Version2.1 2021-01-12T15:22:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 06-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE O=S(=O)(Nc1ccccc1)c5ccc4N(c3nc(CCCC2CCCC2)cs3)CCc4c5 84868 CHEMBL55541 RHF 6-31G(d) (6D,7F) O=S(=O)(Nc1ccccc1)c5ccc4N(c3nc(CCCC2CCCC2)cs3)CCc4c5 C01[X(C25H29N3O2S2)] 177 C1 546 O=S(=O)(c1ccc2c(c1)CCN2c1scc(n1)CCCC1CCCC1)Nc1ccccc1 O=S(=O)(c1ccc2c(c1)CCN2c1scc(n1)CCCC1CCCC1)Nc1ccccc1 O=[S](=O)(Nc1ccccc1)c2ccc3N(CCc3c2)c4scc(CCCC5CCCC5)n4 InChIKey=UBEDCHWEFAXZEN-UHFFFAOYSA-N InChI=1S/C25H29N3O2S2/c29-32(30,27-21-10-2-1-3-11-21)23-13-14-24-20(17-23)15-16-28(24)25-26-22(18-31-25)12-6-9-19-7-4-5-8-19/h1-3,10-11,13-14,17-19,27H,4-9,12,15-16H2 InChI=1/C25H29N3O2S2/c29-32(30,27-21-10-2-1-3-11-21)23-13-14-24-20(17-23)15-16-28(24)25-26-22(18-31-25)12-6-9-19-7-4-5-8-19/h1-3,10-11,13-14,17-19,27H,4-9,12,15-16H2 O=S(=O)(Nc1ccccc1)c5ccc4N(c3nc(CCCC2CCCC2)cs3)CCc4c5 C01[X(C25H29N3O2S2)] 177 C01 546 O=S(=O)(c1ccc2c(c1)CCN2c1scc(n1)CCCC1CCCC1)Nc1ccccc1 O=S(=O)([C]1[CH][CH][C]2[C]([CH]1)CCN2C1=[N][C](=CS1)CCCC1CCCC1)N[C]1[CH][CH][CH][CH][CH]1 O=[S](=O)(N[C]1[CH][CH][CH][CH][CH]1)[C]2[CH][CH][C]3[C]([CH]2)CCN3c4scc(CCCC5CCCC5)n4 InChIKey=UBEDCHWEFAXZEN-UHFFFAOYSA-N InChI=1S/C25H29N3O2S2/c29-32(30,27-21-10-2-1-3-11-21)23-13-14-24-20(17-23)15-16-28(24)25-26-22(18-31-25)12-6-9-19-7-4-5-8-19/h1-3,10-11,13-14,17-19,27H,4-9,12,15-16H2 InChI=1/C25H29N3O2S2/c29-32(30,27-21-10-2-1-3-11-21)23-13-14-24-20(17-23)15-16-28(24)25-26-22(18-31-25)12-6-9-19-7-4-5-8-19/h1-3,10-11,13-14,17-19,27H,4-9,12,15-16H2 3355.3640677111 -2071.6237939 1-A 29635.3297 124 422 546 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.20611 -91.98095 -20.54911 -20.54878 -15.62152 -15.60473 -15.55708 -11.35617 -11.30855 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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 6391.6120 48603.1347 51493.6393 0.99997 -0.00707 0.00302 0.00702 0.99986 0.01503 -0.00313 -0.01501 0.99988 1 0.01355 0.00178 0.00168 0.28236 0.03713 0.03505 11.48 15.81 26.91 29.94 35.69 47.03 49.09 69.75 80.65 110.71 128.33 146.15 173.54 189.30 196.30 210.75 251.07 267.79 289.57 322.73 333.60 359.21 404.89 422.53 450.72 458.89 483.78 505.57 538.73 576.75 631.05 637.42 659.74 664.71 675.24 681.07 755.50 781.60 806.03 825.77 851.34 896.62 921.66 928.74 960.46 969.83 976.67 980.96 1004.47 1064.32 1068.82 1111.02 1129.98 1143.52 1150.16 1162.80 1190.68 1198.95 1209.66 1279.36 1289.35 1301.25 1308.83 1318.37 1340.97 1357.45 1365.85 1366.80 1384.38 1401.00 1434.02 1467.69 1499.46 1501.39 1502.76 1532.75 1537.58 1572.23 1574.89 1577.62 1585.42 1599.56 1603.99 1621.30 1624.07 1627.55 1639.60 1654.52 1703.94 1704.76 1710.98 1719.07 1747.88 1754.00 1774.63 1784.53 1803.89 1829.98 1861.95 1867.99 1894.31 1899.77 1907.67 1909.91 1923.15 1951.02 1954.64 1959.69 1981.97 2001.30 2007.57 2028.61 2058.50 2069.96 2082.50 2086.11 2098.50 2100.42 2111.01 2123.06 2132.06 2132.78 2139.30 2148.33 2175.70 2218.57 2226.01 2250.76 2252.36 2288.91 2340.09 2346.75 2352.03 2353.15 2359.81 2365.68 2368.61 2376.91 2383.50 2404.96 2406.52 2408.55 2434.22 2547.39 2561.75 2578.74 2599.67 2601.52 4548.42 4565.91 4586.17 4597.52 4608.69 4611.04 4616.19 4622.04 4629.48 4642.15 4655.91 4660.97 4668.60 4672.47 4684.82 4694.45 4706.58 4711.49 4792.07 4829.95 4843.55 4860.94 4878.71 4889.64 4910.29 4922.90 4949.42 4968.59 5500.02 0.541672 0.569449 0.570393 0.475517 -2071.082122 -2071.054345 -2071.053401 -2071.148277 3.182157D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2021 DUDE O=S(=O)(Nc1ccccc1)c5ccc4N(c3nc(CCCC2CCCC2)cs3)CCc4c5 84868 CHEMBL55541 RHF 6-31G(d) (6D,10F) C1 467.170121 |X|Y|Z| 160.639879 51.613678 34.149065 65.664756 30 6 7 16 25 3 2 |73.516695| |23.722311|388.023441| |13.560142|94.722613|73.516695| |13.651655|82.166669|13.924000|53.358707| |11.011168|50.093878|8.938317|18.207234|36.858105| |7.894023|36.558457|7.215049|10.647363|13.731459|36.858105| |6.446936|27.571946|5.633595|7.001498|7.932929|13.753360|36.858105| |6.423626|25.554967|5.190723|6.177051|6.867587|7.938064|13.758424|36.858105| |7.814614|29.140216|5.739298|7.010979|7.952513|6.887819|7.951224|13.741246|36.858105| |10.887006|40.313363|7.428077|10.652982|13.723832|7.923152|6.862577|7.916942|13.761245|36.858105| |13.109852|76.790834|13.086364|9.421477|5.711184|4.998814|3.884023|3.473259|3.695141|4.590124|36.858105| |11.495793|49.595239|8.836991|7.309532|5.246311|4.774740|4.000919|3.698497|3.914905|4.600856|13.779374|36.858105| |7.843297|33.597937|6.805495|5.442433|4.024640|3.995551|3.554519|3.259228|3.282080|3.600934|7.904666|13.715542|36.858105| |6.591041|29.962679|6.579612|4.943215|3.516360|3.603166|3.173615|2.831184|2.793347|3.060321|6.909232|7.992496|13.751614|36.858105| |5.193145|22.982427|5.268068|3.946342|2.847715|2.978905|2.726278|2.452792|2.381521|2.535684|4.609678|5.110710|7.563517|13.679266|53.358707| |4.551870|19.410430|4.430454|3.403361|2.520883|2.648997|2.516539|2.311341|2.227948|2.310731|3.646652|4.198720|6.010698|7.609680|18.982341|36.858105| |3.923713|16.646093|3.893029|2.941412|2.164441|2.268133|2.172303|2.010478|1.939591|2.001259|2.987950|3.303373|4.317710|5.253037|11.243859|14.869670|53.358707| |3.559046|14.805996|3.444026|2.652833|1.983002|2.080863|2.038334|1.915599|1.840602|1.866739|2.572728|2.880237|3.645516|4.049209|7.405137|8.637890|18.757872|36.858105| |3.095709|12.841786|3.036067|2.313753|1.719563|1.796881|1.765455|1.669000|1.608138|1.627999|2.166193|2.363148|2.852866|3.141481|5.427304|5.301282|10.465991|12.684276|36.858105| |3.012412|12.424193|2.969710|2.206337|1.619278|1.665853|1.621853|1.544010|1.508182|1.539954|2.076380|2.242397|2.661501|2.921575|4.914972|4.484997|8.362116|7.526070|12.417566|36.858105| |2.656881|10.942089|2.640193|1.960262|1.437222|1.478090|1.444828|1.380097|1.347824|1.372007|1.788775|1.903065|2.196206|2.385893|3.869456|3.335863|5.757373|4.897396|7.482542|12.447193|36.858105| |2.548374|10.449048|2.543765|1.858501|1.351802|1.376345|1.338580|1.284775|1.265784|1.295175|1.688253|1.779738|2.019690|2.179878|3.444915|2.855160|4.701486|3.736429|4.850839|7.416171|12.459879|36.858105| |2.287955|9.377478|2.294862|1.681936|1.224158|1.247599|1.217605|1.170904|1.152319|1.175674|1.492894|1.560378|1.743001|1.868652|2.898225|2.352952|3.761182|2.963683|3.725229|4.830323|7.412910|12.421251|36.858105| |2.213128|9.019170|2.216892|1.609686|1.166733|1.179779|1.148775|1.110347|1.100239|1.125583|1.422137|1.481154|1.635725|1.737797|2.645363|2.110973|3.284942|2.536873|3.013268|3.826587|4.981431|7.868969|12.410346|36.858105| |2.344733|9.481414|2.318146|1.679441|1.218310|1.225239|1.192908|1.158672|1.153682|1.180853|1.499112|1.575603|1.745382|1.835595|2.781325|2.236956|3.454393|2.688075|3.131117|4.100548|4.954081|7.769342|7.764900|12.284188|36.858105| |2.551608|10.334545|2.505403|1.827695|1.331472|1.344648|1.310671|1.269733|1.259667|1.287343|1.658713|1.763288|1.988763|2.099967|3.245644|2.686059|4.260132|3.414790|4.134250|5.973725|7.346988|12.389742|7.965516|7.704883|12.326206|36.858105| |3.703740|15.191934|3.465995|2.742213|2.088987|2.199062|2.190538|2.079967|1.988634|1.989281|2.633351|3.045237|3.890742|4.039001|6.856564|7.839613|11.278206|14.237005|7.515727|5.329278|3.889992|3.122842|2.565072|2.251496|2.413976|2.999247|36.858105| |4.532669|18.669944|4.135979|3.344766|2.576113|2.722751|2.688772|2.527438|2.412648|2.428521|3.392336|4.157943|5.850106|5.765980|9.396678|10.895670|10.131291|7.515857|4.750657|3.902286|3.007321|2.572183|2.159458|1.951494|2.090704|2.503277|10.947822|388.023441| |4.711464|21.277564|5.138322|3.660764|2.565217|2.670440|2.416967|2.166271|2.111572|2.267891|4.062368|4.074408|5.149322|8.103201|17.625340|7.807110|9.456333|4.628352|3.754030|3.538343|2.865779|2.592946|2.195193|2.002209|2.069312|2.382456|3.990393|33.078523|36.858105| |5.320251|25.364802|6.309119|4.326475|2.918231|3.022271|2.629401|2.311387|2.266596|2.497047|4.964764|4.479222|5.153309|8.004487|10.936648|5.200661|6.146342|3.421481|2.889757|2.755813|2.333636|2.163789|1.882933|1.747981|1.799295|2.019388|3.137156|26.602314|12.398043|36.858105| |6.863746|33.827252|7.897419|5.467093|3.643028|3.689572|3.107512|2.721243|2.706512|3.054444|7.999627|6.901897|7.874493|13.615385|11.391806|5.268568|5.706207|3.297631|2.713353|2.577373|2.169739|2.017128|1.755313|1.644387|1.717511|1.928930|3.191090|29.132067|7.999902|12.621948|36.858105| |8.854666|49.511959|11.555610|7.292737|4.445590|4.254341|3.382840|2.954792|3.021357|3.580861|13.641213|7.893467|6.793766|7.918341|7.261905|3.922959|4.423218|2.702515|2.284880|2.193982|1.887909|1.779815|1.570725|1.488892|1.556374|1.722864|2.675927|23.961933|5.115251|7.313368|13.911622|36.858105| |10.183459|61.239502|13.656898|25.949181|9.210584|7.238126|4.780306|4.040243|4.308904|5.847959|6.120393|4.636563|3.668095|3.506097|3.880531|2.438460|2.895960|1.908192|1.674771|1.595559|1.423942|1.349866|1.225561|1.170913|1.214589|1.318749|1.950898|16.712780|2.714538|3.288480|4.033496|5.390899|0.500000| |7.167936|35.283488|7.365829|9.775643|8.914423|17.705210|8.907854|5.643824|4.958826|5.639684|5.114090|4.631075|4.019225|3.831181|4.328772|2.768874|3.231723|2.148209|1.855625|1.714840|1.521284|1.413060|1.280679|1.206690|1.246908|1.369267|2.238156|19.616933|2.905524|3.383122|4.083054|4.700856|0.213377|0.500000| |5.446478|23.500679|4.983836|5.679859|5.647534|8.933411|17.719869|8.908367|5.647929|4.946808|3.431200|3.540187|3.308152|3.045866|3.666268|2.515851|2.979042|2.065992|1.794592|1.631636|1.458089|1.342426|1.224361|1.149280|1.187849|1.306927|2.220547|19.159455|2.400494|2.583253|2.968363|3.125841|0.112779|0.215342|0.500000| |5.420318|21.340053|4.460696|4.917689|4.949436|5.645095|8.913202|17.720504|8.905778|5.637256|2.954301|3.181431|2.909130|2.554527|3.087477|2.180834|2.609374|1.853383|1.625157|1.497710|1.345374|1.249871|1.143270|1.083128|1.129352|1.236896|2.026719|17.230609|2.006848|2.104898|2.427873|2.575403|0.091661|0.124088|0.214567|0.500000| |7.057185|25.252577|5.112351|5.685605|5.657101|4.959901|5.650917|8.911799|17.720003|8.947245|3.202810|3.431683|2.936752|2.504590|2.953045|2.059342|2.464526|1.736566|1.528410|1.440516|1.293159|1.218971|1.112780|1.066387|1.120930|1.220201|1.882280|15.997720|1.930468|2.045018|2.408553|2.653873|0.099020|0.107627|0.124115|0.214706|0.500000| |12.921293|41.993666|7.792372|9.818001|8.943344|5.650581|4.950646|5.631413|8.884512|17.767673|4.406476|4.351654|3.373934|2.873667|3.252762|2.181039|2.591383|1.777292|1.560045|1.491538|1.332479|1.267293|1.151438|1.108796|1.166679|1.266359|1.884363|16.172273|2.157877|2.372328|2.888232|3.418182|0.149055|0.124317|0.107489|0.123873|0.214642|0.500000| |13.173510|47.386804|8.156706|7.231824|5.527703|4.760457|4.135824|4.049625|4.504520|5.308380|8.948957|17.758636|8.934881|5.674898|5.599074|3.619186|3.983946|2.641181|2.194803|2.089028|1.789191|1.680323|1.481682|1.413758|1.509954|1.682325|2.847133|27.094277|3.352549|3.578006|4.970633|5.632502|0.121701|0.120417|0.098948|0.096211|0.110983|0.142267|0.500000| |6.905025|27.896473|5.733513|4.687319|3.596072|3.600190|3.374136|3.194789|3.198903|3.372577|5.654776|8.965590|17.806295|8.827179|9.058944|6.278141|6.084710|3.956902|3.029216|2.796836|2.284436|2.084023|1.789469|1.675706|1.803129|2.074127|4.469156|52.054424|4.497595|4.198806|5.597945|4.918470|0.087447|0.098139|0.088153|0.081055|0.081169|0.088032|0.217279|0.500000| |2.987455|12.522072|2.983773|2.275355|1.686287|1.775317|1.740853|1.631621|1.563211|1.584533|2.103935|2.256512|2.693600|3.025060|5.249840|4.877862|9.527622|9.017316|17.526987|8.843029|6.891327|4.550782|3.666838|2.918776|2.915574|3.692458|5.898528|29.780082|3.806676|2.936921|2.679715|2.251120|0.046127|0.051388|0.049492|0.044114|0.041115|0.042050|0.057872|0.077744|0.500000| |2.925747|12.033608|2.833574|2.186482|1.639152|1.715202|1.705161|1.625053|1.561476|1.565664|2.001327|2.193873|2.610781|2.790934|4.628286|4.404668|7.705621|8.981149|17.545647|8.818928|6.840535|4.505192|3.620117|2.929228|3.050616|3.998817|7.180515|31.189777|3.150602|2.525830|2.419219|2.079071|0.043839|0.048860|0.048303|0.044323|0.041458|0.041662|0.057431|0.078002|0.302884|0.500000| |3.079369|12.549271|2.981007|2.213624|1.628421|1.662165|1.621918|1.558124|1.531770|1.561976|2.091855|2.288714|2.715801|2.903547|4.759076|4.356631|7.555228|6.899945|8.872593|17.532082|8.819811|6.730689|4.460144|3.757041|4.318821|6.610766|5.459849|28.488857|3.309383|2.626464|2.527480|2.175056|0.044144|0.047123|0.045050|0.042022|0.040840|0.042203|0.059813|0.080690|0.173904|0.212189|0.500000| |3.158090|13.133335|3.163385|2.310293|1.677735|1.719821|1.655405|1.566581|1.536096|1.583593|2.215307|2.366556|2.818448|3.180805|5.464908|4.836076|9.301219|6.947690|8.869427|17.544933|8.838189|6.832289|4.523788|3.720558|3.946925|5.427042|4.845978|27.507476|4.110703|3.106447|2.837109|2.380242|0.046564|0.049467|0.046086|0.041911|0.040581|0.042683|0.060467|0.080675|0.211956|0.173683|0.303615|0.500000| |2.589256|10.749671|2.606557|1.938606|1.419430|1.468304|1.433842|1.361121|1.323019|1.347395|1.754765|1.848253|2.124283|2.336991|3.810423|3.231634|5.605060|4.602171|6.951877|8.877771|17.495343|8.887449|6.886453|4.543534|4.180795|5.434854|3.620035|20.326054|2.891575|2.359687|2.154314|1.870040|0.039347|0.042237|0.040391|0.036851|0.035149|0.036242|0.048039|0.060685|0.210759|0.172440|0.173608|0.210877|0.500000| |2.543604|10.413399|2.500354|1.877966|1.386821|1.428796|1.408351|1.352378|1.317738|1.331876|1.689571|1.807895|2.075408|2.215870|3.536550|3.064080|5.119142|4.549410|6.844503|8.841987|17.485198|8.873029|6.783128|4.676230|4.701517|6.758948|3.825499|20.612424|2.562542|2.124514|2.006136|1.763559|0.037803|0.040657|0.039574|0.036832|0.035254|0.035901|0.047645|0.060560|0.170565|0.205113|0.211913|0.173421|0.303709|0.500000| |2.636939|10.871876|2.665097|1.921571|1.386870|1.408208|1.359036|1.299152|1.283404|1.322115|1.762743|1.842273|2.088972|2.285984|3.628487|2.948096|4.869304|3.672138|4.551583|6.869880|8.901668|17.467233|8.912341|6.995363|6.784236|8.875288|3.023736|18.259544|2.803138|2.327266|2.138774|1.877992|0.038874|0.040319|0.037764|0.034935|0.034230|0.035991|0.047967|0.059177|0.121710|0.111956|0.168805|0.207590|0.212920|0.174197|0.500000| |2.241428|9.243351|2.272687|1.664182|1.208617|1.235668|1.203836|1.152554|1.131324|1.155748|1.469742|1.524333|1.697929|1.836197|2.854405|2.291772|3.669248|2.838825|3.549101|4.395296|6.466367|8.666532|17.547267|8.667031|5.611637|5.650723|2.438847|14.766111|2.197666|1.892458|1.742507|1.557834|0.033835|0.035390|0.033714|0.031235|0.030274|0.031391|0.040053|0.048038|0.101218|0.094454|0.108479|0.118449|0.194213|0.159434|0.216013|0.500000| |2.212450|9.039480|2.201911|1.630682|1.193893|1.220051|1.198110|1.155368|1.133909|1.150552|1.434598|1.506659|1.681567|1.787015|2.759724|2.259919|3.586221|2.899090|3.680219|4.539563|6.977879|8.844190|17.498480|8.788406|6.544829|6.945394|2.555267|15.094566|2.059779|1.775269|1.669338|1.499340|0.032959|0.034699|0.033551|0.031468|0.030482|0.031251|0.039940|0.048269|0.100063|0.103777|0.118460|0.112497|0.178666|0.209163|0.174521|0.302286|0.500000| |2.215045|9.059464|2.241544|1.612736|1.162429|1.173112|1.136806|1.096108|1.088144|1.118109|1.425831|1.473239|1.619797|1.732054|2.629921|2.067639|3.204698|2.415835|2.815313|3.539107|4.394427|6.605605|8.823638|17.544390|8.747626|6.085440|2.134038|13.392410|2.021019|1.774774|1.656515|1.501946|0.032675|0.033417|0.031549|0.029616|0.029251|0.030642|0.038930|0.045712|0.076839|0.074577|0.095187|0.099661|0.115942|0.110368|0.191249|0.220160|0.174697|0.500000| |2.071628|8.422701|2.070800|1.510531|1.097266|1.109776|1.084283|1.050843|1.040910|1.061791|1.317844|1.370884|1.503597|1.586658|2.393092|1.901936|2.922062|2.265827|2.661081|3.235131|4.111116|5.669820|8.693500|17.565071|8.634558|5.773571|2.045372|12.680479|1.802725|1.592537|1.505806|1.373738|0.030528|0.031475|0.030164|0.028555|0.028095|0.029071|0.036519|0.042818|0.072030|0.073215|0.088795|0.086419|0.106806|0.112701|0.140097|0.194592|0.219535|0.303720|0.500000| |2.393222|9.667688|2.374866|1.701156|1.227088|1.227404|1.189140|1.155519|1.156130|1.189206|1.524857|1.595320|1.757771|1.849546|2.780708|2.204259|3.365932|2.557061|2.888477|3.745170|4.227536|6.220378|5.859102|8.724944|17.561486|8.727295|2.302502|14.510701|2.083179|1.823830|1.742357|1.585040|0.034166|0.034691|0.032764|0.031185|0.031206|0.032759|0.042439|0.050164|0.074958|0.076851|0.110110|0.104492|0.101806|0.108349|0.173174|0.130908|0.135951|0.228675|0.184868|0.500000| |2.246445|9.032190|2.202496|1.604932|1.168475|1.173681|1.147702|1.120338|1.116629|1.138642|1.418015|1.494747|1.646144|1.711525|2.565675|2.063528|3.138790|2.467471|2.835322|3.557488|4.189304|5.752662|6.048869|8.672946|17.565231|8.721199|2.267923|14.011692|1.887258|1.657876|1.598753|1.460251|0.032172|0.033048|0.031736|0.030431|0.030254|0.031291|0.040075|0.047471|0.073055|0.078593|0.106044|0.093271|0.099470|0.116955|0.138075|0.127740|0.160995|0.178847|0.223002|0.304339|0.500000| |2.495901|10.063984|2.424101|1.790522|1.313931|1.330444|1.306096|1.270225|1.256871|1.276146|1.611077|1.725631|1.947200|2.031903|3.126367|2.622071|4.123491|3.429109|4.195058|5.712171|7.020052|8.844270|6.816859|6.241121|8.759922|17.507463|3.091626|17.948535|2.252168|1.917338|1.850716|1.659075|0.035801|0.037498|0.036254|0.034531|0.033912|0.034809|0.046032|0.056997|0.102099|0.118978|0.182736|0.134142|0.142901|0.211015|0.174716|0.138094|0.195155|0.135048|0.145585|0.176668|0.226114|0.500000| |2.743645|11.075101|2.678536|1.940038|1.409542|1.416122|1.374785|1.333451|1.329120|1.363683|1.788932|1.912387|2.168410|2.283551|3.525477|2.921926|4.601394|3.632493|4.197167|6.177295|6.307020|8.654090|5.674920|5.686147|8.663136|17.567882|3.198996|19.243878|2.565625|2.160738|2.081023|1.853386|0.038742|0.039979|0.037895|0.035955|0.035751|0.037354|0.050628|0.063028|0.101482|0.109905|0.208555|0.163356|0.132751|0.156114|0.217441|0.124782|0.139427|0.139166|0.125036|0.223085|0.189268|0.303061|0.500000| |3.444604|13.963200|3.185204|2.543810|1.953963|2.054056|2.076970|1.999246|1.908908|1.885957|2.361086|2.721657|3.350073|3.362547|5.383460|5.473686|7.782988|8.760590|6.519992|4.800561|3.724114|2.999840|2.509636|2.207410|2.374769|2.939570|17.811076|54.898687|3.260664|2.674009|2.737203|2.363872|0.050147|0.057523|0.058650|0.054775|0.050676|0.049721|0.072334|0.107355|0.143652|0.202070|0.140890|0.116275|0.095271|0.106522|0.078787|0.065730|0.070820|0.057464|0.056289|0.062274|0.062933|0.086580|0.085889|0.500000| |4.169246|18.689025|4.531924|3.318317|2.358834|2.499082|2.300617|2.056171|1.978151|2.094678|3.413999|3.435220|4.225979|5.975072|12.369791|7.184872|9.962187|4.889185|4.073724|3.709035|3.036045|2.686036|2.287242|2.049973|2.084454|2.406031|4.052281|31.500646|17.666639|8.650804|5.854050|4.155256|0.068908|0.075907|0.064548|0.053452|0.050376|0.055083|0.080913|0.106964|0.120391|0.093708|0.093014|0.119249|0.087325|0.075085|0.080419|0.064374|0.059731|0.057400|0.051293|0.057681|0.052662|0.063343|0.070737|0.092097|0.500000| |4.501717|19.936517|4.886523|3.365401|2.340132|2.387100|2.172741|1.982593|1.957733|2.104546|3.693581|3.713068|4.569463|6.491701|12.361076|6.805752|9.172976|4.559969|3.835806|3.839851|3.081225|2.847970|2.371839|2.177967|2.266493|2.616297|3.827509|30.124419|17.581225|8.710886|6.395826|4.511599|0.068870|0.070989|0.059522|0.051252|0.050258|0.056404|0.086777|0.114187|0.106292|0.088256|0.100082|0.129614|0.085445|0.075059|0.087500|0.065723|0.060938|0.061539|0.053904|0.064054|0.056805|0.067506|0.079365|0.087694|0.302505|0.500000| |4.967851|23.893490|5.968458|4.292139|2.924161|3.121542|2.715734|2.341579|2.257251|2.468347|4.453173|3.990016|4.450240|6.311225|8.750097|4.580859|5.544824|3.190305|2.736745|2.558849|2.206330|2.031261|1.792265|1.655454|1.685964|1.881808|2.947545|24.611723|8.755235|17.542333|8.867494|6.289237|0.092821|0.099917|0.075372|0.059326|0.056231|0.064353|0.090719|0.103395|0.078788|0.067181|0.067100|0.078821|0.062767|0.056237|0.060222|0.050404|0.047218|0.046634|0.042155|0.047174|0.043315|0.049943|0.055229|0.070633|0.222367|0.175694|0.500000| |5.119787|24.344352|6.355417|4.076525|2.687866|2.721503|2.367383|2.109603|2.096087|2.324425|4.490952|3.929749|4.282692|5.936193|8.000742|4.243080|5.288358|3.032375|2.650672|2.605272|2.244740|2.125408|1.860923|1.745824|1.792323|1.986251|2.762767|22.587998|8.722552|17.591154|8.767386|6.519505|0.086673|0.083753|0.064214|0.053495|0.052977|0.062298|0.089630|0.099424|0.074877|0.064600|0.069109|0.082350|0.063101|0.056482|0.064241|0.052136|0.048375|0.049713|0.044155|0.050926|0.045744|0.051912|0.059082|0.066488|0.187185|0.222847|0.302197|0.500000| 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