Version2.0 2020-03-04T22:49:48Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 27-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+]1CCc2c(sc-3c2CN([C@@H](c4n3ccc4)c5ccc(cc5)C)C(=O)NCc6ccccc6)C1 C35427402 RHF 6-31G(d) (6D,7F) CC[NH+]1CCc2c(sc-3c2CN([C@@H](c4n3ccc4)c5ccc(cc5)C)C(=O)NCc6ccccc6)C1 C01[X(C30H33N4O1S1)] 201 C1 610 CC[NH+]1CCc2c(C1)sc1c2CN(C(=O)NCc2ccccc2)[C@@H](c2n1ccc2)c1ccc(cc1)C CC[NH+]1CCc2c(C1)sc1c2CN(C(=O)NCc2ccccc2)[C@@H](c2n1ccc2)c1ccc(cc1)C CC[NH+]1CCc2c(C1)sc3n4cccc4[C@H](N(Cc23)C(=O)NCc5ccccc5)c6ccc(C)cc6 InChIKey=TUNZHUPBYOLNQX-MUUNZHRXSA-O InChI=1S/C30H32N4OS/c1-3-32-17-15-24-25-19-34(30(35)31-18-22-8-5-4-6-9-22)28(23-13-11-21(2)12-14-23)26-10-7-16-33(26)29(25)36-27(24)20-32/h4-14,16,28H,3,15,17-20H2,1-2H3,(H,31,35)/p+1/t28-/m1/s1 InChI=1/C30H32N4OS/c1-3-32-17-15-24-25-19-34(30(35)31-18-22-8-5-4-6-9-22)28(23-13-11-21(2)12-14-23)26-10-7-16-33(26)29(25)36-27(24)20-32/h4-14,16,28H,3,15,17-20H2,1-2H3,(H,31,35)/p+1/t28-/m1/s1/fC30H33N4OS/h31-32H/q+1 CC[NH+]1CCc2c(sc-3c2CN([C@@H](c4n3ccc4)c5ccc(cc5)C)C(=O)NCc6ccccc6)C1 C01[X(C30H33N4O1S1)] 201 C01 610 CC[NH+]1CCc2c(C1)sc1c2CN(C(=O)NCc2ccccc2)[C@@H](c2n1ccc2)c1ccc(cc1)C CC[NH]1CCc2c(C1)sc1c2CN(C(=O)NCc2ccccc2)[C@@H](c2n1ccc2)c1ccc(cc1)C CC[NH]1CCc2c(C1)sc3n4cccc4[C@H](N(Cc23)C(=O)NCc5ccccc5)c6ccc(C)cc6 InChIKey=JMYFZNJRUXCECV-MUUNZHRXSA-N InChI=1S/C30H33N4OS/c1-3-32-17-15-24-25-19-34(30(35)31-18-22-8-5-4-6-9-22)28(23-13-11-21(2)12-14-23)26-10-7-16-33(26)29(25)36-27(24)20-32/h4-14,16,28,32H,3,15,17-20H2,1-2H3,(H,31,35)/t28-/m1/s1 InChI=1/C30H33N4OS/c1-3-32-17-15-24-25-19-34(30(35)31-18-22-8-5-4-6-9-22)28(23-13-11-21(2)12-14-23)26-10-7-16-33(26)29(25)36-27(24)20-32/h4-14,16,28,32H,3,15,17-20H2,1-2H3,(H,31,35)/t28-/m1/s1/f/h31H 4066.3672356287 -1845.2313115 1-A 20112.2036 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6.8106 7.0219 6.9850 7.1421 7.1011 7.1321 7.0325 7.2830 7.2017 7.1980 7.2302 7.2310 7.3579 7.2987 7.3646 7.3783 7.4456 7.4533 7.5766 7.6391 7.8052 8.6251 9.4753 0.7618 2.0209 0.5294 1.9655 1.0487 0.2067 0.3606 0.2740 0.8624 0.3619 3.5672 2.7987 3.7817 0.4014 0.0886 0.3598 0.7129 0.4052 0.2020 1.4111 1.0970 1.7091 2.6555 15.3017 1.0485 6.0694 1.7431 5.8308 2.1320 1.4325 0.7795 15.4059 0.3409 1.5371 14.5729 3.4188 1.7867 0.5244 0.0261 1.8397 0.2460 37.2132 22.3801 4.5585 31.2302 0.1622 16.0183 0.3764 10.6773 30.6428 3.9310 9.5245 0.4974 6.1396 10.2130 4.4934 5.1661 0.1668 11.1245 31.7122 26.8133 24.7725 3.4454 15.6774 28.5208 29.9281 36.0040 10.8565 6.1050 19.5324 7.8991 7.8112 5.5570 8.7295 0.0719 20.2193 28.0268 10.6449 0.1311 2.3696 6.8631 25.5506 5.7023 7.5301 1.0288 26.4098 1.8830 0.0313 0.4142 3.0580 13.4531 6.1492 1.2774 21.2770 0.7550 1.3787 1.5252 0.3507 0.6816 10.9027 1.6177 1.2008 31.4930 2.8799 1.4950 32.7265 22.5565 4.7944 41.4975 23.9714 9.2520 0.5401 21.8596 23.6380 4.2574 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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 6 6 7 1 6 6 6 6 16 6 6 6 7 6 1 6 7 6 6 6 6 6 6 6 6 6 6 6 8 7 6 6 6 6 6 6 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 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 14.00307 12.00000 1.00783 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 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 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 15801.5291 25047.1935 30978.1490 0.99975 0.01837 0.01240 -0.01839 0.99983 0.00203 -0.01236 -0.00226 0.99992 1 0.00548 0.00346 0.00280 0.11421 0.07205 0.05826 17.20 27.63 28.44 41.89 46.83 48.51 58.30 69.74 80.13 97.73 106.22 116.36 144.37 154.04 191.19 215.76 243.53 250.08 273.73 294.20 304.31 344.72 356.58 365.38 374.35 417.05 436.07 449.71 463.90 486.34 500.15 505.03 536.81 569.16 594.59 607.34 615.24 655.71 660.02 666.45 721.02 758.91 771.95 775.86 778.15 803.74 857.89 878.86 890.26 928.80 949.88 968.22 979.94 1002.84 1010.48 1042.11 1084.05 1110.23 1122.68 1124.77 1185.29 1187.53 1209.25 1218.79 1224.83 1233.56 1258.42 1286.56 1296.57 1316.80 1328.71 1367.92 1371.03 1379.87 1381.54 1392.09 1422.80 1427.77 1471.30 1481.70 1496.87 1509.93 1525.63 1529.13 1553.17 1568.29 1569.44 1572.95 1584.08 1585.80 1586.66 1607.52 1608.36 1615.74 1622.51 1624.69 1629.30 1663.90 1674.78 1684.36 1701.74 1727.95 1735.86 1744.04 1768.48 1780.42 1782.79 1830.88 1839.17 1857.36 1866.83 1872.31 1880.47 1891.24 1895.83 1908.26 1912.07 1918.84 1928.84 1965.02 1973.47 1982.53 1994.61 2037.24 2051.87 2085.62 2096.23 2105.29 2112.77 2130.68 2134.76 2144.77 2155.73 2181.50 2202.89 2222.10 2241.24 2247.01 2254.92 2256.93 2272.47 2279.10 2280.24 2292.92 2300.28 2332.23 2344.96 2348.98 2352.37 2356.13 2356.80 2365.74 2372.55 2391.80 2393.64 2395.69 2401.95 2407.03 2435.41 2437.79 2472.07 2543.23 2559.32 2570.64 2605.89 2609.50 2622.77 2769.27 4581.06 4611.88 4618.29 4638.76 4663.79 4677.13 4692.49 4703.90 4713.09 4713.87 4729.51 4740.81 4741.14 4755.66 4764.08 4765.17 4771.21 4800.29 4816.34 4821.57 4827.37 4828.78 4830.94 4845.45 4860.17 4867.86 4879.19 4895.93 4933.92 4949.90 4976.93 5301.64 5558.25 0.626076 0.656563 0.657507 0.559266 -1844.605235 -1844.574749 -1844.573805 -1844.672045 3.294986D-04 MUNgauss RevisionA2.0 retrievium 04-Mar-2020 DUDE CC[NH+]1CCc2c(sc-3c2CN([C@@H](c4n3ccc4)c5ccc(cc5)C)C(=O)NCc6ccccc6)C1 C35427402 RHF 6-31G(d) (6D,10F) C1 497.237509 |X|Y|Z| 105.031568 78.731931 53.680240 76.283112 32 6 7 16 27 4 1 |36.858105| |12.522772|36.858105| |7.555231|12.640607|53.358707| |7.371565|9.288290|25.686217|0.500000| |5.985611|7.570621|17.209245|0.258360|36.858105| |4.310461|4.957974|10.408776|0.205086|12.505821|36.858105| |3.663656|4.429903|9.213754|0.182859|7.647276|12.654150|36.858105| |3.846494|5.020189|10.603540|0.198537|6.858223|7.654857|14.158125|36.858105| |2.917250|3.594067|6.352406|0.125683|4.237212|4.742196|7.414450|10.989753|388.023441| |2.621738|3.062421|5.406693|0.110266|4.011949|5.089727|8.280861|7.768721|78.018861|36.858105| |2.885583|3.327650|6.125236|0.125877|4.927196|7.271357|13.232636|8.206240|52.421143|14.151800|36.858105| |2.535810|2.788091|4.852454|0.101262|4.061255|5.914203|7.223219|5.053406|33.563295|7.624047|12.613792|36.858105| |2.228464|2.449723|4.094556|0.082890|3.455080|4.590244|5.280488|4.094254|28.686388|6.076235|7.683671|13.097687|53.358707| |2.073896|2.319959|3.810961|0.075870|3.104372|3.849124|4.667673|3.975177|30.629696|6.452086|6.561735|7.520274|17.637096|36.858105| |1.870460|2.063656|3.308915|0.066019|2.686498|3.232557|3.716364|3.247929|24.837355|4.778961|4.827830|5.693597|12.721336|17.666550|0.500000| |2.007657|2.251185|3.689315|0.074690|2.859079|3.478035|4.424615|4.007374|34.645183|7.843768|6.408934|6.545251|10.516213|12.619309|0.254572|36.858105| |2.203778|2.509290|4.199055|0.085898|3.133975|3.817587|5.261115|5.003894|49.494443|13.805338|7.920890|6.516714|8.280694|7.488141|0.156892|13.723193|53.358707| |1.997340|2.247998|3.648074|0.075476|2.640613|3.082380|4.000475|4.028893|40.541958|7.669662|5.240114|4.626408|5.946786|5.152665|0.122448|8.450885|18.787767|36.858105| |1.768959|1.962499|3.117773|0.064164|2.299122|2.657614|3.274078|3.215703|29.569236|5.358025|4.183002|4.058643|5.655105|5.095608|0.131256|8.454936|11.734175|14.125661|36.858105| |1.773803|1.964215|3.134761|0.063872|2.385739|2.804491|3.410813|3.210017|27.894559|5.400311|4.499069|4.674109|7.253073|7.350031|0.198427|14.094114|11.744120|8.496840|13.300005|36.858105| |2.183480|2.499908|4.084804|0.078588|3.370548|3.994153|4.825624|4.288868|32.319987|5.922196|5.940424|5.654485|10.354434|12.409259|0.250464|7.457034|8.126571|4.339925|4.128461|5.248187|36.858105| |2.294684|2.616219|4.237822|0.080038|3.686581|4.291451|4.718008|4.077106|27.665413|4.667919|5.186287|5.094160|8.955661|7.497726|0.178890|4.987766|5.926569|3.365247|3.193910|3.851779|13.701660|36.858105| |2.298122|2.649481|4.152793|0.076569|3.580308|3.828245|4.066632|3.762043|25.223000|3.840872|4.096311|3.829402|6.081804|4.986846|0.126236|3.845864|4.829829|2.889163|2.739088|3.161184|7.890770|13.765274|36.858105| |2.187271|2.556650|3.927631|0.072184|3.205257|3.308929|3.654074|3.625349|25.780015|3.691118|3.669528|3.298682|5.059222|4.373482|0.111672|3.675820|4.734333|2.916381|2.765415|3.115387|6.749226|7.876273|13.701867|36.858105| |2.091011|2.449040|3.808338|0.071165|2.995273|3.172702|3.712554|3.779746|29.493872|4.239711|3.921940|3.447116|5.298203|4.973895|0.124935|4.415792|5.674484|3.492812|3.316019|3.742361|7.886676|6.921336|8.019774|13.730503|36.858105| |2.087968|2.422181|3.872873|0.073915|3.055731|3.420950|4.188238|4.100093|33.650534|5.449187|4.847010|4.284655|6.893876|7.464735|0.175448|6.484805|7.759801|4.457129|4.243596|5.089311|13.718873|8.004648|6.924591|7.879143|13.739404|36.858105| |2.092008|2.433341|3.582301|0.065474|2.869107|2.821323|3.003001|3.060541|21.458574|2.935121|2.917131|2.646116|3.928850|3.247767|0.085244|2.861447|3.770474|2.421413|2.309150|2.525947|4.396194|5.004349|7.534024|12.606599|7.541291|5.004473|36.858105| |2.033883|2.182582|3.540008|0.071890|3.010535|3.840750|4.018749|3.232422|22.243249|4.229951|5.081306|7.705315|18.811242|7.839295|0.220627|5.377719|5.878591|3.439345|3.430354|4.337054|5.594219|5.493978|3.964498|3.259347|3.291219|4.022280|2.622858|36.858105| |1.855622|1.990497|3.157489|0.063409|2.663279|3.235082|3.362638|2.824750|19.778649|3.585593|4.053033|5.327821|11.499029|7.006778|0.236427|4.794706|5.115936|3.098990|3.193947|4.101783|5.458100|5.511730|4.060110|3.331932|3.332881|4.007514|2.691805|15.842148|73.516695| |2.055795|2.155128|3.478642|0.071991|2.966252|3.812011|3.767796|3.010083|20.111156|3.693179|4.532385|6.935147|11.108564|5.212458|0.142432|4.184259|4.974261|3.031952|2.983991|3.548997|4.103515|4.160842|3.250030|2.725095|2.715128|3.182433|2.276171|13.915300|15.050255|53.358707| |1.833341|1.891848|2.967471|0.061307|2.501479|3.046297|2.947367|2.456264|16.534305|2.883821|3.363951|4.527511|7.056044|3.935829|0.113874|3.293276|3.944148|2.513178|2.529849|2.959867|3.286999|3.398115|2.795499|2.378073|2.343594|2.665772|2.042126|7.837204|12.474883|17.731655|36.858105| |1.839317|1.858218|2.886774|0.060464|2.417547|2.907181|2.729957|2.293016|15.193849|2.577056|3.005951|3.884875|5.444389|3.134729|0.087876|2.760310|3.456536|2.249451|2.232703|2.513189|2.709353|2.806697|2.394290|2.071522|2.034368|2.269473|1.817026|5.131468|8.081806|10.650551|12.600580|36.858105| |1.692229|1.699951|2.616103|0.055272|2.134823|2.523543|2.418286|2.076446|14.012342|2.352932|2.668406|3.354637|4.596602|2.760091|0.077802|2.535479|3.207065|2.143504|2.148117|2.375866|2.373928|2.398428|2.076532|1.838592|1.829644|2.038457|1.628200|4.090634|6.586238|7.621988|7.555767|13.734025|36.858105| |1.658818|1.640897|2.494697|0.053078|2.016528|2.338234|2.210530|1.922916|12.878616|2.109972|2.376195|2.872739|3.815692|2.345590|0.065297|2.194436|2.842291|1.925006|1.911722|2.067301|2.067876|2.097814|1.853988|1.658112|1.644743|1.807797|1.488350|3.225707|5.239531|5.656117|5.011264|7.896391|13.720485|36.858105| |1.757256|1.714320|2.589498|0.055154|2.112486|2.424723|2.227185|1.933947|12.690475|2.046290|2.330143|2.762510|3.613986|2.219073|0.061013|2.059226|2.701783|1.818357|1.782087|1.915902|2.002419|2.067197|1.848119|1.645711|1.613852|1.753473|1.487853|3.003399|4.871671|5.201501|4.428873|6.829129|7.936131|13.776743|36.858105| |1.924790|1.877739|2.852124|0.060333|2.386421|2.760232|2.463727|2.105306|13.545825|2.188086|2.544644|3.036515|3.983870|2.399252|0.065490|2.173308|2.844845|1.880891|1.828571|1.984679|2.190996|2.311364|2.061239|1.806111|1.748649|1.893441|1.627546|3.349763|5.390314|5.917967|5.017306|7.899114|6.888291|7.950044|13.720184|36.858105| |1.976867|1.966951|3.036342|0.063592|2.588062|3.078053|2.760052|2.310645|14.877868|2.461471|2.911962|3.620800|4.894398|2.846271|0.078061|2.501597|3.209221|2.082412|2.031459|2.251779|2.563519|2.730991|2.378996|2.045380|1.974684|2.162174|1.814496|4.346331|6.883485|8.284380|7.554437|13.680855|7.964832|6.886209|7.935080|13.779658|36.858105| |4.988255|7.665143|17.275035|0.260005|7.717298|6.351324|7.540427|12.728239|47.889144|4.852826|5.061193|3.707034|4.303936|3.078168|0.073017|3.064230|4.934504|3.133615|2.604736|2.579647|3.374627|3.363623|3.307609|3.255864|3.269848|3.323718|2.921956|2.647714|4.222458|3.430236|2.130801|2.028838|1.849658|1.743036|1.776803|1.934053|2.081974|36.858105| |17.590772|8.956735|7.543190|0.147781|4.606704|3.492768|3.073735|3.261168|18.418367|2.318513|2.502033|2.223743|2.708494|1.874885|0.047416|1.821128|2.702527|1.821761|1.627427|1.627382|1.980535|2.078897|2.108115|2.031033|1.939393|1.916161|1.977389|1.832396|3.005975|2.512969|1.667073|1.673049|1.549016|1.524373|1.613256|1.755764|1.793172|4.162416|0.500000| |17.556259|8.787382|9.325086|0.217580|5.282714|4.171013|3.618794|3.780640|20.719037|2.635498|2.892744|2.554131|3.007063|2.043522|0.051187|2.004541|3.020703|2.029409|1.789911|1.779290|2.111075|2.184219|2.150661|2.048534|1.988311|2.014399|1.939968|2.014745|3.244989|2.799306|1.832144|1.854742|1.722261|1.698918|1.798495|1.952121|1.987253|4.725178|0.302723|0.500000| |17.602733|8.721346|9.096885|0.179280|6.414164|4.557867|3.643356|3.635630|19.580061|2.560959|2.883078|2.593675|3.117706|2.101334|0.052841|2.000805|2.944618|1.943090|1.735899|1.761788|2.210230|2.363899|2.363619|2.207727|2.081909|2.081561|2.107472|2.116595|3.431071|2.939494|1.934294|1.953195|1.780992|1.749863|1.874619|2.080243|2.132282|4.437835|0.303184|0.300058|0.500000| |8.859709|17.628927|12.416809|0.214852|5.608085|4.162331|4.018160|4.807595|25.918017|2.983145|3.122846|2.596982|3.118605|2.207650|0.054687|2.185992|3.357026|2.250691|1.955060|1.927843|2.370324|2.428572|2.462341|2.432290|2.374562|2.343882|2.331058|2.034089|3.313801|2.718834|1.759655|1.724780|1.594271|1.540337|1.596792|1.728451|1.805098|7.566769|0.216577|0.210831|0.172478|0.500000| |8.767281|17.623860|12.402665|0.182219|7.259949|4.649771|4.143153|4.633056|24.208996|2.922584|3.164617|2.676074|3.284255|2.309779|0.057349|2.207867|3.296937|2.159477|1.904890|1.925974|2.547160|2.719291|2.833483|2.744898|2.569858|2.483073|2.664964|2.162645|3.548001|2.875878|1.865445|1.817014|1.652106|1.587818|1.658855|1.826651|1.925615|6.753302|0.211099|0.172120|0.209248|0.301973|0.500000| |5.128106|6.803877|12.445881|0.182388|17.620472|8.796613|6.702525|6.417873|29.725577|3.884865|4.603472|3.796015|4.632099|3.157278|0.076143|2.856990|4.195155|2.588447|2.274304|2.381936|3.598274|4.071057|4.155890|3.713747|3.350828|3.304581|3.351862|2.969454|4.773485|3.873229|2.420493|2.297506|2.022032|1.896742|1.975494|2.230743|2.441025|7.323487|0.117410|0.121802|0.150512|0.145846|0.212568|0.500000| |6.879063|7.253450|12.311644|0.216283|17.668228|8.796417|5.558522|4.994323|24.442588|3.328914|4.021479|3.553907|4.188004|2.737452|0.067278|2.517019|3.684660|2.327943|2.062091|2.141192|2.921047|3.225225|3.158343|2.818734|2.611681|2.648259|2.584124|2.783679|4.415918|3.831631|2.431304|2.402111|2.121666|2.032399|2.166229|2.469169|2.632773|5.627959|0.143032|0.162660|0.237570|0.144670|0.194060|0.300909|0.500000| |3.694692|4.119325|7.623700|0.146486|8.988196|17.573024|8.898358|5.841740|29.264545|4.655700|6.648126|6.178719|7.005495|4.148658|0.097562|3.528867|4.999689|2.939174|2.603414|2.829296|4.360909|5.012269|4.357163|3.557994|3.308876|3.568727|2.989610|4.426386|6.596700|5.944528|3.446709|3.224166|2.711461|2.474590|2.575169|3.003558|3.455482|4.930574|0.086028|0.097718|0.111547|0.097222|0.112911|0.220286|0.207584|0.500000| |4.311941|4.576587|9.011818|0.204699|8.833201|17.520838|8.857677|6.069095|29.524018|4.546746|6.318185|5.705712|5.793780|3.480945|0.082884|3.226075|4.817931|2.937785|2.548346|2.660125|3.433369|3.599977|3.198936|2.805958|2.728533|2.964340|2.434972|3.689463|5.460121|5.265673|3.113748|3.081230|2.696707|2.534348|2.656961|3.024557|3.310281|5.271166|0.096306|0.121799|0.128123|0.108229|0.114619|0.173465|0.219090|0.303870|0.500000| |2.701545|2.906362|5.068411|0.106812|4.447707|6.877929|6.978408|4.725786|28.897743|5.674236|8.973138|17.636918|12.549000|5.630262|0.129009|4.802078|6.529750|3.695080|3.306504|3.716570|4.710143|4.680304|3.643042|3.074788|3.090398|3.651281|2.525363|7.272995|8.979787|10.588396|4.965631|4.434373|3.685468|3.172348|3.124731|3.544328|4.303982|3.649466|0.065176|0.075617|0.078307|0.073708|0.077256|0.112095|0.110925|0.211665|0.196764|0.500000| |2.360945|2.556576|4.358403|0.093217|3.481230|4.771149|5.732966|4.411736|31.175266|6.948395|9.018435|17.502933|12.315812|6.293011|0.142358|6.441815|9.016366|5.019871|4.418876|4.924983|4.602780|4.047708|3.189056|2.846519|3.027416|3.732891|2.339465|6.514660|8.378531|8.701238|4.376890|3.870678|3.499903|2.998191|2.815892|2.997910|3.497396|3.334614|0.057931|0.067149|0.066474|0.067202|0.067377|0.089485|0.086514|0.131914|0.135940|0.302981|0.500000| |2.046751|2.308140|3.727224|0.077933|2.615836|2.993858|3.876931|4.088473|42.712194|6.832983|4.766356|4.060213|5.009624|4.108525|0.099076|5.838713|12.140516|17.805543|8.643387|5.777360|3.659235|2.969653|2.622994|2.671121|3.144819|3.806434|2.271056|2.975557|4.771993|3.682482|2.274269|2.081257|1.998403|1.822976|1.734850|1.787551|1.951502|3.241886|0.051948|0.058257|0.054670|0.065145|0.060927|0.070599|0.064123|0.077514|0.080059|0.093572|0.122505|0.500000| |1.629284|1.792465|2.800244|0.057789|2.048299|2.324708|2.789006|2.773455|24.912597|4.182654|3.410768|3.341876|4.638978|4.020665|0.107794|5.797873|7.988436|8.827085|17.796599|8.494625|3.395874|2.730924|2.400522|2.444359|2.892298|3.537633|2.091149|2.942576|4.959645|3.568038|2.284993|2.044128|1.995783|1.792852|1.666821|1.693796|1.861285|2.318240|0.041948|0.045912|0.044324|0.049901|0.048331|0.056271|0.051596|0.063205|0.062509|0.078338|0.101267|0.197501|0.500000| |1.636037|1.794769|2.823029|0.057362|2.166960|2.516442|2.951274|2.766337|23.077680|4.219111|3.741437|4.031510|6.542448|6.449813|0.202791|8.830505|7.991144|5.815772|8.498614|17.784858|4.751522|3.626364|3.008711|2.954635|3.487839|4.581416|2.426088|4.243470|7.535856|4.706283|2.983447|2.500260|2.377116|2.054047|1.887993|1.946797|2.214105|2.285119|0.041938|0.045458|0.045380|0.048804|0.049186|0.060415|0.054711|0.071590|0.066627|0.092608|0.116695|0.122820|0.195325|0.500000| |2.309266|2.576537|4.179346|0.079963|3.752298|4.521361|4.644019|3.816545|24.909193|4.292157|5.099081|5.524528|10.123903|6.975699|0.173481|4.579035|5.424055|3.115612|2.976545|3.588676|8.913980|17.752283|8.963705|5.634336|4.980545|5.673616|4.094594|6.807325|12.009931|6.886892|4.053043|3.263168|2.702019|2.333214|2.308892|2.630248|3.192971|3.181077|0.057827|0.061254|0.067103|0.065612|0.073899|0.112323|0.093269|0.156092|0.107138|0.149209|0.119028|0.076850|0.071274|0.095132|0.500000| |2.319315|2.637938|4.046845|0.074288|3.570738|3.698926|3.690333|3.393720|21.957536|3.285729|3.587766|3.434900|5.319101|4.082109|0.106142|3.228844|4.107438|2.512923|2.391043|2.719842|5.634311|8.954978|17.687819|8.912084|5.675924|4.976764|6.984695|3.647028|6.682716|4.223152|2.736414|2.375031|2.045838|1.839745|1.855049|2.089877|2.405711|3.104392|0.059375|0.059688|0.067208|0.067257|0.079516|0.116822|0.089892|0.119515|0.086559|0.094357|0.080232|0.064282|0.059042|0.072708|0.217607|0.500000| |1.977116|2.314589|3.525684|0.066126|2.692228|2.789971|3.248786|3.424435|27.617622|3.764011|3.388087|2.973221|4.442686|4.071567|0.104756|3.876221|5.130071|3.326872|3.179850|3.455638|5.635092|4.975800|5.674361|8.918448|17.698709|8.951460|6.985311|2.811381|5.060891|3.233774|2.083294|1.833415|1.670297|1.514016|1.484727|1.595312|1.780362|3.055106|0.051457|0.052332|0.054174|0.063352|0.067432|0.082987|0.065817|0.079204|0.067742|0.074506|0.074529|0.084847|0.078738|0.089974|0.107971|0.124347|0.500000| |1.971462|2.273718|3.613638|0.070054|2.768147|3.096465|3.844198|3.862386|34.355799|5.569260|4.568347|4.041463|6.306518|6.907022|0.167205|7.370172|8.862146|5.342532|5.204454|6.164925|8.898177|5.666038|4.979903|5.638289|8.966863|17.726539|4.097043|3.698790|6.502958|4.057154|2.515781|2.159630|1.973323|1.754562|1.688044|1.799570|2.036797|3.130001|0.050455|0.053391|0.054131|0.062001|0.063931|0.081352|0.067119|0.087544|0.076341|0.094123|0.102377|0.122891|0.118359|0.149009|0.124248|0.107948|0.218070|0.500000| |1.879272|2.143544|3.129096|0.058029|2.500021|2.486557|2.620979|2.636465|18.718775|2.614313|2.596648|2.421026|3.648935|3.024194|0.081814|2.665022|3.443295|2.244641|2.184238|2.404795|3.959591|4.450143|6.264989|8.853284|6.266083|4.449089|17.540190|2.496054|4.653192|2.950336|1.977612|1.754428|1.577491|1.440792|1.435789|1.565063|1.743809|2.511075|0.049632|0.048720|0.052780|0.057203|0.064622|0.079356|0.063622|0.073565|0.060717|0.064314|0.060140|0.058263|0.055491|0.065360|0.104236|0.168454|0.168068|0.104181|0.500000| |2.080253|2.444041|3.555164|0.064895|2.756614|2.672683|2.891861|3.050097|21.907296|2.879883|2.790228|2.483865|3.608876|2.994822|0.078090|2.743521|3.701099|2.420499|2.292107|2.452443|3.932706|4.188159|5.630178|8.828135|7.069609|4.688590|17.567634|2.386059|4.301802|2.848639|1.877675|1.687331|1.527483|1.404565|1.402650|1.523115|1.682620|2.965617|0.054994|0.053646|0.057437|0.066147|0.074344|0.088837|0.068721|0.076705|0.064465|0.065454|0.061817|0.063853|0.058046|0.064952|0.096686|0.142790|0.211786|0.111747|0.302381|0.500000| |2.225635|2.587407|3.753553|0.067808|3.059714|2.923946|3.006647|3.043753|20.432750|2.778240|2.834767|2.579353|3.767471|2.996377|0.078305|2.626456|3.497598|2.243531|2.123878|2.309328|3.932412|4.688286|7.061530|8.825102|5.634271|4.188377|17.561534|2.544192|4.603274|3.058334|2.025628|1.820753|1.623718|1.492739|1.505925|1.658971|1.843331|2.987168|0.058585|0.056602|0.062814|0.067961|0.080305|0.101649|0.077323|0.086744|0.069753|0.069789|0.063069|0.058961|0.053560|0.061522|0.111592|0.211450|0.142884|0.096755|0.302486|0.301377|0.500000| |2.113123|2.204474|3.588997|0.075649|3.008643|3.933649|3.937471|3.124680|20.912259|3.894914|4.827055|7.757804|10.232875|4.880494|0.128532|4.224759|5.215582|3.204301|3.107316|3.599179|3.798181|3.724981|2.966806|2.547548|2.575633|3.026339|2.143314|9.384399|11.014216|26.051864|9.169010|7.447287|5.877789|4.429503|4.011132|4.418755|5.844533|2.593596|0.052461|0.059459|0.061332|0.056972|0.059222|0.078457|0.079202|0.120320|0.114977|0.247436|0.221863|0.080052|0.075774|0.095313|0.120335|0.078196|0.063309|0.080252|0.056369|0.055448|0.058746|0.500000| |1.683192|1.742154|2.712686|0.056062|2.241299|2.684957|2.670636|2.274508|15.720328|2.740037|3.087542|4.062428|6.461984|3.830938|0.115285|3.291079|3.866787|2.513170|2.593612|3.062262|3.135168|3.142007|2.604614|2.260691|2.262466|2.588580|1.947608|6.927656|12.127268|12.311056|17.573626|8.876593|7.251793|4.754165|3.975449|4.189830|5.605071|1.975189|0.042794|0.046840|0.048897|0.045451|0.047712|0.060585|0.060198|0.082504|0.075802|0.116924|0.113238|0.062776|0.065689|0.087930|0.100725|0.070073|0.056347|0.068966|0.052826|0.050002|0.053138|0.204765|0.500000| |1.812817|1.873618|2.913258|0.059434|2.485401|2.969254|2.831961|2.377848|15.887870|2.717414|3.154830|4.065408|6.539372|3.793954|0.111241|3.087804|3.687257|2.344222|2.359922|2.768281|3.316551|3.568475|2.965491|2.480372|2.396091|2.681931|2.138719|7.187585|13.125531|12.554487|17.642810|8.863839|5.755419|4.245274|3.971341|4.668012|6.945003|2.086998|0.045973|0.049821|0.053423|0.048213|0.051882|0.067861|0.067440|0.095243|0.082630|0.123559|0.105063|0.059049|0.059350|0.078057|0.121207|0.082140|0.058866|0.069208|0.057923|0.054024|0.059256|0.181739|0.304143|0.500000| |1.596907|1.616990|2.487227|0.052457|2.006241|2.363844|2.322502|2.014342|13.875830|2.346417|2.608932|3.278302|4.584252|2.810619|0.080570|2.620698|3.271347|2.212046|2.255071|2.506222|2.374638|2.353657|2.030736|1.814712|1.826489|2.050836|1.603000|4.082072|6.694130|7.241878|7.005333|8.918063|17.699793|8.921597|5.649602|4.958634|5.652960|1.784204|0.040742|0.045164|0.046294|0.042436|0.043678|0.053110|0.054825|0.069958|0.069369|0.096381|0.097059|0.056923|0.058546|0.070551|0.072743|0.055042|0.046481|0.055711|0.043307|0.041887|0.044055|0.155508|0.221506|0.147289|0.500000| |1.548711|1.530422|2.310993|0.049274|1.841052|2.110595|2.021716|1.783783|12.088009|1.964191|2.174195|2.581781|3.424573|2.153080|0.060142|2.051646|2.669802|1.836522|1.834634|1.962873|1.900384|1.907862|1.698527|1.536694|1.534037|1.682978|1.386599|2.837814|4.665837|4.775091|4.090241|5.631783|8.913625|17.719483|8.919737|5.647986|4.959056|1.624393|0.039744|0.044229|0.045078|0.040191|0.041062|0.048188|0.051431|0.061247|0.063347|0.077511|0.075850|0.048559|0.048272|0.054365|0.058141|0.046659|0.039503|0.045748|0.037375|0.036539|0.038516|0.104425|0.113107|0.098053|0.215689|0.500000| |1.698924|1.640618|2.449377|0.052328|1.975820|2.226764|2.044452|1.799470|11.813828|1.874777|2.112145|2.442604|3.173232|1.985386|0.054456|1.864172|2.470552|1.679412|1.642631|1.745971|1.811954|1.867247|1.690505|1.519208|1.490054|1.606729|1.385882|2.578055|4.221891|4.302644|3.543257|4.929360|5.642680|8.918554|17.719322|8.899331|5.644495|1.673807|0.043575|0.048500|0.050306|0.042580|0.044007|0.051263|0.056692|0.064858|0.067914|0.075918|0.069310|0.044879|0.042958|0.047736|0.057278|0.047239|0.038321|0.043110|0.037174|0.036462|0.039043|0.092238|0.090500|0.090431|0.124206|0.214827|0.500000| |1.996475|1.920525|2.883667|0.060911|2.423975|2.743581|2.397497|2.063368|13.106922|2.078264|2.414659|2.798980|3.644167|2.226581|0.060370|2.019796|2.671719|1.768689|1.708050|1.840279|2.077134|2.215255|2.007675|1.761869|1.691482|1.809808|1.603298|2.988874|4.855238|5.055625|4.092818|5.629188|4.959588|5.650970|8.905233|17.712080|8.928076|1.926651|0.050690|0.056096|0.060604|0.048821|0.051987|0.062809|0.071004|0.082778|0.083753|0.090852|0.075771|0.047015|0.044021|0.049959|0.069691|0.057128|0.042973|0.047601|0.042757|0.041713|0.045758|0.103989|0.096394|0.110429|0.107615|0.124142|0.214653|0.500000| |2.104105|2.101762|3.252504|0.067309|2.846395|3.387465|2.955655|2.448745|15.496300|2.551043|3.062245|3.767022|5.162050|2.982978|0.081183|2.557500|3.277828|2.098061|2.032998|2.266633|2.752118|3.023054|2.636779|2.224109|2.112415|2.295531|1.969109|4.580251|7.297929|8.365804|7.023604|8.911472|5.657734|4.957320|5.643584|8.928081|17.697162|2.212660|0.052835|0.058073|0.063691|0.053044|0.057657|0.075135|0.080897|0.109433|0.099534|0.126847|0.097025|0.054522|0.051426|0.061679|0.100547|0.075155|0.052473|0.059197|0.052404|0.050289|0.056026|0.154361|0.141724|0.203717|0.124226|0.107601|0.124122|0.215481|0.500000| |4.807413|7.037153|12.380978|0.229836|5.631286|4.899571|5.749095|8.850834|44.948800|4.373574|4.322623|3.272871|3.815230|2.757364|0.066312|2.829862|4.615438|3.057356|2.529720|2.443043|2.953080|2.881737|2.832717|2.843564|2.914122|2.967626|2.599546|2.376285|3.812789|3.104003|1.952128|1.874626|1.733823|1.646361|1.673118|1.798724|1.913910|17.609218|0.114907|0.132406|0.113656|0.229009|0.163028|0.146203|0.126626|0.109451|0.122508|0.088745|0.084739|0.090557|0.063377|0.060127|0.075852|0.073951|0.077550|0.079801|0.063000|0.074400|0.073101|0.065739|0.050752|0.052812|0.046686|0.042973|0.044085|0.049750|0.055826|0.500000| 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