-21H,4-9,12-15H2,1-3H3/p+1 InChI=1/C26H36N4O2S/c1-4-26(2,3)20-12-14-22(15-13-20)28-29-24(19-10-16-23(17-11-19)30(31)32)18-33-25(29)27-21-8-6-5-7-9-21/h10-11,16-18,20-21H,4-9,12-15H2,1-3H3/p+1/fC26H37N4O2S/h27H/q+1 CCC(C)(C)C1CCC(=N[n+]2c(csc2NC3CCCCC3)c4ccc(cc4)[N+](=O)[O-])CC1 C01[X(C26H37N4O2S1)] 204 C01 573 CCC(C1CCC(=N[n+]2c(scc2c2ccc(cc2)[N+](=O)[O-])NC2CCCCC2)CC1)(C)C CCC([C@@H]1CC/C(=N\[N]2[C](SC=C2[C]2[CH][CH][C]([CH][CH]2)[N]([O])[O])[NH]C2CCCCC2)/CC1)(C)C CCC(C)(C)C1CCC(CC1)=NN2[C](NC3CCCCC3)SC=C2[C]4[CH][CH][C]([CH][CH]4)N([O])[O] InChIKey=ASVSREQBPUBXKU-SFMCTIQFSA-N InChI=1S/C26H37N4O2S/c1-4-26(2,3)20-12-14-22(15-13-20)28-29-24(19-10-16-23(17-11-19)30(31)32)18-33-25(29)27-21-8-6-5-7-9-21/h10-11,16-18,20-21,27H,4-9,12-15H2,1-3H3/t20- InChI=1/C26H37N4O2S/c1-4-26(2,3)20-12-14-22(15-13-20)28-29-24(19-10-16-23(17-11-19)30(31)32)18-33-25(29)27-21-8-6-5-7-9-21/h10-11,16-18,20-21,27H,4-9,12-15H2,1-3H3/t20- 3632.0958680742 -1770.8190764 1-A 20957.7686 126 447 573 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0.8548 0.7708 0.7244 0.5661 0.5938 0.5149 0.4654 0.5517 0.5565 0.2912 0.5333 0.5010 0.2198 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 6 6 6 6 6 6 6 6 6 7 7 6 6 16 6 7 6 6 6 6 6 6 6 6 6 6 6 6 7 8 8 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 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 1.00783 1.00783 1.00783 16102.5318 23179.8441 35261.3880 0.99963 0.02702 -0.00386 -0.02704 0.99961 -0.00662 0.00368 0.00672 0.99997 1 0.00538 0.00374 0.00246 0.11208 0.07786 0.05118 15.77 27.30 35.43 35.65 47.65 55.02 72.51 80.45 86.61 105.84 112.95 133.44 156.81 181.50 198.51 249.29 252.54 279.29 294.52 322.92 335.80 353.69 358.18 385.15 387.18 404.80 443.23 468.03 484.49 494.13 514.01 532.48 539.81 558.75 576.27 587.58 602.06 661.87 665.91 670.13 683.17 691.89 703.95 727.67 740.76 744.56 783.21 817.85 835.61 861.00 886.03 902.59 968.89 981.85 1008.96 1054.77 1079.00 1115.49 1117.64 1154.85 1173.74 1197.61 1216.95 1227.87 1234.42 1237.44 1244.65 1266.08 1279.88 1298.30 1310.01 1363.30 1381.64 1388.22 1391.65 1400.54 1407.96 1425.34 1450.10 1455.47 1461.74 1474.71 1499.51 1536.31 1547.19 1576.92 1578.52 1591.96 1600.51 1605.30 1608.91 1611.85 1622.67 1647.07 1652.63 1669.47 1684.15 1691.65 1705.40 1721.20 1735.26 1764.02 1771.61 1794.78 1836.92 1847.35 1876.36 1879.72 1885.68 1898.56 1909.88 1917.27 1932.50 1953.24 1979.72 1996.22 2019.84 2024.09 2031.13 2050.28 2065.05 2081.64 2089.70 2094.99 2106.28 2115.14 2131.47 2157.35 2163.22 2169.82 2183.04 2184.38 2194.37 2203.34 2205.32 2208.27 2232.23 2237.15 2249.35 2250.95 2261.33 2280.74 2315.76 2326.95 2345.40 2347.23 2348.73 2353.44 2355.04 2358.62 2358.88 2365.09 2366.03 2366.99 2374.75 2375.70 2386.56 2387.74 2395.23 2406.62 2414.90 2526.69 2545.73 2595.25 2634.27 2666.35 2708.34 4556.84 4583.61 4585.79 4598.59 4602.01 4606.54 4612.72 4613.37 4614.47 4622.88 4624.70 4630.05 4634.13 4641.19 4646.73 4651.87 4670.60 4685.31 4691.56 4693.32 4698.72 4703.74 4708.78 4715.59 4724.76 4739.17 4739.95 4744.71 4747.11 4760.30 4763.49 4881.25 4898.75 4952.10 4952.38 4989.30 5495.06 0.649898 0.680225 0.681169 0.584268 -1770.169178 -1770.138851 -1770.137907 -1770.234809 3.250109D-04 MUNgauss RevisionA2.0 retrievium 18-Dec-2020 DUDE CCC(C)(C)C1CCC(=N[n+]2c(csc2NC3CCCCC3)c4ccc(cc4)[N+](=O)[O-])CC1 C35535491 RHF 6-31G(d) (6D,10F) C1 469.263723 |X|Y|Z| 89.930236 107.432523 36.448185 70.616438 25 6 7 16 21 3 1 |36.858105| |12.432704|36.858105| |7.236040|12.264957|36.858105| |6.365367|7.547785|12.372385|36.858105| |5.920889|7.533844|12.378271|7.616702|36.858105| |4.828475|7.524393|12.151215|7.542050|7.401300|36.858105| |3.647381|4.832969|7.289929|6.188057|6.150093|12.371631|36.858105| |2.941522|3.750105|4.797929|4.301779|4.182430|7.463390|12.393474|36.858105| |2.803736|3.601806|4.261481|3.578650|3.848183|6.429240|7.583525|12.682020|36.858105| |2.385775|2.938006|3.385526|2.939789|3.222785|4.563595|5.427844|8.071922|14.965231|53.358707| |2.220529|2.696523|2.958626|2.545874|2.858768|3.786099|4.081251|5.208985|8.357837|18.409490|53.358707| |2.065007|2.473361|2.618406|2.292530|2.476266|3.274325|3.368934|4.208831|6.046853|10.339840|18.362500|36.858105| |1.897064|2.228602|2.315045|2.031898|2.235036|2.778980|2.812880|3.313142|4.412404|7.181795|11.438402|14.352977|36.858105| 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|17.566040|8.701864|6.586292|5.849799|6.492744|4.361919|3.476946|2.779688|2.649419|3.118047|2.907258|1.966767|1.821282|13.000357|2.054614|2.874876|1.965695|1.868255|1.718487|1.817035|1.907718|2.121184|1.933942|1.921915|1.830527|1.762438|1.768556|1.850261|2.245322|2.876453|2.814848|2.971026|3.877018|0.500000| |17.587898|8.712760|6.394002|6.868978|5.063173|4.455115|3.497233|2.846179|2.644823|3.075576|2.836440|1.950212|1.784763|12.420707|1.958891|2.692879|1.812951|1.725873|1.576240|1.634786|1.709589|1.906970|1.970751|1.979660|1.926058|1.871077|1.860793|1.908725|2.417091|3.107608|3.038320|2.964879|3.731161|0.301661|0.500000| |17.559206|8.856673|5.381240|4.737508|4.634370|4.071966|3.138991|2.638754|2.581869|3.028247|2.874447|1.994107|1.851849|12.947660|2.006375|2.736334|1.857452|1.736463|1.596643|1.678681|1.788537|1.993724|1.990886|2.029466|1.951295|1.852599|1.820037|1.882976|2.374133|3.084310|2.942869|3.009262|3.821028|0.303021|0.303189|0.500000| |8.955814|17.548649|8.805969|5.513848|7.121821|6.714586|4.478618|3.600132|3.657156|4.102833|3.865760|2.598949|2.369046|16.682148|2.676392|3.652837|2.409434|2.194250|1.964140|2.068716|2.248174|2.616827|2.532355|2.535521|2.347890|2.198435|2.190813|2.340598|2.718612|3.474303|3.335111|4.589585|6.993753|0.208192|0.173815|0.221572|0.500000| |8.922229|17.498795|8.805907|6.656596|5.515721|7.296921|4.646864|3.812018|3.676348|4.035712|3.711691|2.556494|2.282862|15.488566|2.480430|3.317588|2.153846|1.987301|1.770499|1.821094|1.948562|2.251469|2.609079|2.651990|2.539473|2.410463|2.372917|2.463665|3.027452|3.878277|3.718704|4.563716|6.255824|0.173003|0.214349|0.213828|0.304112|0.500000| |7.165779|6.865296|8.760676|17.600132|6.979108|5.469957|4.679053|3.477779|3.005325|3.465940|3.069154|2.048721|1.845601|12.980664|2.114917|2.975969|1.985192|1.933966|1.742607|1.785545|1.827302|2.053242|2.057091|1.998706|1.930915|1.920074|1.968512|2.039629|2.459280|3.091656|3.142220|3.160053|4.000120|0.195542|0.232423|0.142350|0.142522|0.161311|0.500000| |4.737336|5.462244|8.692291|17.587661|6.889510|6.817498|6.908981|4.639373|3.655844|4.139204|3.505448|2.289472|2.019969|14.165347|2.378307|3.375384|2.201185|2.169415|1.911789|1.920184|1.944166|2.218516|2.304608|2.181539|2.097776|2.124198|2.233258|2.333500|2.690672|3.317880|3.471550|3.610646|4.454192|0.127814|0.139189|0.104349|0.122710|0.138006|0.305006|0.500000| |5.887625|6.892424|8.719342|17.530750|5.499785|6.882097|5.554665|4.210608|3.497099|3.894684|3.384207|2.284500|2.014190|13.767037|2.256786|3.100336|2.014571|1.939583|1.721283|1.734599|1.789421|2.039885|2.361169|2.305475|2.258886|2.268055|2.317343|2.366594|2.908986|3.635831|3.714451|3.709549|4.561901|0.139842|0.189524|0.128194|0.139622|0.197425|0.302149|0.301473|0.500000| |5.253745|6.800431|8.687820|5.491897|17.544261|6.717263|5.547976|4.044554|3.988035|4.597774|4.186678|2.637000|2.404185|17.896323|3.024578|4.443235|2.969566|2.775583|2.450757|2.620128|2.784386|3.296460|2.459811|2.333846|2.120708|2.034016|2.109952|2.318485|2.489077|3.113529|3.109947|4.398985|6.584502|0.158701|0.120603|0.122543|0.211359|0.142263|0.141348|0.140331|0.122143|0.500000| |4.556426|5.459039|8.705344|6.957310|17.561624|6.666331|6.803031|4.458316|3.925777|4.554919|3.939901|2.465748|2.215327|16.329552|2.805071|4.186075|2.780427|2.735030|2.396581|2.483794|2.520438|2.926885|2.344363|2.185498|2.021075|1.993208|2.106291|2.292883|2.462866|3.046141|3.131497|3.913437|5.256858|0.137004|0.115698|0.103078|0.142827|0.122783|0.173752|0.206881|0.140884|0.301114|0.500000| |6.607265|6.919626|8.774101|6.931642|17.585401|5.417435|4.646522|3.407063|3.160460|3.707776|3.357383|2.179707|1.997377|14.616023|2.402443|3.488551|2.376988|2.297899|2.080571|2.204044|2.275558|2.572134|2.093679|2.011163|1.879529|1.829616|1.887029|2.019545|2.291392|2.881048|2.894407|3.375473|4.579101|0.232360|0.155492|0.139962|0.178760|0.139691|0.209074|0.169872|0.141324|0.303217|0.304193|0.500000| |4.671313|6.987287|8.916307|7.186631|5.486369|17.473922|8.941741|6.982501|5.897787|5.765732|4.837594|3.210648|2.704227|17.967830|3.054576|4.063854|2.503927|2.322698|1.995463|1.991322|2.104547|2.501506|3.349119|3.227875|3.057111|3.007311|3.095371|3.270840|3.655572|4.489587|4.538250|6.947175|8.950788|0.112125|0.125449|0.111872|0.164228|0.223287|0.144847|0.175043|0.216987|0.138329|0.139340|0.123417|0.500000| |3.562271|4.466676|6.728455|7.013401|5.652004|8.731381|17.627402|8.952275|5.566619|5.962659|4.626779|2.901682|2.463489|17.114767|3.026026|4.300565|2.664491|2.619671|2.214211|2.162238|2.189999|2.581253|2.917948|2.644369|2.495497|2.567547|2.808309|3.022059|3.151303|3.782510|4.075869|4.834115|5.518060|0.094798|0.098494|0.084184|0.110362|0.119885|0.143644|0.252819|0.174973|0.132932|0.181254|0.125526|0.211848|0.500000| |3.463843|4.444763|6.566679|5.386224|6.784180|8.784223|17.533871|8.867273|6.799233|7.310648|5.599189|3.283795|2.800737|20.316535|3.785905|5.669497|3.425313|3.326294|2.718885|2.676776|2.731499|3.352357|3.098163|2.748221|2.487714|2.488364|2.729894|3.082212|2.979452|3.593227|3.791567|5.703502|6.919819|0.095204|0.090500|0.083171|0.119406|0.113267|0.120908|0.168705|0.127821|0.177065|0.232061|0.138328|0.174126|0.304402|0.500000| |2.900522|3.661044|4.492185|4.243828|3.718737|6.757445|8.823070|17.510054|9.080651|8.676193|6.185527|3.989062|3.138361|20.206771|3.617031|4.727244|2.767814|2.614689|2.169932|2.069521|2.145812|2.573462|4.357347|3.780049|3.569916|3.808079|4.381388|4.777558|4.430706|5.094046|5.679086|6.745649|5.670295|0.074671|0.079494|0.072789|0.095472|0.107820|0.095011|0.124783|0.122461|0.098282|0.106958|0.086692|0.207393|0.216513|0.173828|0.500000| |2.586871|3.163779|3.982688|3.739009|3.683544|5.445731|8.734729|17.607359|8.971977|10.667896|6.756199|3.968648|3.173600|21.639206|4.117594|5.746836|3.282569|3.218770|2.572868|2.389266|2.418431|2.931280|3.956605|3.267939|2.987664|3.166155|3.763707|4.365176|3.696108|4.268201|4.810623|5.520998|4.871885|0.069100|0.070113|0.064813|0.084739|0.088061|0.086649|0.115761|0.100697|0.098885|0.112959|0.085516|0.141667|0.213500|0.214210|0.302229|0.500000| |1.769433|2.050833|2.097761|1.862421|2.016633|2.471262|2.469602|2.860065|3.632321|5.639897|7.851057|8.860593|17.817788|54.903406|5.443792|5.426058|3.406141|2.780183|2.409699|2.279682|2.590591|3.067674|6.631770|6.117951|4.404865|3.732951|3.818788|4.781178|4.014610|4.939256|4.672423|3.694280|2.936279|0.047097|0.046434|0.048386|0.060387|0.058727|0.047351|0.051208|0.051645|0.059881|0.055251|0.050660|0.067740|0.061078|0.067803|0.076962|0.076234|0.500000| |2.244277|2.678661|3.092315|2.659447|3.260362|3.749057|4.405010|4.962851|6.239271|11.178491|10.467350|4.936844|4.371136|37.779431|9.722878|25.936672|8.917034|7.387386|4.687509|4.139643|4.367812|6.297888|3.849679|3.135830|2.638081|2.579636|2.921645|3.641742|2.961570|3.542865|3.721389|4.849113|4.320644|0.061992|0.058213|0.058150|0.078251|0.071629|0.066163|0.077070|0.069083|0.098966|0.096796|0.077393|0.091189|0.102396|0.141731|0.110045|0.144285|0.097660|0.500000| |1.791034|2.045636|2.209408|1.941679|2.341908|2.490615|2.665472|2.863644|3.415209|5.548262|6.605402|4.011221|4.355195|49.423202|7.276829|12.516644|17.558126|8.918821|6.859288|5.705161|6.833709|8.848312|3.076783|2.653988|2.241383|2.139575|2.334417|2.810144|2.503886|3.061944|3.125631|3.138802|2.875292|0.049861|0.046425|0.047774|0.060752|0.055007|0.050071|0.054999|0.051158|0.071677|0.067088|0.058668|0.063171|0.065757|0.081219|0.070212|0.081177|0.102431|0.181145|0.500000| |1.738903|1.970081|2.206505|1.997977|2.365015|2.475986|2.820752|3.039982|3.357083|5.511326|5.603865|3.317643|3.267591|29.459881|5.156530|9.697612|8.843680|17.554333|8.787571|5.478196|4.832894|5.490973|2.744042|2.329705|2.039171|2.025352|2.272532|2.694477|2.406886|2.904013|3.077752|2.866827|2.680126|0.048748|0.045738|0.045620|0.056942|0.052686|0.051427|0.058254|0.052256|0.070128|0.070564|0.059215|0.062588|0.071377|0.087955|0.073319|0.091746|0.078536|0.193416|0.216457|0.500000| |1.977150|2.250659|2.572384|2.289017|2.876426|2.841682|3.266347|3.321034|3.594872|5.558225|5.381869|3.106477|2.987331|26.318471|4.813013|9.746340|8.876359|17.488999|8.842813|6.780061|5.668257|6.807498|2.607282|2.255068|1.980901|1.953801|2.162626|2.532206|2.334410|2.834930|2.975680|3.110390|3.065170|0.056165|0.051512|0.051327|0.065431|0.058924|0.058991|0.067050|0.058558|0.086710|0.087565|0.071308|0.069625|0.081702|0.107422|0.077920|0.098648|0.071727|0.219728|0.174630|0.302186|0.500000| |1.564726|1.733016|1.879242|1.700305|2.039331|2.030588|2.196605|2.273998|2.503558|3.858124|4.116583|2.627267|2.745210|25.445274|3.756598|6.257431|6.797750|8.852842|17.513006|8.839666|6.767785|5.644568|2.205956|1.960632|1.731652|1.689186|1.833433|2.110677|2.041234|2.510251|2.592999|2.302289|2.219383|0.044269|0.040936|0.041643|0.050732|0.046116|0.044678|0.048717|0.044496|0.061246|0.059465|0.052433|0.051692|0.056218|0.067543|0.056511|0.065902|0.068788|0.115461|0.202006|0.214711|0.173722|0.500000| |1.608104|1.770775|1.955627|1.788697|2.162124|2.086015|2.304335|2.336700|2.481780|3.755601|3.795810|2.385184|2.399966|21.013384|3.309189|5.652666|5.514663|8.867070|17.569989|8.805347|5.489992|4.840693|2.055064|1.827032|1.635355|1.614542|1.760917|2.005786|1.967252|2.412955|2.520247|2.247575|2.218069|0.045905|0.042240|0.042372|0.051325|0.046685|0.047168|0.051930|0.046341|0.064239|0.064432|0.055763|0.052665|0.059739|0.072181|0.057577|0.068760|0.060066|0.113490|0.140691|0.212201|0.215535|0.303975|0.500000| |1.624387|1.768744|1.898603|1.707970|2.126437|1.977771|2.087533|2.063348|2.229061|3.260346|3.405384|2.196375|2.269928|20.175274|2.980387|4.859030|4.849198|5.488031|8.834494|17.565532|8.830275|5.490868|1.889540|1.727709|1.542665|1.493084|1.589843|1.793851|1.826731|2.272719|2.314322|2.128140|2.151567|0.046755|0.042137|0.043345|0.052267|0.046271|0.045624|0.048552|0.044152|0.064740|0.061589|0.055739|0.049838|0.053726|0.064872|0.051434|0.058535|0.057655|0.093341|0.127835|0.123116|0.139302|0.215235|0.211260|0.500000| |1.869433|2.057563|2.258581|2.006918|2.604783|2.347751|2.514165|2.430435|2.605654|3.770566|3.825603|2.383660|2.393630|21.049672|3.336780|5.747892|5.654300|6.756211|8.846673|17.509036|8.848746|6.771170|2.047300|1.855819|1.651845|1.603190|1.717206|1.948787|1.952373|2.418246|2.474953|2.461393|2.545542|0.054214|0.048215|0.049249|0.060878|0.053097|0.053370|0.057456|0.051105|0.080260|0.076788|0.067456|0.057937|0.064149|0.080584|0.059357|0.068995|0.059688|0.115139|0.131654|0.138858|0.199072|0.173639|0.214819|0.303688|0.500000| |1.715268|1.904562|2.008021|1.765577|2.195109|2.146629|2.215405|2.241555|2.547305|3.786223|4.224693|2.742703|2.965280|28.828763|3.934638|6.226350|6.801472|5.647331|6.771759|8.840317|17.507341|8.842911|2.263795|2.070242|1.801964|1.707858|1.806369|2.076072|2.055543|2.563643|2.567435|2.489187|2.446195|0.048622|0.044098|0.046237|0.057294|0.050372|0.046617|0.049452|0.046100|0.068152|0.062024|0.056620|0.054273|0.055683|0.067817|0.055938|0.062335|0.074639|0.108863|0.201330|0.126548|0.131135|0.198606|0.139057|0.215096|0.173653|0.500000| |1.902128|2.099909|2.208534|1.916188|2.492053|2.300731|2.338078|2.279176|2.549579|3.647225|3.931229|2.525846|2.642386|24.132997|3.505674|5.609308|5.510504|4.834290|5.489825|8.805585|17.567620|8.858679|2.130392|1.974064|1.732669|1.640251|1.721774|1.957291|1.987154|2.489636|2.481636|2.546418|2.620899|0.054712|0.048350|0.051186|0.063942|0.054519|0.051029|0.053365|0.049365|0.079099|0.069965|0.064782|0.057271|0.058680|0.072670|0.056575|0.062554|0.066507|0.103724|0.140181|0.106565|0.127009|0.139032|0.123108|0.211249|0.214792|0.303921|0.500000| |2.305167|2.663952|2.931560|2.454896|3.365485|3.184679|3.331038|3.225964|3.727709|5.354770|5.626241|3.298314|3.270680|30.023387|5.198060|9.638603|8.891576|6.819275|5.681441|6.789047|8.825388|17.513285|2.702274|2.423032|2.086029|1.982233|2.119234|2.473931|2.355402|2.910981|2.937792|3.615788|3.752188|0.065812|0.058181|0.060606|0.081410|0.068524|0.063642|0.069023|0.062334|0.110202|0.096374|0.082927|0.076265|0.080176|0.108655|0.076498|0.087962|0.078275|0.183039|0.174143|0.140070|0.202089|0.131248|0.127363|0.139352|0.199568|0.173454|0.214557|0.500000| |2.133319|2.462069|2.596458|2.184648|2.825464|2.865908|2.889536|2.921325|3.535643|5.189694|6.067222|3.727029|3.965903|40.471533|6.003286|9.486472|8.815518|5.485110|4.830711|5.482461|8.792883|17.538101|2.929837|2.658532|2.236904|2.076373|2.190042|2.579764|2.443316|3.040041|3.008222|3.585892|3.508424|0.059826|0.053893|0.057317|0.076070|0.064926|0.056657|0.060418|0.056804|0.091222|0.078241|0.070543|0.070888|0.069731|0.089078|0.071377|0.078492|0.094658|0.154545|0.213598|0.123306|0.139827|0.126274|0.106581|0.123133|0.139164|0.214179|0.212566|0.302834|0.500000| |2.096830|2.485901|2.467390|2.179039|2.244075|2.988885|2.816985|3.280241|4.161881|5.631286|6.755262|7.108630|6.443275|29.998455|4.037661|4.366641|2.681468|2.281209|1.983382|1.927279|2.153018|2.550731|8.893589|17.738825|8.948571|5.686304|4.942226|5.628527|5.668935|7.182542|6.056952|4.805148|3.598562|0.054187|0.055209|0.057799|0.072635|0.074347|0.054652|0.058575|0.062125|0.065682|0.060011|0.056086|0.086182|0.069355|0.073484|0.093570|0.082345|0.187079|0.084895|0.074948|0.063390|0.061906|0.054777|0.050538|0.048879|0.052232|0.059702|0.057087|0.069140|0.077958|0.500000| |1.943762|2.244681|2.211423|2.044737|1.964987|2.613822|2.472765|2.855265|3.248903|4.261100|4.521427|4.121450|3.697272|19.834220|2.784107|3.236295|2.047116|1.829113|1.618840|1.568469|1.700995|1.950103|5.628101|8.880564|17.787611|8.942032|5.629384|4.940229|9.789819|14.250503|8.845598|3.560662|2.882142|0.049675|0.052560|0.053760|0.063262|0.068808|0.051542|0.054958|0.060033|0.055755|0.052726|0.049933|0.078980|0.063450|0.062925|0.086489|0.072610|0.107849|0.065153|0.056821|0.051412|0.050310|0.044616|0.042152|0.040317|0.042942|0.046982|0.045468|0.053708|0.057779|0.214378|0.500000| |1.799188|2.074830|2.219040|2.144202|1.999787|2.692534|2.874982|3.683200|3.816779|5.373103|4.997317|4.105734|3.355033|19.182929|2.973283|3.577483|2.202441|2.069872|1.782487|1.656838|1.724268|1.979784|5.631566|4.946256|5.631771|8.936552|17.787679|8.894169|9.788072|8.844487|14.253713|3.395605|2.734676|0.046905|0.049595|0.047882|0.056626|0.061649|0.053148|0.060770|0.062521|0.055260|0.056244|0.050208|0.080383|0.076273|0.072436|0.116340|0.102301|0.089536|0.075516|0.060362|0.060660|0.057552|0.048764|0.047355|0.042272|0.045626|0.047146|0.045003|0.054984|0.055942|0.107439|0.124338|0.500000| 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|3.183180|4.245445|4.478281|3.687462|3.666790|6.724294|5.646680|6.749675|9.087541|8.345210|7.504933|5.280355|4.070749|24.643714|4.211332|5.043574|2.933418|2.569507|2.162190|2.124827|2.320155|2.848708|5.782542|5.592090|4.779128|4.344771|4.405907|5.014581|4.751571|5.741594|5.565409|17.524672|8.817629|0.079718|0.083021|0.083499|0.120257|0.131746|0.086149|0.097288|0.106001|0.105050|0.096251|0.085962|0.206027|0.126170|0.131593|0.197680|0.139499|0.099151|0.108373|0.075641|0.069956|0.074126|0.057115|0.055745|0.052805|0.059979|0.061085|0.062020|0.083331|0.083831|0.147026|0.116460|0.104472|0.124413|0.500000| 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