Version2.0 2020-01-09T18:44:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@H](c2ccc(cc2C)C)N(Cc3ccc(o3)C)C(=O)COC C36601962 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@H](c2ccc(cc2C)C)N(Cc3ccc(o3)C)C(=O)COC C01[X(C27H32N2O6S1)] 198 C1 608 COCC(=O)N([C@@H](c1ccc(cc1C)C)C(=O)NCS(=O)(=O)c1ccc(cc1)C)Cc1ccc(o1)C COCC(=O)N([C@@H](c1ccc(cc1C)C)C(=O)NCS(=O)(=O)c1ccc(cc1)C)Cc1ccc(o1)C COCC(=O)N(Cc1oc(C)cc1)[C@H](C(=O)NC[S](=O)(=O)c2ccc(C)cc2)c3ccc(C)cc3C InChIKey=MEXPROFVOIBBRC-SANMLTNESA-N InChI=1S/C27H32N2O6S/c1-18-6-11-23(12-7-18)36(32,33)17-28-27(31)26(24-13-8-19(2)14-20(24)3)29(25(30)16-34-5)15-22-10-9-21(4)35-22/h6-14,26H,15-17H2,1-5H3,(H,28,31)/t26-/m0/s1 InChI=1/C27H32N2O6S/c1-18-6-11-23(12-7-18)36(32,33)17-28-27(31)26(24-13-8-19(2)14-20(24)3)29(25(30)16-34-5)15-22-10-9-21(4)35-22/h6-14,26H,15-17H2,1-5H3,(H,28,31)/t26-/m0/s1/f/h28H Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@H](c2ccc(cc2C)C)N(Cc3ccc(o3)C)C(=O)COC C01[X(C27H32N2O6S1)] 198 C01 608 COCC(=O)N([C@@H](c1ccc(cc1C)C)C(=O)NCS(=O)(=O)c1ccc(cc1)C)Cc1ccc(o1)C COCC(=O)N([C@@H](c1ccc(cc1C)C)C(=O)NCS(c1ccc(cc1)C)(O)O)Cc1ccc(o1)C COCC(=O)N(Cc1oc(C)cc1)[C@H](C(=O)NC[S](O)(O)c2ccc(C)cc2)c3ccc(C)cc3C InChIKey=XLNFAEXXLNRBNT-SANMLTNESA-N InChI=1S/C27H34N2O6S/c1-18-6-11-23(12-7-18)36(32,33)17-28-27(31)26(24-13-8-19(2)14-20(24)3)29(25(30)16-34-5)15-22-10-9-21(4)35-22/h6-14,26,32-33H,15-17H2,1-5H3,(H,28,31)/t26-/m0/s1 InChI=1/C27H34N2O6S/c1-18-6-11-23(12-7-18)36(32,33)17-28-27(31)26(24-13-8-19(2)14-20(24)3)29(25(30)16-34-5)15-22-10-9-21(4)35-22/h6-14,26,32-33H,15-17H2,1-5H3,(H,28,31)/t26-/m0/s1/f/h28H 4280.4243959058 -1996.5786814 1-A 20157.7909 136 472 608 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 9.3506 10.2207 14.2670 20.9398 21.8743 26.1851 29.8400 34.8757 41.7185 46.6418 50.1230 55.5779 70.3798 79.4640 86.8544 102.8912 108.2941 111.8922 137.9938 148.7683 157.1682 168.3643 173.6236 177.0281 186.7156 207.6511 223.8055 228.1045 242.2640 251.9975 261.1000 269.6214 288.9857 307.9002 316.8656 327.4019 337.7866 352.6345 368.8630 373.0702 401.2102 403.9771 437.7432 448.3119 455.8047 460.7198 484.3720 492.1245 502.1221 507.4755 525.5755 544.9006 568.0139 583.2510 601.8231 617.4732 624.7221 648.0451 673.3475 680.4999 695.5241 696.3655 702.4511 729.0526 757.6805 782.8081 783.8501 813.3254 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198.54 214.04 226.13 242.24 249.81 254.70 268.64 298.76 322.01 328.19 348.56 362.57 375.66 387.93 415.79 443.00 455.90 471.06 486.00 507.36 530.71 536.76 577.25 581.23 629.81 645.02 655.80 662.87 696.90 708.06 722.44 730.14 756.19 783.99 817.25 839.17 865.89 888.41 898.84 932.39 968.80 979.09 1000.70 1001.91 1010.67 1048.94 1090.13 1126.29 1127.79 1170.19 1195.97 1215.73 1229.10 1274.65 1312.74 1320.80 1335.24 1352.51 1380.00 1387.03 1407.45 1416.68 1433.12 1437.88 1470.74 1524.33 1541.48 1565.65 1570.67 1576.16 1579.12 1580.77 1591.76 1601.89 1603.69 1605.29 1611.10 1633.67 1638.18 1657.95 1684.09 1687.92 1688.82 1690.73 1712.07 1723.62 1730.15 1751.45 1796.73 1797.95 1851.76 1861.70 1871.05 1883.62 1890.48 1894.22 1908.59 1912.84 1917.66 1926.55 1933.88 1965.24 1975.74 1977.80 1990.77 2035.97 2062.75 2067.68 2071.72 2096.70 2114.17 2118.84 2143.97 2197.29 2227.93 2238.52 2243.14 2248.70 2254.46 2255.66 2260.17 2265.60 2298.41 2312.97 2328.61 2341.62 2347.11 2348.26 2348.76 2353.67 2354.55 2357.21 2358.66 2366.88 2368.72 2377.30 2411.31 2413.12 2419.15 2452.54 2533.95 2540.92 2550.41 2599.19 2620.97 2635.82 2837.78 2857.65 4542.96 4569.45 4603.07 4611.65 4612.04 4618.75 4635.00 4648.99 4686.41 4689.56 4697.99 4701.55 4709.64 4724.81 4734.79 4735.67 4738.91 4744.04 4753.49 4769.30 4817.48 4824.81 4826.51 4829.34 4845.17 4850.89 4856.79 4897.08 4906.39 4937.43 4981.64 5578.36 0.596250 0.631465 0.632409 0.520389 -1995.982431 -1995.947216 -1995.946272 -1996.058292 3.757169D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2020 DUDE Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@H](c2ccc(cc2C)C)N(Cc3ccc(o3)C)C(=O)COC C36601962 RHF 6-31G(d) (6D,10F) C1 512.198109 |X|Y|Z| 113.604104 72.868734 44.068377 71.453049 24 6 7 8 16 20 2 1 1 |36.858105| |12.617468|36.858105| |7.563317|13.663820|36.858105| |5.020430|7.888620|13.803410|36.858105| |4.440095|6.850624|7.965925|13.707100|36.858105| |5.010320|7.890530|6.875680|7.906703|13.754228|36.858105| |7.545593|13.715206|7.957885|6.872749|7.962472|13.749907|36.858105| |3.143621|4.186645|4.738791|6.960973|10.765870|6.958999|4.732745|388.023441| |2.865495|3.678710|3.830632|4.944970|7.330910|6.490083|4.418601|94.233253|73.516695| |2.863568|3.671999|4.390148|6.395532|7.305105|4.972572|3.837936|94.273107|13.524471|73.516695| |2.827193|3.600442|4.023358|5.376070|6.737112|5.202231|3.945650|75.113346|12.869588|13.070501|36.858105| |2.827818|3.541387|3.693565|4.528334|5.791696|5.279958|4.062161|50.291587|11.325018|8.811437|13.385907|53.358707| |2.409998|2.899570|2.949740|3.464716|4.278508|4.147199|3.331981|37.667227|9.893653|7.174672|7.817051|18.976850|36.858105| |2.143425|2.542296|2.626962|3.095401|3.714718|3.500248|2.857318|34.666952|9.268767|7.073263|6.870982|11.541547|15.963582|73.516695| |2.365503|2.772350|2.700728|3.016313|3.661403|3.857914|3.248205|28.748168|7.861963|5.648732|5.035375|10.595016|12.382116|14.096119|36.858105| |2.580539|3.058301|2.902430|3.221814|4.044912|4.520153|3.733957|30.604418|8.775534|5.830346|4.891850|9.918474|9.147517|11.210349|17.637467|0.500000| |2.407405|2.759234|2.665658|2.881223|3.338385|3.532642|3.150225|24.386892|6.228825|4.963965|4.319354|8.617702|7.429169|9.622992|12.459240|0.251401|36.858105| |2.306768|2.624095|2.608974|2.825322|3.148144|3.177417|2.875151|23.149807|5.620470|4.871738|4.339612|8.163147|6.494509|9.095975|7.503306|0.160226|13.744429|36.858105| |2.241214|2.476568|2.448570|2.570224|2.760617|2.800725|2.643060|19.535203|4.682322|4.236489|3.483260|5.967961|4.436500|6.659927|4.982006|0.118494|7.870825|13.744127|36.858105| |2.265458|2.445465|2.351252|2.402254|2.573018|2.696474|2.622270|17.651443|4.302391|3.831284|2.974548|5.005532|3.702609|5.591430|4.389515|0.111187|6.777151|7.932658|13.776995|36.858105| |2.364376|2.558677|2.396386|2.440546|2.679742|2.911490|2.833059|18.219725|4.567921|3.881399|2.975857|5.127116|3.871519|5.726561|5.004658|0.132587|7.939506|6.964721|8.010676|13.685866|36.858105| |2.438678|2.717423|2.540705|2.648926|3.021068|3.333411|3.118773|20.978909|5.410893|4.340966|3.442645|6.284995|4.987159|7.028264|7.491533|0.199760|13.578431|7.939487|6.834125|7.820439|13.753758|36.858105| |2.423065|2.675884|2.439654|2.519747|2.916726|3.350731|3.160932|20.082438|5.401317|4.148405|3.083894|5.405678|4.316897|6.304401|6.404061|0.202595|7.469183|5.006430|4.431183|5.008027|7.619032|12.595471|36.858105| |2.107047|2.208988|2.126600|2.130269|2.222231|2.314569|2.308269|15.080390|3.651401|3.354658|2.473014|3.951917|2.879328|4.510571|3.256350|0.084797|4.408571|5.016283|7.541244|12.612432|7.560526|4.998362|3.799484|36.858105| |2.027581|2.319534|2.262868|2.498388|2.957288|3.095550|2.672986|23.604553|6.645857|4.870775|3.903607|7.021826|7.720116|12.395593|13.136084|0.258058|7.636203|5.562798|4.105666|3.735259|4.232563|5.854453|5.629021|2.901232|53.358707| |1.804484|2.030383|2.006701|2.198665|2.514738|2.566871|2.271636|20.017858|5.403341|4.307125|3.381399|5.738552|5.874552|10.583394|7.550638|0.156053|6.325616|5.485967|4.201568|3.719200|3.971803|4.975498|4.464181|2.941670|17.661188|36.858105| |1.674940|1.846808|1.803834|1.934294|2.174692|2.254338|2.052085|16.707131|4.477487|3.653788|2.720817|4.480770|4.147512|7.233125|5.349902|0.123849|5.238936|4.603946|3.914202|3.704566|4.034182|4.786295|4.468805|3.013927|10.422254|12.732938|36.858105| |1.531993|1.671692|1.627362|1.732595|1.934990|2.013404|1.850839|14.792817|3.997394|3.281751|2.331890|3.715306|3.319610|5.909285|4.069008|0.100838|3.909729|3.488182|3.107827|3.037284|3.316435|3.785929|3.793428|2.591074|7.549654|7.317795|14.223524|36.858105| |1.470728|1.583203|1.533057|1.610202|1.774656|1.855373|1.737906|13.265613|3.530179|2.964628|2.078546|3.284914|2.820069|4.912172|3.423277|0.086813|3.526648|3.224017|3.034718|3.083949|3.358804|3.618584|3.616932|2.714018|5.743549|5.135912|8.571991|13.223948|36.858105| |1.558869|1.676832|1.622149|1.697439|1.863318|1.948800|1.835006|13.773095|3.610976|3.061914|2.196595|3.524423|2.998187|5.093488|3.706267|0.092309|4.110339|3.822283|3.703207|3.836760|4.151733|4.315126|4.059649|3.331984|5.913553|5.317593|8.715909|8.561655|14.204287|36.858105| |1.697322|1.852470|1.801064|1.906095|2.113979|2.200369|2.040454|15.808160|4.139132|3.467807|2.591494|4.281694|3.769378|6.315548|4.859208|0.114255|5.547067|5.089275|4.641313|4.560775|4.919383|5.440237|4.730165|3.673960|7.929445|7.834120|14.056211|8.639928|8.655336|14.144104|73.516695| |1.527165|1.620820|1.563355|1.614951|1.747272|1.829042|1.753225|12.665709|3.268913|2.837428|2.011206|3.189459|2.612474|4.387605|3.142409|0.079966|3.644847|3.529648|3.687773|4.040098|4.239229|3.999906|3.689856|3.749129|4.658181|3.934656|5.327104|5.140465|7.323975|12.786696|14.022590|36.858105| |1.937520|2.210623|2.148342|2.373455|2.829524|2.986002|2.565803|22.924166|6.815021|4.778615|3.523317|5.889331|5.942837|10.522123|7.692757|0.203953|5.085226|3.998505|3.177472|2.982791|3.375078|4.402720|4.723096|2.427166|18.823743|7.945419|5.949476|5.147124|3.860406|3.705320|7.982351|2.956044|36.858105| |1.729862|1.945248|1.900174|2.083145|2.427951|2.530999|2.217846|19.611597|5.724421|4.235170|2.978524|4.738897|4.534536|8.535016|5.349929|0.140076|4.040433|3.381894|2.794398|2.641180|2.930850|3.625887|3.867157|2.208065|11.569983|7.221318|6.034363|5.845398|4.133892|3.729733|7.689276|2.918177|15.966126|73.516695| |2.133667|2.469819|2.369330|2.632446|3.244388|3.533255|2.955370|26.259637|8.454435|5.313094|3.720395|6.082605|5.609289|9.448210|6.628510|0.218551|4.471961|3.523230|2.862314|2.733588|3.123242|4.039650|4.587555|2.255268|10.425901|5.009548|4.115482|3.725252|3.046184|2.971092|6.130431|2.501626|12.473894|14.260485|36.858105| |1.935076|2.203013|2.116722|2.328170|2.803050|3.025093|2.593941|22.548426|7.217628|4.771489|3.068052|4.701479|4.089714|7.294590|4.499228|0.139808|3.396370|2.819593|2.380699|2.300028|2.589451|3.183414|3.629572|1.954966|7.132137|4.002078|3.502172|3.382007|2.796807|2.645096|5.234903|2.246195|8.042176|12.974993|13.809692|73.516695| |2.019457|2.304352|2.200360|2.415225|2.925433|3.198370|2.737031|23.217361|7.661905|4.949451|2.959857|4.368001|3.563396|6.274127|3.738375|0.119059|2.947388|2.497888|2.148503|2.089677|2.337461|2.807948|3.197854|1.802318|5.408976|3.159922|2.815005|2.721225|2.341539|2.246629|4.382192|1.964163|5.220942|8.471788|8.209937|24.289002|36.858105| |17.542995|8.872133|6.532499|4.547003|3.992320|4.372020|6.056039|20.801868|4.785712|4.871115|2.575095|3.445727|2.190164|3.518778|2.137690|0.064541|2.145941|2.058708|1.995317|2.009242|2.092781|2.164129|2.170480|1.881149|2.536045|1.666615|1.550707|1.429989|1.372081|1.443536|2.777153|1.412019|1.802689|2.886495|1.991562|3.260667|1.934533|0.500000| |17.588793|8.837182|5.585645|4.174458|3.969132|4.735676|7.207376|20.709376|4.872399|4.636907|2.658438|3.725102|2.374943|3.734852|2.392268|0.073223|2.454954|2.316899|2.263835|2.334764|2.480773|2.548649|2.579574|2.176450|2.801521|1.824051|1.709816|1.568584|1.513946|1.606517|3.094204|1.579545|1.969159|3.123031|2.172849|3.504426|2.055233|0.301823|0.500000| |17.565563|8.848622|6.928929|4.661649|3.975392|4.239379|5.744401|20.744821|4.654310|4.802202|2.723526|3.697674|2.313432|3.669351|2.263300|0.067405|2.346852|2.295852|2.270134|2.293837|2.348192|2.373430|2.310168|2.166065|2.643312|1.751717|1.631365|1.489038|1.437296|1.532184|2.963019|1.512959|1.836798|2.929043|1.987594|3.199598|1.855276|0.302193|0.301430|0.500000| |7.025367|8.898555|17.710603|8.963121|5.661699|4.952926|5.652755|27.862205|5.716851|6.837598|3.474172|4.318539|2.595030|4.179105|2.384858|0.070029|2.384110|2.375506|2.271251|2.184456|2.193975|2.283127|2.180378|2.014401|2.765845|1.833514|1.662123|1.507300|1.428998|1.512374|2.964729|1.468212|1.928954|3.069762|2.095951|3.366948|1.960845|0.180739|0.141245|0.202496|0.500000| |4.092961|5.621047|8.915457|17.741307|8.904169|5.636359|4.954089|47.269971|8.107187|12.957319|5.370409|5.759913|3.290568|5.385428|2.800320|0.081033|2.672111|2.681691|2.447991|2.256261|2.253756|2.426004|2.284527|2.017882|3.210140|2.113731|1.854280|1.664170|1.544847|1.624872|3.240274|1.545941|2.241786|3.538047|2.445527|3.883437|2.252319|0.106635|0.096049|0.110068|0.215645|0.500000| |4.083268|5.622608|4.956373|5.637826|8.931148|17.750361|8.892061|47.265595|13.354708|8.192253|5.074829|7.488540|4.571293|6.780718|4.386828|0.151355|3.814054|3.284441|2.832307|2.739485|3.034267|3.602721|3.764039|2.318368|4.782334|2.812767|2.453212|2.191544|1.997330|2.082186|4.195578|1.928064|3.463346|5.110946|4.317882|6.427256|3.869727|0.101542|0.112459|0.097770|0.107576|0.124167|0.500000| |6.989490|8.914186|5.650638|4.951919|5.662897|8.946861|17.716966|27.835699|6.895780|5.737440|3.387540|4.916313|3.098833|4.735958|3.156323|0.102388|3.090361|2.763384|2.567382|2.613463|2.892643|3.177873|3.345375|2.313054|3.592568|2.234924|2.052175|1.865193|1.763630|1.859470|3.642378|1.782970|2.554079|3.935332|2.959231|4.654580|2.774896|0.159021|0.219928|0.146882|0.124132|0.107546|0.215132|0.500000| |2.448030|3.015072|3.342587|4.296128|5.096851|4.137734|3.264146|58.090042|11.596461|12.290696|17.646594|12.614162|7.539498|14.339337|4.710966|0.122440|3.941954|4.018319|3.229859|2.740280|2.721766|3.132630|2.827240|2.301707|5.304294|3.479572|2.751248|2.367593|2.085160|2.180111|4.572000|1.976674|3.575058|5.481424|3.673671|5.486338|2.939879|0.062978|0.064339|0.065783|0.082639|0.123807|0.115528|0.079978|0.500000| |2.945428|3.743351|4.385694|5.924848|6.493287|4.836535|3.884571|57.424430|9.652899|12.149758|17.609964|12.399026|5.852727|9.301278|4.218030|0.113236|3.933420|4.165539|3.498465|2.968747|2.887917|3.216097|2.834298|2.512603|4.544719|2.999715|2.483109|2.140129|1.941500|2.069771|4.300207|1.928557|2.992397|4.597913|3.104973|4.663716|2.548638|0.074102|0.075624|0.080533|0.107285|0.173991|0.123342|0.091385|0.299802|0.500000| |3.172335|4.017358|4.069212|4.814704|6.122130|5.974880|4.690662|43.965308|9.860726|7.858723|9.093195|26.058291|9.318910|10.862253|7.459814|0.209360|7.014385|6.450041|4.835195|4.146257|4.309068|5.292900|4.433510|3.213963|6.534319|3.919058|3.194516|2.655562|2.396689|2.608188|5.598040|2.400528|3.994968|5.736087|4.176401|5.774768|3.053583|0.077075|0.085934|0.084714|0.095556|0.119582|0.168385|0.115497|0.179640|0.216932|0.500000| |2.218298|2.548043|2.600109|2.883757|3.200574|3.108905|2.758947|24.624703|5.868021|5.244970|4.926164|9.050855|7.369703|10.826074|6.957633|0.145747|8.914768|17.709177|8.982919|5.662906|4.999015|5.637180|4.068424|4.100665|7.303720|5.513476|4.341799|3.327931|3.006719|3.453081|8.040579|3.144706|3.939215|5.996508|3.452645|4.955148|2.472523|0.055471|0.060996|0.061409|0.066053|0.077637|0.088573|0.072371|0.131173|0.131414|0.179784|0.500000| |2.119234|2.323872|2.339253|2.454331|2.575737|2.554809|2.424448|18.344750|4.323992|4.076575|3.285128|5.335279|3.894843|6.099779|4.079088|0.098286|5.627417|8.937162|17.711610|8.913552|5.666346|4.931559|3.544463|6.954312|4.753004|3.677754|3.435762|2.799172|2.750191|3.303294|7.108314|3.347067|2.791738|4.458574|2.528053|3.813720|1.953182|0.052747|0.058859|0.060311|0.061196|0.066056|0.070729|0.064840|0.085970|0.094187|0.116635|0.218065|0.500000| |2.314722|2.446918|2.257800|2.258902|2.456975|2.704595|2.698617|16.468889|4.155980|3.546752|2.601392|4.335253|3.245515|4.920070|4.084705|0.112822|5.650202|4.997312|5.683376|8.940916|17.690697|8.973007|7.145548|7.057837|4.926070|3.399278|3.572866|3.076988|3.211964|3.916551|7.673319|4.179477|3.029179|4.767117|2.858190|4.317263|2.218319|0.057102|0.068502|0.063828|0.057783|0.057802|0.078205|0.078162|0.066393|0.070390|0.100171|0.108268|0.124459|0.500000| |2.713247|3.046514|2.718867|2.806624|3.331326|4.002063|3.746828|22.387754|6.126208|4.524249|3.320218|5.827867|4.479213|6.427813|6.355515|0.232344|6.552205|4.533552|3.946128|4.286565|5.936210|8.794386|17.521129|3.355627|7.145915|3.990102|3.794678|3.292311|3.078175|3.339466|6.826464|3.051857|4.674186|6.658481|5.019167|6.946124|3.553352|0.067116|0.080853|0.070542|0.066368|0.069389|0.129296|0.112373|0.082921|0.083832|0.135574|0.106268|0.089917|0.156075|0.500000| |2.179254|2.407797|2.228069|2.329973|2.703903|3.048984|2.824033|19.283483|5.308383|4.017297|2.948996|5.096366|4.302449|6.503963|6.552574|0.200173|6.679538|4.587388|3.964555|4.278093|5.889149|8.834525|17.579719|3.343082|9.158730|5.177316|5.381713|4.611231|4.256096|4.612949|9.565331|3.931056|5.789040|8.390637|5.294751|7.400370|3.497813|0.055026|0.063845|0.057635|0.055606|0.059385|0.096262|0.082244|0.076983|0.074263|0.110669|0.107697|0.090320|0.153492|0.301629|0.500000| |2.351855|2.526361|2.280848|2.307451|2.610041|2.998207|2.933735|17.646729|4.686414|3.722053|2.664671|4.486855|3.481773|5.255501|4.712164|0.143959|5.545263|4.190651|3.998530|4.800296|7.391758|8.871821|17.595658|3.871266|5.909793|3.703039|3.890015|3.453766|3.462778|3.907527|7.584210|3.742944|3.819400|5.852849|3.742194|5.572104|2.830246|0.058657|0.070522|0.062593|0.057253|0.058238|0.091539|0.087849|0.068187|0.069386|0.101946|0.096007|0.090917|0.231676|0.302891|0.302054|0.500000| |2.237819|2.305633|2.187717|2.150989|2.226526|2.348125|2.394532|14.769593|3.571042|3.287076|2.368885|3.746162|2.676797|4.179788|3.013009|0.080821|3.952926|4.260000|5.773648|8.837674|6.868758|4.631757|3.712298|17.554006|3.630930|2.635329|2.688179|2.355488|2.462212|2.946278|5.660874|3.287638|2.278356|3.678781|2.164555|3.356999|1.762342|0.055163|0.064912|0.064287|0.057722|0.056136|0.064859|0.067346|0.060660|0.067129|0.085747|0.098558|0.147541|0.200532|0.093098|0.088966|0.108334|0.500000| |1.904529|1.986001|1.910276|1.918241|2.008232|2.095144|2.083266|13.794217|3.382539|3.088030|2.235440|3.542814|2.643272|4.215133|3.019805|0.078530|3.963383|4.354563|6.001580|8.855096|6.570118|4.543222|3.616259|17.540557|3.804484|2.896674|3.083069|2.692584|2.910438|3.650411|6.877008|4.373035|2.360111|3.876495|2.166566|3.375053|1.740844|0.047734|0.054804|0.054045|0.050382|0.050677|0.058853|0.058392|0.058599|0.062440|0.078487|0.101226|0.156354|0.183715|0.087119|0.090908|0.104545|0.302236|0.500000| |2.045817|2.144711|2.100376|2.109264|2.168184|2.214986|2.203718|14.793266|3.531541|3.333017|2.451919|3.838029|2.763681|4.388381|3.006071|0.077594|3.941444|4.735827|7.210222|8.838046|5.579979|4.153672|3.225823|17.581632|3.650259|2.756219|2.773554|2.393890|2.482118|2.994929|5.879822|3.322421|2.258143|3.676142|2.100468|3.256988|1.696725|0.050914|0.057963|0.059025|0.055835|0.056150|0.060943|0.060538|0.063737|0.070347|0.085709|0.113054|0.219356|0.141465|0.081220|0.080502|0.089470|0.301569|0.301924|0.500000| |1.694040|1.905528|1.900720|2.096610|2.389169|2.403969|2.118025|19.480685|5.303984|4.269314|3.244033|5.243265|5.295091|10.630166|5.895263|0.130631|4.798041|4.389282|3.495773|3.101341|3.247538|3.911218|3.643891|2.545137|12.504871|17.678940|9.019661|6.750983|4.624162|4.473838|10.382779|3.398558|7.651540|14.355304|4.838979|7.238790|3.187450|0.043830|0.047300|0.045633|0.048452|0.056574|0.073004|0.057599|0.095803|0.079579|0.096953|0.128660|0.088255|0.079209|0.093760|0.115906|0.086366|0.064017|0.069813|0.067332|0.500000| |1.846560|2.082354|2.079400|2.285159|2.585033|2.595230|2.302001|20.541655|5.354613|4.438456|3.636028|6.245287|6.332640|11.211240|7.489284|0.147842|7.131840|7.031091|5.097027|4.204597|4.249813|5.155529|4.236289|3.254914|12.470001|17.670197|9.042323|5.659977|4.486678|4.985360|13.390256|3.916766|5.856589|9.285643|4.232173|6.061807|2.812769|0.047142|0.051546|0.050225|0.052962|0.061414|0.077490|0.062242|0.103979|0.091011|0.118069|0.208033|0.124379|0.097909|0.105388|0.127745|0.098598|0.079291|0.087856|0.085960|0.303556|0.500000| |1.477298|1.614245|1.575128|1.683457|1.884916|1.955993|1.789160|14.570272|3.987799|3.251862|2.259453|3.538164|3.161958|5.774382|3.746735|0.094877|3.433821|3.068234|2.718280|2.639579|2.870449|3.289045|3.381530|2.279277|7.015994|6.352828|8.868143|17.815810|8.421275|5.836256|10.467675|4.031218|5.317695|11.994588|3.838189|6.465507|2.878288|0.038531|0.041921|0.039728|0.040529|0.045038|0.059411|0.050041|0.064362|0.057239|0.069446|0.083033|0.068837|0.074619|0.084368|0.113660|0.085614|0.058308|0.065171|0.059065|0.184243|0.135390|0.500000| |1.375538|1.469257|1.420785|1.484151|1.625504|1.700562|1.605228|12.086410|3.214725|2.724840|1.866338|2.902341|2.446131|4.283603|2.896932|0.075123|2.964834|2.739194|2.623560|2.694789|2.917677|3.079094|3.143244|2.441709|4.724274|4.030067|5.842291|8.438742|17.788864|8.833522|10.470268|6.330681|3.303814|6.368858|2.707690|4.543693|2.174261|0.035820|0.039393|0.037350|0.036945|0.039613|0.050682|0.045415|0.052025|0.048681|0.058940|0.071499|0.067006|0.079362|0.075788|0.100925|0.085727|0.062378|0.073179|0.062380|0.104909|0.099844|0.192419|0.500000| |1.496361|1.587810|1.544599|1.597691|1.714440|1.774406|1.700957|12.460809|3.177623|2.811529|2.002175|3.150630|2.561334|4.331340|2.995798|0.075246|3.516085|3.589229|3.871984|4.135946|4.044596|3.719598|3.293057|3.954655|4.352996|3.754377|4.816816|4.480738|5.804199|8.923416|12.407612|17.545462|2.737463|4.792709|2.327133|3.711522|1.838944|0.038428|0.042741|0.041443|0.040494|0.042749|0.051480|0.047669|0.054875|0.053819|0.065648|0.090046|0.100745|0.108173|0.077275|0.095060|0.091506|0.093631|0.130601|0.099993|0.091211|0.108313|0.100203|0.141670|0.500000| |1.632165|1.725611|1.649727|1.691578|1.830603|1.936050|1.871902|13.068464|3.363797|2.907275|2.068850|3.311823|2.672847|4.392197|3.270892|0.084496|3.938239|3.745578|4.020756|4.714896|5.159863|4.609404|4.229870|4.388646|4.680484|3.760548|4.825172|4.474809|5.784456|8.928161|12.474015|17.546934|2.945635|5.038306|2.547701|4.025235|1.996483|0.041684|0.047204|0.044942|0.042941|0.044665|0.056634|0.053231|0.055745|0.055277|0.070449|0.089782|0.098744|0.147253|0.094675|0.121260|0.123584|0.107359|0.146066|0.103264|0.088786|0.104743|0.100136|0.140922|0.301829|0.500000| |1.425696|1.502256|1.446908|1.488376|1.603643|1.680325|1.619683|11.600616|3.002841|2.618288|1.814459|2.834412|2.301843|3.905008|2.719035|0.070499|3.053483|2.943765|3.058633|3.340637|3.517545|3.345415|3.219127|3.204743|4.045603|3.350658|4.423145|4.618191|6.841758|8.979153|10.205543|17.591672|2.661993|4.755835|2.288573|3.730136|1.848881|0.036821|0.041028|0.039204|0.037885|0.039635|0.049164|0.045932|0.049672|0.048403|0.059099|0.074198|0.078514|0.099143|0.075643|0.095642|0.092374|0.080355|0.103284|0.080016|0.083094|0.091041|0.104940|0.189982|0.300692|0.300516|0.500000| |2.299604|2.653481|2.482330|2.707576|3.350414|3.827311|3.249571|25.529706|8.014813|5.106362|3.575518|5.983722|5.190972|8.126915|6.698548|0.254081|4.775058|3.612454|2.974305|2.919757|3.454816|4.585809|5.682387|2.394287|9.428734|4.571814|3.966866|3.582301|3.037893|3.017929|6.173748|2.581569|8.846868|10.964944|17.464504|16.642145|7.205053|0.059149|0.065994|0.059085|0.060579|0.068601|0.133300|0.092685|0.094475|0.084468|0.120554|0.094853|0.071867|0.088800|0.184876|0.182113|0.125459|0.064533|0.063672|0.061112|0.116455|0.110076|0.099547|0.075212|0.066027|0.074542|0.065520|0.500000| |2.272576|2.692975|2.624116|2.998395|3.814127|4.058658|3.241544|32.822351|11.410256|6.387229|4.556633|7.380136|6.805610|11.521719|6.875541|0.226350|4.481554|3.627919|2.902856|2.710650|3.026440|3.867521|4.144857|2.233856|9.319665|4.660178|3.685399|3.268926|2.719149|2.702690|5.625249|2.318599|8.865938|11.051949|17.515331|16.624532|7.474187|0.058874|0.063427|0.058631|0.063821|0.077409|0.139960|0.087754|0.125307|0.101242|0.134380|0.101517|0.071821|0.076023|0.128397|0.124675|0.094495|0.059598|0.058875|0.058444|0.126867|0.115424|0.092474|0.067343|0.060934|0.065665|0.058751|0.300854|0.500000| |2.113824|2.453360|2.375368|2.660743|3.278530|3.512406|2.916461|27.077624|9.495506|5.742062|3.303217|4.729811|3.784191|6.750252|3.740441|0.118392|2.922632|2.515933|2.151041|2.064449|2.276706|2.721039|3.001013|1.779966|5.198641|3.056625|2.657595|2.523874|2.178530|2.116794|4.169640|1.865016|4.797636|7.628897|7.305496|16.456046|17.524050|0.056420|0.059019|0.053774|0.058452|0.069146|0.118581|0.080366|0.091679|0.077804|0.090162|0.070220|0.054667|0.059505|0.093164|0.088847|0.073505|0.048336|0.047397|0.046908|0.086226|0.077211|0.073463|0.056009|0.049028|0.052653|0.048563|0.173367|0.224485|0.500000| 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