Version2.1 2020-12-27T14:58:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(cc(c1)[N-]S(=O)(=O)c2c(c3c(s2)C[NH+](CC3)Cc4cccc(c4)O)C(=O)OC)C C20599699 RHF 6-31G(d) (6D,7F) Cc1cc(cc(c1)[N-]S(=O)(=O)c2c(c3c(s2)C[NH+](CC3)Cc4cccc(c4)O)C(=O)OC)C C01[X(C24H26N2O5S2)] 171 C1 555 COC(=O)c1c2CC[NH+](Cc2sc1S(=O)(=O)[N-]c1cc(C)cc(c1)C)Cc1cccc(c1)O COC(=O)c1c2CC[NH+](Cc2sc1S(=O)(=O)[N-]c1cc(C)cc(c1)C)Cc1cccc(c1)O COC(=O)c1c2CC[NH+](Cc3cccc(O)c3)Cc2sc1[S](=O)(=O)[N-]c4cc(C)cc(C)c4 InChIKey=JLYSBSDOFAYXMX-UHFFFAOYSA-O InChI=1S/C24H25N2O5S2/c1-15-9-16(2)11-18(10-15)25-33(29,30)24-22(23(28)31-3)20-7-8-26(14-21(20)32-24)13-17-5-4-6-19(27)12-17/h4-6,9-12,27H,7-8,13-14H2,1-3H3/q-1/p+1 InChI=1/C24H25N2O5S2/c1-15-9-16(2)11-18(10-15)25-33(29,30)24-22(23(28)31-3)20-7-8-26(14-21(20)32-24)13-17-5-4-6-19(27)12-17/h4-6,9-12,27H,7-8,13-14H2,1-3H3/q-1/p+1/fC24H26N2O5S2/h26H/q Cc1cc(cc(c1)[N-]S(=O)(=O)c2c(c3c(s2)C[NH+](CC3)Cc4cccc(c4)O)C(=O)OC)C C01[X(C24H26N2O5S2)] 171 C01 555 COC(=O)c1c2CC[NH+](Cc2sc1S(=O)(=O)[N-]c1cc(C)cc(c1)C)Cc1cccc(c1)O COC(=O)[C]1[C]2=C(S[C]1[S]([N][C]1[CH][C]([CH][C]([CH]1)C)C)([O])[O])C[NH](CC2)C[C]1[CH][CH][CH][C]([CH]1)O COC(=O)[C]1[C](SC2=C1CC[NH](C[C]3[CH][CH][CH][C](O)[CH]3)C2)[S]([O])([O])[N][C]4[CH][C](C)[CH][C](C)[CH]4 InChIKey=GOUBFIDTGUMEPY-UHFFFAOYSA-N InChI=1S/C24H26N2O5S2/c1-15-9-16(2)11-18(10-15)25-33(29,30)24-22(23(28)31-3)20-7-8-26(14-21(20)32-24)13-17-5-4-6-19(27)12-17/h4-6,9-12,26-27H,7-8,13-14H2,1-3H3 InChI=1/C24H26N2O5S2/c1-15-9-16(2)11-18(10-15)25-33(29,30)24-22(23(28)31-3)20-7-8-26(14-21(20)32-24)13-17-5-4-6-19(27)12-17/h4-6,9-12,26-27H,7-8,13-14H2,1-3H3 3782.8277274574 -2202.0404412 1-A 22677.3797 128 427 555 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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 6 6 6 6 6 6 6 7 16 8 8 6 6 6 6 16 6 7 1 6 6 6 6 6 6 6 6 6 8 6 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 12.00000 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 31.97207 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 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 7376.7588 36867.3886 37825.6519 0.99999 0.00069 0.00363 -0.00060 0.99969 -0.02490 -0.00364 0.02490 0.99968 1 0.01174 0.00235 0.00229 0.24465 0.04895 0.04771 16.08 26.76 36.99 40.33 41.32 47.30 52.20 65.30 78.49 105.85 123.52 164.83 176.15 183.05 190.56 227.87 236.66 251.90 295.02 305.61 324.32 349.20 357.70 367.66 372.40 374.55 391.08 415.45 435.42 457.92 458.93 498.81 506.08 522.45 540.08 564.99 619.75 639.01 689.18 699.25 704.92 723.36 761.63 796.04 819.31 828.42 838.23 841.83 846.04 881.68 899.64 923.91 950.03 971.32 1010.00 1029.26 1047.01 1110.14 1123.86 1179.04 1214.95 1220.80 1258.89 1275.99 1303.82 1335.08 1336.47 1359.01 1414.35 1428.95 1432.71 1435.68 1436.52 1456.46 1476.89 1485.99 1511.66 1545.48 1550.09 1559.65 1564.93 1580.71 1587.71 1589.02 1596.25 1646.90 1674.47 1675.75 1679.54 1685.52 1704.23 1726.02 1743.59 1770.46 1801.09 1831.07 1846.53 1856.78 1860.04 1871.07 1879.11 1882.14 1914.22 1916.82 1932.02 1971.39 1993.00 1994.94 2041.33 2065.81 2079.16 2108.83 2126.53 2128.31 2134.26 2183.16 2205.86 2232.45 2244.75 2251.31 2258.03 2269.88 2293.64 2294.66 2307.84 2324.06 2331.01 2353.68 2354.36 2356.82 2358.64 2365.78 2367.08 2367.47 2376.64 2378.48 2380.49 2394.20 2401.62 2559.91 2563.85 2574.66 2582.31 2615.30 2795.08 4594.88 4599.06 4667.53 4671.93 4672.60 4674.63 4687.44 4698.60 4699.26 4703.17 4713.62 4761.96 4784.82 4790.09 4795.50 4796.78 4801.39 4820.31 4836.93 4840.39 4869.00 4884.28 4885.08 4901.13 5305.43 5910.70 0.506285 0.536382 0.537326 0.440000 -2201.534156 -2201.504059 -2201.503115 -2201.600441 3.264330D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE Cc1cc(cc(c1)[N-]S(=O)(=O)c2c(c3c(s2)C[NH+](CC3)Cc4cccc(c4)O)C(=O)OC)C C20599699 RHF 6-31G(d) (6D,10F) C1 486.128316 |X|Y|Z| 135.305874 49.157518 44.190674 66.488378 24 6 7 16 20 2 2 |36.858105| |12.590558|36.858105| |7.563527|13.730270|36.858105| |5.013621|7.904221|13.684244|36.858105| |4.451826|6.885956|7.958385|13.780208|36.858105| |5.007505|7.854886|6.801379|7.832670|13.595671|36.858105| |7.592667|13.712343|7.925302|6.848746|7.950633|13.634319|36.858105| |3.824682|5.113411|4.554354|5.205170|8.028412|13.745458|7.703756|53.358707| |3.432382|4.176596|3.591667|3.815452|5.038388|7.306784|5.967937|16.989407|388.023441| |3.821581|4.422049|3.598534|3.580885|4.377744|6.239082|6.261066|10.168794|94.129712|73.516695| |2.906556|3.371993|2.963503|3.129164|3.944149|5.146544|4.467548|10.530516|93.696068|13.862833|73.516695| |2.743845|3.259869|3.002647|3.294391|4.216431|5.084072|4.145708|9.717177|73.579013|12.949654|13.592229|36.858105| |2.611367|3.090920|2.936404|3.252338|4.034871|4.501853|3.739069|7.482607|45.658370|9.891843|8.817869|13.989082|36.858105| |2.179880|2.510875|2.430119|2.682473|3.201835|3.414246|2.922539|5.511386|32.559049|7.207732|7.189889|8.157851|13.175017|36.858105| |2.034551|2.318766|2.226612|2.442307|2.915878|3.151251|2.713728|5.254551|32.029362|6.841245|7.789713|7.713010|8.231759|14.152551|36.858105| |2.250894|2.583038|2.417008|2.633537|3.232817|3.692371|3.142623|6.692991|45.508868|8.727571|12.442588|11.049018|7.441268|7.431331|11.039154|388.023441| |1.755187|1.965516|1.906224|2.076762|2.411590|2.547321|2.243486|4.097544|24.043492|5.312834|6.110931|4.836594|5.069250|7.546096|12.740691|48.016736|36.858105| |1.660948|1.859093|1.834775|2.011379|2.297910|2.356146|2.079614|3.662939|20.558663|4.634385|5.040774|3.974438|4.514401|6.793631|7.832076|33.475501|12.682085|53.358707| |1.700939|1.923770|1.919433|2.135209|2.454814|2.474420|2.149384|3.849377|20.971939|4.633712|5.100352|4.037106|4.610592|6.706808|7.307939|33.045416|9.390760|25.686689|0.500000| |1.715687|1.913282|1.886628|2.052043|2.319672|2.379438|2.125587|3.618361|20.420950|4.767964|4.817324|3.973155|4.898788|7.627530|6.850967|30.102002|7.750817|17.227184|0.258529|36.858105| |1.968842|2.234893|2.206903|2.426449|2.785770|2.855921|2.507178|4.343347|24.354429|5.663778|5.455671|5.035750|7.218819|12.630432|7.645611|33.751732|6.352857|10.395637|0.205743|12.499331|36.858105| |1.469046|1.622746|1.606641|1.746116|1.958321|1.994831|1.789942|3.047255|16.930542|3.878199|4.232434|3.056388|3.332229|4.436039|5.010882|25.581091|7.580369|17.248255|0.258384|7.621519|4.975819|36.858105| |1.408748|1.556588|1.545765|1.685897|1.891858|1.918367|1.715568|2.943402|16.134744|3.639394|4.131538|2.819081|2.945642|3.701441|4.324966|24.210703|6.231707|10.368432|0.201502|4.964128|3.840939|12.629096|36.858105| |1.398133|1.553541|1.561018|1.720034|1.925155|1.917337|1.701154|2.919310|15.563035|3.477976|3.957643|2.669537|2.793422|3.401948|3.813764|22.176328|4.892177|8.145499|0.186193|4.248836|3.543466|7.594184|13.683989|36.858105| |1.332072|1.475111|1.484140|1.632771|1.819100|1.807872|1.609628|2.745450|14.503547|3.231874|3.747820|2.403993|2.448002|2.856983|3.210533|19.983283|3.912135|5.852952|0.130729|3.281043|2.878307|5.043922|7.951535|13.779472|36.858105| |1.281490|1.408513|1.405202|1.531142|1.703218|1.714084|1.540274|2.612617|13.988987|3.131426|3.686181|2.281898|2.274079|2.618841|3.006416|19.377150|3.689897|5.146239|0.108880|2.935801|2.578674|4.448655|6.867742|7.918943|13.750415|36.858105| |1.288639|1.409621|1.393029|1.505803|1.678549|1.713052|1.549450|2.626544|14.379287|3.243603|3.818942|2.369598|2.351099|2.744850|3.232430|20.645957|4.163513|5.584335|0.111589|3.141226|2.684726|5.031198|7.929726|6.855240|7.948321|13.746920|36.858105| |1.349203|1.478771|1.457002|1.574472|1.762211|1.807116|1.632135|2.780952|15.433686|3.497753|4.048593|2.627828|2.656861|3.224741|3.863553|23.157165|5.443526|7.497762|0.140969|3.968394|3.206150|7.599400|13.772085|7.918336|6.885503|7.926211|13.700078|36.858105| |1.231056|1.335783|1.312428|1.406270|1.560026|1.604337|1.466421|2.453165|13.535794|3.081153|3.642060|2.180267|2.130862|2.432836|2.854003|18.972405|3.546957|4.568629|0.089828|2.699753|2.350678|3.939980|5.289142|4.623505|5.224063|7.937544|14.187521|8.178532|73.516695| |2.878775|3.452627|3.336332|3.691421|4.448594|4.766721|4.046561|6.961938|37.951056|9.188733|7.088395|7.468315|12.834583|7.500416|5.152832|33.730226|3.773347|4.969884|0.104691|4.165866|6.162485|2.843924|2.517275|2.437347|2.155281|1.990690|2.031720|2.265884|3.292012|36.858105| |2.581482|3.029980|3.027468|3.353770|3.833543|3.855850|3.369491|5.407926|28.469317|6.969516|5.703819|5.272775|8.101440|6.661214|4.558830|27.753212|3.575392|5.027045|0.106574|4.440349|6.848680|2.903383|2.524116|2.462835|2.152927|1.964006|1.993340|2.234358|3.207569|15.870627|73.516695| |3.563106|4.405095|4.092706|4.389614|5.312079|6.095104|5.330620|8.156249|43.258456|11.475298|7.484702|6.700280|8.164382|5.205939|4.101995|29.874142|3.130569|4.039546|0.084652|3.267420|4.356645|2.407415|2.184413|2.126343|1.922421|1.798545|1.831633|2.007860|3.010025|14.675862|15.332844|73.516695| |3.887548|4.742639|4.579569|4.707213|5.077059|5.312440|5.109281|6.299857|31.297032|8.563939|5.873000|4.474955|5.203024|3.913162|3.193055|22.768510|2.587194|3.440408|0.072214|2.801319|3.595646|2.114955|1.928481|1.896238|1.727463|1.614585|1.633185|1.775326|2.695055|8.161353|12.731852|23.865566|36.858105| |3.783140|5.018053|7.561984|12.594753|7.576766|4.992084|4.436718|5.310820|21.561190|5.034830|4.617811|2.785484|2.821761|2.428569|2.216873|16.501005|1.929941|2.597221|0.056750|1.941423|2.266549|1.677199|1.628620|1.684519|1.606525|1.494984|1.454624|1.512514|2.406113|3.181949|5.403357|6.303276|3.848373|36.858105| |17.524321|8.841813|6.144463|4.407215|4.003247|4.499856|6.445007|4.874357|22.955473|6.252132|5.043581|2.553639|2.391073|2.024957|1.921078|15.275749|1.672423|2.143898|0.044787|1.610345|1.824972|1.402794|1.355968|1.347206|1.292668|1.250064|1.256038|1.306874|2.143339|2.563142|4.096941|5.477611|3.241031|3.449312|0.500000| |17.559171|8.823825|5.699758|4.216176|3.977971|4.676078|7.035445|5.099997|25.296151|7.468156|5.319217|2.834845|2.694074|2.238722|2.086331|16.443075|1.793655|2.297690|0.047635|1.755945|2.015505|1.490707|1.420695|1.398625|1.327186|1.280743|1.296580|1.364095|2.207229|2.970018|4.697644|6.615695|4.037067|3.263675|0.302463|0.500000| |17.556381|8.818373|7.187906|4.723402|3.974677|4.168002|5.613033|4.442037|20.908091|5.737048|4.482499|2.457939|2.392243|2.028060|1.882884|14.516612|1.640900|2.138038|0.044723|1.630764|1.865112|1.397651|1.338607|1.332784|1.269872|1.218600|1.222193|1.278863|2.074067|2.672882|4.367031|5.772820|3.680550|3.782254|0.301956|0.301155|0.500000| |7.009675|8.903842|17.677158|8.889502|5.651159|4.911613|5.636042|4.929394|21.282244|5.396034|4.520591|2.580093|2.555434|2.166723|1.991692|15.149387|1.732069|2.289012|0.048757|1.733896|2.005305|1.488529|1.433620|1.450667|1.383382|1.310906|1.297444|1.353273|2.178391|2.898986|4.807821|6.140321|3.955825|7.014739|0.162657|0.145378|0.218616|0.500000| |3.557769|4.958329|5.644634|8.904535|17.709505|8.957448|5.665480|10.202535|34.125005|7.048896|6.924505|4.360968|4.233412|3.430822|3.130612|24.319714|2.589836|3.385924|0.075172|2.476234|2.982767|2.105781|2.047678|2.109858|1.992300|1.845789|1.802118|1.889202|2.949621|4.521417|7.047898|8.829669|4.559325|6.998497|0.091092|0.090553|0.090402|0.123970|0.500000| |7.068224|8.925029|5.647226|4.942983|5.651446|8.911776|17.763412|9.489991|46.002225|13.739846|8.723740|4.202267|3.670771|2.883826|2.720408|22.918239|2.249892|2.797280|0.058299|2.099842|2.450160|1.774039|1.697945|1.666218|1.577415|1.522671|1.545172|1.630061|2.617975|3.838767|5.641041|8.861402|4.605240|3.550087|0.176386|0.209167|0.142497|0.124138|0.124537|0.500000| |1.676141|1.850608|1.780796|1.911235|2.189966|2.334229|2.101085|3.703462|22.144141|5.064540|5.686982|4.258796|4.399834|6.086071|8.784665|41.013059|17.575875|12.429388|0.182695|6.985609|5.441640|7.100107|5.655456|4.259629|3.502825|3.435381|4.043308|5.395669|6.370648|3.400508|5.754330|5.130341|2.417915|1.772941|0.044457|0.047931|0.043589|0.045206|0.064251|0.059224|0.500000| |1.696315|1.899892|1.848551|2.021523|2.349915|2.469574|2.166269|3.998181|23.040994|4.989011|6.077226|4.382807|4.326746|5.731320|8.868453|45.605464|17.650397|12.356044|0.227726|5.637408|4.871790|6.996354|7.098730|5.573820|4.586070|4.423561|5.061130|6.545792|7.456895|3.309280|5.542696|5.036508|2.370332|1.888900|0.045268|0.047844|0.044004|0.046707|0.070637|0.060248|0.301604|0.500000| |1.675807|1.846673|1.800115|1.929424|2.167987|2.259723|2.053169|3.432823|19.868584|4.746205|4.739012|3.800589|4.527359|6.610296|6.346822|29.310381|7.360625|12.455026|0.182520|17.613154|8.762222|6.820253|4.536389|3.736269|2.981017|2.763273|3.041653|3.869660|4.768370|3.849373|7.110847|5.523797|2.671673|1.811179|0.043777|0.048038|0.044186|0.046072|0.063297|0.057082|0.219535|0.147088|0.500000| |1.609890|1.786062|1.779447|1.934562|2.152365|2.171794|1.954078|3.235808|17.852244|4.206078|4.210248|3.307985|4.007144|5.556545|4.996726|24.474125|5.642943|12.340145|0.215923|17.625904|8.794553|7.364105|4.792330|4.251986|3.252504|2.859449|3.007318|3.751096|4.576224|3.642570|7.166361|5.196212|2.593305|1.859190|0.041994|0.045585|0.042857|0.045834|0.063863|0.053305|0.145954|0.126718|0.300964|0.500000| |1.970701|2.259047|2.276971|2.548834|2.914275|2.889388|2.503254|4.314115|23.049846|5.288869|5.125131|4.543981|6.346362|8.890106|6.051642|29.672178|5.231403|8.945168|0.202954|8.829863|17.572255|4.589196|3.699124|3.602582|2.929646|2.562085|2.594692|3.032470|4.005049|6.011055|12.896674|7.602348|3.645102|2.426904|0.050647|0.055400|0.052200|0.057603|0.088408|0.066707|0.122435|0.120671|0.173386|0.220115|0.500000| |1.997885|2.244217|2.205461|2.385976|2.690649|2.773610|2.492466|4.108884|23.220143|5.645556|5.114542|4.579148|6.547488|8.865388|5.839803|29.178110|4.948694|7.617993|0.146706|8.959598|17.628529|4.128545|3.244093|2.995239|2.494327|2.269861|2.371124|2.793417|3.762695|6.402983|13.691773|8.075500|3.849140|2.220669|0.051060|0.057314|0.052848|0.055982|0.078261|0.067985|0.127720|0.109350|0.219342|0.206124|0.307042|0.500000| |1.423858|1.570335|1.567136|1.704487|1.891869|1.903742|1.714249|2.860813|15.653743|3.621160|3.853879|2.780942|3.093459|4.022619|4.221429|22.176760|5.593262|12.450001|0.220957|7.317496|4.830173|17.621268|8.880303|7.000569|4.692932|3.987536|4.259109|5.777669|6.059485|2.741003|5.110746|4.121787|2.072456|1.654360|0.037672|0.040047|0.037864|0.040551|0.056525|0.046917|0.146164|0.142836|0.173992|0.237373|0.129584|0.114069|0.500000| |1.430210|1.565890|1.538046|1.653453|1.845401|1.900716|1.726863|2.896678|16.371689|3.812030|4.119505|2.924364|3.152340|4.123153|4.693945|24.612778|7.047720|12.411642|0.181785|6.927372|4.541827|17.633048|8.818759|5.595522|4.188807|3.971213|4.746124|7.242925|7.012472|2.697697|4.861290|4.106502|2.034047|1.578551|0.037981|0.040554|0.037781|0.039666|0.054456|0.047967|0.218652|0.174437|0.202903|0.181331|0.111885|0.109800|0.301798|0.500000| |1.428585|1.594785|1.616020|1.792934|2.001141|1.967404|1.737528|2.967350|15.601093|3.492391|3.890311|2.689281|2.884515|3.519801|3.765622|21.526671|4.582448|8.200140|0.203196|4.495056|3.811395|7.008394|8.850612|17.692628|8.931900|5.640461|4.941219|5.627343|6.517032|2.562907|4.690309|3.934756|1.986346|1.771309|0.038066|0.039587|0.037967|0.041762|0.061338|0.046904|0.109146|0.136381|0.105402|0.129988|0.112110|0.088777|0.204475|0.141131|0.500000| |1.311926|1.455060|1.475632|1.630931|1.806936|1.774342|1.577419|2.669736|13.866147|3.087685|3.561545|2.260799|2.304361|2.631936|2.883810|18.313771|3.349784|5.010578|0.114241|2.937891|2.659239|4.106555|5.650498|8.934069|17.731560|8.946496|5.657920|4.959622|7.488411|2.063042|3.679329|3.295025|1.681107|1.622181|0.035410|0.036121|0.034846|0.038325|0.055257|0.042678|0.083259|0.106188|0.073755|0.081846|0.076704|0.064579|0.110790|0.096323|0.215734|0.500000| |1.230037|1.347479|1.346217|1.463667|1.619393|1.625915|1.467259|2.464326|13.100764|2.938112|3.470847|2.089293|2.062732|2.322293|2.633406|17.515258|3.110601|4.265984|0.090435|2.526331|2.271562|3.555312|4.948258|5.638231|8.908170|17.704368|8.905614|5.636153|12.693703|1.824685|3.191656|2.966722|1.508583|1.434470|0.033478|0.034058|0.032525|0.034993|0.048640|0.040289|0.081246|0.101680|0.066530|0.068541|0.062995|0.056247|0.090708|0.090385|0.124159|0.215776|0.500000| |1.340285|1.459969|1.427841|1.530202|1.709403|1.771249|1.614089|2.725704|15.388282|3.531143|4.054583|2.617037|2.633529|3.192143|3.854255|23.239629|5.479450|7.106188|0.126362|3.944950|3.154231|6.972142|8.855200|5.619038|4.959499|5.660005|8.972683|17.725083|13.435390|2.239641|3.907650|3.541952|1.758943|1.459935|0.036064|0.037853|0.035247|0.036853|0.050416|0.045125|0.166502|0.173596|0.112314|0.101981|0.080827|0.077647|0.146696|0.218906|0.123361|0.107655|0.124444|0.500000| |1.195008|1.295098|1.275580|1.366900|1.511259|1.548241|1.416872|2.357603|12.888227|2.930034|3.476899|2.042166|1.986015|2.231491|2.584246|17.535974|3.105761|4.024550|0.080682|2.422179|2.151165|3.379187|4.425291|4.154846|4.962507|7.722735|9.984946|6.058804|35.730897|1.740785|3.013526|2.851558|1.443945|1.320640|0.032617|0.033375|0.031489|0.033151|0.044668|0.039458|0.085916|0.101126|0.066387|0.064551|0.057853|0.054064|0.083361|0.092560|0.093709|0.116280|0.227462|0.153136|0.500000| |3.412210|3.890257|3.747904|3.761954|3.943406|4.117436|4.083913|5.114767|26.727513|7.489606|5.229863|3.970129|4.725031|3.757400|3.048291|21.089539|2.515216|3.385238|0.070082|2.827499|3.606391|2.096966|1.888275|1.842273|1.669528|1.562756|1.589531|1.738146|2.627743|7.192947|12.682072|16.466329|17.626326|3.237752|0.080159|0.100554|0.091703|0.093965|0.101311|0.107057|0.066261|0.063341|0.075883|0.073339|0.100115|0.111978|0.057476|0.056509|0.053629|0.044980|0.040483|0.048123|0.039002|0.500000| |3.653703|4.562835|4.818004|5.287362|5.508087|5.140373|4.696063|5.973486|27.910489|7.147205|5.401285|4.056644|4.753922|3.730184|3.049002|21.364489|2.509108|3.405788|0.072719|2.753598|3.531169|2.102413|1.928319|1.923655|1.754423|1.624789|1.626573|1.760195|2.668721|7.221912|12.660499|16.460383|17.651746|4.507281|0.085573|0.100973|0.098459|0.116745|0.141191|0.112921|0.064398|0.064411|0.071569|0.071909|0.103687|0.103036|0.057758|0.055537|0.056553|0.047813|0.042228|0.048005|0.039839|0.299323|0.500000| |4.931155|6.096101|5.507071|5.187586|5.367965|5.907209|6.363298|6.487216|31.771164|9.126871|5.943604|4.111899|4.408328|3.374136|2.874778|21.313835|2.358724|3.091942|0.064670|2.466584|3.054111|1.929173|1.782158|1.753178|1.615898|1.523348|1.541093|1.660377|2.564031|5.986784|9.166153|16.991655|17.718096|4.000546|0.108868|0.144820|0.127499|0.129323|0.125205|0.156927|0.061736|0.060849|0.066087|0.063535|0.085159|0.089424|0.052269|0.051821|0.050607|0.043774|0.039794|0.045806|0.038316|0.297580|0.299167|0.500000| |3.730273|4.681009|7.029538|8.820295|5.692187|4.193167|3.962933|4.547705|19.312356|4.644256|4.150330|2.530761|2.604740|2.264487|2.054387|15.073263|1.803321|2.446419|0.053116|1.850009|2.152211|1.590356|1.535167|1.583014|1.506014|1.402600|1.368282|1.425909|2.267976|2.990720|5.194235|5.928120|3.789514|17.546567|0.093059|0.089628|0.108377|0.208882|0.144599|0.090291|0.046375|0.048746|0.048148|0.049586|0.063967|0.059365|0.043841|0.041753|0.046319|0.042213|0.037384|0.038353|0.034555|0.090599|0.124631|0.109945|0.500000| |3.231168|4.184350|5.610688|8.822531|7.179223|4.710213|3.966321|5.311090|21.598006|4.936713|4.638566|2.905683|2.999063|2.608357|2.363075|17.285084|2.058052|2.801406|0.061955|2.088618|2.454469|1.800116|1.748466|1.825165|1.733969|1.596929|1.543918|1.607998|2.533189|3.381685|5.841053|6.454225|3.852759|17.561451|0.082293|0.080097|0.088726|0.142123|0.216812|0.090342|0.052001|0.055978|0.053475|0.055753|0.074368|0.066112|0.049513|0.046647|0.053792|0.048848|0.042430|0.042837|0.038586|0.090399|0.128933|0.106087|0.301338|0.500000| 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