Version2.1 2021-01-18T09:17:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 05-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1C)NC(=O)c2csc(n2)CN(C(C)C)C(=O)Nc3ccc(c(c3)Cl)Cl C00964819 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1C)NC(=O)c2csc(n2)CN(C(C)C)C(=O)Nc3ccc(c(c3)Cl)Cl C01[X(C23H24Cl2N4O2S1)] 162 C1 540 CC(N(C(=O)Nc1ccc(c(c1)Cl)Cl)Cc1scc(n1)C(=O)Nc1ccc(c(c1)C)C)C CC(N(C(=O)Nc1ccc(c(c1)Cl)Cl)Cc1scc(n1)C(=O)Nc1ccc(c(c1)C)C)C CC(C)N(Cc1scc(n1)C(=O)Nc2ccc(C)c(C)c2)C(=O)Nc3ccc(Cl)c(Cl)c3 InChIKey=NCTINXSEXLUXSW-UHFFFAOYSA-N InChI=1S/C23H24Cl2N4O2S/c1-13(2)29(23(31)27-17-7-8-18(24)19(25)10-17)11-21-28-20(12-32-21)22(30)26-16-6-5-14(3)15(4)9-16/h5-10,12-13H,11H2,1-4H3,(H,26,30)(H,27,31) InChI=1/C23H24Cl2N4O2S/c1-13(2)29(23(31)27-17-7-8-18(24)19(25)10-17)11-21-28-20(12-32-21)22(30)26-16-6-5-14(3)15(4)9-16/h5-10,12-13H,11H2,1-4H3,(H,26,30)(H,27,31)/f/h26-27H Cc1ccc(cc1C)NC(=O)c2csc(n2)CN(C(C)C)C(=O)Nc3ccc(c(c3)Cl)Cl C01[X(C23H24Cl2N4O2S1)] 162 C01 540 CC(N(C(=O)Nc1ccc(c(c1)Cl)Cl)Cc1scc(n1)C(=O)Nc1ccc(c(c1)C)C)C CC(N(C(=O)N[C]1[CH][CH][C]([C]([CH]1)Cl)Cl)C[C]1[S][CH]=C(N=1)C(=O)N[C]1[CH][CH][C]([C]([CH]1)C)C)C C[C]1[CH][CH][C]([CH][C]1C)NC(=O)c2csc(CN(C(C)C)C(=O)N[C]3[CH][CH][C](Cl)[C](Cl)[CH]3)n2 InChIKey=NCTINXSEXLUXSW-UHFFFAOYSA-N InChI=1S/C23H24Cl2N4O2S/c1-13(2)29(23(31)27-17-7-8-18(24)19(25)10-17)11-21-28-20(12-32-21)22(30)26-16-6-5-14(3)15(4)9-16/h5-10,12-13H,11H2,1-4H3,(H,26,30)(H,27,31) InChI=1/C23H24Cl2N4O2S/c1-13(2)29(23(31)27-17-7-8-18(24)19(25)10-17)11-21-28-20(12-32-21)22(30)26-16-6-5-14(3)15(4)9-16/h5-10,12-13H,11H2,1-4H3,(H,26,30)(H,27,31)/f/h26-27H 3568.9792597959 -2568.9869486 1-A 22355.3466 128 412 540 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.83061 -104.82866 -91.99375 -20.53264 -20.52818 -15.61996 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0.8561 0.8570 0.7700 0.7621 0.8339 0.6632 0.7826 0.5504 0.7414 0.8532 0.8472 0.8571 0.8541 0.8269 0.8504 0.8570 0.8370 0.8227 0.6861 0.7662 0.1649 0.6544 0.2950 0.2799 0.6752 0.6480 0.4920 0.6781 0.7077 0.4870 0.4176 0.1721 0.0652 0.0255 0.0652 0.8571 0.8571 0.8553 0.1318 0.8569 0.0580 0.8563 0.7695 0.8551 0.8343 0.7702 0.8144 0.5458 0.2954 0.3784 0.3860 0.4038 0.5245 0.3015 0.2788 298.150 1.00000 1 2 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 6 6 6 6 6 6 6 6 7 6 8 6 6 16 6 7 6 7 6 6 6 6 8 7 6 6 6 6 6 6 17 17 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 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 34.96885 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 17226.5810 27547.4059 37831.7469 0.99730 -0.07313 0.00656 0.07318 0.99729 -0.00813 -0.00595 0.00859 0.99995 1 0.00503 0.00314 0.00229 0.10476 0.06551 0.04770 6.66 13.59 16.87 26.46 48.13 53.68 67.27 85.52 96.63 104.88 129.03 155.37 185.38 185.55 211.31 215.72 246.11 262.13 274.03 299.90 316.26 333.80 344.41 354.04 363.93 378.35 408.86 417.41 436.14 468.16 494.88 520.61 527.71 549.31 564.90 621.61 634.71 674.09 678.92 712.02 713.85 717.81 727.72 744.51 766.64 790.24 812.94 843.94 872.72 925.27 927.51 946.13 980.00 986.92 1001.93 1071.84 1122.66 1133.33 1138.04 1148.01 1163.13 1210.37 1218.27 1252.13 1273.15 1308.95 1323.39 1326.39 1355.21 1366.42 1414.84 1453.84 1466.78 1473.17 1473.67 1492.13 1504.90 1520.57 1525.08 1526.27 1546.90 1571.19 1604.53 1623.98 1664.15 1682.87 1700.84 1740.33 1742.40 1762.78 1773.57 1777.52 1794.90 1814.72 1816.95 1849.33 1870.09 1884.37 1921.91 1927.08 1960.53 1987.02 2026.06 2030.65 2072.37 2100.63 2102.84 2131.80 2172.59 2220.64 2243.77 2244.35 2247.46 2263.36 2265.99 2273.40 2279.78 2339.19 2340.24 2347.26 2356.10 2358.99 2361.04 2362.95 2377.06 2382.02 2385.32 2417.05 2460.93 2466.09 2506.46 2544.66 2568.21 2589.19 2596.24 2623.88 2772.04 2802.91 4599.86 4607.09 4612.15 4637.69 4668.88 4675.33 4686.29 4702.19 4707.77 4710.03 4713.80 4732.61 4732.95 4768.81 4785.50 4810.28 4831.88 4842.07 4897.81 4968.03 5001.23 5003.10 5557.20 5655.07 0.471956 0.501845 0.502790 0.403867 -2568.514992 -2568.485103 -2568.484159 -2568.583081 3.317860D-04 MUNgauss RevisionA2.0 retrievium 18-Jan-2021 DUDE Cc1ccc(cc1C)NC(=O)c2csc(n2)CN(C(C)C)C(=O)Nc3ccc(c(c3)Cl)Cl C00964819 RHF 6-31G(d) (6D,10F) C1 490.099703 |X|Y|Z| 86.915599 112.885683 45.362818 76.350556 23 6 7 16 18 4 1 |36.858105| |12.604940|36.858105| |7.574109|13.745995|36.858105| |5.014407|7.876503|13.778526|36.858105| |4.412988|6.789968|7.943701|13.740215|36.858105| |4.997748|7.880231|6.919905|7.959139|13.695385|36.858105| |7.502019|13.617669|7.976003|6.868653|7.886328|13.726679|36.858105| |6.438930|7.530406|5.031680|4.445527|5.026886|7.621299|12.599189|36.858105| |3.328730|4.522526|5.202270|7.985227|13.528260|7.716991|5.110132|3.834573|53.358707| |2.843302|3.660615|3.905834|5.170709|7.644018|6.271095|4.308747|3.536055|19.183333|36.858105| |2.828681|3.586015|3.596958|4.425985|6.458638|6.508180|4.464770|3.870568|11.391028|15.859431|73.516695| |2.363206|2.907768|3.155538|4.033273|5.070985|4.229620|3.241551|2.768346|10.885374|12.742560|14.445253|36.858105| |2.072963|2.476357|2.613976|3.171193|3.850785|3.467341|2.768630|2.468885|7.133285|7.644502|11.945892|14.218736|36.858105| |1.803700|2.104774|2.251599|2.680368|3.048692|2.721142|2.273344|2.042808|5.343789|4.803671|7.494361|7.587414|11.061556|388.023441| |1.971155|2.332327|2.583936|3.180104|3.526462|2.966476|2.462961|2.143517|6.457424|5.294226|7.461070|8.678539|7.836663|77.681257|36.858105| |2.269083|2.761807|3.110248|4.014423|4.608820|3.674710|2.940331|2.485134|9.414271|7.596140|9.443191|13.792893|8.268586|53.269276|14.981709|53.358707| |1.802434|2.090727|2.335769|2.804586|2.950974|2.503641|2.151679|1.885494|5.038342|3.827898|5.650229|5.201905|4.868107|47.950546|12.588793|10.449912|36.858105| |1.899958|2.204793|2.527198|3.052914|3.073480|2.545115|2.214538|1.911494|5.123608|3.613569|5.279347|4.498807|3.921312|32.993549|7.671326|9.053333|13.185458|53.358707| |1.890023|2.174979|2.499969|2.972585|2.928959|2.444186|2.159360|1.866920|4.710902|3.246980|4.829503|3.818221|3.336447|26.773374|5.501400|7.091603|7.544279|17.636951|36.858105| |1.960305|2.273413|2.580594|3.083271|3.126606|2.626346|2.292834|1.985163|5.092110|3.566524|5.300365|4.189784|3.634426|28.246288|5.619587|7.556502|6.456487|10.377835|12.449202|36.858105| |1.652298|1.860007|2.099301|2.411559|2.371176|2.043680|1.842305|1.625078|3.689443|2.600047|4.008080|3.005840|2.765637|22.751883|4.185604|5.171439|5.799552|10.455051|12.435431|7.527741|36.858105| |1.938170|2.243435|2.599260|3.129746|3.075527|2.533022|2.225039|1.911565|5.012692|3.449065|5.071824|4.111081|3.570019|28.695532|6.034810|7.763983|8.041729|18.922956|7.549696|5.121136|5.642486|36.858105| |1.905433|2.204987|2.519949|3.020796|3.033653|2.529707|2.212006|1.913333|4.972171|3.526557|5.231531|4.262338|3.796347|30.771534|6.120713|7.692134|7.288508|11.559989|5.275055|4.095529|4.305692|15.847091|73.516695| |1.960357|2.241418|2.637065|3.108640|2.916141|2.408082|2.167152|1.856825|4.515440|2.997688|4.492641|3.349855|2.911817|22.374613|4.305824|5.891707|5.258342|11.109852|6.721143|4.548126|5.439190|13.860257|14.999142|53.358707| |1.943060|2.190414|2.575068|2.953102|2.716163|2.276985|2.089125|1.798596|4.051387|2.679450|4.102844|2.890141|2.549682|19.123766|3.441559|4.783104|3.929492|7.052014|4.507073|3.426324|3.982568|7.669438|11.854130|18.448695|36.858105| |1.835830|2.027198|2.367431|2.627449|2.384723|2.038683|1.909591|1.660783|3.454242|2.289127|3.573055|2.422428|2.168308|16.181780|2.810426|3.893084|3.190965|5.527509|3.879337|3.032576|3.666445|5.183252|8.081706|10.861557|13.688879|36.858105| |1.777908|1.931608|2.232642|2.414700|2.183935|1.899958|1.807322|1.586109|3.095016|2.061011|3.270046|2.142943|1.939658|14.289528|2.399170|3.338121|2.642683|4.330830|3.034082|2.497121|2.904988|3.914212|6.546566|7.079368|7.917175|13.828202|36.858105| |1.810716|1.965993|2.258701|2.433432|2.212361|1.935428|1.843935|1.621559|3.119781|2.085860|3.328394|2.152477|1.955129|14.253914|2.356997|3.298283|2.532435|4.021831|2.724923|2.295263|2.562049|3.680126|6.539984|6.180331|6.822360|7.939734|13.761371|36.858105| |1.913835|2.114366|2.438014|2.686672|2.469995|2.136056|2.004321|1.749176|3.539810|2.368633|3.743977|2.461199|2.221044|16.144970|2.694580|3.790552|2.859006|4.512866|2.920456|2.453771|2.665326|4.326944|8.130289|6.983102|7.937574|6.921367|7.993304|13.751689|36.858105| |1.988748|2.244583|2.620416|2.994901|2.777823|2.343104|2.149707|1.853256|4.118113|2.740950|4.227870|2.920557|2.590143|19.073363|3.328722|4.681400|3.600736|5.930103|3.652529|2.958585|3.216743|6.291543|11.900013|10.526011|13.728517|7.954112|6.883541|7.893464|13.744955|36.858105| |1.896020|2.079713|2.344253|2.543781|2.383951|2.108310|1.990260|1.758103|3.375496|2.298112|3.704424|2.352220|2.156140|15.397026|2.469591|3.485661|2.523409|3.775279|2.431109|2.123500|2.221490|3.453404|6.836331|5.048919|4.792612|4.246973|4.765972|6.993313|10.987334|7.123036|448.794386| |1.683890|1.788278|2.013937|2.108243|1.925475|1.725270|1.672549|1.494326|2.663535|1.798977|2.926369|1.830894|1.686622|12.189304|1.954577|2.731969|2.064606|3.170332|2.186349|1.902311|2.089948|2.762789|4.969452|4.373514|4.208401|4.783402|7.078642|10.980941|6.953644|4.730347|47.553373|448.794386| |17.535397|8.807127|5.882671|4.288561|3.944945|4.560810|6.642588|6.490916|4.169076|2.683593|4.822860|2.242572|1.992961|12.330351|1.870745|2.906357|1.709131|2.432319|1.758928|1.810651|1.548646|1.835055|3.244288|2.515558|1.847867|1.744482|1.704673|1.754998|1.860771|1.914916|15.068221|13.243494|0.500000| |17.533764|8.805379|5.879685|4.286137|3.943124|4.559699|6.641225|6.490798|4.169393|2.674027|4.787917|2.238091|1.983021|12.296911|1.873688|2.914115|1.716128|2.447912|1.806398|1.895994|1.589668|1.812277|3.153424|2.486432|1.795458|1.705248|1.646106|1.663168|1.746867|1.819794|13.820583|12.444946|0.302712|0.500000| |17.577569|8.859160|7.312854|4.778498|3.967909|4.170621|5.553177|4.727892|4.203813|2.619700|4.543722|2.229134|1.955168|12.303011|1.910109|2.973440|1.772195|2.574555|1.894178|1.943823|1.663015|1.942810|3.373463|2.717067|1.997848|1.909686|1.861806|1.890579|1.976676|2.036154|15.599399|14.181130|0.302173|0.302113|0.500000| |7.041531|8.934940|17.701732|8.978192|5.660795|4.975177|5.657087|4.090059|5.753326|3.290721|5.373531|2.786180|2.344134|14.752361|2.392479|3.838423|2.217983|3.319254|2.440801|2.476831|2.073293|2.534582|4.328887|3.595285|2.625380|2.463281|2.347662|2.363620|2.507234|2.652714|19.138922|17.025814|0.152880|0.152753|0.226110|0.500000| |4.098346|5.624547|8.929926|17.693157|8.899094|5.646183|4.947954|3.552868|10.003597|4.838455|7.076126|4.076599|3.173833|19.718725|3.427820|5.912520|3.093846|4.767127|3.418151|3.450599|2.710467|3.652668|6.118196|5.053460|3.498930|3.071346|2.768072|2.757727|3.057260|3.488481|22.457134|18.681407|0.099546|0.099453|0.114005|0.217239|0.500000| |4.080039|5.628985|4.984350|5.667793|8.941751|17.819729|8.936279|7.102778|9.571093|6.883429|15.015180|4.478201|3.782331|20.346190|3.003309|5.005820|2.487767|3.352911|2.346897|2.545915|1.977982|2.424316|4.350082|3.083743|2.129892|1.903543|1.773600|1.808663|1.999519|2.195173|15.965780|12.991469|0.107506|0.107460|0.095950|0.108037|0.124302|0.500000| |6.513800|6.685232|4.590855|3.970760|4.295898|5.907325|8.818567|17.536336|4.599737|3.120880|5.978180|2.513254|2.258857|13.515550|1.996188|3.117858|1.776674|2.460401|1.790160|1.915974|1.569720|1.794673|3.164528|2.389078|1.696785|1.582583|1.512093|1.534088|1.637509|1.730104|13.100907|11.395339|0.173360|0.211474|0.133238|0.107777|0.090376|0.153765|0.500000| |6.512800|6.685106|4.591901|3.972496|4.298152|5.909665|8.820933|17.537780|4.599285|3.136155|6.046788|2.519629|2.273619|13.560134|1.992635|3.108363|1.768910|2.444551|1.743906|1.828008|1.530169|1.816769|3.256368|2.414847|1.740785|1.613765|1.557081|1.605233|1.730187|1.811198|14.148668|11.998633|0.211435|0.173333|0.133227|0.107813|0.090442|0.153905|0.302683|0.500000| |4.727615|5.561923|4.195658|3.995837|4.797372|7.380856|8.852040|17.594349|5.265138|3.759236|7.713128|2.910877|2.636646|15.230845|2.202210|3.464319|1.912820|2.598866|1.852993|1.984172|1.614830|1.895584|3.394194|2.473527|1.748172|1.605307|1.527397|1.561985|1.692647|1.802944|13.700555|11.530859|0.132932|0.132928|0.103938|0.096192|0.090847|0.229239|0.301823|0.301913|0.500000| |3.080865|4.051408|4.910466|7.618348|9.296281|5.730498|4.267297|3.281404|26.036383|9.579837|10.898955|7.891154|5.078758|29.152060|5.444579|11.546221|4.302064|6.220721|4.139649|4.382820|3.107840|4.483589|7.692278|5.440169|3.480796|2.900319|2.541682|2.536138|2.898784|3.477407|21.554885|16.990986|0.078468|0.078621|0.081711|0.116500|0.233103|0.143571|0.082251|0.082075|0.090411|0.500000| |2.030444|2.404706|2.475633|2.930416|3.590404|3.404405|2.738026|2.506146|6.268032|6.730476|12.516108|8.811775|17.824259|54.755929|5.464850|7.790211|3.851170|4.375540|2.817720|3.065038|2.402544|2.988678|5.656453|3.422876|2.253082|1.947125|1.767339|1.791776|2.021440|2.308259|16.019254|12.601379|0.054703|0.054264|0.052747|0.061471|0.079598|0.106777|0.063508|0.064216|0.075807|0.118516|0.500000| |1.698226|1.951567|2.156761|2.547095|2.681197|2.319633|2.012015|1.783414|4.476431|3.432994|5.206465|4.527563|4.423794|44.239141|8.970625|8.259914|17.614669|12.536983|7.377794|7.042377|6.331644|5.873124|9.317214|5.954867|3.366548|2.860637|2.395313|2.271618|2.502460|3.051960|17.834450|15.137066|0.044664|0.045333|0.046368|0.057055|0.077045|0.064439|0.047102|0.046353|0.050396|0.103363|0.100151|0.500000| |1.691946|1.943261|2.153639|2.544987|2.666481|2.299973|1.997765|1.768517|4.447916|3.409360|5.169495|4.506351|4.446168|45.353341|9.005094|8.153352|17.638914|12.520993|5.731926|4.792003|5.002274|7.629614|14.382610|6.821364|3.929029|3.174333|2.662410|2.585820|2.949445|3.703403|21.124471|16.948473|0.044957|0.044649|0.046276|0.057105|0.077369|0.063731|0.046188|0.046530|0.049893|0.103039|0.100721|0.304249|0.500000| |2.015151|2.320643|2.724027|3.242024|3.077935|2.531620|2.259654|1.931003|4.823876|3.186653|4.732985|3.573949|3.054148|23.315272|4.628659|6.452728|5.667038|12.581250|17.621977|9.115515|8.884067|7.268456|8.927368|10.617916|5.123146|4.476894|3.402233|2.987587|3.162143|3.970348|20.604808|18.957491|0.051731|0.053216|0.056672|0.074982|0.106758|0.066292|0.051519|0.050167|0.052638|0.119580|0.072676|0.146870|0.128728|0.500000| |1.817556|2.092766|2.325641|2.741719|2.850228|2.456046|2.141997|1.885703|4.656794|3.424783|5.196546|4.155217|3.799904|31.113943|5.860222|7.220804|6.788911|9.057451|8.704288|17.570425|6.836192|4.522019|6.770151|5.291939|3.024022|2.689259|2.256199|2.097750|2.246347|2.674993|15.891865|14.145663|0.047000|0.049103|0.049731|0.061631|0.083017|0.067434|0.050584|0.048294|0.052918|0.107511|0.089088|0.240037|0.139562|0.175112|0.500000| |1.933850|2.215432|2.508919|2.927866|2.908546|2.480649|2.208767|1.923017|4.538585|3.131303|4.770254|3.495541|3.076451|23.250711|4.269608|5.884252|4.758955|7.599018|8.896269|17.562731|6.890398|4.195250|6.082127|5.453959|3.136199|2.885895|2.399719|2.180946|2.284320|2.693065|15.855517|14.682391|0.049334|0.052364|0.053608|0.067715|0.090523|0.066353|0.052155|0.049158|0.053050|0.105952|0.074263|0.143933|0.105886|0.223202|0.303200|0.500000| |2.178769|2.582382|2.959060|3.654328|3.775818|3.082366|2.627554|2.234888|6.393019|4.381541|6.277965|5.121846|4.166979|30.343809|6.260526|9.519951|6.174837|9.539233|8.790542|17.624190|5.483269|5.050217|7.403204|6.023853|3.403263|2.960227|2.466572|2.305006|2.497802|3.018454|17.566479|15.357474|0.055535|0.058349|0.059549|0.077458|0.113883|0.082602|0.059558|0.056574|0.062105|0.157270|0.095964|0.171040|0.127394|0.216364|0.300893|0.300945|0.500000| |1.600016|1.789228|2.022497|2.303663|2.241131|1.937149|1.760252|1.555767|3.446229|2.417497|3.749096|2.765263|2.557130|20.963862|3.781135|4.693999|5.200263|9.520376|8.746253|5.471921|17.551072|5.948345|8.044409|8.382488|4.534844|4.256232|3.287778|2.838430|2.919981|3.534819|19.095588|18.316805|0.041862|0.042558|0.044962|0.055956|0.072195|0.051912|0.041654|0.040999|0.042806|0.080426|0.062204|0.147452|0.134498|0.210759|0.139160|0.141265|0.122596|0.500000| |1.626826|1.816666|2.045057|2.316975|2.257723|1.962816|1.788497|1.583600|3.442097|2.407254|3.752856|2.709401|2.493537|19.922700|3.527720|4.512880|4.482373|7.583278|8.785117|6.907196|17.552728|4.428069|6.257747|6.142881|3.503769|3.372898|2.726454|2.384795|2.431569|2.856868|16.372779|15.886941|0.042181|0.043741|0.045661|0.056496|0.071958|0.052605|0.042830|0.041361|0.043559|0.079562|0.061086|0.136485|0.108948|0.213413|0.171959|0.207549|0.140720|0.300854|0.500000| |1.559634|1.751975|1.949916|2.231870|2.237547|1.954262|1.755790|1.564175|3.505792|2.538800|3.953811|2.992310|2.838296|24.282187|4.309962|5.068979|6.164742|9.336604|8.778654|6.786194|17.551094|4.981439|7.212164|6.106742|3.439454|3.144669|2.572770|2.320768|2.433501|2.900544|16.691067|15.458063|0.040812|0.041841|0.043324|0.053063|0.068459|0.053193|0.041954|0.040917|0.043508|0.080674|0.068585|0.210128|0.150419|0.173474|0.201335|0.167091|0.139644|0.302203|0.301700|0.500000| |1.909904|2.166554|2.544230|2.959828|2.756519|2.295345|2.083826|1.792816|4.208237|2.791748|4.221111|3.090722|2.705391|20.809803|3.941618|5.369760|4.883762|10.417986|7.795787|4.949451|6.576065|9.350110|10.884610|26.173307|9.419847|7.714167|4.958160|4.096291|4.311609|5.778397|25.672272|24.098855|0.049715|0.049818|0.054266|0.071391|0.097830|0.059937|0.047509|0.047419|0.048636|0.102428|0.065369|0.119542|0.125447|0.281065|0.114415|0.125237|0.127943|0.214151|0.153550|0.139331|0.500000| |1.773453|1.949913|2.268659|2.506063|2.279104|1.957058|1.837337|1.603907|3.299411|2.193365|3.431585|2.327679|2.090875|15.711474|2.729557|3.752231|3.152279|5.531900|4.139650|3.190895|4.077569|4.847287|7.240294|9.991869|8.881542|17.704192|8.980500|5.657849|4.976145|5.645723|27.497566|31.779915|0.046547|0.046151|0.051297|0.065682|0.081052|0.050861|0.042770|0.043084|0.043089|0.076814|0.052176|0.080372|0.085758|0.135522|0.078003|0.086142|0.084522|0.134679|0.106643|0.094502|0.235607|0.500000| |1.684593|1.806684|2.070277|2.202443|1.991700|1.753600|1.684701|1.490515|2.793459|1.868374|2.992264|1.931270|1.761083|12.958314|2.144376|2.975028|2.355914|3.804229|2.741477|2.296401|2.688597|3.294304|5.485169|5.742599|5.639524|8.948517|17.751344|8.958836|5.677541|4.960125|31.534716|54.473296|0.044873|0.043570|0.049242|0.060897|0.069308|0.045539|0.039731|0.040710|0.039807|0.063046|0.044891|0.060385|0.065680|0.085053|0.057945|0.062285|0.062597|0.084247|0.071591|0.066414|0.117171|0.216886|0.500000| |2.040641|2.334665|2.709724|3.160723|3.008376|2.520862|2.272762|1.953668|4.573988|3.079924|4.704474|3.329185|2.938896|21.556347|3.785471|5.348446|3.972382|6.303792|3.680217|3.036347|3.160669|6.835959|15.058583|9.514567|8.905099|5.652962|4.967764|5.648049|8.963857|17.846857|54.982930|31.436571|0.054807|0.051760|0.057332|0.074590|0.101255|0.066067|0.050198|0.052962|0.053180|0.107604|0.072121|0.090906|0.115106|0.107774|0.077061|0.075268|0.087540|0.094173|0.077075|0.080746|0.143535|0.123978|0.107820|0.500000| 2566.893758 -13196.828029 4743.425028 -251.457301 -6137.966544 3568.979517 -2568.987028 2.000815 406200000000000E 44F0A346362CB1DE 4470A346362CB1DE 41D13A227FFFFFFD B7B16C2614EA0800 43BC0AC2B770839B