Version2.1 2021-01-13T11:26:40Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc4ccc3c(OCCN2CCC(Cc1cccc(NS(C)(=O)=O)c1)CC2)cccc3n4 486945 CHEMBL497963 RHF 6-31G(d) (6D,7F) Cc4ccc3c(OCCN2CCC(Cc1cccc(NS(C)(=O)=O)c1)CC2)cccc3n4 C01[X(C25H31N3O3S1)] 183 C1 546 Cc1ccc2c(n1)cccc2OCCN1CCC(CC1)Cc1cccc(c1)NS(=O)(=O)C Cc1ccc2c(n1)cccc2OCCN1CCC(CC1)Cc1cccc(c1)NS(=O)(=O)C Cc1ccc2c(OCCN3CCC(CC3)Cc4cccc(N[S](C)(=O)=O)c4)cccc2n1 InChIKey=UZLFJOXUSYBNKZ-UHFFFAOYSA-N InChI=1S/C25H31N3O3S/c1-19-9-10-23-24(26-19)7-4-8-25(23)31-16-15-28-13-11-20(12-14-28)17-21-5-3-6-22(18-21)27-32(2,29)30/h3-10,18,20,27H,11-17H2,1-2H3 InChI=1/C25H31N3O3S/c1-19-9-10-23-24(26-19)7-4-8-25(23)31-16-15-28-13-11-20(12-14-28)17-21-5-3-6-22(18-21)27-32(2,29)30/h3-10,18,20,27H,11-17H2,1-2H3 Cc4ccc3c(OCCN2CCC(Cc1cccc(NS(C)(=O)=O)c1)CC2)cccc3n4 C01[X(C25H31N3O3S1)] 183 C01 546 Cc1ccc2c(n1)cccc2OCCN1CCC(CC1)Cc1cccc(c1)NS(=O)(=O)C C[C]1[CH]=[CH][C]2[C]([N]1)[CH]=[CH][CH][C]2OCCN1CC[C@H](CC1)C[C]1[CH][CH][CH][C]([CH]1)NS(=O)(=O)C C[C]1[N][C]2C=C[CH][C](OCCN3CCC(CC3)C[C]4[CH][CH][CH][C]([CH]4)N[S](C)(=O)=O)[C]2C=C1 InChIKey=UZLFJOXUSYBNKZ-UHFFFAOYSA-N InChI=1S/C25H31N3O3S/c1-19-9-10-23-24(26-19)7-4-8-25(23)31-16-15-28-13-11-20(12-14-28)17-21-5-3-6-22(18-21)27-32(2,29)30/h3-10,18,20,27H,11-17H2,1-2H3 InChI=1/C25H31N3O3S/c1-19-9-10-23-24(26-19)7-4-8-25(23)31-16-15-28-13-11-20(12-14-28)17-21-5-3-6-22(18-21)27-32(2,29)30/h3-10,18,20,27H,11-17H2,1-2H3 3179.1593068406 -1750.1423668 1-A 27764.1196 121 425 546 |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| -92.21068 -20.59189 -20.55342 -20.55299 -15.61300 -15.55348 -15.54785 -11.30344 -11.29612 -11.28907 -11.27692 -11.27011 -11.26542 -11.25878 -11.25455 -11.25260 -11.25208 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 5.7430 11.1875 16.9936 20.6621 23.7433 44.4916 49.5373 57.9469 66.2184 84.3385 93.8153 119.1716 128.5036 143.3035 165.8628 190.2697 223.0846 225.0086 230.2895 244.3693 252.0045 275.1644 280.6454 294.6598 296.6060 314.8325 322.4554 348.4717 361.9167 377.1165 388.2327 407.8489 431.5969 453.5947 466.0317 477.4296 491.9797 495.7722 506.2814 515.8850 520.6649 557.1365 558.9623 569.1470 587.6984 591.1118 601.5711 648.7016 669.0596 677.9569 685.1483 714.9283 739.5140 750.5007 782.4852 816.3538 828.3623 836.1359 841.3379 853.4599 880.9281 893.9494 903.6070 907.2218 910.5822 932.7187 949.5392 971.4253 983.8466 986.3739 1003.7823 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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 6 6 6 6 6 6 8 6 6 7 6 6 6 6 6 6 6 6 6 7 16 6 8 8 6 6 6 6 6 6 6 7 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 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 31.97207 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 10105.5546 43870.5094 48242.0982 0.99999 0.00428 0.00212 -0.00423 0.99974 -0.02262 -0.00222 0.02261 0.99974 1 0.00857 0.00197 0.00180 0.17859 0.04114 0.03741 8.26 16.10 24.45 29.73 34.16 64.01 71.27 83.37 95.27 121.34 134.98 171.46 184.89 206.18 238.64 273.76 320.97 323.74 331.34 351.59 362.58 395.90 403.79 423.95 426.75 452.97 463.94 501.37 520.72 542.59 558.58 586.80 620.97 652.62 670.52 686.91 707.85 713.31 728.43 742.24 749.12 801.60 804.22 818.88 845.57 850.48 865.53 933.34 962.63 975.43 985.78 1028.62 1064.00 1079.80 1125.82 1174.55 1191.83 1203.01 1210.50 1227.94 1267.46 1286.19 1300.09 1305.29 1310.12 1341.97 1366.18 1397.66 1415.54 1419.17 1444.22 1464.93 1482.45 1496.70 1501.68 1527.11 1556.43 1565.07 1567.27 1583.05 1589.32 1596.64 1606.15 1610.97 1612.42 1621.39 1622.62 1679.54 1680.30 1683.48 1713.69 1725.66 1736.22 1741.98 1756.84 1800.56 1812.87 1833.19 1834.96 1839.12 1854.88 1859.44 1887.79 1890.84 1899.84 1936.72 1940.20 1974.22 1994.66 2031.86 2040.25 2047.33 2060.88 2074.38 2084.12 2086.60 2110.70 2127.27 2135.53 2143.94 2171.75 2180.12 2197.15 2197.69 2212.60 2228.36 2233.38 2240.91 2244.31 2264.37 2278.73 2299.91 2301.20 2305.50 2329.68 2337.27 2344.03 2352.85 2357.74 2362.85 2367.81 2373.04 2376.37 2397.77 2402.05 2405.90 2420.76 2574.51 2575.61 2607.23 2611.34 2643.68 4446.18 4457.97 4499.33 4566.37 4596.53 4603.34 4609.64 4612.66 4620.62 4649.98 4663.98 4670.62 4674.00 4678.06 4680.37 4683.58 4701.71 4715.63 4777.19 4811.17 4818.43 4821.92 4829.36 4842.62 4852.68 4862.82 4894.86 4903.18 4912.70 4931.61 5513.56 0.568639 0.596604 0.597548 0.503465 -1749.573728 -1749.545763 -1749.544818 -1749.638902 3.155593D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE Cc4ccc3c(OCCN2CCC(Cc1cccc(NS(C)(=O)=O)c1)CC2)cccc3n4 486945 CHEMBL497963 RHF 6-31G(d) (6D,10F) C1 453.208614 |X|Y|Z| 147.711117 64.427434 42.362989 73.873760 26 6 7 8 23 2 1 |36.858105| |12.640116|36.858105| |7.523605|13.384700|36.858105| |5.053273|7.949494|14.061319|36.858105| |4.486582|6.955353|7.971161|13.446198|36.858105| |3.359248|4.574703|5.127657|7.626956|13.346015|36.858105| |2.973193|3.865948|4.631885|6.903794|8.156620|14.161984|73.516695| |2.443822|3.020475|3.457491|4.584284|5.225216|7.998702|24.143260|36.858105| |2.229557|2.675261|3.128815|3.987510|4.073929|5.223781|14.311517|12.541724|36.858105| |2.244786|2.667136|3.167991|3.963929|3.843749|4.569344|11.581467|7.669120|13.145619|53.358707| |2.122314|2.459001|2.944824|3.524820|3.247585|3.604252|8.483744|5.106213|7.884410|17.852642|36.858105| |2.099661|2.387402|2.851060|3.279726|2.955091|3.130163|6.877622|3.912681|5.067378|10.568267|12.487655|36.858105| |1.915052|2.158624|2.495084|2.833196|2.657772|2.854646|6.054366|3.583826|4.410901|8.862634|7.525592|12.435671|36.858105| |1.851384|2.043720|2.333932|2.558820|2.377709|2.470479|5.015459|2.865433|3.302642|5.982824|4.894479|7.532395|12.376226|36.858105| |1.663871|1.819074|2.026518|2.199715|2.096222|2.191343|4.343184|2.525442|2.827803|4.845826|3.736699|4.880947|7.414764|12.573555|36.858105| |1.496174|1.625151|1.796204|1.942629|1.864861|1.960761|3.878969|2.290580|2.586481|4.275299|3.359109|4.139293|5.818013|7.540030|13.688085|36.858105| |1.378306|1.487178|1.620320|1.739703|1.690526|1.777060|3.457582|2.047406|2.258631|3.608186|2.750875|3.211731|4.205927|5.012107|7.903602|13.775612|36.858105| |1.382619|1.488195|1.606323|1.716386|1.680457|1.759758|3.373941|1.984537|2.135580|3.383652|2.501868|2.884672|3.704349|4.409834|6.791703|7.906322|13.746103|36.858105| |1.510650|1.631355|1.763137|1.883933|1.841442|1.917818|3.660383|2.127665|2.261536|3.639899|2.643197|3.101550|4.028783|4.997444|7.874609|6.889142|7.986158|13.749104|36.858105| |1.494893|1.605346|1.710655|1.812328|1.788586|1.850881|3.464110|1.996861|2.068230|3.258271|2.317156|2.646493|3.266707|3.849529|5.141200|4.550073|5.152560|7.803072|13.396507|53.358707| |1.377420|1.457918|1.537836|1.605010|1.580508|1.616705|2.992460|1.709815|1.760147|2.716496|1.955006|2.207610|2.607127|3.045472|3.813668|3.580937|4.122633|5.757967|7.010781|15.794082|388.023441| |1.413135|1.481458|1.569839|1.619055|1.568642|1.580891|2.929837|1.648973|1.707715|2.649843|1.944401|2.239509|2.587873|3.144161|3.809219|3.505253|3.818384|4.807315|5.766838|9.505495|76.408216|36.858105| |1.387011|1.463544|1.526239|1.585340|1.574658|1.604652|2.929384|1.664973|1.684694|2.568917|1.821560|2.023403|2.341385|2.653790|3.155026|2.917897|3.227262|4.178571|5.017594|10.649808|94.778392|7.321812|73.516695| |1.261577|1.333214|1.406176|1.469748|1.449497|1.490640|2.770439|1.597219|1.657021|2.533713|1.840862|2.058369|2.424276|2.787304|3.511989|3.540828|4.352098|6.134030|6.060485|10.373568|94.893747|7.381409|13.606007|73.516695| |1.671013|1.819915|1.998351|2.151275|2.074450|2.155416|4.173238|2.404814|2.591330|4.330490|3.171138|3.917685|5.386228|7.534437|13.728344|7.986397|6.920357|7.916552|13.704799|10.703932|35.809377|4.839902|7.190152|7.638427|36.858105| |2.003952|2.299399|2.629969|3.059500|2.978625|3.309283|7.036641|4.304043|5.059831|10.546746|6.599984|7.642663|12.440001|7.438128|6.070325|4.768861|3.820856|3.607655|4.075420|4.697680|19.046888|2.560597|4.383968|4.355489|5.299697|36.858105| |2.026920|2.366382|2.711005|3.264661|3.277613|3.874100|8.778411|6.040779|7.871350|17.849137|7.944965|6.621677|7.544592|4.874276|4.179438|3.659722|3.091118|2.911700|3.147325|3.781330|15.971003|2.135273|3.751805|3.721510|3.754854|12.486943|36.858105| |2.973197|3.853724|3.964040|5.110344|7.883574|13.981536|14.085461|6.708532|4.401039|5.174068|3.037411|2.670297|2.526638|2.211519|2.016546|1.826186|1.681630|1.678597|1.819949|2.418410|11.090473|1.506374|2.776281|2.566305|2.007452|2.957066|3.460890|36.858105| |3.168284|4.066145|3.838593|4.543197|6.858826|7.926118|9.218509|4.477271|3.322343|4.086229|2.510486|2.281007|2.179044|1.962707|1.812839|1.647394|1.533626|1.544384|1.675768|2.258260|10.501361|1.429780|2.657274|2.426358|1.827538|2.503277|2.802717|13.438179|36.858105| |3.982751|5.333574|4.595489|5.126694|7.815245|6.789328|8.165360|3.765569|2.961850|3.762112|2.376843|2.205460|2.084760|1.911449|1.755696|1.588139|1.476456|1.489483|1.622981|2.195181|10.295912|1.418520|2.612093|2.368761|1.775216|2.349173|2.551721|7.861103|14.051861|36.858105| |5.198541|8.321241|6.987735|7.901175|13.585585|7.790802|9.337402|3.950935|3.179558|4.118734|2.627365|2.451840|2.262636|2.076476|1.870597|1.676359|1.541073|1.546408|1.692882|2.271551|10.627284|1.482404|2.677242|2.435612|1.877928|2.517966|2.705751|6.801179|7.947550|13.422623|36.858105| |7.927014|14.711282|7.988606|6.845757|7.887074|5.143646|7.128637|3.155126|2.689091|3.571802|2.360375|2.258195|2.080061|1.952098|1.761489|1.580415|1.456908|1.464922|1.604000|2.162247|10.239548|1.444770|2.586487|2.343696|1.774193|2.262027|2.364344|4.582007|5.264819|7.991325|14.038043|53.358707| |17.535955|8.870201|6.722716|4.637191|4.018062|3.098521|4.995857|2.329360|2.157388|2.936646|2.072355|2.040650|1.842577|1.778570|1.593921|1.443485|1.328100|1.324077|1.436355|1.923477|9.289112|1.344306|2.326042|2.139896|1.586623|1.901787|1.932157|2.737750|2.868269|3.493837|4.431267|8.303152|0.500000| |17.627184|8.932323|5.564269|4.207110|4.034091|3.120271|4.836122|2.279273|2.061742|2.803321|1.935358|1.908954|1.766199|1.710155|1.556477|1.406896|1.306201|1.316258|1.435295|1.947004|9.421164|1.352297|2.386995|2.160206|1.573006|1.860395|1.886454|2.868084|3.164016|4.051889|4.959334|10.436277|0.300018|0.500000| |17.536083|8.868664|6.732676|4.638846|4.015517|3.096476|4.990594|2.333837|2.161247|3.023126|2.117149|2.137840|1.958018|1.921836|1.725537|1.542249|1.419632|1.428740|1.569876|2.120259|10.238913|1.490278|2.579933|2.331923|1.741929|2.036780|2.022162|2.736518|2.867242|3.491942|4.427519|8.293745|0.302247|0.299990|0.500000| |6.995483|8.793854|17.721705|8.980721|5.637308|4.130905|7.074137|3.097027|2.927528|4.120900|2.922426|2.895527|2.496403|2.370811|2.039398|1.807990|1.623687|1.602334|1.755534|2.306791|10.892368|1.582497|2.687603|2.492558|1.997258|2.558929|2.588284|3.292443|3.162425|3.650350|5.013333|7.770796|0.191009|0.140451|0.191712|0.500000| |4.095809|5.626995|8.977583|17.756674|8.832591|6.975437|13.881589|5.098987|4.708793|6.529439|4.318483|3.937596|3.249272|2.867184|2.402706|2.113376|1.866002|1.820730|1.993838|2.572080|11.805323|1.678689|2.883764|2.709608|2.306397|3.453566|3.721131|4.664905|3.938043|4.152719|5.626197|6.725152|0.108442|0.096302|0.108553|0.214138|0.500000| |2.347806|2.875489|3.206319|4.123252|4.813602|7.178866|16.571905|17.575707|8.778606|9.468718|4.584783|3.734031|3.631178|2.924755|2.634941|2.374000|2.140799|2.100907|2.270896|2.923405|12.939054|1.731194|3.167123|3.007470|2.555053|4.643543|6.572298|6.832356|4.606846|3.771240|3.817788|4.151996|0.061388|0.061472|0.062839|0.079708|0.122675|0.500000| |2.316798|2.831128|3.154092|4.046254|4.715595|7.042305|16.547848|17.534531|8.918598|7.629631|4.214248|3.289617|3.037871|2.488390|2.233586|2.064069|1.869187|1.811694|1.919774|2.467619|11.177253|1.513346|2.730547|2.630954|2.132715|3.521370|4.716609|6.753908|4.547529|3.713984|3.750315|4.086541|0.061896|0.060694|0.060768|0.078547|0.120515|0.301403|0.500000| |1.985382|2.336195|2.660964|3.264116|3.383511|4.254997|10.279059|8.934018|17.406783|12.247182|6.577993|4.451455|4.115374|3.098103|2.735349|2.569190|2.267877|2.129781|2.217595|2.751924|12.254777|1.655520|2.924448|2.915465|2.496749|4.672732|7.341835|3.867073|3.003517|2.650516|2.764202|3.222814|0.053560|0.051567|0.053514|0.069685|0.103147|0.207248|0.222680|0.500000| |2.287605|2.739503|3.258079|4.145412|4.071671|4.978351|13.404488|9.032673|17.589397|12.533077|7.693397|4.865130|3.970800|3.068513|2.601049|2.400333|2.095927|1.971476|2.075030|2.586579|11.664815|1.610997|2.789660|2.754773|2.369803|4.213042|5.735958|4.085411|3.162468|2.886941|3.160345|3.688459|0.062378|0.058315|0.061204|0.085687|0.139838|0.174642|0.214987|0.302511|0.500000| |1.901870|2.172734|2.541345|2.977004|2.808881|3.137207|7.138395|4.514073|6.945605|12.252253|17.370997|8.838030|6.738992|4.489975|3.604809|3.405978|2.801633|2.497523|2.569441|3.041949|13.476628|1.870996|3.121159|3.219764|3.013318|5.745636|7.061925|2.741714|2.290559|2.151806|2.331622|2.865123|0.051861|0.048649|0.052554|0.070070|0.097833|0.114266|0.109067|0.188404|0.189367|0.500000| |2.250699|2.616700|3.201710|3.850235|3.429164|3.720785|8.834482|4.982155|7.353195|12.529077|17.575227|8.885098|5.501866|4.082341|3.180377|2.887464|2.413495|2.215846|2.337476|2.835769|12.736078|1.799951|2.989443|3.000154|2.762142|4.934191|5.726097|3.062104|2.539950|2.435666|2.739634|3.370302|0.061755|0.056485|0.061966|0.089302|0.135636|0.118131|0.117295|0.164001|0.241334|0.301857|0.500000| |1.975513|2.205801|2.615729|2.926731|2.618303|2.725337|5.837566|3.300939|4.186343|7.661912|8.878644|17.520530|8.800094|6.855988|4.579379|4.088258|3.156758|2.775529|2.914050|3.370545|14.996085|2.172568|3.411276|3.537723|3.604416|5.530163|4.943256|2.355240|2.046631|1.995357|2.212915|2.818835|0.053923|0.049921|0.056005|0.075115|0.096310|0.086813|0.079846|0.105958|0.116916|0.216372|0.213752|0.500000| |2.346255|2.685517|3.283708|3.774086|3.280139|3.367095|7.315502|3.911916|4.742855|9.528688|8.917047|17.521141|8.843853|6.963069|4.543563|3.712398|2.957533|2.740309|3.026122|3.595307|15.763363|2.279791|3.650900|3.616941|3.858266|6.843057|5.780810|2.804755|2.410166|2.369306|2.691944|3.399883|0.062980|0.058554|0.066989|0.093712|0.128410|0.103681|0.090372|0.111394|0.128191|0.174013|0.218224|0.302073|0.500000| |1.744679|1.952340|2.228193|2.515023|2.393174|2.596350|5.478034|3.344356|4.193816|7.820387|6.847936|8.919222|17.480976|8.888215|6.901833|6.399421|4.547657|3.795355|3.889681|4.235948|17.855235|2.459308|3.976786|4.258909|4.877183|8.922035|6.865020|2.342584|2.026465|1.924075|2.060424|2.578905|0.046917|0.045001|0.049256|0.061829|0.079252|0.093830|0.080796|0.114862|0.105438|0.200826|0.140352|0.215826|0.174307|0.500000| |1.785035|1.948999|2.229645|2.411829|2.214352|2.275527|4.607007|2.611698|3.033322|5.311194|4.612033|7.107289|8.870141|17.525567|8.947333|6.992079|4.693788|3.980953|4.266070|4.570061|19.831951|2.963336|4.311098|4.631937|5.797984|5.474983|4.083537|2.035131|1.818669|1.783083|1.943433|2.512415|0.048090|0.045703|0.051526|0.063797|0.075246|0.072630|0.063974|0.079500|0.080572|0.120678|0.111024|0.213140|0.179338|0.212274|0.500000| |2.014855|2.225009|2.555438|2.779363|2.548530|2.597421|5.206875|2.884936|3.224469|5.810727|4.562904|6.844875|8.848951|17.532430|8.906206|5.613632|4.198438|3.971144|4.758892|5.284893|22.000280|3.270946|4.882653|4.881451|7.270472|6.843329|4.565885|2.301589|2.056002|2.025879|2.226007|2.868207|0.053381|0.051416|0.058708|0.072459|0.086236|0.081986|0.069087|0.082038|0.083602|0.111161|0.109769|0.167356|0.207814|0.174218|0.304087|0.500000| |1.470560|1.597030|1.774360|1.922149|1.835163|1.932646|3.859992|2.288906|2.639415|4.341862|3.552338|4.369758|5.900400|6.996253|8.902239|17.703493|8.937019|5.637546|4.959386|4.926878|21.276450|2.979569|4.457869|5.326619|5.662815|4.500383|3.621666|1.792286|1.610339|1.551528|1.642057|2.107053|0.039663|0.038324|0.041950|0.049817|0.058525|0.064923|0.057595|0.073386|0.068856|0.103097|0.084805|0.125497|0.104921|0.197353|0.203811|0.141526|0.500000| |1.287348|1.383922|1.502189|1.608761|1.567155|1.649237|3.202764|1.904925|2.104533|3.294968|2.529949|2.878880|3.616311|4.090067|5.633329|8.934627|17.717826|8.948872|5.671991|5.679108|25.496201|3.332711|5.110048|7.047163|4.976581|3.284423|2.782071|1.568970|1.434866|1.379650|1.434225|1.848135|0.034601|0.033974|0.036710|0.041838|0.047832|0.055009|0.048836|0.059346|0.054651|0.072831|0.062295|0.079937|0.073193|0.111430|0.110866|0.096534|0.215995|0.500000| |1.295355|1.387381|1.484715|1.578806|1.555428|1.627466|3.091858|1.820017|1.937990|3.009139|2.210397|2.489158|3.084595|3.533428|4.914297|5.628507|8.875498|17.776104|8.926665|9.724439|43.400346|4.711708|7.787479|13.542346|5.641120|3.056938|2.563012|1.567042|1.452790|1.400751|1.444076|1.866611|0.034481|0.034430|0.037126|0.041064|0.046181|0.053565|0.046602|0.054002|0.049879|0.061590|0.055013|0.066856|0.066047|0.088164|0.090614|0.090480|0.123981|0.214608|0.500000| |1.589806|1.714021|1.821013|1.931589|1.915628|1.979050|3.676512|2.106071|2.150919|3.393601|2.369348|2.692071|3.293143|3.807540|4.795553|4.047545|4.296859|5.800864|9.182937|25.962050|61.258330|6.024185|13.779172|10.184497|7.312378|3.612010|2.898205|1.902170|1.780433|1.732533|1.791468|2.316674|0.041469|0.042296|0.046109|0.049844|0.055638|0.063480|0.052824|0.057925|0.054613|0.062665|0.059267|0.068916|0.075818|0.085181|0.090679|0.110424|0.091757|0.098580|0.146937|0.500000| |1.518107|1.589505|1.683880|1.728605|1.668364|1.668217|3.077677|1.714716|1.764072|2.748758|2.005913|2.322739|2.658267|3.245617|3.794317|3.336783|3.467226|4.212065|5.319667|8.797868|57.362100|17.629078|12.176602|9.705718|4.893649|2.653966|2.199389|1.582596|1.506253|1.503425|1.579061|2.103114|0.039928|0.040286|0.044757|0.047207|0.049632|0.050034|0.043511|0.047078|0.046240|0.052978|0.051763|0.062125|0.066800|0.068786|0.084149|0.097115|0.079406|0.083491|0.110755|0.173441|0.500000| |1.330912|1.384986|1.458028|1.494296|1.450044|1.456628|2.684856|1.508993|1.556867|2.386670|1.754403|1.995373|2.263000|2.687718|3.161271|2.993405|3.274553|3.976754|4.435598|7.113294|58.081003|17.614175|11.711756|12.026447|3.807676|2.235769|1.904709|1.394144|1.331850|1.324823|1.380026|1.839811|0.035256|0.035516|0.038979|0.040878|0.042838|0.043853|0.038739|0.042041|0.041017|0.047098|0.045487|0.054161|0.056377|0.060258|0.071564|0.077229|0.072582|0.082244|0.112662|0.129584|0.298642|0.500000| |1.406149|1.477010|1.578143|1.632472|1.571144|1.586734|2.968986|1.675568|1.757755|2.747581|2.047086|2.391405|2.786740|3.486729|4.341097|4.068571|4.453732|5.499504|6.327065|8.850466|57.331223|17.630582|9.669351|12.082546|5.362927|2.677587|2.211330|1.502797|1.416867|1.403532|1.473521|1.951554|0.037331|0.037210|0.041132|0.044398|0.047402|0.048581|0.042653|0.047399|0.046187|0.054969|0.052462|0.065172|0.067049|0.074060|0.092850|0.098949|0.095021|0.106649|0.144303|0.149716|0.297120|0.298974|0.500000| |1.813019|1.979794|2.175300|2.335350|2.244723|2.308253|4.428605|2.504870|2.648046|4.445670|3.184680|3.937102|5.160979|6.987350|8.918992|5.661491|4.974493|5.642859|8.925949|9.886519|34.346035|4.793964|7.351985|6.936212|17.689506|5.386184|3.789843|2.136626|1.952238|1.909980|2.033501|2.621004|0.047441|0.047299|0.052856|0.060289|0.069190|0.074286|0.061180|0.069602|0.067204|0.081782|0.077886|0.098449|0.112941|0.122633|0.148129|0.222128|0.124226|0.107890|0.124271|0.219215|0.145331|0.104757|0.139513|0.500000| |1.843575|2.090217|2.337139|2.668532|2.648497|2.937066|6.012876|3.724957|4.184956|7.659551|4.933861|5.529240|8.791173|6.719428|6.696370|5.327635|4.401789|4.246116|4.839485|5.462828|21.254144|2.757169|4.846194|4.867261|6.167105|17.554550|8.889527|2.716709|2.341802|2.187679|2.299354|2.827112|0.048524|0.048037|0.052110|0.063041|0.081446|0.114747|0.087602|0.112908|0.097898|0.128818|0.108399|0.123405|0.139605|0.215687|0.138132|0.167003|0.132443|0.102900|0.098637|0.116220|0.078385|0.066310|0.079818|0.165802|0.500000| |2.208539|2.556201|2.943122|3.434201|3.315627|3.609088|7.523417|4.331318|4.738967|9.519723|5.770400|6.845734|8.844351|6.881064|5.521912|4.174156|3.443717|3.381922|3.983251|4.776089|19.422556|2.644850|4.547143|4.333249|5.271231|17.515386|8.915700|3.167195|2.695862|2.562586|2.786371|3.408260|0.057564|0.056666|0.062842|0.079160|0.107173|0.131027|0.097019|0.116142|0.111750|0.132518|0.129256|0.139658|0.200936|0.174312|0.141850|0.207660|0.107342|0.082072|0.080360|0.105394|0.077900|0.063920|0.075791|0.163750|0.302002|0.500000| |2.062529|2.429051|2.732818|3.316171|3.480579|4.272586|9.397157|6.803709|7.315980|12.477340|5.717479|4.939534|5.514000|4.061247|3.674502|3.232066|2.838800|2.758089|3.011201|3.736219|15.801738|2.081147|3.779039|3.661395|3.493295|8.904344|17.588850|3.949121|3.139599|2.786668|2.891964|3.373914|0.054115|0.053771|0.056853|0.071059|0.101836|0.240137|0.145020|0.192387|0.145143|0.143873|0.128021|0.108468|0.129159|0.140829|0.095316|0.109762|0.087012|0.071262|0.068515|0.080884|0.059755|0.051750|0.059014|0.099865|0.215065|0.217938|0.500000| |1.829054|2.105079|2.379596|2.808231|2.829827|3.321040|7.324364|5.164210|6.948671|12.289956|7.091150|5.778062|6.767153|4.477689|4.024202|3.741892|3.188006|2.932859|3.056751|3.630925|15.455881|2.049491|3.602375|3.671710|3.534241|8.833948|17.369992|3.059982|2.519128|2.286378|2.389075|2.869402|0.048825|0.047588|0.050556|0.063570|0.087793|0.152103|0.120817|0.213884|0.147148|0.209921|0.144313|0.129402|0.132971|0.201915|0.107709|0.111298|0.105497|0.081234|0.072164|0.075801|0.057810|0.051060|0.059307|0.095380|0.216075|0.173914|0.302445|0.500000| |2.549067|3.174281|3.294848|4.124172|5.600446|8.952806|12.527926|7.407778|4.668491|5.280975|3.053062|2.641858|2.541192|2.197198|2.024970|1.851050|1.711802|1.705078|1.834988|2.431133|11.104279|1.493349|2.773247|2.585368|2.009523|3.008958|3.634866|17.767100|8.851551|5.642539|4.919153|4.958944|0.066078|0.068605|0.066045|0.078730|0.110110|0.224650|0.226863|0.118717|0.116395|0.078096|0.084011|0.064692|0.075355|0.066411|0.056014|0.062608|0.050540|0.044522|0.044318|0.052915|0.043294|0.038383|0.041436|0.058795|0.077753|0.087355|0.118243|0.090969|0.500000| |2.764102|3.377853|3.168042|3.615778|4.944508|5.665314|7.454685|3.894008|2.973044|3.657391|2.269717|2.071551|2.008057|1.818739|1.703537|1.561316|1.467055|1.482662|1.600490|2.169564|10.140248|1.370999|2.577950|2.352803|1.725034|2.303545|2.571286|8.872516|17.712421|9.030020|5.639449|5.774350|0.070199|0.078006|0.070181|0.074743|0.089752|0.113811|0.112861|0.076862|0.078203|0.058444|0.063247|0.051996|0.060087|0.052428|0.046879|0.052552|0.042345|0.038290|0.038991|0.047437|0.039959|0.035604|0.037632|0.050888|0.060847|0.068071|0.080348|0.065329|0.216322|0.500000| 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