Version2.1 2020-12-16T00:24:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)CCN(Cc1c(noc1N(C)C(C)C)c2ccccc2)C(=S)Nc3ccc(cc3)F C36249673 RHF 6-31G(d) (6D,7F) CC(C)CCN(Cc1c(noc1N(C)C(C)C)c2ccccc2)C(=S)Nc3ccc(cc3)F C01[X(C26H33F1N4O1S1)] 192 C1 565 CC(CCN(C(=S)Nc1ccc(cc1)F)Cc1c(onc1c1ccccc1)N(C(C)C)C)C CC(CCN(C(=S)Nc1ccc(cc1)F)Cc1c(onc1c1ccccc1)N(C(C)C)C)C CC(C)CCN(Cc1c(onc1c2ccccc2)N(C)C(C)C)C(=S)Nc3ccc(F)cc3 InChIKey=IADFJEBFSOGDFC-UHFFFAOYSA-N InChI=1S/C26H33FN4OS/c1-18(2)15-16-31(26(33)28-22-13-11-21(27)12-14-22)17-23-24(20-9-7-6-8-10-20)29-32-25(23)30(5)19(3)4/h6-14,18-19H,15-17H2,1-5H3,(H,28,33) InChI=1/C26H33FN4OS/c1-18(2)15-16-31(26(33)28-22-13-11-21(27)12-14-22)17-23-24(20-9-7-6-8-10-20)29-32-25(23)30(5)19(3)4/h6-14,18-19H,15-17H2,1-5H3,(H,28,33)/f/h28H CC(C)CCN(Cc1c(noc1N(C)C(C)C)c2ccccc2)C(=S)Nc3ccc(cc3)F C01[X(C26H33F1N4O1S1)] 192 C01 565 CC(CCN(C(=S)Nc1ccc(cc1)F)Cc1c(onc1c1ccccc1)N(C(C)C)C)C CC(CC[N]([C](S)N[C]1[CH][CH][C]([CH][CH]1)F)C[C]1[C](O[N][C]1[C]1[CH][CH][CH][CH][CH]1)N(C(C)C)C)C CC(C)CCN(C[C]1[C]([N]O[C]1N(C)C(C)C)[C]2[CH][CH][CH][CH][CH]2)[C](S)N[C]3[CH][CH][C](F)[CH][CH]3 InChIKey=ZVKGGLIWHIPAML-UHFFFAOYSA-N InChI=1S/C26H34FN4OS/c1-18(2)15-16-31(26(33)28-22-13-11-21(27)12-14-22)17-23-24(20-9-7-6-8-10-20)29-32-25(23)30(5)19(3)4/h6-14,18-19,28,33H,15-17H2,1-5H3 InChI=1/C26H34FN4OS/c1-18(2)15-16-31(26(33)28-22-13-11-21(27)12-14-22)17-23-24(20-9-7-6-8-10-20)29-32-25(23)30(5)19(3)4/h6-14,18-19,28,33H,15-17H2,1-5H3 3742.5983454379 -1793.3304775 1-A 15670.8183 125 440 565 |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| -91.87255 -26.31964 -20.64895 -15.61439 -15.60934 -15.60451 -15.58896 -11.37500 -11.34633 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0.8142 0.8205 0.8508 0.8564 0.8410 0.8091 0.8181 0.7958 0.8571 0.6507 0.8534 0.8097 0.8250 0.8539 0.8412 0.8541 0.8558 0.8548 0.6986 0.8166 0.8389 0.2790 0.8367 0.6942 0.7948 0.6815 0.2499 0.7895 0.8547 0.6435 0.6905 0.6114 0.6771 0.3688 0.0107 0.0810 0.5095 0.0339 0.0659 0.1044 0.3892 0.7546 0.7669 0.7474 0.8125 0.3646 0.3564 0.7932 0.8407 0.1240 0.4986 0.8165 0.8566 0.7223 0.8227 0.8464 0.5905 0.7498 0.7694 0.2476 0.8347 0.2027 0.3958 0.2661 0.2416 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 6 6 6 6 6 7 6 6 6 7 8 6 7 6 6 6 6 6 6 6 6 6 6 6 16 7 6 6 6 6 6 6 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 15.99491 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 31.97207 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12481.6588 19582.4312 24074.2213 0.99884 0.04782 0.00515 -0.04788 0.99878 0.01235 -0.00456 -0.01259 0.99991 1 0.00694 0.00442 0.00360 0.14459 0.09216 0.07497 16.50 33.48 37.57 42.46 50.45 57.05 63.95 71.38 76.45 85.30 104.74 106.32 128.14 139.80 169.23 191.88 231.83 259.10 272.27 277.78 313.06 316.84 330.76 355.56 366.84 374.44 394.33 415.08 437.69 450.52 501.77 526.84 537.72 567.11 591.78 605.16 620.44 629.91 642.54 651.36 658.07 662.54 677.03 680.53 714.87 729.93 740.90 789.89 802.32 814.88 864.99 913.55 974.14 984.60 1007.79 1016.50 1083.48 1092.12 1108.29 1114.91 1128.15 1170.36 1189.35 1220.12 1239.94 1249.17 1279.92 1285.60 1302.47 1340.90 1346.50 1386.69 1387.32 1450.14 1456.21 1468.85 1474.51 1481.10 1500.39 1506.09 1509.72 1516.87 1542.84 1555.45 1568.78 1575.20 1577.79 1594.32 1604.72 1605.43 1611.00 1626.35 1634.83 1693.25 1702.12 1702.88 1718.44 1753.84 1762.33 1781.75 1790.03 1808.54 1827.45 1843.68 1850.90 1862.43 1872.40 1874.59 1877.74 1912.16 1917.88 1922.03 1976.98 1993.23 2005.44 2025.50 2060.90 2074.80 2083.74 2098.14 2109.03 2121.10 2159.91 2165.82 2177.23 2185.49 2210.84 2242.49 2247.78 2251.01 2260.35 2269.23 2270.52 2283.73 2306.23 2316.91 2328.37 2347.41 2347.96 2356.21 2360.85 2366.25 2368.42 2374.71 2375.53 2383.72 2386.28 2393.79 2406.89 2411.85 2416.66 2436.75 2461.15 2469.75 2553.68 2581.56 2599.78 2621.06 2622.77 4565.79 4588.13 4596.25 4604.99 4609.67 4616.44 4623.59 4638.52 4673.54 4683.15 4692.49 4697.93 4699.35 4709.03 4710.55 4727.34 4740.46 4763.56 4778.13 4781.39 4833.99 4841.78 4846.57 4847.92 4858.93 4861.86 4865.84 4877.06 4885.00 4889.70 4899.08 4905.18 5506.62 0.596352 0.627468 0.628412 0.529575 -1792.734126 -1792.703010 -1792.702066 -1792.800903 3.315009D-04 MUNgauss RevisionA2.0 retrievium 16-Dec-2020 DUDE CC(C)CCN(Cc1c(noc1N(C)C(C)C)c2ccccc2)C(=S)Nc3ccc(cc3)F C36249673 RHF 6-31G(d) (6D,10F) C1 468.235912 |X|Y|Z| 91.515067 70.512399 48.205937 67.756798 21 6 7 8 17 3 1 |36.858105| |12.427821|36.858105| |7.571418|12.436622|36.858105| |7.448716|12.392298|7.578825|36.858105| |6.123093|7.412769|4.882954|12.432926|36.858105| |4.238783|4.915066|3.805440|7.617948|12.928977|53.358707| |3.839930|4.096861|3.346589|5.831979|7.714364|17.623101|36.858105| |3.717695|3.642759|2.955080|4.626214|6.232050|10.374874|12.665300|36.858105| |3.807574|3.474902|2.872516|4.117705|4.988866|7.061819|7.244075|13.277670|36.858105| |3.341520|2.995329|2.505092|3.368937|4.067156|5.630770|5.149347|8.440365|14.814716|53.358707| |3.058559|2.843362|2.363118|3.231898|4.093901|5.928062|5.194962|8.689794|9.003608|18.936740|73.516695| |3.212731|3.121495|2.557378|3.737268|5.035938|8.036913|7.308359|13.986777|8.748164|11.734897|25.657905|36.858105| |2.816514|2.823669|2.343216|3.340268|4.473174|7.375864|5.797956|7.578825|5.363184|7.414991|14.662225|13.795350|53.358707| |2.459995|2.530098|2.166284|3.029688|3.832819|6.731543|5.473184|6.087819|4.428500|5.848056|10.031441|8.008563|17.705773|36.858105| |2.538641|2.494031|2.092788|2.805945|3.606436|5.416884|4.059280|5.089669|4.253241|6.442822|12.681629|7.856606|17.514103|7.600471|36.858105| |2.813056|2.701444|2.222230|2.936806|3.817964|5.262304|3.740750|4.629625|4.093425|6.276423|11.366364|6.413766|10.486252|5.015782|12.445659|36.858105| |2.201399|2.212668|1.894534|2.468427|3.071976|4.656730|3.360826|3.821447|3.230530|4.692625|8.128777|5.080002|10.434694|6.707670|12.457067|7.641134|36.858105| |4.048441|3.589298|3.072107|4.144433|4.463674|5.982299|5.824414|7.233928|12.832320|10.845630|9.582071|5.236707|5.191366|3.380179|3.197514|3.156808|2.583906|36.858105| |4.440909|3.633165|3.138531|3.862996|3.993344|4.973877|4.327167|5.110747|7.657639|8.756951|8.008602|4.166280|4.373254|2.813529|2.844254|2.934853|2.330055|13.696258|36.858105| |4.090574|3.379418|3.100071|3.471163|3.358487|4.196855|3.541930|3.856398|5.062503|6.040422|6.059145|3.231042|3.574911|2.377576|2.359793|2.423378|1.996485|7.913192|13.759288|36.858105| |3.552044|3.139918|2.999328|3.325446|3.124924|4.054003|3.484012|3.596726|4.464133|5.175198|5.401064|2.972516|3.346770|2.299134|2.180838|2.186317|1.877119|6.845270|7.933289|13.744866|36.858105| |3.337896|3.107345|2.937821|3.494063|3.329985|4.539286|4.128818|4.142411|5.047590|5.520492|5.810964|3.293109|3.670035|2.576284|2.326570|2.271807|2.000903|7.909011|6.875853|7.944855|13.752676|36.858105| |3.521524|3.302681|2.971765|3.897244|3.948096|5.578577|5.565126|5.844351|7.611207|7.363385|7.461123|4.303396|4.552167|3.161775|2.787006|2.676950|2.337395|13.698424|7.939629|6.880640|7.937541|13.754412|36.858105| 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|3.366692|4.159495|3.490146|4.472758|4.991299|6.257659|3.394339|3.009352|2.576429|3.230351|4.499831|2.924986|4.200026|2.874673|2.809126|3.003377|2.752135|2.363202|2.234594|2.025983|1.937586|2.017225|2.223570|5.179801|27.077383|10.753224|13.729909|36.858105| |3.063534|3.564261|3.033220|3.599651|4.024243|4.980388|2.868277|2.668649|2.341988|3.015450|4.226351|2.673138|3.877235|2.614635|2.715533|2.994067|2.705124|2.144280|2.063480|1.874897|1.775089|1.823794|1.996439|3.897173|21.696358|7.024403|7.909783|13.760375|36.858105| |2.875847|3.176237|2.667747|3.248176|3.826961|4.843066|2.851590|2.751786|2.406963|3.166387|4.547986|2.862912|4.278268|2.822005|3.106655|3.525839|3.154282|2.154294|2.069638|1.856483|1.742040|1.789812|1.978877|3.681634|20.737184|6.209631|6.922290|8.021098|13.833457|36.858105| 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|17.556823|8.706741|5.483099|6.658849|6.711821|6.130147|4.058732|4.139466|4.247702|5.178545|6.242040|3.654070|4.314354|2.677745|2.880662|3.293728|2.447065|4.278849|4.690902|4.045263|3.407510|3.235993|3.540368|3.597381|19.849719|4.772575|3.627335|3.486084|3.230471|3.129517|3.227485|3.469251|6.249234|0.500000| |17.529768|8.765392|6.764441|6.805802|5.515299|5.575988|3.964177|3.861935|4.147577|4.830661|5.550232|3.237057|3.765927|2.441805|2.468918|2.676262|2.125680|4.754696|5.453695|5.190876|4.416163|4.016068|4.135903|3.343136|19.389198|4.294173|3.057424|2.940944|2.664749|2.529673|2.599039|2.845639|5.095224|0.301559|0.500000| |17.545959|8.786715|7.022332|5.448760|4.637056|4.689635|3.151504|3.091825|3.195441|3.951871|4.760786|2.759852|3.360997|2.176482|2.281043|2.543647|2.007887|3.400368|3.814288|3.663288|3.191912|2.934935|3.011670|2.961928|17.133130|4.044710|3.032207|3.082296|2.892866|2.708527|2.672376|2.812518|5.546460|0.302858|0.301488|0.500000| |8.913781|17.485304|8.930767|8.908234|6.898672|6.321027|3.716275|3.358257|3.139006|3.791460|4.838275|2.994175|3.802092|2.491002|2.510984|2.767569|2.259574|3.121726|3.145910|2.901691|2.688647|2.670182|2.857865|4.140998|22.087129|6.143326|4.687367|5.005381|4.315703|3.716813|3.573683|3.925993|7.103422|0.214038|0.173503|0.211707|0.500000| |6.844135|8.770987|17.527590|6.834480|4.486378|4.973861|3.380202|2.979532|2.961627|3.471016|4.192720|2.533550|3.111551|2.130999|2.029548|2.127000|1.827372|3.294101|3.384751|3.457964|3.431891|3.333920|3.269729|3.310258|19.960974|4.424687|2.997835|3.013131|2.635749|2.370856|2.358740|2.613719|4.742771|0.138979|0.199920|0.172895|0.173656|0.500000| |5.488088|8.751474|17.544383|6.941140|4.583650|5.111529|3.233215|2.785122|2.642042|3.146025|3.942433|2.430242|3.089707|2.135238|2.021692|2.121888|1.858312|2.774423|2.760317|2.715028|2.682899|2.692640|2.737984|3.620625|21.380116|5.198694|3.524737|3.731871|3.161350|2.708765|2.620265|2.915450|5.329552|0.122330|0.138752|0.142321|0.213129|0.301525|0.500000| |6.924941|8.767545|17.545406|5.493158|4.033276|4.363123|2.861190|2.611203|2.579115|3.135815|3.868603|2.313667|2.907471|1.968438|1.946067|2.088448|1.771732|2.751494|2.883021|2.886586|2.756563|2.638449|2.636602|2.964139|17.617695|4.188095|3.008241|3.196995|2.887337|2.548535|2.446245|2.622425|5.162609|0.141888|0.167265|0.211793|0.213727|0.301609|0.301550|0.500000| |5.476095|8.871515|7.127248|17.554342|8.899454|9.655019|5.234051|4.012452|3.497399|3.979608|5.099121|3.342143|4.229619|2.919425|2.618945|2.693643|2.369883|3.485854|3.217952|2.963253|2.920886|3.111763|3.412908|6.709249|33.702378|9.127160|5.351782|4.952847|3.782570|3.290285|3.386489|4.141221|6.121938|0.137485|0.140350|0.123202|0.213761|0.174243|0.215902|0.144029|0.500000| |6.812650|8.839047|6.891772|17.519551|8.828508|9.341646|6.263263|4.861515|4.502932|4.822810|5.822598|3.741064|4.404266|2.982074|2.694524|2.761269|2.351223|4.856103|4.424128|4.038648|3.983627|4.282299|4.754767|5.386868|29.596792|6.358290|3.988513|3.604622|2.997279|2.768048|2.922143|3.467159|5.331190|0.164729|0.203593|0.140290|0.174240|0.203901|0.170656|0.140438|0.303566|0.500000| |6.673883|6.608829|4.434182|8.795729|17.665422|12.640096|7.652557|7.504845|6.336698|6.882510|8.750809|5.887917|6.542441|3.894901|3.902617|4.244726|3.172478|5.445913|4.903571|3.883591|3.462291|3.632611|4.427765|5.791776|28.572990|6.822610|4.877267|4.080068|3.523484|3.492476|3.943196|4.749013|6.601063|0.227442|0.172766|0.136697|0.165571|0.116996|0.110777|0.105395|0.174048|0.213858|0.500000| |5.667101|6.925867|4.593731|8.837959|17.708683|12.312061|5.705805|5.036607|4.142255|4.910175|6.692269|4.529569|5.868180|3.649220|3.640882|4.015381|3.176052|3.672613|3.410898|2.918935|2.698248|2.818287|3.254701|6.966562|30.640303|9.979083|8.089875|6.451228|5.118770|4.833464|5.394298|6.974270|8.442580|0.178741|0.132887|0.126094|0.211483|0.112000|0.122269|0.109675|0.208543|0.173707|0.306759|0.500000| |3.183025|3.431242|2.934985|4.663804|5.661951|12.535181|17.745893|8.879962|5.745836|6.025563|8.203684|6.373129|7.623300|6.092218|3.903810|3.428675|3.361793|4.794177|3.641823|3.095373|3.134481|3.776635|4.934670|7.668828|54.891908|6.739783|3.985158|3.163031|2.679228|2.667800|3.096069|3.912680|5.123709|0.091980|0.091028|0.074862|0.088209|0.082620|0.080611|0.070539|0.124820|0.137987|0.150090|0.127827|0.500000| |4.149221|4.420445|3.696174|6.447310|7.142021|12.475190|17.611058|9.010768|7.018786|6.549370|7.926853|5.562353|6.038448|4.228971|3.363348|3.194076|2.836705|6.757841|4.874840|4.076846|4.142129|5.112625|7.052506|6.343651|38.387641|6.183635|3.760184|3.132869|2.656167|2.588897|2.901055|3.548250|5.006222|0.116902|0.124563|0.093367|0.106143|0.107543|0.097929|0.086148|0.156231|0.221096|0.198953|0.143055|0.306805|0.500000| |2.223383|2.253199|1.961497|2.640897|3.215795|5.379517|4.508958|5.173716|4.120332|5.669874|9.632129|6.696273|12.200351|17.500193|6.848280|4.485570|6.243454|3.202574|2.680966|2.284776|2.220190|2.488456|3.028831|3.733970|26.961184|4.278043|3.003474|2.470564|2.284395|2.460203|2.978283|3.422591|4.953733|0.066841|0.061936|0.055248|0.061328|0.054050|0.053557|0.049924|0.070594|0.073318|0.092193|0.084920|0.139420|0.102467|0.500000| |2.314553|2.419076|2.085977|2.867615|3.586458|6.214755|4.617104|4.758759|3.619820|4.791202|7.892512|5.827451|12.359395|17.663154|6.785606|4.718970|7.402101|2.891705|2.475222|2.131281|2.067058|2.289435|2.734027|4.637632|32.788653|5.411063|3.846781|3.022925|2.761673|3.015299|3.818389|4.604927|5.902209|0.069588|0.062987|0.057428|0.067266|0.056441|0.057764|0.052879|0.078429|0.076944|0.098063|0.098187|0.142179|0.102088|0.299872|0.500000| |2.574742|2.690912|2.314078|3.328087|4.170607|7.902481|6.946331|6.900842|4.733741|5.825187|9.249678|7.585679|12.391040|17.694472|5.574096|4.190453|4.917762|3.670041|2.965161|2.516316|2.476184|2.841291|3.544199|5.514516|40.701189|5.701168|3.742046|2.942801|2.605130|2.731488|3.322108|4.114468|5.316169|0.076698|0.071722|0.062630|0.072503|0.063749|0.063668|0.057666|0.089806|0.092537|0.115174|0.106186|0.244020|0.142593|0.301164|0.305189|0.500000| |2.363993|2.286043|1.946486|2.543426|3.160542|4.690372|3.675700|4.723581|4.232371|6.812455|13.721559|7.119404|12.306150|6.506714|17.524863|8.885003|8.943336|3.193838|2.850413|2.365925|2.183964|2.325993|2.781562|3.068316|19.841666|3.763227|2.864010|2.433680|2.359975|2.652345|3.239664|3.426213|5.510280|0.073969|0.064835|0.059453|0.063217|0.052991|0.052009|0.050539|0.065756|0.069149|0.096228|0.086873|0.099186|0.087019|0.188413|0.154798|0.138040|0.500000| |2.509127|2.396375|2.009583|2.544588|3.172333|4.322173|3.086969|3.703387|3.422580|5.312332|9.033784|4.820308|7.606306|4.124261|8.846386|17.557350|7.042260|2.749429|2.613768|2.201637|1.989343|2.045882|2.363855|2.849010|17.478524|3.737816|3.062083|2.690485|2.751526|3.268630|4.021744|3.820957|7.040699|0.080641|0.066372|0.064334|0.068557|0.053468|0.053409|0.053113|0.065485|0.066764|0.096489|0.093104|0.080008|0.075223|0.107490|0.110946|0.096781|0.214758|0.500000| |3.136402|2.909731|2.363050|3.131894|4.082209|5.401201|3.941022|5.147786|4.817573|7.756628|14.009364|7.031126|9.422530|4.538455|8.718504|17.631834|5.512273|3.629695|3.425665|2.752210|2.425869|2.493358|2.961393|3.318429|19.607960|4.205222|3.368672|2.902179|2.864194|3.271952|3.993475|4.075895|6.759342|0.104600|0.083425|0.078170|0.081639|0.063169|0.061693|0.061717|0.077790|0.082575|0.133290|0.116425|0.097100|0.095024|0.114373|0.113782|0.110583|0.210824|0.303017|0.500000| |2.978886|2.927222|2.374496|3.181349|4.240576|5.740241|3.816236|4.439201|3.795752|5.475416|9.209601|5.692486|9.474707|4.786408|8.812125|17.564950|6.955181|3.007262|2.806679|2.346070|2.129147|2.210835|2.583680|3.726621|21.432011|4.956796|4.261720|3.563942|3.596690|4.411035|6.017391|5.821070|8.860143|0.097249|0.076935|0.074658|0.085244|0.062165|0.063379|0.061869|0.081657|0.080826|0.126839|0.130551|0.096464|0.090033|0.113866|0.131553|0.114299|0.173673|0.300900|0.301274|0.500000| |2.028672|2.050121|1.781653|2.302158|2.802594|4.344473|3.223778|3.602953|3.058304|4.401943|7.451497|4.655517|9.191144|7.219144|8.695719|5.509335|17.597090|2.475749|2.210368|1.912096|1.821232|1.959896|2.285457|3.110296|21.185998|3.917704|2.988413|2.511010|2.437848|2.769935|3.453376|3.662479|5.733063|0.061746|0.054991|0.051486|0.057644|0.048107|0.048790|0.046204|0.061970|0.061708|0.079681|0.078971|0.092539|0.076019|0.207507|0.230532|0.143325|0.214791|0.143892|0.122348|0.140332|0.500000| |2.062936|2.051515|1.769223|2.237468|2.727826|3.993071|2.873786|3.261924|2.879303|4.260750|7.158525|4.187492|7.609243|4.893593|8.903517|7.185694|17.571158|2.353747|2.168706|1.873990|1.752903|1.845115|2.124488|2.801971|18.227591|3.663721|2.930142|2.530057|2.550590|3.007003|3.760736|3.685004|6.426542|0.063739|0.055194|0.052928|0.058501|0.047340|0.048082|0.046431|0.059589|0.059190|0.078734|0.079047|0.079017|0.069133|0.132714|0.145313|0.107165|0.214246|0.219913|0.144759|0.177305|0.303328|0.500000| |2.263960|2.320464|1.979201|2.600741|3.266282|4.982903|3.423736|3.711545|3.070314|4.309492|7.186230|4.693984|9.494486|6.332888|8.758583|6.824202|17.546668|2.494280|2.255260|1.946059|1.837109|1.957866|2.274080|3.607783|23.005485|4.744013|3.852356|3.153457|3.106202|3.706487|5.021019|5.208193|7.489371|0.069686|0.060005|0.057303|0.066694|0.052521|0.054378|0.051288|0.070241|0.067669|0.091126|0.096178|0.095147|0.079812|0.150659|0.216146|0.135481|0.173698|0.169517|0.139466|0.203861|0.300810|0.301658|0.500000| |4.604491|3.612935|3.047737|3.706139|3.966528|4.797116|3.991982|4.887518|7.113722|9.343190|8.539585|4.245619|4.478580|2.793702|2.999514|3.206144|2.425498|8.927983|17.738940|8.909909|5.642793|4.955213|5.651588|2.827479|17.409537|3.444176|2.480341|2.268963|2.127283|2.159110|2.336918|2.521269|4.460347|0.143259|0.150222|0.111539|0.088962|0.088766|0.074139|0.079200|0.085494|0.112192|0.139237|0.097009|0.093217|0.118476|0.073810|0.068638|0.079832|0.083633|0.079605|0.107160|0.084452|0.063022|0.063334|0.064941|0.500000| |3.981613|3.204034|2.988357|3.145108|3.021035|3.714121|3.021900|3.273408|4.123884|5.199674|5.390932|2.847593|3.227681|2.141515|2.179214|2.273509|1.861879|5.637605|8.931678|17.718615|8.909332|5.647378|4.956073|2.317109|14.851056|2.877118|2.036596|1.920558|1.799214|1.781717|1.871579|2.005081|3.721297|0.108745|0.138460|0.103471|0.077405|0.091941|0.072193|0.079445|0.075260|0.098589|0.096060|0.074863|0.074151|0.094108|0.057313|0.053962|0.062164|0.060752|0.058155|0.071657|0.061300|0.049366|0.049066|0.050483|0.215127|0.500000| |3.199278|2.862834|2.833530|2.958322|2.732017|3.541856|2.958622|2.998680|3.565704|4.277545|4.615849|2.546240|2.941125|2.041740|1.942083|1.951107|1.697573|4.937574|5.643520|8.909447|17.717182|8.913625|5.645311|2.277308|15.270579|2.785154|1.906624|1.791809|1.649970|1.611726|1.691556|1.842394|3.343322|0.083870|0.108623|0.082254|0.068694|0.090849|0.070834|0.073511|0.073692|0.096783|0.082260|0.066752|0.075402|0.095980|0.055006|0.051610|0.060783|0.054040|0.049840|0.059537|0.053017|0.045892|0.044317|0.046290|0.124075|0.214708|0.500000| |2.929549|2.817138|2.740509|3.173823|2.983370|4.157217|3.724386|3.595135|4.110547|4.633953|5.088884|2.924466|3.354889|2.415804|2.133481|2.062052|1.868473|5.636201|4.953767|5.646497|8.909215|17.720390|8.929933|2.690024|18.872549|3.153881|2.082916|1.906860|1.720557|1.680081|1.793533|2.004557|3.435487|0.078105|0.095501|0.072666|0.067945|0.086675|0.071187|0.068494|0.081041|0.106975|0.087611|0.071030|0.098566|0.126530|0.065231|0.060226|0.074487|0.059226|0.051934|0.061880|0.055998|0.051309|0.047893|0.050964|0.107567|0.124093|0.214709|0.500000| |3.150441|3.079970|2.784189|3.746863|3.873799|5.871638|6.248858|6.183989|7.019096|6.881137|7.454824|4.500550|4.826893|3.495520|2.878585|2.678467|2.436441|8.897550|5.642994|4.956321|5.650732|8.935008|17.718530|3.593811|25.146890|3.944324|2.561257|2.243551|1.998306|1.982819|2.187126|2.516110|3.987242|0.088282|0.099059|0.075268|0.075289|0.083953|0.072994|0.068305|0.094113|0.124809|0.116392|0.088917|0.165441|0.217862|0.093386|0.082998|0.112599|0.079658|0.065453|0.080607|0.071880|0.067120|0.060792|0.065871|0.124176|0.107583|0.124261|0.216034|0.500000| |2.962891|3.654618|3.222390|4.609608|5.055155|8.220864|4.349712|3.444457|2.798368|3.381317|4.712653|3.212443|4.643232|3.487057|2.874603|2.804894|2.829464|2.561398|2.301941|2.090855|2.071552|2.251539|2.523000|9.785303|53.646758|25.992892|9.388841|6.949370|4.735760|4.131809|4.476957|6.206360|7.248863|0.083068|0.076883|0.073043|0.106569|0.082422|0.097949|0.078193|0.154791|0.110794|0.111009|0.147961|0.121867|0.109081|0.081431|0.103082|0.106438|0.069760|0.068591|0.075045|0.087811|0.075113|0.069442|0.089212|0.062593|0.053658|0.052917|0.060312|0.073826|0.500000| |3.378590|4.361982|3.836915|4.621105|4.679958|5.830807|3.227768|2.803954|2.437354|3.025200|4.131476|2.661195|3.736837|2.603174|2.482624|2.618660|2.418741|2.290495|2.175282|2.003767|1.936714|2.014263|2.189468|4.896496|26.586111|9.960655|8.941683|17.726518|8.919231|5.681005|4.957045|5.654560|9.603153|0.093640|0.082277|0.086641|0.146039|0.090535|0.119241|0.096981|0.150927|0.103243|0.105383|0.157285|0.084031|0.085208|0.062949|0.075197|0.075269|0.060841|0.065668|0.071353|0.083841|0.062300|0.062014|0.075472|0.060707|0.052853|0.050106|0.053283|0.061286|0.193158|0.500000| |2.878605|3.327671|2.936359|3.231964|3.441377|4.230141|2.514199|2.351862|2.108436|2.726730|3.771125|2.342250|3.350861|2.279265|2.371765|2.610621|2.365235|1.963310|1.912728|1.761283|1.671007|1.702714|1.838798|3.281024|18.978143|5.687332|5.621133|8.860260|17.744681|8.959864|5.647256|4.945394|16.689438|0.082851|0.069576|0.077459|0.112354|0.070531|0.085595|0.079489|0.094568|0.075846|0.085241|0.116785|0.065529|0.065896|0.056224|0.066413|0.063225|0.058279|0.067838|0.070117|0.084945|0.059825|0.062804|0.074089|0.054765|0.047354|0.043508|0.044804|0.050874|0.110217|0.213047|0.500000| |2.657881|2.796562|2.331094|2.978556|3.728627|5.027882|3.079495|3.133436|2.686289|3.642631|5.527826|3.505211|5.659574|3.583569|4.410939|5.168087|4.721947|2.301776|2.174532|1.907503|1.778516|1.844356|2.082733|3.694689|21.273085|5.626650|5.629121|4.958801|5.651289|8.971051|17.746006|8.865731|16.728980|0.082632|0.066888|0.068361|0.085843|0.059420|0.064421|0.061271|0.081213|0.073038|0.099579|0.124184|0.080781|0.074889|0.085650|0.109125|0.091004|0.098956|0.132531|0.120902|0.199193|0.107442|0.125069|0.166577|0.063570|0.050435|0.045255|0.047820|0.058483|0.102873|0.107635|0.124695|0.500000| 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