Version2.0 2020-04-13T09:27:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 09-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1C)n2c3c(c(n2)C(C)(C)C)[C@@H](SCC(=O)N3CC(=O)NCCOC)c4cccs4 C37424486 RHF 6-31G(d) (6D,7F) Cc1cccc(c1C)n2c3c(c(n2)C(C)(C)C)[C@@H](SCC(=O)N3CC(=O)NCCOC)c4cccs4 C01[X(C27H34N4O3S2)] 204 C1 616 COCCNC(=O)CN1C(=O)CS[C@H](c2c1n(nc2C(C)(C)C)c1cccc(c1C)C)c1cccs1 COCCNC(=O)CN1C(=O)CS[C@H](c2c1n(nc2C(C)(C)C)c1cccc(c1C)C)c1cccs1 COCCNC(=O)CN1C(=O)CS[C@@H](c2sccc2)c3c(nn(c4cccc(C)c4C)c13)C(C)(C)C InChIKey=UYOYTQYEUZHWDJ-DEOSSOPVSA-N InChI=1S/C27H34N4O3S2/c1-17-9-7-10-19(18(17)2)31-26-23(25(29-31)27(3,4)5)24(20-11-8-14-35-20)36-16-22(33)30(26)15-21(32)28-12-13-34-6/h7-11,14,24H,12-13,15-16H2,1-6H3,(H,28,32)/t24-/m0/s1 InChI=1/C27H34N4O3S2/c1-17-9-7-10-19(18(17)2)31-26-23(25(29-31)27(3,4)5)24(20-11-8-14-35-20)36-16-22(33)30(26)15-21(32)28-12-13-34-6/h7-11,14,24H,12-13,15-16H2,1-6H3,(H,28,32)/t24-/m0/s1/f/h28H Cc1cccc(c1C)n2c3c(c(n2)C(C)(C)C)[C@@H](SCC(=O)N3CC(=O)NCCOC)c4cccs4 C01[X(C27H34N4O3S2)] 204 C01 616 COCCNC(=O)CN1C(=O)CS[C@H](c2c1n(nc2C(C)(C)C)c1cccc(c1C)C)c1cccs1 COCCNC(=O)CN1C(=O)CS[C@H]([C@@H]2[C@H]1N(N[C@@H]2C(C)(C)C)c1cccc(c1C)C)c1cccs1 COCCNC(=O)CN1[C@H]2[C@H]([C@H](NN2c3cccc(C)c3C)C(C)(C)C)[C@@H](SCC1=O)c4sccc4 InChIKey=CXKZKOOMGZYOEX-ASDGIDEWSA-N InChI=1S/C27H38N4O3S2/c1-17-9-7-10-19(18(17)2)31-26-23(25(29-31)27(3,4)5)24(20-11-8-14-35-20)36-16-22(33)30(26)15-21(32)28-12-13-34-6/h7-11,14,23-26,29H,12-13,15-16H2,1-6H3,(H,28,32)/t23-,24-,25-,26+/m0/s1 InChI=1/C27H38N4O3S2/c1-17-9-7-10-19(18(17)2)31-26-23(25(29-31)27(3,4)5)24(20-11-8-14-35-20)36-16-22(33)30(26)15-21(32)28-12-13-34-6/h7-11,14,23-26,29H,12-13,15-16H2,1-6H3,(H,28,32)/t23-,24-,25-,26+/m0/s1/f/h28H 4542.5861418343 -2279.6179021 1-A 19869.1190 140 476 616 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 16617.8234 22283.5090 31201.6085 0.99932 -0.03637 -0.00550 0.03633 0.99932 -0.00578 0.00570 0.00557 0.99997 1 0.00521 0.00389 0.00278 0.10860 0.08099 0.05784 13.18 30.28 38.26 39.83 48.80 72.23 78.80 87.22 93.33 106.01 112.96 119.55 130.90 144.08 153.82 161.44 172.06 182.72 208.52 242.77 261.93 264.27 279.25 308.53 325.65 337.90 349.60 354.09 373.72 377.12 388.75 417.46 421.41 434.49 440.71 459.27 485.78 491.57 503.45 529.06 535.34 556.44 567.27 605.35 626.77 649.32 695.11 717.53 750.03 769.84 775.28 801.20 805.78 811.52 826.92 855.85 874.28 895.93 914.71 945.23 948.61 962.85 1012.05 1026.08 1100.38 1134.84 1151.39 1158.07 1164.68 1166.99 1200.58 1214.86 1240.66 1258.08 1268.11 1288.67 1299.54 1310.18 1329.21 1331.75 1356.07 1422.14 1425.18 1440.79 1459.41 1463.19 1469.51 1480.25 1508.92 1510.88 1514.46 1559.03 1579.62 1587.27 1627.39 1653.31 1656.94 1659.43 1664.49 1665.70 1698.12 1703.07 1716.67 1721.47 1750.21 1758.80 1769.22 1783.93 1797.92 1834.65 1851.57 1860.18 1870.21 1874.21 1908.31 1923.11 1942.30 1944.70 1950.13 1966.20 1991.20 1996.93 2000.85 2013.99 2025.16 2042.21 2050.22 2076.02 2082.05 2164.82 2176.26 2184.22 2197.92 2234.76 2238.52 2249.17 2252.18 2262.60 2266.69 2279.12 2281.05 2304.33 2322.11 2326.30 2332.82 2334.60 2343.88 2347.97 2351.91 2352.00 2353.24 2362.39 2364.47 2367.32 2371.23 2373.26 2375.53 2377.30 2380.22 2382.74 2398.61 2411.56 2427.41 2474.24 2527.58 2539.88 2571.97 2596.22 2808.30 2825.60 4567.44 4587.15 4610.88 4612.96 4613.20 4620.24 4628.94 4630.18 4650.67 4655.10 4686.79 4688.80 4692.31 4705.32 4705.97 4714.43 4717.06 4728.48 4748.69 4756.27 4761.66 4781.06 4787.84 4790.19 4790.75 4797.83 4823.09 4834.63 4861.38 4885.04 4887.12 4910.84 4950.36 5578.87 0.622357 0.656942 0.657886 0.552525 -2278.995545 -2278.960960 -2278.960016 -2279.065378 3.533859D-04 MUNgauss RevisionA2.0 retrievium 13-Apr-2020 DUDE Cc1cccc(c1C)n2c3c(c(n2)C(C)(C)C)[C@@H](SCC(=O)N3CC(=O)NCCOC)c4cccs4 C37424486 RHF 6-31G(d) (6D,10F) C1 526.207235 |X|Y|Z| 102.055992 84.520258 48.062641 74.565108 21 6 7 16 16 3 2 |36.858105| |12.594182|36.858105| |7.602295|13.738621|36.858105| |5.022869|7.882800|13.755009|36.858105| |4.434256|6.842936|7.983858|13.820437|36.858105| |5.016985|7.944682|6.937772|7.966189|13.732626|36.858105| |7.512998|13.580165|7.900109|6.799399|7.847371|13.681855|36.858105| |6.477150|7.531795|5.013578|4.415803|4.989378|7.513913|12.596166|36.858105| |3.827012|5.133085|4.567407|5.176768|7.896947|13.363793|7.798690|6.567692|53.358707| |3.162681|3.998159|3.710171|4.236866|5.980731|7.601333|5.394956|4.951245|19.282751|36.858105| |2.706947|3.251762|3.010543|3.341728|4.381195|5.290581|4.204803|4.197588|11.770716|13.934225|36.858105| |2.848160|3.403964|3.085072|3.356753|4.355811|5.469633|4.477514|4.613524|12.146348|8.643011|13.219182|36.858105| |3.473479|4.350263|3.829461|4.153706|5.628978|7.959656|6.172464|6.062038|19.422439|8.665434|8.488782|14.621462|53.358707| |2.470412|2.826295|2.584260|2.751985|3.358573|3.965318|3.504286|3.719502|7.262119|5.122854|6.993298|12.455270|10.703935|36.858105| |2.134298|2.436216|2.309225|2.511876|3.027245|3.342458|2.901603|2.941902|5.827434|4.361488|5.837574|7.611199|7.445248|12.384674|36.858105| |2.604057|2.940915|2.670296|2.788451|3.310821|3.886048|3.577681|3.803822|6.490870|4.145627|4.847804|7.590566|9.729490|12.379748|7.658159|36.858105| |2.283101|2.523045|2.277327|2.363143|2.790913|3.294987|3.074556|3.442623|5.732968|4.234631|5.636759|7.507374|7.447634|12.386164|7.535513|7.672833|36.858105| |2.279759|2.652290|2.508372|2.765785|3.434936|3.856355|3.238109|3.257434|7.169875|7.739552|12.555377|6.863025|6.907113|5.233355|5.055914|3.756310|4.840495|36.858105| |2.324678|2.694466|2.541951|2.781330|3.412338|3.831956|3.271596|3.297471|6.832464|7.585060|9.193881|5.511121|6.142999|4.230469|3.964506|3.244312|4.071456|17.663922|0.500000| |2.031508|2.368651|2.335389|2.650922|3.242862|3.348525|2.770213|2.655547|5.736345|5.622912|6.825451|4.880296|5.435389|4.096730|4.535882|3.176438|3.615893|10.311574|0.224377|388.023441| |2.291376|2.766090|2.815352|3.358941|4.272069|4.130296|3.220926|2.904605|6.852192|6.805343|6.414513|4.722841|5.867448|3.701613|3.877004|3.066158|3.131300|6.797707|0.177312|74.416824|36.858105| |2.539129|3.099694|3.137935|3.726547|4.749937|4.654771|3.631187|3.231223|7.426768|7.883474|6.128954|4.403372|5.787522|3.347975|3.266646|2.836443|2.941326|6.231708|0.194159|48.232212|12.539014|36.858105| |2.368920|2.830101|2.910796|3.404110|4.054508|3.865712|3.182191|2.848147|5.720373|5.435925|4.493865|3.464733|4.620403|2.773580|2.725715|2.409730|2.510016|4.770996|0.153141|37.789142|7.992616|15.924927|73.516695| |3.017824|3.788568|3.675024|4.282754|5.771457|6.319944|4.732607|4.181276|10.753822|13.604067|7.651138|5.319062|7.341952|3.756290|3.422908|3.182935|3.293336|6.486879|0.207490|39.175043|7.707471|13.847589|15.152404|53.358707| |3.263440|4.016033|3.822058|4.208236|5.157383|5.721903|4.849764|4.352479|8.197281|7.654969|5.268572|4.128504|5.916090|3.112908|2.794324|2.742978|2.865810|4.760039|0.159248|28.683487|5.018280|7.916568|12.779276|17.884947|36.858105| |2.738920|3.155511|2.975104|3.156002|3.655821|4.029873|3.677805|3.595030|5.977772|5.569819|4.578949|3.569815|4.816735|2.829571|2.570684|2.458713|2.734971|4.682936|0.170410|27.568987|4.300997|6.228999|11.268314|10.488914|12.478446|36.858105| |2.490812|2.826707|2.637330|2.788912|3.258939|3.656635|3.339474|3.401600|5.753294|5.561241|5.062201|3.804169|4.868772|3.044094|2.765134|2.566433|3.025670|5.664101|0.228130|30.693566|4.335986|5.784950|9.870413|9.272109|7.985322|15.858550|73.516695| |2.610996|2.917118|2.788721|2.894689|3.182311|3.391040|3.229068|3.148122|4.739109|4.071545|3.464836|2.869676|3.937957|2.367470|2.176355|2.114360|2.310523|3.539614|0.120702|22.164518|3.447811|4.681792|9.206706|7.146007|7.881747|14.156387|15.062989|53.358707| |2.229658|2.416194|2.311345|2.373111|2.566780|2.720772|2.633316|2.637304|3.843510|3.251699|2.940335|2.481511|3.337660|2.118335|1.970484|1.894380|2.115668|3.120165|0.105029|19.812593|2.921850|3.695967|7.274753|5.326810|5.021374|7.787964|12.100506|17.903486|36.858105| |2.189290|2.306701|2.207649|2.214583|2.323130|2.445033|2.439879|2.453739|3.348417|2.712596|2.458138|2.152711|2.946370|1.870518|1.736454|1.709875|1.873723|2.534662|0.081884|16.308889|2.419302|2.957478|5.742295|4.286783|3.977559|5.204439|8.131365|10.683140|12.580749|36.858105| |2.203312|2.330452|2.283670|2.299722|2.364662|2.421987|2.406329|2.348371|3.235966|2.586883|2.306234|2.035161|2.822576|1.766909|1.653727|1.632053|1.741159|2.346421|0.074583|15.565025|2.379619|2.920661|5.817328|4.153689|3.856039|4.627533|6.918924|9.356799|8.076878|13.629902|73.516695| |2.102261|2.169666|2.131358|2.109473|2.123139|2.164609|2.190877|2.147219|2.852688|2.225935|2.004151|1.808429|2.525375|1.593017|1.492012|1.491903|1.574272|2.016804|0.062771|13.450044|2.044789|2.436999|4.758207|3.469198|3.116327|3.525774|5.463580|6.374348|5.220036|8.113405|24.291883|36.858105| |2.027663|2.285120|2.143983|2.304138|2.752593|3.083843|2.730614|2.853534|5.409033|5.021504|7.267345|5.540760|5.605857|5.077423|5.026058|3.607073|5.422445|12.631804|0.255436|49.364860|4.569684|4.221636|6.335041|5.926285|3.608659|3.757827|8.232772|4.101275|2.801496|2.321821|3.766659|1.847846|36.858105| |1.805292|2.012229|1.909916|2.051362|2.406713|2.629428|2.351031|2.437377|4.445199|3.878838|5.222649|4.525983|4.725305|4.646842|5.145635|3.396923|5.023732|7.341101|0.160640|43.087832|3.941800|3.475418|5.377862|4.688102|2.911693|2.999402|6.289377|3.418325|2.382136|2.020461|3.314273|1.648709|14.131587|36.858105| |1.667051|1.821605|1.718566|1.814547|2.084257|2.281652|2.100905|2.219828|3.737833|3.140730|3.969483|3.643002|3.986021|3.881446|4.100811|3.006762|4.571078|5.009270|0.122712|29.925156|3.061934|2.823418|4.514673|3.869823|2.520122|2.653412|5.553646|3.109092|2.223481|1.915962|3.114764|1.564747|8.188703|13.262025|36.858105| |1.727772|1.871089|1.743336|1.817822|2.078401|2.311088|2.166241|2.339252|3.767808|3.163168|3.915431|3.568669|3.975701|3.684896|3.597828|2.904369|4.545198|4.825366|0.126117|26.668542|2.876717|2.777667|4.478593|3.917463|2.627455|2.841212|6.085606|3.330949|2.411594|2.074296|3.312958|1.661284|7.670002|8.239110|14.176990|36.858105| |2.005351|2.201077|2.025906|2.115665|2.462934|2.808120|2.611831|2.850854|4.721347|4.158387|5.269944|4.422675|4.848162|4.148499|3.781993|3.176454|4.963157|6.814152|0.190185|31.414050|3.434107|3.462774|5.463600|5.088442|3.405583|3.775468|8.611336|4.217360|2.987196|2.488919|3.914070|1.925875|10.949120|7.471139|7.471194|11.052051|388.023441| |17.538138|8.803337|5.953924|4.312915|3.954432|4.541897|6.579480|6.396530|4.932622|3.101699|2.659190|2.739357|4.432511|2.371329|2.046356|2.448025|2.238268|2.273655|0.065366|14.247896|2.237455|2.520648|4.226894|4.102462|3.383716|2.900630|4.655732|3.828520|2.403734|2.395401|4.263718|2.300803|2.033650|1.799426|1.672824|1.752106|14.569668|0.500000| |17.554665|8.813414|5.846747|4.274687|3.964458|4.604938|6.741509|6.689627|5.024362|3.021938|2.660840|2.881598|4.797360|2.556031|2.181534|2.765174|2.375760|2.230144|0.062424|14.025995|2.182012|2.369397|3.896252|3.810579|2.949026|2.525699|4.177687|3.244055|2.068341|2.022370|3.572106|1.919341|2.012418|1.802719|1.674755|1.736734|14.216445|0.302608|0.500000| |17.588728|8.864721|7.360767|4.796968|3.992776|4.191278|5.559636|4.750759|4.445552|2.768479|2.395313|2.501395|4.065183|2.204767|1.944830|2.328332|2.037913|2.054969|0.058136|13.305421|2.117376|2.328651|3.917808|3.666121|2.898764|2.463853|3.979308|3.252340|2.064128|2.049658|3.721513|2.024738|1.837313|1.653799|1.531706|1.578834|12.865947|0.302242|0.302050|0.500000| |7.096487|8.944091|17.709983|8.942993|5.672586|4.984969|5.630728|4.090274|4.942261|3.076104|2.574269|2.631321|4.304001|2.266087|2.053419|2.354049|2.026322|2.202075|0.062095|14.776473|2.469455|2.725065|4.598133|4.207785|3.248821|2.629798|4.164079|3.441563|2.136072|2.077747|3.863856|2.065441|1.914077|1.724608|1.566848|1.589163|12.965314|0.156148|0.151647|0.228934|0.500000| |4.101277|5.622629|8.904441|17.724204|8.933376|5.655090|4.914215|3.535084|5.707337|3.639703|2.964097|2.945629|4.762507|2.476459|2.322671|2.503598|2.137878|2.532268|0.070630|17.856588|3.205700|3.488562|5.824663|5.148035|3.691165|2.861181|4.513861|3.638663|2.225073|2.088470|3.907983|2.030428|2.127902|1.920553|1.702410|1.693519|13.825405|0.100150|0.099032|0.114264|0.215476|0.500000| |3.547774|4.938588|5.658038|8.910943|17.740206|8.937415|5.617625|4.082506|9.945842|6.221922|4.625445|4.446506|7.353285|3.427494|3.215308|3.292228|2.797603|3.683902|0.100035|26.109518|5.207657|5.520737|8.125089|8.411039|5.011876|3.612503|5.806630|4.232801|2.529897|2.256304|4.087727|2.049830|2.887782|2.542406|2.165006|2.125851|17.793853|0.090064|0.090395|0.090835|0.124371|0.214232|0.500000| |6.096559|6.450705|4.506373|3.959113|4.359209|6.066592|8.853120|17.544582|7.537171|4.210515|3.795268|4.423136|7.894739|3.796973|2.965705|4.139652|3.521541|2.975213|0.081710|17.505509|2.641946|2.836123|4.461581|4.788379|3.533075|3.015348|5.186036|3.643999|2.305113|2.162746|3.687407|1.920221|2.678736|2.337946|2.150365|2.252237|18.995836|0.157637|0.199799|0.127692|0.105597|0.090198|0.101685|0.500000| |7.084279|6.960058|4.674796|3.964358|4.224174|5.713139|8.850172|17.576761|6.809484|4.151487|3.569553|3.751945|6.208205|3.133828|2.552974|3.169716|3.007870|2.920015|0.083940|17.123046|2.614621|2.953690|4.763621|5.097736|4.139256|3.553867|5.900984|4.391000|2.724075|2.596474|4.402525|2.288972|2.605337|2.238024|2.071385|2.207757|19.046113|0.225058|0.197165|0.140910|0.110623|0.090311|0.097644|0.302148|0.500000| |4.777795|5.575249|4.178188|3.951935|4.708670|7.140926|8.817755|17.648482|10.440257|5.986738|5.164110|5.647321|9.801799|4.331789|3.300592|4.189176|4.077706|3.869438|0.108988|21.236746|3.187923|3.556300|5.457063|6.464402|4.823775|4.051222|7.036945|4.631928|2.844773|2.579996|4.302658|2.178043|3.366871|2.796309|2.527891|2.694595|24.164903|0.134671|0.134887|0.104751|0.096191|0.090042|0.112308|0.303560|0.301913|0.500000| |2.173714|2.515972|2.430421|2.695862|3.273340|3.503385|2.967601|2.901328|5.991749|4.362990|5.443281|6.916677|7.514477|8.764589|17.546541|7.026329|5.480827|4.596725|0.102519|31.980810|4.118419|3.364478|4.968247|4.716618|2.792048|2.509381|4.694382|2.908592|1.918430|1.697099|2.906906|1.477726|4.250210|4.276236|3.436907|3.052195|23.096956|0.057230|0.061416|0.055388|0.059919|0.069784|0.098852|0.081178|0.069603|0.088351|0.500000| |1.962227|2.196062|2.083149|2.234304|2.620002|2.862670|2.561717|2.628164|4.764226|3.511762|4.439638|5.518849|5.932612|8.792549|17.538091|6.996923|6.954909|4.054819|0.092189|26.535576|3.206448|2.760173|4.207409|3.904781|2.420513|2.262998|4.320577|2.656171|1.791836|1.596320|2.702597|1.382749|4.270018|4.624226|3.956279|3.436664|24.276523|0.052322|0.056153|0.050022|0.052113|0.057877|0.076396|0.074785|0.064302|0.080663|0.301270|0.500000| |2.024241|2.308396|2.201982|2.408224|2.902177|3.170276|2.737413|2.767435|5.554913|4.466895|6.284233|6.893607|6.594046|8.709963|17.635997|5.517600|6.750029|6.153120|0.126924|40.040131|4.313164|3.528295|5.213738|4.889001|2.893201|2.716898|5.299532|3.103877|2.077633|1.807668|3.046011|1.534657|6.404224|6.972610|5.011018|4.161373|30.777828|0.054485|0.056841|0.051378|0.054548|0.062262|0.086667|0.075830|0.067711|0.087003|0.302089|0.302086|0.500000| |2.888732|3.213405|2.823797|2.864278|3.356215|4.086823|3.964935|4.455891|6.622002|4.068720|4.538830|6.834643|9.891507|8.720126|5.518637|17.590739|6.984736|3.497627|0.086707|20.554546|2.842694|2.728777|4.160396|4.273764|2.788122|2.495801|4.599260|2.936687|1.928470|1.754895|2.968860|1.532546|3.352584|3.083073|2.794505|2.786714|22.083821|0.075368|0.087061|0.070635|0.068948|0.070377|0.089589|0.141727|0.101354|0.135930|0.142080|0.142273|0.122462|0.500000| |2.307135|2.543831|2.337137|2.423895|2.800207|3.184503|2.991288|3.186143|5.112469|3.400305|3.961741|5.525973|6.923346|8.850450|7.077552|17.539528|7.072112|3.291830|0.079551|20.374386|2.705892|2.488898|3.827797|3.709996|2.387935|2.186021|4.075860|2.595101|1.734075|1.575403|2.672491|1.382504|3.299180|3.238750|2.951487|2.818704|20.975426|0.060587|0.068252|0.058090|0.058257|0.061471|0.077833|0.096521|0.076174|0.095894|0.175376|0.214069|0.143053|0.301130|0.500000| |2.689107|3.099267|2.873980|3.056497|3.652210|4.164602|3.723966|3.739564|6.745718|4.152751|4.613248|6.902540|9.941970|8.713956|6.941640|17.594253|5.523022|3.551123|0.085769|22.437686|3.176789|2.899556|4.368064|4.383114|2.745546|2.407967|4.387769|2.832334|1.849930|1.674367|2.873250|1.479597|3.279556|3.098104|2.707152|2.590163|20.183419|0.068960|0.078905|0.067336|0.070081|0.076457|0.101950|0.112583|0.086004|0.110375|0.210084|0.171473|0.141313|0.302539|0.301000|0.500000| |2.134872|2.358924|2.151091|2.247402|2.651671|3.083390|2.849726|3.149134|5.372504|4.239694|5.881828|6.665823|6.481591|8.692686|6.869382|5.524060|17.662429|5.655130|0.129367|28.605796|3.281701|3.071724|4.671622|4.601371|2.930879|2.880214|5.834001|3.285179|2.234299|1.952883|3.198159|1.615097|7.266053|6.720412|6.109320|6.078903|46.674019|0.058758|0.060877|0.053218|0.053372|0.056898|0.074699|0.086931|0.078023|0.104038|0.139465|0.173646|0.200602|0.140903|0.144252|0.122444|0.500000| |2.091571|2.274872|2.071624|2.137730|2.472901|2.848825|2.698310|2.993800|4.732805|3.442985|4.328614|5.488253|5.981338|8.818729|6.837831|7.174681|17.537482|3.898024|0.093115|22.299752|2.731566|2.546984|3.936270|3.793535|2.465531|2.367447|4.605986|2.780932|1.894243|1.698548|2.819137|1.446852|4.421358|4.427854|4.263362|4.140996|29.441779|0.056773|0.060900|0.052416|0.051827|0.054300|0.068943|0.086780|0.073852|0.094993|0.140913|0.207142|0.165030|0.177844|0.219774|0.144192|0.302779|0.500000| |2.473343|2.698222|2.377524|2.417673|2.832970|3.439290|3.329034|3.931244|5.892426|4.224699|5.288795|6.905370|7.589895|8.764573|5.479432|6.908999|17.549240|4.420798|0.108954|23.137768|2.926605|2.857535|4.372779|4.483059|2.958506|2.830061|5.541055|3.264648|2.191195|1.954784|3.208613|1.636100|4.777370|4.222318|3.978557|4.217399|34.473854|0.067905|0.072201|0.060570|0.058641|0.060091|0.076987|0.112991|0.095346|0.132811|0.122627|0.141073|0.139106|0.206939|0.170719|0.140917|0.301723|0.301456|0.500000| |2.437601|2.997309|3.073815|3.760451|4.986934|4.711371|3.523874|3.103298|7.952890|7.292741|6.743912|5.374721|6.871285|4.125642|4.348543|3.465799|3.306175|6.062344|0.149421|56.139411|17.625083|8.833077|10.741434|9.682635|4.667178|3.820911|6.744769|4.236830|2.632179|2.233916|3.924204|1.925695|4.231341|3.718874|2.914080|2.728378|22.842381|0.065016|0.064797|0.062450|0.073982|0.099091|0.179141|0.079205|0.075955|0.093697|0.135060|0.097722|0.129219|0.087932|0.083507|0.102861|0.093395|0.080128|0.085298|0.500000| |2.096027|2.496170|2.591207|3.092753|3.756338|3.499045|2.813006|2.531092|5.445325|4.962975|4.714638|3.759387|4.780586|3.120468|3.339338|2.667370|2.694355|5.109343|0.137373|57.501396|17.641033|9.069208|13.642136|7.809658|4.236210|3.759949|6.637660|4.310579|2.744026|2.299436|4.082556|1.984450|3.822081|3.465279|2.768364|2.583425|21.169979|0.056850|0.055315|0.054569|0.064297|0.084587|0.127102|0.064582|0.064280|0.075643|0.099412|0.079194|0.102511|0.068855|0.066734|0.077230|0.078297|0.066832|0.070098|0.300675|0.500000| |3.884049|4.845022|4.320339|4.512742|5.483001|6.779159|6.177115|5.619267|9.158956|7.448998|5.132243|4.294272|6.475222|3.219579|2.790341|2.896898|2.982449|4.339187|0.138939|25.159712|4.199915|5.777686|9.157725|12.547739|17.625104|8.993737|11.846161|9.027345|4.512260|3.800447|6.467844|3.036864|3.421288|2.773172|2.439323|2.573352|23.714283|0.113937|0.096492|0.092705|0.099803|0.105415|0.136825|0.119157|0.149763|0.173923|0.076976|0.067469|0.078553|0.083894|0.069404|0.080078|0.083053|0.070999|0.087816|0.114357|0.099124|0.500000| |3.254316|4.023207|4.045086|4.554251|5.295863|5.289848|4.531046|3.870590|6.876161|5.839442|4.246448|3.502352|5.107123|2.735177|2.510669|2.472685|2.502251|3.908660|0.125361|25.551381|4.662366|7.231180|13.388431|12.499527|17.638690|8.801103|10.504987|10.170742|4.796818|3.971911|7.306494|3.319002|3.062186|2.560815|2.237566|2.306000|20.446913|0.093272|0.080005|0.082188|0.096709|0.113791|0.143700|0.088988|0.104044|0.112786|0.070830|0.061106|0.071764|0.069583|0.060421|0.069839|0.070545|0.060948|0.071240|0.121401|0.115409|0.302740|0.500000| |2.696476|3.026947|2.961467|3.082258|3.307054|3.412385|3.254097|3.068200|4.579967|3.814935|3.185341|2.693339|3.771517|2.230381|2.063612|2.023616|2.146094|3.179170|0.104711|20.656275|3.334665|4.534685|9.229105|6.770334|7.510660|9.418157|10.893807|26.049635|9.143613|7.262143|13.889917|5.207026|2.696499|2.289731|2.079105|2.196276|19.276160|0.080616|0.067297|0.069362|0.075165|0.079859|0.089361|0.072567|0.087666|0.089538|0.056971|0.051522|0.059576|0.057350|0.050718|0.055958|0.061555|0.053118|0.061679|0.084654|0.086648|0.176414|0.236171|0.500000| |2.031234|2.211559|2.152755|2.242888|2.424190|2.516033|2.394069|2.364287|3.572041|3.045370|2.792648|2.346543|3.125114|2.021312|1.915248|1.802566|2.008343|3.040241|0.101738|20.117499|2.955842|3.698434|7.580113|5.031061|4.475066|6.474302|10.577760|12.390721|17.551823|8.909321|12.843609|4.822331|2.737773|2.362907|2.199501|2.353311|20.293239|0.059997|0.052523|0.052738|0.055554|0.059255|0.067570|0.058149|0.066888|0.070530|0.052012|0.048476|0.056535|0.050455|0.046080|0.049111|0.059229|0.050248|0.057004|0.072767|0.078797|0.108251|0.122318|0.208886|0.500000| |2.176180|2.343078|2.206617|2.254318|2.465026|2.667604|2.594699|2.671793|3.860106|3.290226|3.065423|2.579132|3.411539|2.216033|2.047521|1.961562|2.257065|3.313167|0.112965|20.294530|2.875357|3.544823|6.693851|5.189252|4.689975|7.392640|13.683040|12.581817|17.643284|8.890742|10.269871|4.262085|3.055245|2.569038|2.428701|2.693820|24.210734|0.065165|0.056815|0.055535|0.056426|0.058314|0.067445|0.065186|0.076538|0.081577|0.054680|0.051817|0.060265|0.055570|0.049989|0.052601|0.066958|0.055928|0.065275|0.072079|0.074052|0.120582|0.117736|0.180585|0.301939|0.500000| |1.958357|2.043946|1.960923|1.967429|2.059094|2.160088|2.155087|2.184664|2.981694|2.408121|2.232311|1.970453|2.671359|1.740010|1.627625|1.592046|1.759014|2.333619|0.074616|15.157612|2.202751|2.621273|5.067548|3.728378|3.303829|4.215454|7.009565|7.699585|8.891806|17.496919|16.518445|7.233292|2.185567|1.927745|1.852617|2.011179|16.835724|0.059146|0.050785|0.051236|0.051615|0.051900|0.055923|0.054300|0.063951|0.063828|0.044049|0.041868|0.047191|0.045262|0.041074|0.043180|0.051150|0.044632|0.050806|0.056492|0.058653|0.087887|0.090997|0.145397|0.216205|0.212742|0.500000| |2.361317|2.448659|2.299841|2.263120|2.362970|2.530968|2.587765|2.653138|3.437508|2.735218|2.471866|2.195337|3.033789|1.907911|1.747286|1.756524|1.922648|2.495951|0.079971|15.716568|2.325977|2.822056|5.319857|4.221843|3.959508|5.011488|7.867861|9.596363|8.866393|17.499844|16.545717|7.284490|2.298183|1.992721|1.899430|2.073141|17.781238|0.073058|0.060556|0.060966|0.060108|0.058636|0.062756|0.064585|0.079677|0.077201|0.047285|0.044685|0.050132|0.050581|0.044873|0.047596|0.055281|0.048365|0.056396|0.060529|0.060738|0.110365|0.107777|0.180305|0.173963|0.214823|0.300157|0.500000| |1.892789|1.942630|1.904467|1.889153|1.909656|1.951025|1.970342|1.950990|2.600972|2.034378|1.862555|1.685665|2.332783|1.501079|1.413066|1.404468|1.494684|1.895559|0.058774|12.690135|1.897003|2.223054|4.323153|3.130371|2.738154|3.131211|5.022166|5.460930|4.734987|7.203274|16.472409|17.515637|1.762196|1.584904|1.517798|1.614711|13.161705|0.057205|0.048554|0.050715|0.051362|0.050678|0.051548|0.048968|0.057526|0.055242|0.038750|0.036564|0.040480|0.039988|0.036366|0.038566|0.042762|0.038345|0.043058|0.049528|0.051367|0.073969|0.079532|0.118038|0.126101|0.111927|0.214923|0.175897|0.500000| |2.251468|2.283451|2.213744|2.150185|2.148976|2.216055|2.288862|2.266972|2.893600|2.225761|1.999538|1.823781|2.567746|1.607831|1.491919|1.516038|1.593952|1.984023|0.061436|13.041554|1.978676|2.347845|4.488919|3.415023|3.087382|3.430074|5.326243|6.048205|4.743554|7.202514|16.461168|17.509886|1.823359|1.623451|1.545833|1.648996|13.624834|0.069559|0.056936|0.060150|0.059788|0.056991|0.056875|0.056196|0.068272|0.063363|0.040973|0.038459|0.042369|0.043585|0.038984|0.041685|0.045168|0.040699|0.046381|0.052299|0.052870|0.086180|0.090290|0.135031|0.116109|0.112483|0.174439|0.216718|0.299514|0.500000| |2.073091|2.146323|2.146817|2.133464|2.118380|2.121211|2.136193|2.057467|2.763690|2.141524|1.918842|1.739227|2.441938|1.533783|1.445129|1.444278|1.502346|1.921138|0.059255|13.027050|2.007884|2.382851|4.692992|3.349690|2.971893|3.235202|4.984875|5.665435|4.366609|5.853529|16.886051|17.622728|1.750077|1.571454|1.484443|1.561083|12.769620|0.062481|0.052287|0.056121|0.058359|0.057738|0.056973|0.051319|0.060532|0.057433|0.040023|0.037219|0.041196|0.041093|0.037198|0.040052|0.042646|0.038466|0.043168|0.052720|0.054648|0.079918|0.090225|0.133449|0.116852|0.100011|0.146979|0.147547|0.299853|0.299626|0.500000| |1.746351|1.956806|1.881992|2.043762|2.397878|2.565803|2.266111|2.302159|4.298464|3.701641|4.875180|4.329072|4.578822|4.521679|5.549422|3.364989|4.524860|6.492615|0.140246|47.088848|4.140350|3.451566|5.333990|4.507614|2.754910|2.771526|5.638367|3.191244|2.210547|1.889267|3.143926|1.570346|8.910014|17.757440|8.610453|5.740771|37.729006|0.047963|0.048387|0.044725|0.047309|0.053630|0.071490|0.061683|0.058463|0.072192|0.131496|0.138842|0.223413|0.082899|0.089921|0.087304|0.155239|0.114447|0.104296|0.109670|0.103005|0.072365|0.068497|0.060257|0.061472|0.065083|0.050053|0.051522|0.041897|0.042826|0.041904|0.500000| |1.535889|1.667123|1.582500|1.667985|1.895014|2.049679|1.898342|1.994742|3.293699|2.707480|3.319310|3.139367|3.522190|3.425786|3.731809|2.756768|3.965281|4.000508|0.099400|25.777792|2.717696|2.487424|4.030802|3.372516|2.216158|2.316233|4.742490|2.765669|1.991480|1.740256|2.850105|1.444317|5.713654|8.588588|17.746171|8.911731|37.741193|0.042695|0.042968|0.039458|0.040354|0.043777|0.054734|0.054164|0.051923|0.062143|0.088274|0.104239|0.123706|0.070901|0.076894|0.069523|0.138339|0.108169|0.096100|0.072478|0.069713|0.059708|0.055510|0.051901|0.055052|0.059903|0.047045|0.047864|0.039082|0.039610|0.038212|0.202386|0.500000| 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