Version2.4 2021-05-29T11:54:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 11-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)c1cccc(c1)[N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](S3)C(=O)N4CCCC4 C65021395 RHF 6-31G(d) (6D,7F) CCOC(=O)c1cccc(c1)[N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](S3)C(=O)N4CCCC4 C01[X(C22H22N3O6S2)] 159 C1 547 CCOC(=O)c1cccc(c1)[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](S2)C(=O)N1CCCC1 CCOC(=O)c1cccc(c1)[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](S2)C(=O)N1CCCC1 CCOC(=O)c1cccc([N-][S](=O)(=O)c2ccc3S[C@@H](C(=O)Nc3c2)C(=O)N4CCCC4)c1 InChIKey=WLLYMDYBMHKODE-IBGZPJMESA-N InChI=1S/C22H22N3O6S2/c1-2-31-22(28)14-6-5-7-15(12-14)24-33(29,30)16-8-9-18-17(13-16)23-20(26)19(32-18)21(27)25-10-3-4-11-25/h5-9,12-13,19H,2-4,10-11H2,1H3,(H,23,26)/q-1/t19-/m0/s1 InChI=1/C22H22N3O6S2/c1-2-31-22(28)14-6-5-7-15(12-14)24-33(29,30)16-8-9-18-17(13-16)23-20(26)19(32-18)21(27)25-10-3-4-11-25/h5-9,12-13,19H,2-4,10-11H2,1H3,(H,23,26)/q-1/t19-/m0/s1/f/h23H CCOC(=O)c1cccc(c1)[N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](S3)C(=O)N4CCCC4 C01[X(C22H22N3O6S2)] 159 C01 547 CCOC(=O)c1cccc(c1)[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](S2)C(=O)N1CCCC1 CCOC(=O)[C]1[CH][CH][CH][C]([CH]1)[N][S]([O])([O])[C]1[CH][CH][C]2[C]([CH]1)NC(=O)[C@H](S2)C(=O)N1CCCC1 CCOC(=O)[C]1[CH][CH][CH][C]([CH]1)[N][S]([O])([O])[C]2[CH][CH][C]3S[C@@H](C(=O)N[C]3[CH]2)C(=O)N4CCCC4 InChIKey=JOHDCHMNDLRGGE-IBGZPJMESA-N InChI=1S/C22H22N3O6S2/c1-2-31-22(28)14-6-5-7-15(12-14)24-33(29,30)16-8-9-18-17(13-16)23-20(26)19(32-18)21(27)25-10-3-4-11-25/h5-9,12-13,19H,2-4,10-11H2,1H3,(H,23,26)/t19-/m0/s1 InChI=1/C22H22N3O6S2/c1-2-31-22(28)14-6-5-7-15(12-14)24-33(29,30)16-8-9-18-17(13-16)23-20(26)19(32-18)21(27)25-10-3-4-11-25/h5-9,12-13,19H,2-4,10-11H2,1H3,(H,23,26)/t19-/m0/s1/f/h23H 3596.7182494478 -2253.4807271 1-A 27376.3684 128 419 547 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56.6410 121.6960 7.4368 14.6524 32.5834 89.7201 19.5561 2.2792 0.1029 16.0899 12.4101 8.7975 3.1136 68.6013 8.8943 53.2689 6.8836 6.9307 12.2627 19.6461 5.1189 27.8611 4.3917 11.7272 7.3343 1.7266 0.7471 349.8974 52.6036 4.7092 17.6351 33.5461 239.7931 155.4154 94.0134 262.9628 45.8692 40.5924 5.6517 98.7090 11.6589 5.1910 4.5941 16.0795 50.4233 252.9805 29.7363 23.4452 22.8316 19.9840 44.9757 22.8752 118.5222 22.3180 0.5070 1110.7886 785.7109 0.2006 143.7373 99.1415 19.9501 12.1235 14.5221 7.4405 526.4517 18.1654 214.4740 2.3660 2.8395 156.1122 2.1207 1.6735 138.7761 3.9684 0.8869 2.8018 3.4140 175.9491 18.6658 137.5052 14.0147 392.7221 772.3001 309.0618 36.3536 34.9116 41.3978 46.7015 10.1180 13.8637 31.8509 46.4519 70.9574 2.0462 68.3603 76.5585 24.9242 8.2103 48.5144 12.2182 11.3851 4.6623 15.1287 2.4425 1.8133 56.7168 1.5647 2.9313 2.2063 0.0704 1.2158 0.6966 2.4343 1.1437 1.6931 0.0512 1.8950 0.5071 0.6189 1.5184 0.3278 1.4119 1.7702 2.0216 0.3899 2.6429 1.4893 1.4172 4.4772 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0.8194 0.8568 0.5677 0.7800 0.7993 0.8474 0.4454 0.4929 0.8228 0.7268 0.6596 0.5756 0.2590 0.1072 0.4424 0.4428 0.7934 0.2785 0.2525 0.4014 0.4264 0.7516 0.8565 0.8371 0.8571 0.6565 0.4310 0.5832 0.5574 0.6392 0.3859 0.2962 0.4026 0.3489 0.3204 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 6 6 8 6 8 6 6 6 6 6 6 7 16 8 8 6 6 6 6 6 6 7 6 8 6 1 16 6 8 7 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 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 31.97207 12.00000 15.99491 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 9641.0240 41630.1187 48290.0399 0.99999 -0.00375 0.00219 0.00375 0.99999 -0.00378 -0.00217 0.00378 0.99999 1 0.00898 0.00208 0.00179 0.18719 0.04335 0.03737 10.06 18.33 22.89 35.10 44.81 63.24 73.07 84.32 121.11 131.11 142.50 147.06 150.61 169.52 193.57 215.40 246.69 267.43 269.94 288.68 302.64 321.37 343.77 358.97 388.78 412.79 412.94 448.82 475.30 501.54 530.32 578.88 604.51 612.39 617.13 675.12 695.47 730.79 749.61 773.04 788.14 795.64 847.13 856.25 864.46 891.77 900.36 913.79 989.61 1010.59 1042.69 1074.43 1080.29 1084.35 1100.05 1150.18 1164.92 1208.54 1214.90 1231.48 1264.41 1289.77 1318.20 1332.08 1349.76 1365.76 1375.06 1376.48 1416.21 1421.75 1424.38 1446.57 1456.75 1483.07 1484.50 1513.85 1529.96 1545.56 1561.73 1565.06 1575.04 1583.75 1641.13 1658.49 1679.23 1719.15 1742.84 1758.77 1780.51 1796.09 1805.13 1809.00 1822.02 1831.54 1870.71 1873.54 1894.27 1904.73 1929.19 1938.69 1953.06 1980.69 2003.65 2010.92 2017.47 2025.81 2028.27 2047.02 2070.24 2102.20 2104.59 2145.22 2148.68 2180.03 2181.10 2202.99 2216.03 2270.72 2276.12 2302.35 2346.49 2355.82 2361.81 2365.55 2371.71 2379.89 2402.87 2407.75 2410.96 2427.42 2533.76 2556.32 2563.52 2597.19 2771.60 2833.89 2836.59 4614.00 4628.78 4634.73 4637.71 4642.16 4673.41 4694.55 4705.59 4706.77 4710.74 4719.22 4749.97 4757.44 4769.29 4804.63 4847.53 4894.06 4897.79 4901.61 4912.00 4923.06 5547.35 0.455604 0.484260 0.485205 0.389616 -2253.025123 -2252.996467 -2252.995522 -2253.091111 3.206071D-04 MUNgauss RevisionA2.1 retrievium 29-May-2021 DUDE CCOC(=O)c1cccc(c1)[N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](S3)C(=O)N4CCCC4 C65021395 RHF 6-31G(d) (6D,10F) C1 488.095004 |X|Y|Z| 147.641323 67.888715 31.135338 67.829669 24 6 7 16 19 3 2 |36.858105| |12.569071|36.858105| |8.067997|13.479020|73.516695| |5.269031|8.121226|25.350824|36.858105| |4.652314|7.294021|15.348827|15.960999|73.516695| |4.053658|5.190901|14.366044|12.811543|14.189406|36.858105| |3.983455|4.587208|12.355771|7.575899|9.346453|13.658138|36.858105| |3.112350|3.443024|8.219256|5.068295|7.112067|8.012636|13.798868|36.858105| |2.661744|3.000476|6.829309|4.483407|6.755158|6.894787|7.882880|13.748515|36.858105| |2.670178|3.134810|7.062874|5.048647|7.986983|7.813508|6.707507|7.838202|13.569480|36.858105| |3.187946|3.969596|9.369194|7.753124|11.946064|13.777043|7.889379|6.932365|7.978395|13.554851|36.858105| |2.287844|2.660975|5.676275|3.957109|6.750057|5.217348|4.526114|5.109878|7.664205|13.877041|8.062057|53.358707| |1.964192|2.212480|4.604648|3.034077|5.161740|3.809708|3.615745|4.296536|6.247784|7.426230|4.978029|16.605452|388.023441| |1.884705|2.094037|4.333543|2.791841|4.712330|3.458388|3.399519|4.090484|5.650228|5.925501|4.256190|10.222288|93.273634|73.516695| |1.877418|2.080278|4.310157|2.767098|4.652437|3.438643|3.406965|4.144452|5.782590|5.930210|4.213628|10.166458|93.209312|13.920231|73.516695| |1.756686|1.981746|3.991680|2.618767|4.647894|3.071546|2.825702|3.131366|4.036490|4.876601|3.911146|10.114150|75.821190|13.083717|13.077890|36.858105| |1.747560|1.986878|3.950770|2.608293|4.742311|2.970372|2.667915|2.856118|3.542872|4.368448|3.770323|8.537646|49.029817|10.570077|8.732309|13.700628|36.858105| |1.586569|1.790748|3.488390|2.266181|4.176609|2.496218|2.256687|2.375179|2.830334|3.357751|3.043292|5.975344|33.534087|7.592787|6.806019|7.975511|13.838723|36.858105| |1.466244|1.637361|3.172510|2.031363|3.717786|2.229303|2.050181|2.171207|2.561839|2.945025|2.659179|5.087121|29.777947|6.641582|6.599820|6.891188|7.927111|13.688415|36.858105| |1.472398|1.635485|3.195398|2.037617|3.674598|2.272316|2.119955|2.285304|2.731008|3.087569|2.708730|5.368726|33.561298|7.141258|7.970067|7.945109|6.852288|7.930270|13.771187|36.858105| |1.601733|1.785076|3.548817|2.282586|4.054836|2.621675|2.457379|2.712428|3.367271|3.837681|3.197660|7.051996|49.537172|9.469501|11.836769|13.837515|7.927812|6.889679|7.943393|13.692943|36.858105| |1.353587|1.487819|2.882676|1.810685|3.255077|1.997247|1.889437|2.032032|2.373851|2.603115|2.318478|4.302390|26.349415|5.780876|6.730392|5.183224|4.552689|5.156312|7.853732|13.561208|7.889619|53.358707| |1.268267|1.389901|2.661653|1.660806|3.009942|1.799478|1.698135|1.799530|2.058992|2.251059|2.058685|3.621482|21.149230|4.736509|5.353888|3.926247|3.704249|4.358111|6.364481|7.686378|5.185592|19.163022|36.858105| |1.193276|1.298038|2.475296|1.529759|2.761632|1.649956|1.571493|1.664470|1.881456|2.023461|1.860256|3.181284|18.475763|4.190423|4.787494|3.235881|3.027777|3.424681|4.555757|5.352306|4.124038|11.584994|15.897035|73.516695| |1.269569|1.398889|2.657677|1.664793|3.057716|1.778895|1.656777|1.729911|1.964853|2.181523|2.037641|3.505067|19.700934|4.450897|4.787720|3.690028|3.768277|4.776341|6.986591|6.499388|4.458782|10.537189|12.490798|14.317621|36.858105| |1.186430|1.299551|2.453595|1.524213|2.797671|1.617059|1.514933|1.576958|1.770999|1.943279|1.828421|3.063979|17.140024|3.949865|4.190639|3.080731|3.157709|3.894264|5.212368|4.874822|3.613647|7.946968|9.116706|13.752912|17.649359|0.500000| |1.311866|1.452129|2.766735|1.744135|3.212219|1.869536|1.731269|1.808877|2.070222|2.323497|2.162867|3.794762|21.438225|4.985761|4.943692|4.199407|4.718267|6.914238|10.740598|6.967263|4.726732|8.649325|6.872646|8.886500|10.473280|0.224447|388.023441| |1.330226|1.475163|2.790314|1.756618|3.260250|1.858004|1.709800|1.763278|1.991624|2.240334|2.131724|3.579128|19.321879|4.255328|4.705708|3.539095|3.619147|4.417287|5.760618|5.447164|4.130735|7.975417|7.643105|10.622195|12.460439|0.245264|48.303229|36.858105| |1.403233|1.560685|2.968434|1.876719|3.474075|1.996856|1.833630|1.894441|2.150538|2.430831|2.304519|3.898985|20.907447|4.468491|5.200210|3.796757|3.710292|4.270253|5.388220|5.658202|4.532005|8.238062|7.053020|10.139796|8.034169|0.168263|37.628227|15.861719|73.516695| |1.292324|1.433102|2.680470|1.680793|3.150374|1.748552|1.602055|1.631545|1.817335|2.042431|1.984058|3.200967|16.856452|3.776821|4.058032|2.978665|3.145527|3.811058|4.527856|4.068029|3.289179|5.694175|5.125452|7.885444|7.725828|0.198009|39.995502|14.123237|15.171482|53.358707| |1.336208|1.487428|2.760238|1.731212|3.277646|1.775941|1.614438|1.623620|1.790237|2.020230|2.001931|3.116229|15.935675|3.543096|3.848244|2.720297|2.856941|3.300519|3.665051|3.390699|2.920171|4.625454|3.890127|6.239790|4.986074|0.129029|28.995930|7.859735|12.489928|17.737528|36.858105| |1.276600|1.417202|2.601962|1.621332|3.087604|1.642000|1.493335|1.490539|1.625981|1.824933|1.829562|2.775115|14.099135|3.202334|3.368162|2.360341|2.532574|2.923100|3.124875|2.818892|2.466786|3.797802|3.143411|5.135440|3.991072|0.109158|25.488141|5.256637|8.140858|11.052486|12.463500|36.858105| |1.177180|1.296248|2.385202|1.476291|2.782965|1.505997|1.384937|1.393819|1.521558|1.688271|1.671621|2.569174|13.341036|3.076339|3.198457|2.243142|2.402980|2.819054|3.093575|2.773678|2.375740|3.837455|3.287595|5.459091|4.314061|0.127137|27.194528|5.204773|7.483286|11.080574|7.945237|12.448626|36.858105| |1.206856|1.331146|2.474629|1.540336|2.885970|1.593142|1.467347|1.491789|1.648881|1.835852|1.789479|2.845129|15.047402|3.461590|3.592940|2.616174|2.818349|3.443189|3.974446|3.459963|2.827944|4.830521|4.313197|6.878420|6.417027|0.193851|38.672559|7.545113|9.384996|17.773735|7.831144|7.946607|12.449497|36.858105| |17.566698|8.848339|12.920517|4.894245|7.505762|3.975395|4.065123|3.196106|2.694452|2.655724|3.119336|3.082648|13.945471|3.396719|3.317853|1.740327|1.732949|1.568169|1.445216|1.450186|1.580598|1.812095|1.244063|2.080553|1.243099|0.032303|9.187750|1.292873|2.414962|1.706194|1.287145|1.231313|1.142172|1.175324|0.500000| |17.537874|8.871506|10.231742|4.270730|7.164706|3.361382|3.258724|2.647816|2.323144|2.350561|2.765784|2.803152|12.705581|3.053606|3.039908|1.623473|1.624654|1.490602|1.382267|1.382286|1.490102|1.737755|1.203999|2.019080|1.210247|0.031538|8.877702|1.270225|2.373751|1.689985|1.288430|1.238842|1.142236|1.164228|0.300418|0.500000| |17.567157|8.848749|12.921507|4.895127|7.506893|3.975935|4.059680|3.193411|2.694537|2.657292|3.122042|3.085612|13.936172|3.320330|3.381600|1.742052|1.712612|1.554092|1.447441|1.465803|1.600081|1.843370|1.267789|2.127717|1.261452|0.032742|9.198799|1.322832|2.492751|1.742695|1.324328|1.258603|1.161196|1.191296|0.301083|0.300419|0.500000| |8.818928|17.603616|16.546783|7.264112|13.110940|4.759182|4.098668|3.176051|2.841825|3.021565|3.822263|3.555761|15.422728|3.593618|3.652957|1.970521|1.973505|1.792093|1.647924|1.647267|1.789366|2.046792|1.411348|2.345568|1.424075|0.036735|10.428148|1.515706|2.863496|2.010958|1.547819|1.473123|1.337498|1.366191|0.173046|0.211644|0.211146|0.500000| |8.818844|17.602766|16.545877|7.261730|13.105908|4.758438|4.104339|3.178746|2.841779|3.019343|3.817448|3.551327|15.435505|3.690474|3.573502|1.968070|2.004641|1.813667|1.644683|1.625349|1.762429|2.004506|1.379040|2.283222|1.397998|0.036122|10.412272|1.471388|2.748002|1.955794|1.489702|1.430151|1.308841|1.342409|0.211140|0.211639|0.173049|0.302952|0.500000| |4.691148|5.088012|13.979210|6.939630|8.601676|8.849965|17.765891|8.893847|5.619153|4.869159|5.621474|4.910059|21.433443|5.132190|5.142875|2.438240|2.322980|2.005717|1.838753|1.894994|2.161473|2.328420|1.552737|2.573628|1.517773|0.038827|11.226365|1.566382|2.973704|2.011644|1.494678|1.392167|1.293863|1.361627|0.136515|0.102828|0.136037|0.121537|0.121879|0.500000| |2.922454|3.095049|7.098331|4.107485|5.929061|5.671262|8.947607|17.684450|8.967059|5.612206|4.980285|5.632777|26.772438|6.603067|6.725057|2.803861|2.548597|2.155520|1.997829|2.113924|2.487432|2.596714|1.695503|2.812414|1.619493|0.041273|11.982185|1.639331|3.119515|2.066020|1.505794|1.386422|1.305327|1.395241|0.084551|0.069584|0.084436|0.079200|0.079295|0.214524|0.500000| |2.336207|2.573967|5.642206|3.579482|5.578221|4.966466|5.643456|8.965380|17.752718|8.865458|5.652411|9.366114|49.549931|11.778422|12.461277|4.221095|3.561852|2.846260|2.617770|2.847737|3.578442|3.387298|2.131065|3.471634|2.001177|0.050125|14.970015|1.998845|3.830543|2.459397|1.759650|1.592729|1.504580|1.642209|0.065934|0.057454|0.065943|0.068185|0.068176|0.124231|0.218338|0.500000| |3.048233|3.879190|8.575082|7.225820|13.392932|8.944305|5.630817|4.986445|5.670419|8.929720|17.764110|10.201102|33.025201|6.981527|6.868625|3.999527|4.036046|3.290006|2.825019|2.814553|3.255108|3.247844|2.136676|3.406090|2.151927|0.053413|16.338435|2.282822|4.383393|2.914967|2.180722|1.995582|1.801518|1.923496|0.081630|0.075003|0.081743|0.106828|0.106579|0.123872|0.108049|0.124213|0.500000| |1.868756|2.144468|4.288070|2.868015|5.235880|3.275751|2.891059|3.059191|3.789890|4.814110|4.231365|9.277322|46.884157|10.907089|8.005097|8.923862|17.770284|8.917633|5.635385|4.945514|5.654965|4.933048|3.073307|4.604151|3.163273|0.075799|27.701763|3.098534|5.626058|3.802264|2.603642|2.364339|2.228509|2.550036|0.051708|0.048093|0.050433|0.058661|0.060682|0.069426|0.074824|0.103066|0.127644|0.500000| |1.558796|1.761212|3.393032|2.197048|4.098399|2.371817|2.132627|2.208876|2.576205|3.038992|2.847286|5.180220|27.683732|6.528974|5.693687|5.656986|8.940150|17.716892|8.922707|5.650608|4.960812|5.689388|3.785182|5.444146|4.368747|0.102922|47.010148|4.105676|6.810197|5.125511|3.286132|3.024845|2.929065|3.549475|0.042830|0.040900|0.042141|0.048937|0.050021|0.053108|0.055805|0.071079|0.086571|0.214290|0.500000| |1.588406|1.756137|3.504059|2.231118|3.911711|2.582741|2.470195|2.770371|3.438193|3.767249|3.096583|6.610576|47.721272|9.026220|14.095197|8.993122|5.654664|4.963331|5.641591|8.865456|17.746569|9.787946|4.827398|7.235907|3.937760|0.091317|27.744943|3.702892|7.405029|4.048596|2.688121|2.270740|2.189530|2.561349|0.043525|0.040965|0.044427|0.048928|0.047738|0.060514|0.071430|0.104060|0.085482|0.124685|0.107704|0.500000| |1.341414|1.466115|2.850251|1.779458|3.168821|1.975951|1.892873|2.056399|2.402030|2.582823|2.275776|4.208388|26.348820|5.779091|7.107780|4.838171|4.041867|4.278032|5.783911|9.245866|7.403459|26.009944|9.625935|14.072584|5.703001|0.130987|34.083066|4.709828|9.014943|4.820584|2.997156|2.489334|2.504376|3.047065|0.036685|0.035082|0.037461|0.041112|0.040100|0.047678|0.054060|0.070900|0.064123|0.091767|0.098172|0.221187|0.500000| |1.297024|1.435443|2.659705|1.656276|3.117153|1.698750|1.555838|1.566621|1.717947|1.917962|1.897600|2.925989|15.038131|3.339718|3.701628|2.514489|2.572291|2.894386|3.235310|3.123540|2.734285|4.402415|3.738821|6.253189|4.495633|0.119366|25.101078|6.773431|11.846339|12.348871|17.552371|8.743485|6.584373|6.174903|0.034642|0.034781|0.035885|0.041606|0.039714|0.040175|0.040558|0.047039|0.056879|0.065272|0.078760|0.071586|0.081128|0.500000| |1.445393|1.623657|3.022574|1.915274|3.653480|1.963247|1.764154|1.766014|1.955822|2.240013|2.236055|3.478336|17.435413|3.813578|4.177572|2.986806|3.148019|3.584852|3.871314|3.585285|3.156685|4.706083|3.773272|5.922160|4.649624|0.114572|28.479082|7.205794|13.116674|12.355917|17.634016|8.678980|5.725096|5.898624|0.038537|0.038603|0.039766|0.047126|0.045131|0.045122|0.045132|0.052976|0.068524|0.079840|0.098332|0.080122|0.084841|0.302672|0.500000| |1.253083|1.386887|2.528384|1.565790|2.986269|1.572485|1.432764|1.422386|1.537950|1.715902|1.733964|2.573806|12.992308|2.956729|3.127063|2.126798|2.255396|2.537723|2.679358|2.472414|2.211925|3.351094|2.740776|4.577424|3.319355|0.091531|21.221960|4.226474|6.921725|7.910760|8.716205|17.578369|8.674184|5.662583|0.033468|0.033919|0.034360|0.040227|0.038826|0.037305|0.036841|0.041732|0.052410|0.059137|0.072521|0.057350|0.062146|0.218910|0.192519|0.500000| |1.329308|1.484487|2.720679|1.704424|3.273078|1.717450|1.549496|1.538764|1.679358|1.901025|1.921117|2.896445|14.539861|3.313379|3.418363|2.440125|2.681120|3.114179|3.218551|2.826347|2.493770|3.692126|2.972741|4.771613|3.766461|0.100858|25.872440|4.764212|7.465134|9.199849|8.833427|17.545456|8.827935|6.846539|0.035628|0.035845|0.036218|0.042825|0.041866|0.040057|0.039580|0.045440|0.058785|0.070352|0.091880|0.063008|0.066977|0.174371|0.220920|0.301711|0.500000| |1.125302|1.232399|2.265048|1.393577|2.613751|1.422239|1.316467|1.327203|1.443074|1.587385|1.568175|2.398430|12.523437|2.889775|3.042010|2.078580|2.184877|2.517158|2.787700|2.576748|2.224420|3.655962|3.172539|5.453422|3.997659|0.121192|24.073792|4.750404|7.051190|9.281770|6.847383|8.823771|17.541728|8.835650|0.030314|0.030366|0.030940|0.035358|0.034437|0.034280|0.034683|0.039762|0.046604|0.056271|0.071434|0.057816|0.067282|0.184348|0.138124|0.216474|0.173974|0.500000| |1.142490|1.255581|2.300475|1.419099|2.678878|1.440833|1.326347|1.331215|1.446538|1.600344|1.591056|2.420393|12.541489|2.926658|2.987207|2.088608|2.260989|2.644340|2.835877|2.516789|2.180082|3.440443|2.887535|4.810358|3.699638|0.109655|24.929069|4.169491|6.158565|7.911156|5.659352|8.656514|17.576600|8.722972|0.030855|0.030879|0.031207|0.035901|0.035372|0.034527|0.034687|0.039688|0.047607|0.058984|0.077794|0.055769|0.062792|0.134667|0.126379|0.196015|0.216253|0.301466|0.500000| |1.230025|1.360470|2.531634|1.581221|2.969893|1.636190|1.501868|1.526235|1.691750|1.893342|1.845976|2.950993|15.588872|3.620280|3.656243|2.741487|3.046195|3.839838|4.331296|3.566944|2.904008|4.782136|4.101766|6.354903|6.105904|0.176239|44.547418|6.459711|8.358074|12.301455|6.211995|6.631544|8.774151|17.563652|0.033368|0.032937|0.033586|0.038633|0.038304|0.038633|0.039555|0.046740|0.055341|0.076855|0.114328|0.071753|0.083004|0.135058|0.146236|0.135391|0.185899|0.174577|0.219664|0.500000| |1.143903|1.253826|2.333918|1.444202|2.685007|1.500417|1.394651|1.426265|1.574761|1.734104|1.676627|2.677263|14.388989|3.339117|3.473007|2.484848|2.632104|3.184742|3.761874|3.364021|2.729705|4.897893|4.559950|7.557160|6.704769|0.238143|37.816333|6.754646|8.554691|12.265455|5.854854|5.724623|8.741920|17.586615|0.031027|0.030649|0.031436|0.035640|0.035050|0.036033|0.037275|0.043889|0.049553|0.065926|0.089835|0.069491|0.086408|0.144286|0.128611|0.126506|0.138222|0.222443|0.195127|0.301554|0.500000| 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