Version2.2 2021-02-04T16:36:58Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 02-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccccc1NC(=O)CSc2nc3c(c([nH]n3)C)c(=[NH2+])n2c4ccccc4Cl C02927495 RHF 6-31G(d) (6D,7F) CCOc1ccccc1NC(=O)CSc2nc3c(c([nH]n3)C)c(=[NH2+])n2c4ccccc4Cl C01[X(C22H38Cl1N6O2S1)] 204 C1 564 CCOc1ccccc1NC(=O)CSc1nc2n[nH]c(c2c(=[NH2+])n1c1ccccc1Cl)C CCOc1ccccc1NC(=O)CSc1nc2n[nH]c(c2c(=[NH2+])n1c1ccccc1Cl)C CCOC1CCCCC1NC(=O)CSC2NC3NNC(=C3C(=[NH2+])N2C4CCCCC4Cl)C InChIKey=CHGSYPRPPIHBFE-UHFFFAOYSA-O InChI=1S/C22H37ClN6O2S/c1-3-31-17-11-7-5-9-15(17)25-18(30)12-32-22-26-21-19(13(2)27-28-21)20(24)29(22)16-10-6-4-8-14(16)23/h14-17,21-22,24,26-28H,3-12H2,1-2H3,(H,25,30)/p+1 InChI=1/C22H37ClN6O2S/c1-3-31-17-11-7-5-9-15(17)25-18(30)12-32-22-26-21-19(13(2)27-28-21)20(24)29(22)16-10-6-4-8-14(16)23/h14-17,21-22,24,26-28H,3-12H2,1-2H3,(H,25,30)/p+1/fC22H38ClN6O2S/h24-25H/q+1 CCOc1ccccc1NC(=O)CSc2nc3c(c([nH]n3)C)c(=[NH2+])n2c4ccccc4Cl C01[X(C22H38Cl1N6O2S1)] 204 C01 564 CCOc1ccccc1NC(=O)CSc1nc2n[nH]c(c2c(=[NH2+])n1c1ccccc1Cl)C CCO[C@H]1CCCC[C@H]1[NH][C](=O)CS[C@H]1N[C@@H]2N[NH][C]([C]2[C]([N@@]1[C@H]1CCCC[C@H]1Cl)[NH2])C CCO[C@H]1CCCC[C@H]1NC(=O)CS[C@H]2N[C@@H]3NN[C](C)[C]3[C](N)N2[C@H]4CCCC[C@H]4Cl InChIKey=XYUJDLZJFUINAM-ZVKWYXBYSA-N InChI=1S/C22H38ClN6O2S/c1-3-31-17-11-7-5-9-15(17)25-18(30)12-32-22-26-21-19(13(2)27-28-21)20(24)29(22)16-10-6-4-8-14(16)23/h14-17,21-22,26-28H,3-12,24H2,1-2H3,(H,25,30)/t14-,15-,16+,17+,21-,22+/m1/s1 InChI=1/C22H38ClN6O2S/c1-3-31-17-11-7-5-9-15(17)25-18(30)12-32-22-26-21-19(13(2)27-28-21)20(24)29(22)16-10-6-4-8-14(16)23/h14-17,21-22,26-28H,3-12,24H2,1-2H3,(H,25,30)/t14-,15-,16+,17+,21-,22+/m1/s1/f/h25H 3898.0101294877 -2188.4079777 1-A 21240.6181 130 434 564 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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 10872.6132 29244.2052 35084.7631 0.99994 0.00208 0.01061 -0.00220 0.99993 0.01153 -0.01058 -0.01155 0.99988 1 0.00797 0.00296 0.00247 0.16599 0.06171 0.05144 11.33 15.01 29.90 37.13 53.89 56.50 61.34 90.77 98.44 113.44 124.92 143.79 158.28 171.10 185.45 204.73 238.22 249.82 256.93 271.02 277.49 306.07 330.27 348.11 368.60 377.31 397.21 404.24 425.81 462.15 478.47 480.39 500.74 512.83 532.54 542.34 564.16 574.27 578.35 622.11 660.49 692.10 698.03 720.87 721.90 737.79 770.06 800.61 803.66 834.28 842.27 884.69 895.78 929.86 943.96 1039.62 1050.07 1065.70 1088.78 1112.13 1147.87 1153.16 1185.07 1208.84 1233.32 1245.94 1274.38 1277.21 1290.50 1306.88 1333.57 1340.15 1381.07 1395.43 1407.23 1414.60 1425.74 1427.92 1449.24 1460.03 1476.11 1507.46 1537.36 1554.54 1557.50 1574.24 1616.32 1622.95 1645.52 1655.40 1663.04 1675.75 1692.33 1695.61 1696.80 1709.63 1734.35 1759.60 1776.90 1789.21 1804.76 1825.56 1828.84 1829.79 1840.59 1856.98 1857.50 1861.37 1873.50 1914.20 1936.80 1945.49 1951.98 1997.23 2015.80 2018.81 2021.82 2050.69 2058.38 2066.61 2078.73 2096.35 2120.71 2121.98 2124.59 2136.67 2149.49 2166.25 2171.84 2172.40 2185.36 2190.62 2192.06 2202.49 2207.06 2211.79 2215.63 2224.16 2234.06 2243.90 2247.83 2297.85 2307.15 2319.36 2326.71 2337.50 2342.51 2344.67 2350.31 2353.15 2353.60 2355.38 2359.54 2364.92 2365.44 2367.57 2369.55 2384.24 2384.51 2395.81 2416.84 2421.51 2457.61 2492.95 2679.32 2811.11 4584.71 4592.15 4598.32 4602.38 4604.92 4608.81 4611.71 4615.54 4624.47 4635.11 4647.37 4663.46 4665.85 4669.17 4671.77 4673.75 4674.81 4675.72 4685.60 4701.15 4720.37 4721.74 4730.55 4734.02 4737.61 4748.35 4748.59 4751.47 4754.88 4758.06 4774.68 4952.59 5363.31 5373.39 5540.17 5548.62 5563.48 5718.30 0.657911 0.689304 0.690249 0.590366 -2187.750067 -2187.718673 -2187.717729 -2187.817612 3.350092D-04 MUNgauss RevisionA2.1 retrievium 04-Feb-2021 DUDE CCOc1ccccc1NC(=O)CSc2nc3c(c([nH]n3)C)c(=[NH2+])n2c4ccccc4Cl C02927495 RHF 6-31G(d) (6D,10F) C1 485.246549 |X|Y|Z| 121.909699 69.577514 39.210917 69.284814 25 6 7 16 19 5 1 |36.858105| |12.568592|36.858105| |8.043497|13.556413|73.516695| |5.170166|7.955649|24.103469|36.858105| |4.289673|6.049193|13.929839|12.440505|36.858105| |3.226438|4.202962|8.963240|7.516539|12.441923|36.858105| |2.904847|3.598216|8.014837|6.441413|7.550195|12.457026|36.858105| |3.137577|3.903312|9.080979|7.548307|6.468414|7.554703|12.453836|36.858105| |4.083995|5.237213|14.310186|12.424068|7.470782|6.392096|7.461944|12.421371|36.858105| |3.990760|4.656056|12.606673|7.837862|6.224600|5.176670|6.129103|7.634478|12.999383|53.358707| |3.331147|3.637539|8.783284|5.148006|4.350992|3.955490|4.850716|6.025100|7.748923|19.269485|36.858105| |2.912225|3.183038|7.307893|4.435880|3.741269|3.608373|4.568410|6.040364|6.733207|11.482552|15.878262|73.516695| |3.137210|3.226765|7.359528|3.994311|3.619031|3.245977|3.744486|4.156008|5.017185|10.751445|12.481511|14.243494|36.858105| |2.485036|2.518510|5.404308|2.993695|2.746574|2.590663|3.008182|3.336017|3.683483|6.537732|7.009123|12.060511|10.494119|388.023441| |2.301001|2.264374|4.694218|2.532837|2.402628|2.242953|2.499704|2.643158|2.909306|5.007463|4.588086|7.466364|6.880509|74.328276|36.858105| |2.492766|2.374456|4.853444|2.524659|2.369834|2.155950|2.334003|2.477822|2.813702|4.799101|4.176527|6.610595|6.113105|49.684380|13.283901|53.358707| |2.428619|2.285570|4.601889|2.380510|2.183201|1.992795|2.150613|2.335297|2.657633|4.360504|3.798282|6.308495|5.006003|43.195272|8.048911|17.967874|36.858105| |2.045586|1.953224|3.881899|2.057139|1.908491|1.782084|1.935372|2.088328|2.299324|3.659394|3.176482|5.525641|3.935951|37.100082|6.864380|10.639436|12.604609|36.858105| |1.931210|1.820356|3.545583|1.865691|1.730328|1.613177|1.727427|1.860020|2.046231|3.176520|2.670364|4.660868|3.166422|27.373868|4.667671|7.479837|8.206527|13.953593|36.858105| |2.097409|1.935760|3.736168|1.927844|1.779901|1.635275|1.727686|1.860013|2.081475|3.231262|2.660516|4.545500|3.157284|25.362219|4.265156|7.509122|8.363813|8.627336|14.185208|53.358707| |2.065659|1.890878|3.602908|1.851775|1.701925|1.562189|1.638973|1.769775|1.981629|3.024427|2.454373|4.219997|2.827783|22.119231|3.531154|5.967878|6.123683|6.150318|9.252900|25.992228|0.500000| |2.438712|2.227819|4.358339|2.210297|2.030191|1.835317|1.935912|2.087712|2.387931|3.807073|3.143315|5.200365|3.896018|29.906364|5.166918|10.632502|13.017614|8.138972|8.298178|18.355323|0.257420|53.358707| |1.690183|1.602524|3.083797|1.639768|1.530032|1.442379|1.540610|1.651199|1.786799|2.713643|2.249216|3.991943|2.571493|21.924291|3.560963|5.294043|5.005757|7.270123|12.707993|10.614395|0.195008|7.018866|36.858105| |1.888598|1.839288|3.677360|1.991875|1.875241|1.781424|1.961410|2.093420|2.248694|3.583448|3.147701|5.566493|3.891206|39.845430|7.800379|9.188190|7.491126|13.370857|7.515888|7.262412|0.118375|7.120321|5.721716|36.858105| |1.674975|1.638767|3.237782|1.770942|1.676315|1.612190|1.771825|1.882568|1.985958|3.084039|2.657436|4.800147|3.118372|30.241470|5.176198|6.253253|5.056696|7.964581|6.323116|6.060628|0.104364|5.523921|5.985515|14.241467|53.358707| |1.625130|1.582277|3.101042|1.690224|1.590668|1.527908|1.669168|1.783438|1.885283|2.888072|2.463706|4.478951|2.827872|26.466508|4.288311|5.499679|4.700702|7.434399|6.906952|6.326609|0.111476|5.425443|7.554122|9.469469|26.114924|0.500000| |1.592231|1.572819|3.110062|1.720581|1.640396|1.594713|1.763558|1.862297|1.935064|2.987790|2.570641|4.691868|2.967581|28.743957|4.718729|5.440200|4.166110|5.772750|4.756477|4.926426|0.087296|4.624733|4.649152|9.324596|26.104348|0.316181|0.500000| |1.965086|1.936952|3.928517|2.147905|2.047186|1.951240|2.172703|2.291063|2.447125|4.001042|3.572095|6.198773|4.639551|50.652545|12.726372|10.581816|6.688622|7.985225|5.200418|5.817509|0.097757|6.269921|4.123012|14.259065|11.174719|0.165185|0.205945|53.358707| |1.755825|1.751883|3.526097|1.963044|1.909685|1.856210|2.074558|2.140720|2.219993|3.559085|3.094549|5.441853|3.799845|37.504242|7.277362|6.923371|4.405987|5.100466|3.895678|4.479503|0.078370|4.670119|3.404219|7.829612|9.448950|0.141645|0.215226|17.368985|36.858105| |1.671155|1.693799|3.418490|1.942642|1.887980|1.873908|2.133750|2.210892|2.230805|3.508114|3.076901|5.647200|3.553127|35.492550|5.372920|5.331942|3.587936|4.066990|3.248873|3.775437|0.068024|3.892496|2.953857|5.710295|7.748638|0.125024|0.194774|10.107932|12.300180|36.858105| |1.733282|1.788173|3.652077|2.118757|2.085425|2.106878|2.456478|2.508234|2.467183|3.899491|3.432184|6.336361|3.854575|36.565230|4.926388|4.894769|3.196733|3.359521|2.736761|3.315269|0.060573|3.514533|2.465746|4.258393|5.460691|0.093991|0.125717|7.531857|7.293679|12.421158|36.858105| |1.699096|1.753926|3.561771|2.065800|2.087937|2.113248|2.429901|2.392263|2.349113|3.725044|3.144100|5.551789|3.576443|30.247526|4.457867|4.608641|2.898196|2.963409|2.468829|3.063276|0.056126|3.279606|2.227036|3.620639|4.603590|0.080291|0.103155|6.392678|6.294024|7.510957|12.463964|36.858105| |1.818907|1.853085|3.765575|2.139654|2.169815|2.139792|2.408950|2.364749|2.397625|3.905158|3.270542|5.518294|3.979505|32.583040|5.541566|5.625818|3.316592|3.308867|2.718111|3.411824|0.061642|3.731470|2.391798|4.015341|4.853575|0.083580|0.104612|7.513194|7.257541|6.397152|7.541108|12.430441|36.858105| |1.742280|1.743911|3.500962|1.953931|1.945874|1.894055|2.099513|2.106973|2.173577|3.501819|2.949263|5.031423|3.634492|31.681295|6.161702|6.278385|3.738652|3.959392|3.205076|3.903135|0.069278|4.172567|2.821228|5.143069|6.248633|0.103046|0.135738|10.028891|12.345481|7.550264|6.509505|7.638527|12.468035|36.858105| |1.795531|1.762325|3.494640|1.906414|1.904349|1.814061|1.957767|1.957631|2.067155|3.336689|2.727880|4.518627|3.426590|27.428958|5.786971|6.973194|3.965730|4.042821|3.385130|4.280710|0.075193|4.650731|2.925787|4.765939|5.599781|0.095973|0.112520|8.308819|6.875919|4.587437|4.095820|4.608115|6.862369|10.557284|448.794386| |17.570946|8.861071|12.905150|4.824439|3.827659|2.989607|2.795584|3.120444|4.117538|5.521098|3.499323|5.494410|3.290799|18.735055|2.412697|3.593982|2.632802|2.197200|2.081541|3.099128|0.062672|3.619261|1.811693|2.001103|2.406841|0.047885|0.046418|2.804344|1.817584|1.728888|1.778278|1.721437|1.838821|1.778736|14.670571|0.500000| |17.565229|8.856590|12.848518|4.783376|4.241719|3.168066|2.867409|3.017622|3.890444|5.511332|3.392283|5.150218|3.327547|18.396155|2.451999|3.667005|2.572801|2.139552|2.011892|2.994493|0.059738|3.535343|1.746402|1.972251|2.362827|0.046545|0.045732|2.813724|1.842561|1.732549|1.794723|1.776304|1.929107|1.846713|15.499946|0.300707|0.500000| |17.559262|8.862927|10.221071|4.215587|3.677251|2.877658|2.569784|2.734681|3.391105|4.448372|2.803407|4.460505|2.664310|15.514692|2.047886|3.014933|2.174760|1.861511|1.779280|2.632368|0.053362|3.011235|1.575840|1.721464|2.099413|0.041769|0.040799|2.420501|1.602609|1.528094|1.578016|1.551627|1.654809|1.593038|13.222932|0.300535|0.300771|0.500000| |8.849389|17.516061|16.566994|7.202094|5.282609|3.990427|3.450667|3.854995|4.986548|5.659074|3.355683|5.421860|2.918754|16.745632|2.095319|2.965436|2.131630|1.847661|1.732535|2.494188|0.050049|2.828610|1.539463|1.742874|2.132520|0.042246|0.041867|2.477653|1.652951|1.614007|1.701354|1.655590|1.727698|1.632265|13.123621|0.211989|0.173314|0.212667|0.500000| |8.865848|17.542706|16.468127|7.069059|6.564707|4.444821|3.587671|3.666344|4.599683|5.650557|3.262212|5.092327|2.945297|16.507634|2.121461|3.007011|2.100240|1.813613|1.692354|2.439613|0.048536|2.789166|1.499294|1.724204|2.102276|0.041329|0.041371|2.484717|1.671960|1.617250|1.715948|1.704309|1.802024|1.684492|13.708639|0.173558|0.212301|0.213037|0.301623|0.500000| |4.495400|6.511223|12.480491|8.848581|17.556432|8.818899|5.498661|4.853064|5.474429|6.444288|3.551683|5.540546|3.089844|17.168856|2.167282|2.951287|2.011841|1.766078|1.620132|2.283163|0.044835|2.590645|1.441255|1.725919|2.112691|0.041108|0.042129|2.540990|1.746718|1.717563|1.875489|1.887961|1.969583|1.785346|14.205401|0.106675|0.122565|0.110510|0.156811|0.226796|0.500000| |3.101044|4.079863|8.207220|6.762660|8.841791|17.500946|8.854356|6.805901|5.638752|5.909610|3.456777|5.805499|2.845730|16.656561|2.031576|2.672853|1.844303|1.662412|1.518231|2.095519|0.041124|2.330860|1.367796|1.656001|2.056497|0.040031|0.041525|2.439826|1.706473|1.731309|1.928601|1.917434|1.925489|1.726521|13.278743|0.080140|0.082409|0.078368|0.113239|0.119854|0.214728|0.500000| |2.510964|3.036371|6.437748|4.835621|5.496202|8.819399|17.545920|8.854853|5.470469|6.347816|4.026161|7.088919|3.224568|19.425523|2.291486|2.888451|1.969060|1.802829|1.616236|2.184364|0.042374|2.416860|1.456511|1.843978|2.295753|0.044210|0.046988|2.770441|1.974247|2.061231|2.390023|2.366955|2.296244|1.998337|14.801500|0.067508|0.068655|0.062914|0.082544|0.084648|0.123283|0.215028|0.500000| |3.027871|3.808800|8.340354|6.835965|5.708470|6.838993|8.864650|17.503027|8.944646|7.628316|4.680453|8.650288|3.435268|20.480358|2.330113|3.009223|2.120673|1.915860|1.729552|2.358757|0.046203|2.618125|1.551267|1.910484|2.365273|0.046122|0.047760|2.801794|1.930135|1.998975|2.236145|2.127227|2.091533|1.890484|14.176452|0.083785|0.079023|0.074672|0.109543|0.099504|0.127824|0.201800|0.215324|0.500000| |4.628844|5.284423|14.954599|7.791645|6.501122|4.893655|5.209093|5.796777|9.111907|26.022575|9.514332|10.940484|7.637399|31.841927|3.689698|5.014415|3.286499|2.696861|2.357551|3.322488|0.063460|3.985382|1.999779|2.601428|3.026989|0.057887|0.059394|3.945426|2.561288|2.462026|2.691031|2.623889|2.828804|2.557838|20.167242|0.127851|0.136240|0.102180|0.123242|0.130749|0.141507|0.113479|0.112495|0.127950|0.500000| |2.997658|3.109538|7.002438|3.866289|3.735016|3.370221|3.865932|4.003764|4.629763|9.719660|8.862175|10.969186|17.580370|56.084808|6.561097|7.729409|4.364090|3.550930|2.895521|3.929184|0.071825|4.787487|2.388161|3.615433|4.004310|0.073437|0.078857|6.063698|3.846440|3.550886|3.975676|3.917017|4.541836|3.921545|29.898343|0.084763|0.090006|0.071331|0.077192|0.081104|0.088477|0.080326|0.092357|0.091238|0.204141|0.500000| |3.527275|3.476974|7.859724|3.974238|3.526067|3.046271|3.349565|3.719519|4.698432|9.537344|8.840684|11.031504|17.609441|56.186396|6.466121|9.387294|5.716273|4.135870|3.383737|4.779361|0.087384|6.215252|2.688787|3.839676|4.148592|0.077918|0.078848|5.947312|3.484257|3.158370|3.279427|3.086149|3.493487|3.332017|26.697124|0.104722|0.105904|0.082002|0.086006|0.086695|0.085586|0.075096|0.080148|0.088030|0.213547|0.302175|0.500000| |1.590519|1.515870|2.914893|1.559367|1.470744|1.393746|1.488909|1.579536|1.694092|2.575691|2.125800|3.762215|2.439466|20.803909|3.478951|5.042141|4.439899|6.387460|8.943854|8.302350|0.149759|6.064531|17.562880|5.743325|8.894080|0.228121|0.141663|5.695173|3.600992|3.067203|2.511713|2.292282|2.472167|2.989506|25.121296|0.046920|0.045827|0.041287|0.040368|0.039677|0.038524|0.036648|0.039254|0.041159|0.052764|0.064053|0.070002|0.500000| |1.659268|1.559883|2.969648|1.569636|1.463786|1.374977|1.455579|1.558114|1.691445|2.545359|2.077554|3.669597|2.346479|19.277585|3.077122|4.670582|4.334360|5.515025|8.914432|10.253825|0.218763|6.599618|17.616496|4.390140|6.089968|0.147683|0.102409|4.635962|2.881135|2.534460|2.170969|1.990268|2.137428|2.474686|20.959741|0.049481|0.047564|0.043265|0.041711|0.040557|0.038548|0.036358|0.038222|0.040895|0.052410|0.060759|0.068889|0.302695|0.500000| |1.646869|1.574201|3.035064|1.626653|1.510513|1.433558|1.540255|1.662400|1.786612|2.689476|2.244005|4.055471|2.516630|21.830804|3.372101|4.811026|4.502757|6.409158|8.897020|8.142509|0.157056|5.976334|17.573846|5.446632|8.271135|0.232483|0.134139|5.368226|3.309789|2.993481|2.492234|2.207141|2.316385|2.695464|21.583818|0.049156|0.046868|0.042659|0.042293|0.040823|0.039428|0.037905|0.040616|0.043551|0.054453|0.064371|0.072122|0.299585|0.301479|0.500000| |1.527817|1.546930|3.086726|1.756383|1.719345|1.716264|1.935850|1.986980|1.989066|3.072196|2.625619|4.811408|2.963062|27.627505|4.223387|4.495069|3.074646|3.516821|2.938852|3.427808|0.062470|3.465352|2.769501|4.756305|7.006221|0.116776|0.184181|7.635107|8.948606|17.511825|8.895309|6.736754|5.554976|6.684246|34.051979|0.043745|0.043935|0.039097|0.041090|0.041253|0.043800|0.044309|0.052430|0.050425|0.060227|0.082990|0.074593|0.081461|0.066580|0.078105|0.500000| |1.625977|1.687901|3.424762|2.007966|1.976883|2.027977|2.375155|2.426893|2.336879|3.592265|3.112829|5.901336|3.326264|30.254925|3.913439|4.117781|2.778961|2.937721|2.461396|2.990823|0.055387|3.127027|2.268269|3.620440|4.840716|0.085889|0.112639|5.932944|5.424635|8.918289|17.564114|8.837797|5.496897|4.890840|26.992305|0.046308|0.046398|0.041338|0.044991|0.045079|0.049526|0.052052|0.065319|0.060807|0.068254|0.093969|0.079588|0.064075|0.055908|0.064518|0.221036|0.500000| |1.551996|1.595773|3.198186|1.850303|1.875004|1.903613|2.158040|2.118323|2.074005|3.222201|2.667629|4.738389|2.981926|24.827518|3.733271|4.037181|2.597325|2.710565|2.309240|2.856088|0.052646|3.003854|2.128354|3.306386|4.377517|0.077028|0.099917|5.570782|5.636776|6.754973|8.822883|17.512157|8.844071|6.902415|34.728907|0.043624|0.044980|0.039678|0.042027|0.043238|0.047601|0.048430|0.058956|0.053071|0.063456|0.089370|0.073454|0.061602|0.053022|0.058651|0.197541|0.214930|0.500000| |1.749840|1.782050|3.584468|2.036186|2.100269|2.075313|2.299425|2.213412|2.236031|3.595400|2.910339|4.863813|3.461714|26.515471|4.449683|4.899876|2.918077|2.884793|2.441885|3.117153|0.056853|3.398999|2.175456|3.377610|4.166608|0.073356|0.089060|5.929268|5.415072|4.825201|5.492692|8.793838|17.586804|8.944848|52.892136|0.048704|0.051779|0.044478|0.046046|0.048618|0.053439|0.051846|0.061148|0.054696|0.073288|0.111178|0.086498|0.062747|0.054732|0.058189|0.125221|0.123263|0.215404|0.500000| |4.823110|7.537434|16.563121|17.503351|8.870507|6.815615|5.696853|6.867309|8.988209|7.754138|4.226840|6.912756|3.342585|18.824269|2.252487|3.057019|2.156484|1.891900|1.734986|2.436152|0.048156|2.752137|1.542105|1.831065|2.241898|0.043972|0.044546|2.655256|1.794095|1.789856|1.941040|1.882696|1.927395|1.775145|13.867268|0.126317|0.117920|0.114698|0.228055|0.187464|0.215130|0.200490|0.127529|0.204016|0.152086|0.089093|0.092495|0.040696|0.041187|0.042709|0.045293|0.051676|0.047291|0.051061|0.500000| |4.208845|5.442727|12.856476|8.873101|17.522292|8.832680|6.785235|5.667155|6.707315|9.287227|4.701358|6.852708|4.082473|21.191745|2.645765|3.552278|2.348495|2.032316|1.827586|2.562464|0.049617|2.955470|1.602971|2.002125|2.413842|0.046426|0.048143|3.013631|2.062718|2.015720|2.235351|2.268773|2.400439|2.129589|16.860101|0.104448|0.122501|0.099003|0.126048|0.162272|0.303915|0.173506|0.139251|0.131765|0.216297|0.122006|0.110243|0.042939|0.042464|0.043690|0.050759|0.058127|0.056165|0.064800|0.174148|0.500000| |2.906083|3.639763|7.405745|5.489882|8.841657|17.550096|8.800964|5.494038|4.800490|5.832950|3.434095|5.572654|2.957580|17.078037|2.131782|2.784507|1.875743|1.688969|1.532699|2.112189|0.041135|2.361191|1.376359|1.698539|2.101732|0.040573|0.042575|2.541178|1.798012|1.811306|2.042414|2.086786|2.117256|1.860578|14.360142|0.074217|0.080822|0.073275|0.094992|0.110100|0.212424|0.303828|0.210892|0.139981|0.116288|0.087369|0.077197|0.037159|0.036476|0.037885|0.046404|0.054661|0.052534|0.057827|0.139903|0.214770|0.500000| |2.840249|3.404859|7.667786|5.655817|6.791380|8.850880|17.522410|8.838819|6.695975|9.101099|5.388128|8.610130|4.272854|23.769793|2.783451|3.483078|2.305247|2.065923|1.823458|2.474003|0.047497|2.791805|1.615349|2.113296|2.577506|0.049104|0.052458|3.244908|2.287445|2.342947|2.745451|2.760765|2.758225|2.347853|17.469562|0.076006|0.079890|0.069396|0.088185|0.094396|0.139438|0.173763|0.303595|0.173709|0.159329|0.128323|0.103018|0.043547|0.042180|0.044663|0.058630|0.072754|0.067109|0.073131|0.131692|0.199474|0.214352|0.500000| |2.796887|3.317947|7.517788|5.512499|4.845426|5.492355|8.781896|17.617009|8.868847|9.572220|6.599018|13.378136|4.405261|26.338251|2.820396|3.510152|2.439968|2.207866|1.946856|2.614678|0.050532|2.916678|1.729691|2.241902|2.749313|0.052970|0.055839|3.356139|2.311225|2.434947|2.804069|2.613210|2.529225|2.244808|16.380653|0.078753|0.075430|0.068224|0.091078|0.086058|0.106827|0.139726|0.211843|0.304072|0.144814|0.115608|0.105518|0.045971|0.045006|0.048697|0.060328|0.075976|0.063763|0.064810|0.141124|0.126607|0.122949|0.212961|0.500000| |4.099580|5.067599|12.867982|8.923972|5.502466|4.860064|5.486553|8.871450|17.569875|12.494032|7.150170|12.320039|4.713486|25.985440|2.846438|3.788358|2.713050|2.350860|2.106553|2.921224|0.057183|3.332336|1.842051|2.270416|2.737129|0.053501|0.054153|3.300166|2.173849|2.190478|2.380068|2.223183|2.257167|2.088071|15.943888|0.120681|0.104992|0.095014|0.141885|0.118152|0.124095|0.128415|0.123750|0.221773|0.196741|0.114954|0.126372|0.048084|0.048546|0.051509|0.054270|0.062965|0.054875|0.058099|0.223918|0.138199|0.106758|0.137766|0.212386|0.500000| |2.261572|2.244154|4.651358|2.531892|2.466440|2.311932|2.571570|2.641836|2.870601|4.975948|4.394908|6.970656|6.532127|56.361121|17.823572|12.822779|5.825138|5.125159|3.830736|4.896518|0.084767|5.839616|3.065404|5.867631|5.928652|0.101232|0.115267|12.514577|7.209923|5.262429|5.156392|5.127713|7.230857|7.489662|57.226443|0.064749|0.067596|0.056017|0.057255|0.059205|0.061771|0.057572|0.065502|0.064229|0.103158|0.200409|0.164642|0.085037|0.075105|0.080407|0.117321|0.111185|0.116237|0.157890|0.062121|0.076669|0.061808|0.081039|0.077677|0.076165|0.500000| |2.321907|2.198981|4.412403|2.298260|2.196571|2.005739|2.145316|2.236707|2.505796|4.183023|3.502661|5.590313|4.830002|37.608983|9.550803|25.813349|9.354288|6.988214|5.350411|7.419739|0.119736|9.949004|3.884643|6.270296|6.089963|0.109163|0.108390|9.638557|5.038301|3.726550|3.371537|3.292243|4.144627|4.833260|49.009192|0.067523|0.070209|0.058016|0.056015|0.057535|0.056468|0.050854|0.054579|0.055854|0.089997|0.132982|0.147728|0.106180|0.096107|0.095284|0.089711|0.079066|0.081707|0.103062|0.057144|0.067325|0.053478|0.065316|0.064164|0.068360|0.236972|0.500000| |2.624503|2.483279|5.074292|2.617787|2.343176|2.130592|2.318236|2.579547|2.985715|4.919638|4.421677|7.426393|5.718056|49.540370|7.151971|12.662877|17.658557|8.847624|6.471048|8.962664|0.150327|12.470050|4.385431|6.208120|6.109260|0.118237|0.106250|7.851595|3.984446|3.457567|3.176610|2.821220|3.130259|3.380283|27.392536|0.080396|0.076188|0.064573|0.064659|0.062437|0.059479|0.054889|0.058593|0.064958|0.101415|0.128686|0.185221|0.106302|0.107618|0.116268|0.081712|0.077692|0.069657|0.076262|0.065812|0.069430|0.055003|0.068521|0.075316|0.086347|0.145916|0.182714|0.500000| |2.407173|2.187063|4.246889|2.147890|2.004325|1.806100|1.888577|2.004911|2.284939|3.652529|2.953605|4.813432|3.691097|27.275193|4.954413|10.479486|9.274655|6.567897|6.646070|13.229959|0.204655|25.847633|4.554314|4.729798|5.093091|0.100431|0.088577|5.945681|3.361626|2.750450|2.499358|2.391524|2.778392|3.120670|29.445074|0.071796|0.072334|0.060943|0.056200|0.056478|0.052507|0.046644|0.048113|0.051233|0.079178|0.096074|0.119918|0.115639|0.121318|0.106319|0.068684|0.061541|0.061123|0.071366|0.054391|0.060052|0.047800|0.055874|0.056732|0.064149|0.120370|0.231914|0.186030|0.500000| |1.634635|1.619030|3.216539|1.781409|1.732589|1.682599|1.857875|1.916191|1.988124|3.131631|2.668365|4.709647|3.197614|29.982422|5.641101|6.096297|4.096185|5.042274|4.041346|4.534816|0.079461|4.534049|3.683077|7.797503|11.194799|0.162274|0.270681|12.736268|17.664019|8.887787|5.493004|4.965515|5.538112|9.199564|52.394751|0.047047|0.047576|0.041762|0.042596|0.042995|0.044433|0.043295|0.049338|0.048542|0.063012|0.089178|0.083881|0.112916|0.085628|0.098631|0.232810|0.125219|0.134281|0.126796|0.045592|0.051661|0.045400|0.056284|0.057033|0.054440|0.151936|0.128345|0.100910|0.091266|0.500000| |1.681510|1.702271|3.435149|1.950015|1.866314|1.850045|2.111751|2.232660|2.259420|3.518333|3.129087|5.907832|3.538228|36.960209|5.149446|5.249698|3.733389|4.368995|3.472436|3.950203|0.071438|4.009529|3.183172|6.190657|8.786345|0.143317|0.226809|9.764318|8.790696|17.551505|8.833267|5.490938|4.834666|5.510707|31.058594|0.048729|0.048066|0.042704|0.045349|0.044823|0.047138|0.047816|0.056666|0.056436|0.067963|0.094511|0.087937|0.090308|0.074954|0.092178|0.303468|0.212982|0.138673|0.106702|0.050203|0.054822|0.049230|0.063600|0.068852|0.062578|0.130433|0.099335|0.102344|0.076920|0.203142|0.500000| |1.903347|1.976711|4.104683|2.394241|2.332019|2.349657|2.794308|2.899019|2.859626|4.619548|4.240634|7.940040|4.770943|47.871600|5.611785|5.389424|3.491555|3.539438|2.834797|3.470773|0.063352|3.756481|2.498234|4.355317|5.310920|0.092481|0.117051|7.807262|6.435915|8.816347|17.615673|8.858805|6.776821|5.663369|31.287642|0.054431|0.054658|0.047704|0.052128|0.052335|0.057495|0.059311|0.074646|0.070608|0.086911|0.134635|0.107651|0.069348|0.061232|0.070235|0.174323|0.304459|0.173665|0.139025|0.060383|0.069617|0.062524|0.087582|0.091640|0.076421|0.159684|0.099453|0.099076|0.073436|0.133952|0.216341|0.500000| |1.722658|1.801097|3.672886|2.164504|2.220434|2.286615|2.664584|2.566460|2.465889|3.886492|3.226134|5.687939|3.545347|28.190318|3.915955|4.183943|2.643696|2.637573|2.228803|2.811972|0.052025|3.033001|2.013017|3.102252|3.928841|0.070127|0.086403|5.295085|4.728080|5.483876|8.835022|17.573205|8.859768|5.544220|31.090206|0.048148|0.049928|0.043666|0.047225|0.048902|0.055450|0.057254|0.072805|0.062974|0.075423|0.109937|0.083957|0.057010|0.050537|0.055550|0.139105|0.211478|0.303922|0.211124|0.054707|0.067134|0.063194|0.085300|0.078069|0.063939|0.124803|0.082374|0.072666|0.061465|0.108102|0.123402|0.215566|0.500000| |2.025616|2.070963|4.277879|2.426598|2.459817|2.399018|2.722103|2.673318|2.747453|4.629722|3.931070|6.421641|5.026465|39.443386|6.634355|6.485545|3.655427|3.473461|2.810587|3.586015|0.064608|4.038851|2.415531|4.077674|4.715708|0.081968|0.098581|7.770120|6.395781|5.596804|6.765515|8.838357|17.593279|8.730785|50.387257|0.056839|0.060021|0.050663|0.053175|0.055756|0.061305|0.059204|0.070835|0.064594|0.093489|0.169164|0.118477|0.068159|0.060166|0.064849|0.128992|0.139057|0.173800|0.304222|0.059831|0.076731|0.065536|0.088189|0.079324|0.071020|0.267248|0.128547|0.097082|0.083381|0.134638|0.126456|0.198206|0.216110|0.500000| 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