Version2.1 2021-01-06T21:41:15Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+](C)CCN(c1nc2c(cccc2s1)OC)C(=O)C3CCN(CC3)S(=O)(=O)c4cccs4 C09504718 RHF 6-31G(d) (6D,7F) C[NH+](C)CCN(c1nc2c(cccc2s1)OC)C(=O)C3CCN(CC3)S(=O)(=O)c4cccs4 C01[X(C22H29N4O4S3)] 180 C1 565 COc1cccc2c1nc(s2)N(C(=O)C1CCN(CC1)S(=O)(=O)c1cccs1)CC[NH+](C)C COc1cccc2c1nc(s2)N(C(=O)C1CCN(CC1)S(=O)(=O)c1cccs1)CC[NH+](C)C COc1cccc2sc(nc12)N(CC[NH+](C)C)C(=O)C3CCN(CC3)[S](=O)(=O)c4sccc4 InChIKey=UUGHXICTFCCMLC-UHFFFAOYSA-O InChI=1S/C22H28N4O4S3/c1-24(2)13-14-26(22-23-20-17(30-3)6-4-7-18(20)32-22)21(27)16-9-11-25(12-10-16)33(28,29)19-8-5-15-31-19/h4-8,15-16H,9-14H2,1-3H3/p+1 InChI=1/C22H28N4O4S3/c1-24(2)13-14-26(22-23-20-17(30-3)6-4-7-18(20)32-22)21(27)16-9-11-25(12-10-16)33(28,29)19-8-5-15-31-19/h4-8,15-16H,9-14H2,1-3H3/p+1/fC22H29N4O4S3/h24H/q+1 C[NH+](C)CCN(c1nc2c(cccc2s1)OC)C(=O)C3CCN(CC3)S(=O)(=O)c4cccs4 C01[X(C22H29N4O4S3)] 180 C01 565 COc1cccc2c1nc(s2)N(C(=O)C1CCN(CC1)S(=O)(=O)c1cccs1)CC[NH+](C)C CO[C]1[CH][CH][CH][C]2[C]1N=C(S2)N([C]([O])[C@@H]1CCN(CC1)S(=O)(=O)C1=[CH][CH]=[CH]S1)CC[NH](C)C CO[C]1[CH][CH][CH][C]2SC(=N[C]12)N(CC[NH](C)C)[C]([O])C3CCN(CC3)[S](=O)(=O)c4sccc4 InChIKey=WKKGJVAZBOXKGN-UHFFFAOYSA-N InChI=1S/C22H29N4O4S3/c1-24(2)13-14-26(22-23-20-17(30-3)6-4-7-18(20)32-22)21(27)16-9-11-25(12-10-16)33(28,29)19-8-5-15-31-19/h4-8,15-16,24H,9-14H2,1-3H3 InChI=1/C22H29N4O4S3/c1-24(2)13-14-26(22-23-20-17(30-3)6-4-7-18(20)32-22)21(27)16-9-11-25(12-10-16)33(28,29)19-8-5-15-31-19/h4-8,15-16,24H,9-14H2,1-3H3 4128.5592968958 -2559.4804586 1-A 21126.4461 134 431 565 |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|A|A|A|A|A|A|A|A|A| -92.27394 -92.08798 -92.05149 -20.68481 -20.67617 -20.61435 -20.61349 -15.83212 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15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 31.97207 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 13194.9759 29679.0474 34549.5897 0.99996 -0.00841 0.00360 0.00840 0.99996 0.00289 -0.00363 -0.00286 0.99999 1 0.00656 0.00292 0.00251 0.13677 0.06081 0.05224 13.90 22.26 26.63 33.73 39.02 47.59 64.64 80.54 90.96 105.62 120.95 124.36 173.12 180.61 225.84 250.09 256.58 277.92 284.87 301.37 314.39 331.74 341.34 370.30 381.92 391.21 417.17 431.85 467.01 491.38 496.00 521.78 528.81 547.17 562.79 582.52 620.47 622.64 639.07 657.91 672.54 711.87 727.16 737.00 773.37 795.54 817.44 846.27 869.45 891.21 922.56 931.89 942.60 972.32 1039.41 1050.24 1063.47 1097.39 1134.85 1162.05 1167.19 1197.53 1198.24 1212.73 1242.96 1262.97 1300.69 1305.07 1328.18 1334.67 1384.92 1404.44 1428.05 1454.51 1461.76 1462.96 1488.95 1503.43 1541.69 1564.68 1573.16 1600.57 1601.49 1612.53 1625.41 1652.61 1668.63 1670.60 1683.07 1689.70 1704.45 1712.20 1723.21 1755.97 1799.20 1811.50 1819.19 1837.70 1843.73 1859.10 1878.71 1879.52 1889.58 1916.26 1964.88 1978.18 1983.97 1985.76 1998.45 2015.17 2018.22 2042.36 2080.29 2086.64 2094.79 2104.81 2118.16 2159.26 2173.73 2174.59 2178.58 2196.86 2220.70 2251.42 2258.82 2283.76 2285.51 2287.91 2291.43 2316.19 2327.51 2336.11 2338.10 2344.11 2346.65 2359.94 2365.60 2368.66 2372.70 2374.24 2375.94 2384.22 2389.41 2391.40 2395.92 2415.48 2510.35 2538.64 2568.31 2586.94 2700.34 4587.49 4623.61 4637.88 4640.11 4643.69 4687.42 4691.17 4696.80 4710.26 4718.37 4722.65 4739.81 4740.19 4754.57 4791.91 4806.42 4810.92 4827.61 4829.75 4834.18 4838.83 4851.85 4868.10 4898.47 4910.42 4918.88 4942.21 4955.52 5016.83 0.545780 0.575906 0.576850 0.479029 -2558.934679 -2558.904552 -2558.903608 -2559.001429 3.280932D-04 MUNgauss RevisionA2.0 retrievium 06-Jan-2021 DUDE C[NH+](C)CCN(c1nc2c(cccc2s1)OC)C(=O)C3CCN(CC3)S(=O)(=O)c4cccs4 C09504718 RHF 6-31G(d) (6D,10F) C1 509.135096 |X|Y|Z| 71.761103 49.684411 116.223872 74.553528 23 6 7 16 17 3 3 |36.858105| |12.797973|53.358707| |9.402500|25.446332|0.500000| |7.748693|17.430090|0.257542|36.858105| |7.657428|17.231350|0.260345|7.679570|36.858105| |5.874930|10.256135|0.211625|5.031252|12.447928|36.858105| |4.491256|8.019994|0.188391|4.467081|7.584190|13.031930|53.358707| |3.527121|6.109289|0.133539|3.803120|5.861150|7.789662|18.360083|36.858105| |3.294309|5.841031|0.124638|3.943556|5.411241|5.876638|11.068383|15.075700|53.358707| |2.692009|4.505971|0.094129|3.136121|4.047246|4.349548|7.334677|8.726481|18.696942|36.858105| |2.383898|3.930390|0.081027|2.872837|3.379818|3.413604|5.408341|5.408932|10.488675|13.552161|36.858105| |2.057490|3.281960|0.067394|2.390603|2.782391|2.847189|4.379715|4.180549|7.024691|7.986814|13.807684|36.858105| |1.965305|3.077142|0.063374|2.186145|2.628633|2.787983|4.270109|4.087753|6.272551|6.922565|7.882981|13.605130|36.858105| |2.116940|3.311732|0.068664|2.284652|2.887104|3.203129|4.991722|4.989949|7.101871|7.821434|6.708773|7.839823|13.859773|36.858105| |2.486528|4.000890|0.083680|2.705746|3.595923|4.117177|6.789446|7.838552|11.056819|13.709305|7.863016|6.933282|8.091606|13.694193|36.858105| |2.826511|4.498560|0.095886|2.863593|4.134805|5.408717|9.413164|10.902978|10.057341|7.440767|4.868598|4.256563|4.713089|6.720929|10.903702|388.023441| |2.462863|4.127591|0.084680|3.158368|3.436576|3.286128|5.115411|4.725050|9.296015|8.169477|14.256916|7.883087|5.183927|4.565055|5.275993|27.824328|73.516695| |2.146156|3.493321|0.071184|2.733858|2.814636|2.663965|4.014722|3.503134|6.179826|5.238980|8.035547|6.714674|4.497105|3.756409|3.975369|21.863215|24.064914|36.858105| |4.431483|7.798512|0.209031|4.468661|5.919002|7.794156|18.933466|7.840423|8.419701|4.400807|3.485881|2.863782|2.757497|3.121416|4.015636|36.036380|6.096461|2.769384|36.858105| |5.456765|9.432323|0.295610|5.090347|6.026065|7.084778|11.633223|5.453240|6.391050|3.536987|2.951746|2.472951|2.370404|2.624977|3.238927|27.858621|5.306585|2.489473|15.707164|73.516695| |3.314691|5.490245|0.136573|3.496038|4.115837|4.968159|10.406956|6.541217|7.679570|4.370074|3.536082|2.946084|2.846166|3.202444|4.038799|34.421307|6.120433|2.810636|12.589561|14.230169|36.858105| |2.992365|4.613819|0.113063|2.937378|3.346592|4.027150|7.257828|4.544322|5.349625|3.309342|2.790543|2.437126|2.411112|2.703668|3.229353|27.781330|4.811931|2.306340|7.635706|11.607619|12.385903|36.858105| |2.434758|3.703460|0.087423|2.466398|2.697209|3.106079|5.340598|3.681799|4.584001|3.006296|2.628574|2.352035|2.334314|2.571482|2.958605|23.950507|4.530059|2.222946|4.951703|7.800335|7.568533|12.498678|36.858105| |2.363829|3.644088|0.085884|2.517037|2.596339|2.854055|4.829054|3.388683|4.468011|2.932476|2.652823|2.354563|2.274256|2.430798|2.774194|21.228788|4.718485|2.346724|4.480775|7.298788|6.615852|7.810184|12.969848|53.358707| |2.482504|3.969482|0.093305|2.799490|2.863228|3.086539|5.381992|3.933328|5.457839|3.533932|3.219270|2.772706|2.603546|2.746197|3.194469|23.458870|5.837471|2.849306|4.944152|7.683896|7.571252|6.540247|7.756582|17.716978|36.858105| |3.083616|5.175972|0.127059|3.574105|3.690887|3.985423|7.370553|5.065735|6.979356|4.088072|3.561582|2.933445|2.722945|2.917834|3.556835|27.037553|6.552090|3.060736|7.605391|11.212466|12.387744|7.574146|6.526947|10.617519|12.492350|36.858105| |1.976341|2.976921|0.068269|2.099582|2.122538|2.287372|3.700632|2.658970|3.568640|2.439413|2.282980|2.087434|2.025448|2.124219|2.337973|17.378044|4.071758|2.094578|3.224377|5.411190|4.217557|4.815433|7.187371|15.651231|7.229194|4.821952|388.023441| |1.821252|2.759756|0.062289|1.967726|2.004883|2.148204|3.474537|2.592108|3.551849|2.505372|2.393105|2.221433|2.152884|2.225789|2.405378|17.283142|4.245464|2.211765|2.916287|4.786341|3.766710|3.974996|5.532201|10.226384|6.561038|4.315876|94.656277|73.516695| |1.882986|2.774500|0.063365|1.930749|1.977891|2.155107|3.420486|2.421892|3.177275|2.180179|2.024064|1.873366|1.848091|1.957543|2.136448|16.234938|3.567456|1.839651|2.949157|5.034122|3.710450|4.570597|6.793265|10.498498|5.026142|3.882289|94.927045|13.667798|73.516695| |1.955256|2.932702|0.067013|2.122838|2.037461|2.127560|3.352085|2.377439|3.257032|2.207330|2.108543|1.918398|1.828911|1.886301|2.071299|15.177859|3.869337|2.026376|2.919160|5.105071|3.575568|3.866713|4.807246|9.741494|5.845532|4.355286|77.420988|13.246764|13.010686|36.858105| |1.795959|2.695076|0.060616|1.989237|1.880771|1.932595|3.007403|2.171954|3.034310|2.090805|2.044225|1.876070|1.772560|1.797996|1.948783|13.940282|3.795100|2.030717|2.548609|4.443984|3.032779|3.125636|3.715551|6.920544|4.810890|3.710979|49.379686|11.569939|9.153570|14.116301|36.858105| |1.754149|2.604983|0.058208|1.949861|1.790783|1.810946|2.760427|1.972048|2.760455|1.893358|1.861971|1.709274|1.608969|1.625355|1.758465|12.592195|3.494476|1.889163|2.325658|4.153165|2.658934|2.725043|3.072189|5.382575|3.811635|3.212451|33.951085|7.783915|7.098545|8.255264|13.312116|36.858105| |1.864934|2.741754|0.061734|2.041650|1.853520|1.873692|2.834107|1.982486|2.740904|1.852507|1.798166|1.640685|1.551217|1.581739|1.724824|12.567213|3.367159|1.800903|2.421842|4.428035|2.728064|2.859770|3.151664|5.431367|3.696091|3.254298|32.456315|6.876298|7.174343|7.781679|8.260709|14.137951|36.858105| |2.063969|3.038000|0.069832|2.199603|2.051253|2.120321|3.260147|2.239251|3.031983|2.019710|1.915685|1.735232|1.656370|1.716926|1.895412|14.141835|3.535911|1.849403|2.874101|5.275927|3.335059|3.698583|4.189550|7.492752|4.546696|3.936229|44.210805|8.071138|9.986143|11.003287|7.413799|7.427568|11.074272|388.023441| |17.636383|12.318745|0.181313|7.078948|6.880887|5.064278|5.262547|3.204009|4.151022|2.554064|2.295982|1.999674|1.909001|2.040442|2.365859|18.749022|4.224492|2.094626|3.673510|7.543803|2.861329|2.586071|2.158507|2.864655|2.219532|2.695239|12.730974|2.967794|3.035024|1.775085|1.649411|1.617013|1.706904|13.231277|0.500000| |17.650435|12.339954|0.226491|7.102912|5.590195|4.631770|5.279802|3.107312|4.009714|2.439706|2.194559|1.906628|1.816074|1.939179|2.251526|17.955985|4.068459|2.022955|4.065481|9.197291|3.163236|2.928995|2.408008|3.225082|2.460378|3.025498|14.188578|3.237465|3.388823|2.007909|1.841965|1.819812|1.958389|15.388856|0.298979|0.500000| |17.666481|12.296842|0.224198|5.622289|7.108452|6.529063|6.477152|3.625192|4.424061|2.672461|2.327964|2.027134|1.967556|2.151193|2.530481|21.166864|4.184201|2.043198|4.630901|10.128396|3.412859|3.157633|2.526589|3.255710|2.468304|3.042691|14.168433|3.250467|3.416216|1.940069|1.766737|1.712617|1.822033|14.529998|0.298895|0.300735|0.500000| |6.946095|12.319297|0.180058|17.633448|7.024838|4.536823|5.297828|3.453933|4.907218|2.970214|2.766621|2.333051|2.135069|2.214802|2.585323|19.166744|5.396199|2.671829|3.720012|7.239196|2.995141|2.558382|2.187799|3.019819|2.451927|3.026020|13.411339|3.177513|3.103766|1.901565|1.799812|1.769039|1.839616|13.925620|0.209179|0.170249|0.142547|0.500000| |5.632180|12.335393|0.224278|17.649285|7.039876|4.894495|6.420722|4.182216|6.241530|3.560615|3.295376|2.669481|2.388977|2.471863|2.958328|21.639885|6.665043|3.186788|4.751397|9.096713|3.813175|3.079645|2.610604|3.692231|3.119509|4.067078|15.959748|3.772820|3.604656|2.270614|2.139902|2.082392|2.155544|16.433432|0.143226|0.145823|0.126310|0.299024|0.500000| |7.226565|12.329443|0.220176|17.647685|5.591507|4.164747|5.203105|3.258529|4.551004|2.730385|2.535141|2.146888|1.973677|2.053054|2.393002|18.021699|4.949832|2.469070|4.032489|8.495624|3.269717|2.841827|2.410096|3.388744|2.724906|3.418874|14.914694|3.458478|3.441573|2.163471|2.027676|2.017540|2.140832|16.309456|0.179002|0.220081|0.145875|0.299173|0.299497|0.500000| |5.664478|12.326992|0.208894|7.638771|17.642191|8.873787|9.865753|6.481036|9.158337|4.811517|4.030485|3.192040|2.928195|3.165426|4.009025|30.703847|7.476680|3.333018|5.638423|9.516975|4.154373|3.252738|2.684630|3.586575|2.997308|3.881712|15.345599|3.675372|3.520406|2.075625|1.935458|1.836011|1.878838|14.625920|0.148195|0.126816|0.142609|0.197504|0.229028|0.149784|0.500000| |7.486454|12.373444|0.184021|6.538963|17.612650|8.796010|7.599887|4.718781|6.011619|3.561018|3.058747|2.590511|2.472559|2.698656|3.258441|26.210135|5.490077|2.597942|4.501053|8.214378|3.364245|2.854618|2.359671|3.086357|2.464490|3.052011|13.487450|3.203891|3.173729|1.827799|1.700545|1.630025|1.685455|13.128478|0.219740|0.147712|0.194593|0.192108|0.158077|0.138281|0.301330|0.500000| |4.762434|7.604163|0.149420|4.158545|8.978123|17.626934|12.588233|7.553313|7.674258|4.483950|3.477143|2.958834|2.966903|3.485744|4.475494|43.410625|5.755458|2.633237|5.782575|9.116805|4.211531|3.516732|2.820216|3.504854|2.773258|3.426836|14.997824|3.574520|3.555285|1.947623|1.784664|1.669601|1.713604|13.662001|0.122725|0.106555|0.146837|0.110113|0.113356|0.096990|0.205737|0.225335|0.500000| |6.469890|9.645116|0.208469|4.607787|8.750440|17.637341|12.494973|5.785974|6.162027|3.555378|2.886384|2.474499|2.450512|2.799568|3.463657|32.375420|4.966315|2.329661|7.244325|13.347070|4.702068|4.125385|3.120275|3.833838|2.939553|3.725035|16.113120|3.724775|3.864092|2.110115|1.899438|1.788614|1.871606|15.219352|0.147419|0.141771|0.229575|0.114974|0.119262|0.111657|0.174002|0.200836|0.304103|0.500000| |1.896169|2.994165|0.061225|2.220089|2.486394|2.495643|3.766705|3.430987|5.645811|5.653847|8.923121|17.775432|8.933458|5.634400|4.988687|24.422933|12.497971|7.442211|2.519777|3.949870|2.596587|2.188952|2.138424|2.954421|2.541771|2.644345|13.950126|3.737431|3.129231|1.827587|1.810938|1.660498|1.584139|11.753905|0.051508|0.049218|0.051579|0.060619|0.068732|0.055931|0.078731|0.064975|0.071441|0.061103|0.500000| |1.774346|2.734213|0.056171|1.952193|2.301081|2.426056|3.645173|3.340384|4.978540|4.979022|5.645300|8.935149|17.729821|8.988821|5.709871|27.418085|7.456525|3.913929|2.395532|3.724759|2.478963|2.155608|2.114685|2.808655|2.324123|2.387278|13.327562|3.562159|3.064583|1.698281|1.657035|1.509219|1.450932|10.942924|0.048124|0.045824|0.049400|0.053272|0.058704|0.049439|0.070187|0.060885|0.071657|0.060268|0.218251|0.500000| |1.988967|3.049670|0.063255|2.085390|2.635523|2.966880|4.531575|4.299881|5.757482|5.584049|4.868814|5.592564|8.898719|17.752259|8.825569|43.923661|6.455793|3.110802|2.862634|4.332982|2.938530|2.567770|2.459251|3.113268|2.516835|2.637910|14.381960|3.758590|3.365842|1.784914|1.696645|1.535394|1.498188|11.594972|0.053351|0.050734|0.056720|0.056317|0.061739|0.052507|0.078266|0.069321|0.090659|0.073659|0.124019|0.214915|0.500000| |2.194482|3.585417|0.072879|2.893976|2.813727|2.598197|3.873166|3.254927|5.649720|4.405081|5.900990|4.901492|3.608825|3.159925|3.404718|19.793035|16.975563|17.661509|2.727992|4.446225|2.746589|2.263150|2.176014|3.175157|2.838354|3.071909|14.845316|3.885282|3.246885|2.063710|2.083964|1.962730|1.872268|13.512539|0.059558|0.057968|0.057301|0.078523|0.095120|0.073143|0.092679|0.072025|0.070178|0.063554|0.145637|0.089061|0.074589|0.500000| |2.051458|3.290332|0.066077|2.566843|2.681761|2.526572|3.706447|3.217571|5.495073|4.740624|7.043629|6.712790|4.555792|3.704564|3.780474|20.740324|16.419790|17.581492|2.514900|4.055192|2.508239|2.094548|2.010895|2.847801|2.476887|2.659187|13.386844|3.516861|2.982710|1.819801|1.820739|1.706252|1.635449|11.932002|0.056331|0.053458|0.054363|0.071146|0.081447|0.064265|0.087585|0.070274|0.070608|0.061528|0.224148|0.113069|0.086004|0.299898|0.500000| |1.967311|3.158338|0.065184|2.438655|2.514224|2.437289|3.720852|3.236101|5.524939|4.770343|7.079663|6.726170|4.570231|3.720847|3.801303|20.857173|16.423609|17.584217|2.611371|4.161834|2.731978|2.272662|2.240873|3.243582|2.899630|2.997293|15.374963|4.143067|3.355308|2.079357|2.104749|1.939323|1.825014|13.264706|0.053041|0.051912|0.052472|0.065645|0.077907|0.062150|0.080726|0.064456|0.066918|0.060026|0.222993|0.113271|0.086344|0.299924|0.298578|0.500000| |2.973997|4.875800|0.115318|3.148918|3.864237|4.747701|10.119218|7.713561|8.772968|5.196801|4.021944|3.353636|3.298716|3.817887|4.961573|42.994467|6.637574|2.993943|8.908937|10.447155|17.593821|8.886064|6.908499|7.949269|6.898358|8.877087|28.405452|6.718020|6.259630|3.281166|2.851766|2.474026|2.483052|21.035101|0.073123|0.077683|0.085349|0.077048|0.095825|0.080628|0.110936|0.089494|0.118346|0.120758|0.080330|0.078606|0.096522|0.079218|0.074159|0.081667|0.500000| |2.948900|4.428951|0.106209|2.758657|3.302313|4.153276|7.294511|4.532382|5.097767|3.212999|2.673438|2.370552|2.397400|2.743156|3.262655|29.615392|4.514945|2.167612|6.899346|10.487693|8.775550|17.540872|8.916245|7.686352|4.897631|5.497991|28.460965|6.109079|7.128479|3.241279|2.692253|2.379942|2.489723|22.279466|0.071207|0.079056|0.088812|0.067841|0.078894|0.073541|0.087439|0.079475|0.103081|0.121665|0.058873|0.059776|0.073729|0.058548|0.055422|0.059218|0.214655|0.500000| |3.193324|4.829206|0.120975|3.068951|3.332472|3.883854|6.557995|3.950331|4.765544|2.932942|2.526952|2.209981|2.165300|2.390398|2.819143|23.754201|4.451642|2.162589|7.067592|12.835235|8.830817|17.596864|8.882890|9.571605|5.746017|6.842072|32.656442|6.500172|7.925584|3.972236|3.165425|2.832265|3.070995|29.109933|0.075424|0.089088|0.093450|0.073343|0.087920|0.084490|0.088379|0.079163|0.092393|0.114062|0.055796|0.054182|0.063118|0.059790|0.054765|0.058828|0.174242|0.301744|0.500000| |2.272789|3.464908|0.080210|2.315042|2.597014|3.017863|5.228100|3.803077|4.723225|3.201332|2.782869|2.523604|2.546099|2.836035|3.234950|26.051667|4.682086|2.291637|4.539710|6.877601|6.802413|8.821110|17.495006|12.266364|6.957422|5.710522|44.879403|10.014401|10.537481|4.173837|3.406280|2.800630|2.793660|25.004357|0.056686|0.061636|0.065605|0.057786|0.068376|0.062052|0.072571|0.063586|0.077980|0.082829|0.063277|0.064052|0.075839|0.061378|0.057655|0.064827|0.203525|0.215888|0.173647|0.500000| |2.276150|3.371563|0.078798|2.248284|2.431069|2.779269|4.570752|3.120180|3.885589|2.585992|2.293050|2.085325|2.085007|2.286125|2.576850|20.856040|3.960138|1.975373|4.113521|6.828885|5.517083|8.876270|17.692809|12.464525|5.656826|4.908689|49.539848|9.082472|14.574910|4.711327|3.592657|3.013445|3.147578|30.477523|0.056276|0.063135|0.066038|0.055844|0.065099|0.061720|0.066416|0.060009|0.070727|0.079165|0.053173|0.053144|0.061584|0.053904|0.050158|0.055342|0.141064|0.213364|0.216657|0.301951|0.500000| |2.310209|3.684976|0.084760|2.595382|2.746512|2.992322|5.252996|4.083393|5.741345|3.894763|3.559294|3.096710|2.924025|3.082361|3.558743|25.320704|6.273844|3.046850|4.519410|6.778521|6.772525|5.698230|6.944684|12.301732|17.526229|8.803883|45.231604|12.142591|8.194659|4.850725|4.253998|3.366273|3.177724|26.565310|0.058108|0.062751|0.064123|0.064246|0.080410|0.069123|0.080780|0.066255|0.076468|0.078065|0.078221|0.072163|0.078009|0.082328|0.073164|0.087939|0.201967|0.127758|0.132142|0.205396|0.142729|0.500000| |2.345376|3.731037|0.086479|2.718693|2.646902|2.758162|4.618877|3.387464|4.852928|3.198613|3.035550|2.633508|2.431567|2.501626|2.850728|20.319250|5.683962|2.859989|4.110283|6.705005|5.521424|4.914084|5.643422|12.444898|17.626817|8.898041|49.756686|11.829206|8.343419|6.812628|5.948614|4.586371|4.278728|35.544504|0.058752|0.065303|0.063853|0.066395|0.084743|0.074547|0.077565|0.063957|0.069172|0.072976|0.068425|0.060890|0.063597|0.080794|0.068590|0.081465|0.140888|0.107979|0.129221|0.142502|0.127362|0.302703|0.500000| |3.311190|5.520112|0.139580|3.862238|3.688866|3.846709|6.647587|4.294044|5.866763|3.459401|3.084286|2.576737|2.392249|2.540576|3.038279|23.269227|5.792539|2.779297|7.050425|12.304979|8.841166|6.852004|5.736659|9.563973|8.887604|17.572172|32.696664|6.981025|6.743352|4.532955|3.809014|3.420948|3.601450|31.561576|0.079136|0.092840|0.089524|0.088681|0.120603|0.106314|0.105367|0.084880|0.090221|0.102769|0.065535|0.059008|0.064507|0.079157|0.067886|0.074904|0.174212|0.139911|0.202664|0.132300|0.129043|0.173575|0.217430|0.500000| |3.101279|5.382509|0.128158|3.859235|3.934848|4.074773|7.492977|5.548899|8.510945|4.824736|4.263657|3.359202|3.010801|3.167341|3.921066|28.142324|8.164076|3.682211|6.858879|9.991738|8.781914|5.499904|4.894405|7.682594|8.903562|17.550192|28.520006|6.809257|5.806148|3.755026|3.389622|2.989046|2.965761|24.075627|0.076454|0.083346|0.083321|0.090983|0.128020|0.099904|0.120879|0.089674|0.098214|0.101466|0.083712|0.072254|0.077580|0.103290|0.086505|0.098743|0.214635|0.122977|0.139752|0.128179|0.107962|0.215669|0.213666|0.300736|0.500000| |1.702552|2.564119|0.057208|1.895158|1.815548|1.868528|2.916096|2.147057|3.025204|2.121420|2.098565|1.944807|1.835873|1.846701|1.981237|13.947978|3.883163|2.097838|2.428543|4.162591|2.901963|2.935083|3.517429|6.371654|4.646556|3.515924|45.686840|12.997804|8.415915|8.934464|17.769527|8.561888|5.733665|37.606253|0.043710|0.048088|0.046564|0.047987|0.056905|0.053127|0.052276|0.045739|0.048355|0.050625|0.052433|0.047870|0.048370|0.059463|0.052111|0.061263|0.077801|0.071116|0.080444|0.093098|0.093272|0.121178|0.158833|0.096580|0.091431|0.500000| 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