Version2.0 2020-07-18T06:13:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 08-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)[C@@H]1CCc2c(sc(c2C#N)NC(=S)NC(=O)c3cc(ccc3N4CCOCC4)[N+](=O)[O-])C1 C22861034 RHF 6-31G(d) (6D,7F) CC(C)(C)[C@@H]1CCc2c(sc(c2C#N)NC(=S)NC(=O)c3cc(ccc3N4CCOCC4)[N+](=O)[O-])C1 C01[X(C25H29N5O4S2)] 189 C1 606 N#Cc1c(NC(=S)NC(=O)c2cc(ccc2N2CCOCC2)[N+](=O)[O-])sc2c1CC[C@H](C2)C(C)(C)C N#Cc1c(NC(=S)NC(=O)c2cc(ccc2N2CCOCC2)[N+](=O)[O-])sc2c1CC[C@H](C2)C(C)(C)C CC(C)(C)[C@@H]1CCc2c(C1)sc(NC(=S)NC(=O)c3cc(ccc3N4CCOCC4)[N+]([O-])=O)c2C#N InChIKey=RUIYYEYXVRWIEN-OAHLLOKOSA-N InChI=1S/C25H29N5O4S2/c1-25(2,3)15-4-6-17-19(14-26)23(36-21(17)12-15)28-24(35)27-22(31)18-13-16(30(32)33)5-7-20(18)29-8-10-34-11-9-29/h5,7,13,15H,4,6,8-12H2,1-3H3,(H2,27,28,31,35)/t15-/m1/s1 InChI=1/C25H29N5O4S2/c1-25(2,3)15-4-6-17-19(14-26)23(36-21(17)12-15)28-24(35)27-22(31)18-13-16(30(32)33)5-7-20(18)29-8-10-34-11-9-29/h5,7,13,15H,4,6,8-12H2,1-3H3,(H2,27,28,31,35)/t15-/m1/s1/f/h27-28H CC(C)(C)[C@@H]1CCc2c(sc(c2C#N)NC(=S)NC(=O)c3cc(ccc3N4CCOCC4)[N+](=O)[O-])C1 C01[X(C25H29N5O4S2)] 189 C01 606 N#Cc1c(NC(=S)NC(=O)c2cc(ccc2N2CCOCC2)[N+](=O)[O-])sc2c1CC[C@H](C2)C(C)(C)C N#C[C]1[C](SC2=[C]1CC[C@H](C2)C(C)(C)C)NC(=S)NC(=O)[C]1[CH][C]([CH][CH][C]1N1CCOCC1)[N]([O])[O] CC(C)(C)[C@@H]1CCC2=C(C1)S[C](NC(=S)NC(=O)[C]3[CH][C]([CH][CH][C]3N4CCOCC4)N([O])[O])[C]2C#N InChIKey=RUIYYEYXVRWIEN-OAHLLOKOSA-N InChI=1S/C25H29N5O4S2/c1-25(2,3)15-4-6-17-19(14-26)23(36-21(17)12-15)28-24(35)27-22(31)18-13-16(30(32)33)5-7-20(18)29-8-10-34-11-9-29/h5,7,13,15H,4,6,8-12H2,1-3H3,(H2,27,28,31,35)/t15-/m1/s1 InChI=1/C25H29N5O4S2/c1-25(2,3)15-4-6-17-19(14-26)23(36-21(17)12-15)28-24(35)27-22(31)18-13-16(30(32)33)5-7-20(18)29-8-10-34-11-9-29/h5,7,13,15H,4,6,8-12H2,1-3H3,(H2,27,28,31,35)/t15-/m1/s1/f/h27-28H 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1584.85 1613.49 1617.84 1633.87 1655.05 1665.17 1693.78 1726.81 1730.24 1747.99 1775.52 1788.32 1811.72 1826.96 1829.49 1847.77 1857.68 1894.04 1904.18 1905.23 1946.56 1946.94 1962.65 1974.41 1976.44 2005.16 2014.09 2019.20 2040.54 2050.04 2079.59 2092.87 2108.07 2116.11 2141.79 2145.56 2167.14 2192.54 2223.09 2232.62 2242.25 2244.56 2247.92 2252.78 2254.93 2284.55 2286.44 2331.19 2346.20 2346.76 2353.36 2353.87 2355.45 2358.18 2359.92 2370.70 2378.39 2378.65 2384.22 2390.72 2394.00 2402.15 2404.93 2451.69 2535.25 2570.80 2587.11 2593.29 2686.97 2927.19 3708.44 4544.70 4556.82 4568.54 4599.48 4599.56 4602.22 4607.21 4617.14 4621.00 4625.98 4630.59 4661.15 4683.94 4686.98 4693.79 4695.74 4699.32 4704.29 4712.55 4714.84 4731.00 4731.83 4744.26 4808.33 4903.51 4923.91 4946.74 5486.02 5532.91 0.563170 0.595585 0.596529 0.493949 -2329.607960 -2329.575546 -2329.574601 -2329.677182 3.440584D-04 MUNgauss RevisionA2.0 retrievium 18-Jul-2020 DUDE CC(C)(C)[C@@H]1CCc2c(sc(c2C#N)NC(=S)NC(=O)c3cc(ccc3N4CCOCC4)[N+](=O)[O-])C1 C22861034 RHF 6-31G(d) (6D,10F) C1 527.166098 |X|Y|Z| 63.628495 44.991602 160.623060 77.184543 25 6 7 8 16 20 3 1 1 |36.858105| |12.385884|36.858105| |7.618605|12.371268|36.858105| |7.619313|12.374645|7.680792|36.858105| |7.392717|12.205068|7.528617|7.493770|36.858105| |5.486519|8.917096|7.271703|6.826394|17.486811|0.500000| |6.244032|7.313816|6.058664|4.835629|12.364818|0.248096|36.858105| |4.192083|4.827859|4.323535|3.746975|7.484149|0.198267|12.432369|36.858105| |3.792603|4.322343|3.642802|3.657032|6.639391|0.176461|7.643591|12.661574|36.858105| |4.205841|4.866716|3.787149|4.328572|7.605946|0.190615|6.820798|7.639433|14.224223|36.858105| |3.186736|3.508318|2.868455|3.407414|4.592919|0.122624|4.212218|4.729974|7.400692|10.922001|388.023441| |2.743373|2.989202|2.584139|2.793620|3.893287|0.107164|3.971834|5.035472|8.121195|7.678639|78.402838|36.858105| |2.965303|3.264473|2.867190|2.910635|4.437742|0.122691|4.923334|7.259750|13.208582|8.272220|53.004308|13.983462|36.858105| |2.562008|2.775200|2.550373|2.467444|3.575963|0.100441|4.133433|6.054758|7.470275|5.192745|34.424398|7.814566|13.302998|36.858105| |2.276895|2.438411|2.297231|2.179445|3.024733|0.085385|3.498993|4.825756|5.262464|3.974124|26.882003|5.511943|7.414188|16.730740|53.358707| |2.291264|2.455414|2.178923|2.334896|3.035065|0.084353|3.107264|3.802051|5.207063|4.935246|48.474764|13.723100|7.926511|6.704447|7.339710|53.358707| |2.066817|2.195439|1.952911|2.141292|2.622306|0.072841|2.614623|3.038479|3.929102|3.978565|40.447780|7.611009|5.135410|4.553150|5.420571|19.089255|36.858105| |2.095504|2.214785|1.939006|2.222210|2.590953|0.071306|2.489475|2.758257|3.523961|3.867343|42.172004|5.874163|4.139261|3.509047|4.184257|9.724608|11.635749|388.023441| |1.816654|1.920320|1.744337|1.869240|2.251542|0.063011|2.275867|2.640117|3.233560|3.163526|28.871942|5.287498|4.146233|4.071627|5.208010|11.569540|13.732002|50.447509|53.358707| |1.631557|1.704959|1.557606|1.672496|1.954596|0.054423|1.969779|2.227628|2.641340|2.619523|23.216162|3.888904|3.212502|3.184132|4.185458|7.290416|7.612605|41.597899|18.621629|36.858105| |1.609338|1.665425|1.512116|1.644336|1.889256|0.052115|1.891635|2.099340|2.480837|2.512831|22.460172|3.557688|2.933349|2.837958|3.690870|6.286936|6.506012|43.070323|11.379991|16.103231|73.516695| |1.478664|1.548181|1.436447|1.516205|1.759088|0.049387|1.782886|2.016314|2.322207|2.264005|19.121383|3.189288|2.784263|2.870103|3.915451|5.645274|5.080273|29.078376|10.783775|12.631638|14.233725|36.858105| |1.437481|1.520743|1.421404|1.499062|1.723816|0.048982|1.730935|1.956276|2.235994|2.183068|18.233444|2.996463|2.648395|2.726625|3.724329|5.137160|4.480113|26.545890|8.660274|7.668130|9.991562|13.772471|36.858105| |1.319101|1.393161|1.316448|1.371502|1.564395|0.044567|1.577543|1.773275|1.981953|1.921011|15.562195|2.524619|2.306175|2.414891|3.365584|4.149381|3.418382|20.898430|6.056226|5.068703|7.341151|7.980652|13.781257|36.858105| |1.250933|1.309940|1.241846|1.282326|1.462935|0.041417|1.489569|1.668256|1.842368|1.774585|14.165744|2.296680|2.132005|2.262514|3.201160|3.729081|3.006068|18.460039|5.222078|4.443100|6.703080|6.853023|7.907167|13.804297|36.858105| |1.278606|1.328259|1.252659|1.293857|1.485453|0.041694|1.523488|1.706542|1.891576|1.818944|14.585161|2.383074|2.203549|2.345390|3.324285|3.916281|3.173824|19.274811|5.607622|5.016532|7.641814|7.932300|6.879629|8.008391|13.784416|36.858105| |1.384444|1.435777|1.340329|1.397631|1.617691|0.045165|1.658260|1.864933|2.105266|2.033818|16.692577|2.762810|2.491670|2.622421|3.660777|4.704674|3.962312|23.420595|7.466443|7.514327|10.860797|13.575784|7.872757|6.868049|7.875423|13.680937|36.858105| |1.403226|1.439015|1.337253|1.393481|1.617632|0.044677|1.671657|1.870092|2.107923|2.037189|16.670225|2.747348|2.485635|2.609872|3.635466|4.627548|3.842447|23.041159|6.813205|6.640941|10.945627|7.851734|5.151699|4.552907|5.119263|7.753382|13.502439|53.358707| |1.342254|1.367214|1.266529|1.334304|1.520133|0.041779|1.556997|1.711690|1.923845|1.893659|15.563524|2.464644|2.215880|2.266684|3.103463|4.028732|3.406649|22.002735|5.642392|5.587474|10.882931|5.891212|4.258467|3.814371|4.186700|5.707438|7.847354|17.656723|36.858105| |1.372761|1.382235|1.275084|1.342420|1.531494|0.041667|1.579253|1.723199|1.929742|1.902774|15.518525|2.432191|2.202408|2.240655|3.053613|3.887434|3.203524|21.078964|4.980861|4.515710|9.082969|4.299470|3.303914|2.975823|3.194016|4.066349|5.129354|10.687692|12.546858|36.858105| |1.332369|1.336597|1.241647|1.287648|1.478018|0.040181|1.542151|1.686101|1.859581|1.807685|14.380635|2.277036|2.116143|2.198694|3.051580|3.582173|2.829937|18.233101|4.360210|3.717107|6.964189|3.700899|2.944874|2.745130|3.027252|3.868961|4.557277|9.271174|7.911822|13.585830|73.516695| |1.388124|1.399153|1.303914|1.337069|1.561413|0.042575|1.646316|1.827276|2.013401|1.922930|15.177834|2.479101|2.331688|2.486826|3.519056|3.954455|3.046849|18.752160|4.799974|3.958935|6.962026|4.037947|3.177525|2.967866|3.307764|4.318177|5.120098|10.733747|6.771958|8.180589|24.246224|36.858105| |1.355412|1.382383|1.294230|1.327248|1.548197|0.042667|1.621081|1.814404|2.006035|1.910845|15.179233|2.509458|2.347589|2.527275|3.609253|4.095016|3.205419|19.278449|5.358313|4.583976|7.595463|5.236036|3.983388|3.794570|4.464152|6.511324|7.797040|17.782537|7.907669|6.766492|14.093543|12.521190|36.858105| |1.270842|1.351189|1.286282|1.337930|1.508877|0.043351|1.509971|1.688409|1.868108|1.816429|14.517895|2.310680|2.136970|2.225033|3.092696|3.677552|2.962944|18.675246|4.922604|3.864861|5.853444|5.128873|7.787228|13.095479|7.780827|5.133867|4.505239|4.598385|2.972036|2.431390|4.036189|2.425180|2.958969|53.358707| |1.320897|1.415270|1.345417|1.410538|1.583674|0.045794|1.568725|1.753104|1.951700|1.912248|15.386927|2.424421|2.223909|2.280845|3.125069|3.831352|3.102847|19.837643|5.028214|3.809211|5.791475|4.684697|7.096338|8.395224|5.427648|4.099510|3.891494|4.133337|2.716481|2.270955|3.738816|2.231789|2.646108|21.722962|73.516695| |1.185812|1.256829|1.204463|1.242860|1.393236|0.040003|1.399026|1.555580|1.697509|1.645592|12.937419|2.042265|1.919278|2.011660|2.821310|3.187801|2.518017|16.064751|4.074511|3.185650|4.967733|4.093103|5.429133|8.397621|7.084165|4.681441|3.889688|4.123287|2.701834|2.239352|3.783760|2.267780|2.753802|21.728676|16.005675|73.516695| |5.868105|7.325900|4.862980|6.448401|12.340014|0.249124|7.594884|6.292450|7.517083|12.646996|47.685938|4.812523|5.064975|3.767814|4.216794|4.875814|3.105143|22.535332|3.492899|2.206915|3.825592|1.939356|1.884987|1.683636|1.564241|1.596186|1.762484|2.406285|1.669355|1.684940|2.854021|1.686571|1.668428|2.191618|3.014522|2.618833|36.858105| |17.564989|8.704613|6.958535|5.501124|6.623591|0.139734|6.876710|4.454805|3.815492|3.997403|21.452419|2.701432|2.990882|2.638154|3.216737|3.085184|2.025506|14.350871|2.442833|1.611705|2.816765|1.467225|1.421333|1.308689|1.247602|1.279109|1.382681|1.914922|1.340511|1.375948|2.391443|1.408091|1.369517|1.711464|2.311994|2.091109|5.118233|0.500000| |17.552745|8.691981|5.493370|6.804818|6.728571|0.137875|5.705066|4.056607|3.899788|4.521964|24.809353|2.908140|3.072762|2.606432|3.126599|3.290027|2.192528|16.038126|2.594776|1.713990|3.028212|1.537775|1.485161|1.354687|1.284266|1.318679|1.437231|1.993010|1.407134|1.446641|2.484250|1.449591|1.408124|1.766796|2.396975|2.146455|6.452012|0.301607|0.500000| |17.543455|8.799055|6.940310|7.091569|5.422083|0.123581|4.677628|3.412276|3.129296|3.436805|19.545184|2.387030|2.541990|2.237924|2.747118|2.773204|1.865278|13.544070|2.254233|1.502687|2.644636|1.370101|1.336059|1.232417|1.171020|1.194447|1.287127|1.774160|1.253369|1.281444|2.212602|1.290449|1.260619|1.622445|2.201746|1.984792|4.556394|0.302693|0.302717|0.500000| |6.975815|8.778917|17.546493|7.081773|5.470729|0.145992|4.607985|3.487064|3.042129|3.190599|17.994446|2.276972|2.478089|2.230594|2.767838|2.660930|1.777681|12.666750|2.176400|1.442610|2.502901|1.335071|1.321943|1.229384|1.162873|1.172493|1.250486|1.700163|1.189923|1.199757|2.077895|1.221260|1.210280|1.638669|2.235856|2.011310|4.022170|0.173292|0.141368|0.209439|0.500000| |5.504249|8.732275|17.535654|6.966382|6.902998|0.220943|5.432782|4.247165|3.621212|3.730717|20.353687|2.601172|2.884941|2.578073|3.166949|2.995607|1.972853|13.874175|2.406207|1.573239|2.699625|1.457591|1.454193|1.348981|1.266499|1.269591|1.354066|1.824928|1.265699|1.264999|2.186465|1.294126|1.294381|1.805394|2.478507|2.207181|4.619928|0.141001|0.122248|0.141511|0.301922|0.500000| |6.884518|8.671980|17.575770|5.516316|6.753058|0.177081|6.660058|4.642300|3.676654|3.640342|19.527454|2.554634|2.899564|2.634950|3.259504|2.942796|1.920887|13.360977|2.351752|1.542291|2.653529|1.428193|1.408567|1.308803|1.240875|1.255050|1.340543|1.826164|1.265793|1.277840|2.226137|1.321011|1.307664|1.735889|2.359570|2.128407|4.412265|0.206719|0.140277|0.169811|0.303138|0.301567|0.500000| |6.998456|8.683518|5.524033|17.567975|6.614699|0.160089|4.458644|3.563929|3.660489|4.548664|26.379967|2.912140|2.949959|2.461607|2.941722|3.306865|2.251575|16.981601|2.645535|1.743152|3.072014|1.564652|1.539070|1.399514|1.307065|1.323495|1.438145|1.958641|1.385602|1.398582|2.371082|1.377872|1.363080|1.849773|2.547533|2.237040|7.011639|0.140730|0.204881|0.178923|0.144356|0.140362|0.122243|0.500000| |5.502722|8.720934|6.848309|17.529064|6.966050|0.207167|4.509600|3.713466|3.677551|4.330552|24.649642|2.853410|2.960103|2.509496|3.015583|3.252475|2.194039|16.162507|2.609773|1.707869|2.966932|1.553557|1.549764|1.417937|1.317516|1.320739|1.423242|1.915483|1.343043|1.340240|2.280195|1.334523|1.335465|1.894803|2.625975|2.295034|6.092570|0.122289|0.140007|0.142397|0.170058|0.204115|0.139570|0.301229|0.500000| |6.872955|8.785660|7.195976|17.549994|5.465067|0.142280|4.005094|3.171374|3.049599|3.482102|20.360954|2.411289|2.504942|2.176321|2.658452|2.805742|1.911246|14.114885|2.300937|1.529187|2.681459|1.396526|1.382702|1.273507|1.195499|1.205135|1.294980|1.758923|1.242713|1.251824|2.140463|1.245938|1.235353|1.696240|2.330336|2.068439|4.753816|0.141546|0.165074|0.210599|0.220694|0.177606|0.144599|0.303064|0.301959|0.500000| |6.725104|6.475226|5.136775|4.456474|8.813129|0.174606|17.535776|8.888192|6.743451|6.347786|29.430993|3.860481|4.643407|3.915430|4.547829|4.155400|2.590428|17.685967|3.062502|1.963706|3.385537|1.765885|1.695353|1.542646|1.465768|1.511782|1.653247|2.294615|1.579146|1.619899|2.817060|1.685676|1.639646|1.995035|2.691736|2.416446|7.057222|0.221204|0.183210|0.136272|0.116129|0.123277|0.155932|0.119774|0.110906|0.105023|0.500000| |5.988139|6.887725|6.904126|4.496949|8.742404|0.207457|17.592867|8.899242|5.577376|4.960037|24.293199|3.308844|4.036277|3.626892|4.359525|3.673071|2.306481|15.583050|2.791370|1.795525|3.062676|1.647791|1.607969|1.480955|1.405095|1.432494|1.544572|2.115687|1.448794|1.467952|2.565338|1.540788|1.519162|1.940516|2.626638|2.364310|5.501448|0.197058|0.140826|0.130514|0.142600|0.167680|0.246533|0.110768|0.116884|0.108417|0.303736|0.500000| |3.728356|4.008018|3.710835|3.171454|5.477967|0.142667|8.819196|17.541562|8.910344|5.808499|29.156757|4.628343|6.700354|6.446081|7.318001|4.992241|2.927076|18.547915|3.533014|2.205350|3.689676|2.010229|1.932072|1.761344|1.675183|1.726885|1.884440|2.596017|1.736330|1.760691|3.097574|1.904408|1.875852|2.266954|3.043250|2.740325|4.854950|0.114061|0.100987|0.086135|0.086011|0.099679|0.113901|0.084673|0.086166|0.076879|0.220104|0.209959|0.500000| |3.734596|4.489976|4.325989|3.590570|6.566729|0.202907|8.799074|17.510916|8.935018|6.128206|29.726548|4.530445|6.310357|5.743679|6.516640|4.848154|2.880256|18.478843|3.471724|2.154034|3.575726|1.979964|1.949987|1.781392|1.668868|1.689055|1.827234|2.462713|1.649111|1.642207|2.860277|1.747286|1.756880|2.333959|3.180043|2.815201|5.290166|0.108514|0.097853|0.087182|0.096488|0.124807|0.129087|0.092521|0.102524|0.085388|0.174180|0.219200|0.304040|0.500000| |2.170779|2.314506|2.091461|2.172647|2.840790|0.079257|2.996464|3.744164|4.863002|4.314949|37.289363|9.539620|7.613285|7.966802|9.237237|25.959513|9.486250|38.335445|11.241113|5.291014|7.805315|4.338729|3.903661|3.199301|2.917050|3.090877|3.703689|4.958139|3.054115|2.934019|4.913173|3.147066|3.296237|3.810883|5.094219|4.334087|3.220253|0.060433|0.062941|0.053790|0.052169|0.058716|0.058346|0.062023|0.061632|0.053727|0.081673|0.073462|0.103826|0.098684|0.500000| |1.789655|1.903525|1.748721|1.838103|2.241472|0.063335|2.291493|2.705655|3.266704|3.094292|26.924691|5.144347|4.273367|4.452369|5.887930|10.966063|9.349205|38.494778|26.008936|9.394580|10.898052|7.804466|6.783999|4.851899|4.146826|4.360782|5.580495|6.616559|3.841513|3.369545|5.448381|3.479421|4.000217|5.346700|7.074142|5.747938|2.503325|0.049393|0.051675|0.045298|0.044394|0.049483|0.048381|0.052535|0.052586|0.046222|0.062326|0.057759|0.074413|0.073676|0.255247|0.500000| |1.496480|1.596697|1.488065|1.585244|1.816252|0.051948|1.802061|2.036319|2.350937|2.319679|19.663207|3.194164|2.777090|2.798203|3.749308|5.454675|4.857925|29.355120|8.963849|7.097506|9.537276|8.890323|17.765079|8.953380|5.647454|4.959405|5.607127|5.677803|3.618136|2.941091|4.652669|2.790702|3.335189|9.812050|14.246939|8.852045|1.998727|0.040865|0.042944|0.038601|0.038375|0.042489|0.040732|0.045265|0.045827|0.040478|0.048717|0.046326|0.055180|0.056630|0.111482|0.190470|0.500000| |1.178287|1.233071|1.176359|1.207463|1.368530|0.038807|1.394271|1.553646|1.695267|1.630910|12.833536|2.058282|1.937529|2.061884|2.933392|3.267917|2.584793|16.154396|4.319257|3.555081|5.544201|4.946856|5.643825|8.947854|17.783624|8.897874|5.615591|5.643203|3.546207|2.810175|4.841962|2.952271|3.859844|9.771822|8.828044|14.154291|1.451108|0.032684|0.033483|0.030748|0.030688|0.033360|0.032692|0.034075|0.034470|0.031398|0.038063|0.036759|0.043398|0.043363|0.070854|0.094964|0.124534|0.500000| |1.219040|1.259346|1.191799|1.223487|1.400276|0.039175|1.443276|1.608070|1.762741|1.691140|13.379358|2.168254|2.032683|2.174005|3.104020|3.492143|2.773841|17.114637|4.705897|4.080992|6.518137|5.640505|4.959118|5.691591|8.985975|17.763731|8.912096|9.627362|5.521871|4.080089|7.278346|4.582389|7.105389|5.678765|6.060105|7.180408|1.495427|0.033988|0.034886|0.031713|0.031073|0.033463|0.033269|0.034716|0.034569|0.031773|0.039930|0.037876|0.045482|0.044147|0.076661|0.100777|0.107697|0.215703|0.500000| |1.247085|1.269913|1.183821|1.241774|1.401986|0.038633|1.434435|1.568656|1.742208|1.713518|13.880331|2.174661|1.983086|2.037753|2.809816|3.483748|2.889833|18.943217|4.698841|4.443400|8.381543|4.990276|3.898317|3.707061|4.256616|5.814331|6.797801|12.275665|17.456282|8.872236|12.525072|5.885561|7.087854|3.986862|4.682252|4.847372|1.526466|0.034615|0.036177|0.032494|0.031003|0.032905|0.032881|0.035711|0.034751|0.032274|0.040324|0.037315|0.044212|0.042217|0.073455|0.091204|0.091795|0.103094|0.168760|0.500000| |1.367270|1.397368|1.288633|1.373869|1.553739|0.042762|1.575017|1.725498|1.957667|1.951463|16.333995|2.549231|2.249458|2.258868|3.047317|4.190318|3.684310|24.587585|6.105348|6.500614|14.146862|6.429122|4.620062|3.959991|4.114637|5.243478|7.317871|12.399114|17.670050|8.897444|10.168509|5.049796|5.702289|4.213406|5.116342|4.909745|1.721293|0.037710|0.039927|0.035477|0.033640|0.035829|0.035590|0.039796|0.038507|0.035491|0.044282|0.040552|0.048168|0.046184|0.086129|0.111074|0.110922|0.095831|0.132596|0.299928|0.500000| |1.312312|1.316180|1.214483|1.285014|1.445572|0.039267|1.481998|1.598947|1.780450|1.772222|14.397609|2.202654|1.999487|2.012491|2.727293|3.446961|2.838285|19.398325|4.288522|3.827741|7.875681|3.645302|2.926744|2.673618|2.850792|3.501531|4.187428|7.691389|8.860248|17.615233|16.903972|5.885794|5.047558|3.041259|3.733024|3.690993|1.589541|0.036452|0.038467|0.034192|0.031886|0.033422|0.033734|0.037271|0.035576|0.033423|0.042304|0.038366|0.045216|0.042342|0.071222|0.080457|0.073609|0.070976|0.098436|0.216456|0.210217|0.500000| |1.484202|1.491441|1.364732|1.445600|1.662610|0.045000|1.715887|1.876142|2.127714|2.106651|17.436168|2.741797|2.445967|2.459322|3.308222|4.421831|3.681094|24.204235|5.599700|4.995520|10.429098|4.354332|3.316435|2.896875|3.008383|3.720906|4.826699|9.574640|8.897024|17.525631|16.515030|7.261379|5.870301|3.243786|4.023471|3.857357|1.848884|0.041291|0.043699|0.038305|0.035562|0.037506|0.037960|0.042022|0.039986|0.037278|0.049135|0.043971|0.053222|0.049237|0.091795|0.102286|0.083698|0.073100|0.100322|0.174001|0.217728|0.300180|0.500000| |1.336517|1.342415|1.258881|1.277750|1.490532|0.040622|1.581697|1.749844|1.898481|1.801855|13.948397|2.265194|2.174075|2.342836|3.356253|3.530958|2.657567|16.502740|4.095241|3.269221|5.705037|3.376472|2.778134|2.662486|2.990106|3.780799|4.175661|7.713407|5.039941|5.879505|16.919574|17.606178|8.850949|3.028855|3.638780|3.758972|1.593068|0.037837|0.038619|0.034597|0.032818|0.034661|0.035576|0.036432|0.035359|0.033193|0.045036|0.041410|0.051021|0.046585|0.078322|0.083873|0.068508|0.076176|0.114897|0.131845|0.110499|0.132263|0.147390|0.500000| |1.505119|1.514439|1.402613|1.439193|1.703904|0.046234|1.808404|2.021551|2.249241|2.136986|16.949191|2.816228|2.639449|2.820125|3.970457|4.533339|3.444223|20.745814|5.346312|4.252318|7.442879|4.080709|3.188491|2.893717|3.112592|3.928536|4.831233|9.645113|5.899458|7.274955|16.541039|17.507011|8.874900|3.239606|3.956123|3.910027|1.852170|0.042494|0.043823|0.038643|0.036340|0.038562|0.039529|0.041279|0.039799|0.037080|0.051691|0.046698|0.058822|0.053208|0.101188|0.106756|0.079148|0.076579|0.110320|0.134997|0.132400|0.147516|0.216680|0.300113|0.500000| |1.390910|1.425079|1.339810|1.360133|1.605855|0.044430|1.694359|1.919534|2.113796|1.983056|15.581367|2.634633|2.503493|2.767971|4.045506|4.317520|3.277331|19.115691|5.521749|4.444649|7.005118|5.166221|4.066903|3.923071|4.604786|6.443136|7.240127|12.432494|5.690177|5.031757|10.163815|8.864762|17.572570|4.180398|4.869659|5.086535|1.718621|0.039173|0.039958|0.035832|0.034677|0.037311|0.037740|0.038611|0.038097|0.035097|0.047376|0.044186|0.055454|0.051887|0.099447|0.120025|0.094693|0.111077|0.189656|0.143795|0.127279|0.110363|0.131352|0.210468|0.216191|0.500000| |1.257987|1.282193|1.206990|1.235300|1.424325|0.039341|1.486064|1.649682|1.804341|1.725748|13.581888|2.204288|2.078577|2.228347|3.185358|3.522711|2.753000|17.021900|4.509419|3.849998|6.499425|4.525555|3.652597|3.662754|4.522893|6.627406|6.685927|12.194544|7.040405|5.892428|12.624355|8.921703|17.471051|3.947536|4.542022|4.920767|1.525005|0.035290|0.036198|0.032663|0.031481|0.033569|0.033863|0.035174|0.034553|0.032087|0.041677|0.038924|0.047275|0.044612|0.077770|0.093702|0.085028|0.112840|0.234558|0.209561|0.143115|0.132393|0.134729|0.217762|0.174353|0.300231|0.500000| |5.099833|6.589023|4.554438|7.152664|8.773604|0.221071|5.529001|4.875233|5.786908|8.963466|45.765318|4.406114|4.369070|3.338095|3.803651|4.626706|3.046513|22.872351|3.426935|2.179953|3.793358|1.916832|1.881888|1.679140|1.548869|1.569419|1.728815|2.340976|1.633855|1.636613|2.752384|1.615816|1.610099|2.202395|3.054282|2.626884|17.581780|0.119650|0.153616|0.117645|0.108059|0.125168|0.110225|0.231510|0.203380|0.142239|0.141371|0.122967|0.108477|0.123258|0.083895|0.067825|0.055963|0.039941|0.040712|0.041614|0.047147|0.043083|0.049690|0.042275|0.048931|0.045872|0.041056|0.500000| 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