Version2.1 2020-12-14T15:45:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)c1ccc(cc1)n2nc3cc(c(cc3n2)NC(=S)NC(=O)c4ccccc4)C C22565617 RHF 6-31G(d) (6D,7F) CC[NH+](CC)c1ccc(cc1)n2nc3cc(c(cc3n2)NC(=S)NC(=O)c4ccccc4)C C01[X(C25H27N6O1S1)] 174 C1 553 CC[NH+](c1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1ccccc1)CC CC[NH+](c1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1ccccc1)CC CC[NH+](CC)c1ccc(cc1)n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4)cc3n2 InChIKey=GTBHSLFCKOZIIY-UHFFFAOYSA-O InChI=1S/C25H26N6OS/c1-4-30(5-2)19-11-13-20(14-12-19)31-28-22-15-17(3)21(16-23(22)29-31)26-25(33)27-24(32)18-9-7-6-8-10-18/h6-16H,4-5H2,1-3H3,(H2,26,27,32,33)/p+1 InChI=1/C25H26N6OS/c1-4-30(5-2)19-11-13-20(14-12-19)31-28-22-15-17(3)21(16-23(22)29-31)26-25(33)27-24(32)18-9-7-6-8-10-18/h6-16H,4-5H2,1-3H3,(H2,26,27,32,33)/p+1/fC25H27N6OS/h26-27,30H/q+1 CC[NH+](CC)c1ccc(cc1)n2nc3cc(c(cc3n2)NC(=S)NC(=O)c4ccccc4)C C01[X(C25H27N6O1S1)] 174 C01 553 CC[NH+](c1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)c1ccccc1)CC CC[NH]([C]1[CH][CH][C]([CH][CH]1)[N@@]1[N][C]2[C]([N]1)[CH]=[C]([C](=[CH]2)C)NC(=S)NC(=O)[C]1[CH][CH][CH][CH][CH]1)CC CC[NH](CC)[C]1[CH][CH][C]([CH][CH]1)N2[N][C]3C=C(C)C(=C[C]3[N]2)NC(=S)NC(=O)[C]4[CH][CH][CH][CH][CH]4 InChIKey=ZCBDHQSHZSEWJB-UHFFFAOYSA-N InChI=1S/C25H27N6OS/c1-4-30(5-2)19-11-13-20(14-12-19)31-28-22-15-17(3)21(16-23(22)29-31)26-25(33)27-24(32)18-9-7-6-8-10-18/h6-16,30H,4-5H2,1-3H3,(H2,26,27,32,33) InChI=1/C25H27N6OS/c1-4-30(5-2)19-11-13-20(14-12-19)31-28-22-15-17(3)21(16-23(22)29-31)26-25(33)27-24(32)18-9-7-6-8-10-18/h6-16,30H,4-5H2,1-3H3,(H2,26,27,32,33)/f/h26-27H 3147.5693626714 -1761.2691034 1-A 33603.3579 121 432 553 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.93485 -20.59883 -15.85394 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0.8470 0.8041 0.8564 0.7763 0.7325 0.4798 0.8175 0.8556 0.4683 0.2367 0.4720 0.2475 0.4612 0.3460 0.5247 0.3580 0.2782 0.2934 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 57 58 59 60 6 6 7 1 6 6 6 6 6 6 6 6 7 7 6 6 6 6 6 6 7 7 6 16 7 6 8 6 6 6 6 6 6 6 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 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 31.97207 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 4788.1644 58127.8885 59477.1878 0.99999 0.00285 0.00361 -0.00287 0.99997 0.00692 -0.00359 -0.00693 0.99997 1 0.01809 0.00149 0.00146 0.37692 0.03105 0.03034 19.63 20.92 25.36 42.51 50.52 67.09 86.07 96.97 103.65 115.25 125.12 141.48 158.52 179.83 214.68 239.58 258.32 269.39 285.64 299.98 307.95 365.75 380.82 383.07 407.39 415.55 480.31 510.92 536.15 545.09 550.77 587.22 592.49 619.15 644.00 656.11 663.42 670.97 716.40 723.00 758.44 773.19 789.06 792.02 824.81 890.40 919.50 968.60 973.28 974.58 994.31 1007.01 1054.49 1057.70 1091.85 1104.92 1138.51 1149.39 1174.10 1179.93 1205.15 1236.18 1237.01 1274.26 1307.53 1312.03 1349.40 1360.92 1365.12 1372.44 1387.09 1408.62 1428.64 1431.05 1461.56 1529.59 1534.98 1569.68 1571.10 1586.24 1591.23 1594.49 1602.56 1606.18 1618.24 1623.44 1640.80 1665.37 1685.84 1690.56 1711.55 1734.09 1751.44 1771.89 1786.90 1806.76 1809.23 1817.16 1862.64 1874.60 1877.97 1884.65 1912.35 1925.63 1938.31 1971.45 1977.94 2013.76 2021.42 2044.82 2050.89 2078.49 2085.89 2119.93 2134.91 2141.78 2211.06 2227.72 2245.70 2257.46 2257.92 2267.61 2270.87 2286.68 2321.22 2343.19 2347.40 2348.48 2351.83 2352.44 2354.14 2364.01 2366.70 2384.91 2390.43 2398.51 2413.09 2456.53 2469.83 2483.31 2498.92 2564.84 2595.03 2600.61 2601.62 2694.12 2912.94 4620.83 4637.83 4638.45 4713.44 4715.17 4730.64 4739.30 4740.81 4757.40 4779.32 4780.47 4813.20 4821.85 4839.15 4839.28 4852.71 4869.46 4873.57 4884.55 4893.89 4907.56 4918.74 4948.98 4950.24 5318.58 5500.83 5549.63 0.528544 0.557182 0.558126 0.464280 -1760.740560 -1760.711921 -1760.710977 -1760.804823 3.147610D-04 MUNgauss RevisionA2.0 retrievium 14-Dec-2020 DUDE CC[NH+](CC)c1ccc(cc1)n2nc3cc(c(cc3n2)NC(=S)NC(=O)c4ccccc4)C C22565617 RHF 6-31G(d) (6D,10F) C1 459.196706 |X|Y|Z| 43.335673 33.552160 174.925675 63.358739 25 6 7 20 5 |36.858105| |12.539571|36.858105| |7.551071|12.575671|53.358707| |7.208975|9.357156|25.717845|0.500000| |4.939110|7.610580|17.110030|0.259898|36.858105| |3.793945|4.939048|10.274954|0.200211|12.539412|36.858105| |6.297609|7.616398|17.576518|0.264098|7.618284|6.300502|36.858105| |5.289241|5.407516|10.540269|0.217488|5.414321|5.302461|13.798088|36.858105| |4.111507|4.059357|6.943968|0.138793|4.066369|4.126550|7.965686|13.779304|36.858105| |3.732327|3.782675|6.133748|0.115001|3.789617|3.746178|6.921795|7.964493|13.732239|36.858105| |4.041330|4.348744|6.928950|0.120497|4.354100|4.050531|7.977590|6.869982|7.897752|13.697032|36.858105| |5.135818|6.140761|10.458701|0.161839|6.141982|5.138043|13.763288|7.921117|6.852666|7.949208|13.805877|36.858105| |2.992170|2.977513|4.606610|0.088515|2.984544|3.006837|4.586399|5.185621|7.893683|13.593139|7.892627|5.184410|53.358707| |2.672330|2.692888|4.038814|0.076525|2.701719|2.689994|3.832112|3.998305|5.255833|8.026489|6.844680|4.576573|19.726384|53.358707| |2.310187|2.297689|3.410667|0.066003|2.306786|2.329047|3.105713|3.319280|4.268478|5.576108|4.691795|3.506737|12.548902|19.751901|36.858105| |2.001510|1.995925|2.909841|0.056420|2.004834|2.019812|2.554760|2.667122|3.237319|3.978406|3.622557|2.870229|7.455304|10.399174|13.352081|36.858105| |1.805481|1.786937|2.598696|0.051063|1.795891|1.824279|2.239407|2.371320|2.841762|3.300498|2.963902|2.441058|5.911257|7.107154|7.997290|14.110304|36.858105| |1.813244|1.777464|2.605364|0.051883|1.786301|1.832331|2.245634|2.446158|2.972121|3.315604|2.855225|2.380259|5.948413|6.408333|6.910770|7.811882|13.015344|36.858105| |2.012541|1.960487|2.911524|0.058335|1.968503|2.030185|2.554856|2.868605|3.622158|3.982315|3.240513|2.668382|7.467393|7.303153|7.722324|6.624720|7.712456|14.166523|36.858105| |2.318720|2.271115|3.412366|0.067492|2.279572|2.337063|3.106169|3.505310|4.690909|5.581975|4.273295|3.321191|12.575889|11.757618|13.488798|7.709830|6.826850|8.066449|13.361344|36.858105| |2.692016|2.625376|4.040844|0.080286|2.632706|2.708161|3.830247|4.571635|6.839594|8.035147|5.258217|3.996873|19.783121|11.626048|8.622106|5.357037|4.669746|5.248267|7.646115|14.516313|53.358707| |1.617930|1.581779|2.303147|0.046227|1.589436|1.634587|1.944099|2.112261|2.494446|2.688286|2.360764|2.029745|4.532797|4.739555|4.555671|5.125718|7.674814|13.363348|8.002696|5.184929|5.334826|53.358707| |1.496674|1.475929|2.159132|0.043480|1.508596|1.567616|1.802814|1.952240|2.269614|2.412110|2.142543|1.870078|3.950252|4.089444|3.750538|4.154582|5.676134|7.733566|5.810071|4.180146|4.566228|19.090122|36.858105| |1.500841|1.501397|2.224035|0.044715|1.574887|1.660237|1.857845|2.005958|2.326037|2.477074|2.209482|1.930225|4.025204|4.165876|3.739560|4.053603|5.105190|6.172444|5.193047|4.086883|4.579214|9.768489|11.563107|388.023441| |1.376067|1.350693|1.960117|0.039647|1.370658|1.419529|1.615496|1.743654|1.992596|2.085671|1.873546|1.662643|3.322045|3.403839|3.004449|3.282970|4.227432|5.262139|4.330147|3.306653|3.784813|11.515597|13.831768|50.356278|53.358707| |1.255579|1.238508|1.793128|0.036291|1.264853|1.312649|1.461982|1.564801|1.760691|1.834545|1.672688|1.502415|2.861937|2.938414|2.523078|2.755715|3.394969|3.893546|3.330923|2.704314|3.187333|7.251223|7.619848|41.512401|18.485840|36.858105| |1.221499|1.213410|1.758857|0.035483|1.249984|1.300125|1.430929|1.520007|1.702396|1.785382|1.643759|1.478141|2.774322|2.879542|2.457109|2.718983|3.310983|3.617917|3.079606|2.573022|3.041088|6.312351|6.524727|42.552107|11.392111|16.083010|73.516695| |1.181052|1.159302|1.669709|0.033946|1.176046|1.217468|1.349779|1.445386|1.609826|1.656742|1.515439|1.376259|2.543348|2.580541|2.171472|2.324048|2.770053|3.151464|2.817307|2.337065|2.823766|5.576313|5.074952|29.219264|10.659951|12.728076|14.352336|36.858105| |1.091548|1.074001|1.539827|0.031269|1.089798|1.125666|1.235904|1.312715|1.447623|1.491434|1.380265|1.262153|2.264912|2.310989|1.918494|2.062892|2.411429|2.638749|2.369875|2.025254|2.473752|4.446871|3.870055|23.819718|7.113299|7.717334|11.960687|13.695964|36.858105| |1.033572|1.014139|1.448557|0.029499|1.024743|1.056515|1.155398|1.226457|1.342467|1.372990|1.274327|1.174121|2.063166|2.090892|1.714223|1.820501|2.088057|2.275761|2.089679|1.811715|2.245663|3.727471|3.107282|19.468474|5.406943|5.079004|8.062970|7.926326|13.781281|36.858105| |1.047384|1.022843|1.460508|0.029858|1.028981|1.060767|1.163626|1.241893|1.358413|1.377636|1.271948|1.175097|2.063044|2.069106|1.690298|1.769550|2.017261|2.235252|2.092468|1.809511|2.261640|3.646674|2.978433|18.482917|5.142984|4.461341|6.793156|6.866041|7.942314|13.732880|36.858105| |1.124902|1.095019|1.569020|0.032146|1.100104|1.136080|1.256342|1.351541|1.488599|1.503427|1.374241|1.264590|2.264567|2.253406|1.853392|1.923552|2.209920|2.517644|2.377915|2.019055|2.517099|4.187266|3.428151|20.672621|6.088366|5.015127|7.148813|7.919301|6.867819|7.929492|13.754114|36.858105| |1.201298|1.171904|1.687461|0.034486|1.182069|1.223626|1.362364|1.470211|1.636721|1.663956|1.510603|1.377169|2.541356|2.537980|2.121537|2.218485|2.607618|3.042303|2.821012|2.330227|2.853629|5.306434|4.556892|26.143766|8.953618|7.509282|9.462012|13.699416|7.923516|6.871117|7.944047|13.755256|36.858105| |1.597051|1.585181|2.279808|0.044838|1.593666|1.614702|1.922142|2.004705|2.326593|2.644946|2.459724|2.088054|4.441859|5.215552|5.030683|7.656713|12.631359|7.440315|4.992497|4.433294|4.640686|9.022712|5.487814|34.213777|5.936581|3.647324|6.514523|2.928478|2.602290|2.221636|2.098275|2.254444|2.658413|36.858105| |17.553902|8.789582|9.322950|0.213081|4.616092|3.741736|5.643666|5.265627|4.029302|3.486922|3.590351|4.380829|3.859768|3.400508|2.197084|1.905033|1.739478|1.769424|1.975490|2.249371|3.570529|2.165172|1.477432|10.531401|1.856291|1.245456|2.148004|1.176549|1.086155|1.031313|1.049156|1.129210|1.202803|1.539453|0.500000| |17.618107|8.769375|9.149803|0.173069|4.461286|3.582393|6.874104|5.959575|4.795512|4.400575|4.731844|5.830466|4.714242|4.155834|2.603785|2.222892|1.987810|1.995552|2.232221|2.611395|4.180038|2.398591|1.613541|11.436290|2.009031|1.337025|2.305795|1.253326|1.153694|1.089221|1.103766|1.189131|1.275054|1.739658|0.300114|0.500000| |17.586917|8.966971|7.536320|0.146555|4.128669|3.228024|4.740857|4.084857|3.383148|3.177306|3.459949|4.217643|3.598461|3.293556|2.118100|1.866270|1.691354|1.689203|1.852608|2.108438|3.261512|2.066497|1.405457|9.973966|1.769514|1.190811|2.060852|1.124276|1.043486|0.990871|1.003737|1.074257|1.142713|1.512186|0.302534|0.301922|0.500000| |8.835861|17.628151|12.413598|0.224405|7.350883|4.795647|5.621695|4.370850|3.390758|3.154239|3.541916|4.702513|3.494985|3.198622|2.041973|1.799642|1.627510|1.621300|1.775281|2.024554|3.141006|1.983861|1.369992|9.931745|1.716562|1.163557|2.030135|1.093555|1.016974|0.963330|0.971912|1.037513|1.105771|1.458268|0.210315|0.172655|0.215744|0.500000| |8.788920|17.652477|12.357862|0.182281|6.919698|4.545490|6.983397|4.811639|3.850891|3.817480|4.669866|6.776032|4.119034|3.822791|2.366624|2.067528|1.831447|1.796431|1.963033|2.287766|3.553886|2.165827|1.481504|10.722651|1.840802|1.240801|2.168211|1.157484|1.074412|1.012329|1.017166|1.086082|1.164251|1.629368|0.172328|0.210505|0.211657|0.302022|0.500000| |4.796038|7.350793|12.412184|0.224428|17.627935|8.835226|5.622521|4.374272|3.394488|3.157829|3.544427|4.702881|3.500436|3.205668|2.047615|1.805406|1.633487|1.627236|1.780563|2.029868|3.147045|1.991083|1.392956|10.297965|1.736066|1.182776|2.077671|1.105952|1.028804|0.971361|0.976577|1.041349|1.113325|1.464101|0.127407|0.114496|0.115828|0.238734|0.178878|0.500000| |4.545759|6.920708|12.356316|0.182281|17.652437|8.788841|6.984983|4.816509|3.856957|3.824719|4.676599|6.777762|4.129248|3.836694|2.376766|2.077641|1.841295|1.805747|1.971242|2.296578|3.563870|2.176661|1.515339|11.265701|1.868720|1.267927|2.235873|1.174537|1.090598|1.023119|1.023336|1.091150|1.174443|1.638785|0.112683|0.117878|0.109341|0.178918|0.206531|0.301985|0.500000| |3.581720|4.460624|9.144750|0.172975|8.768160|17.618717|6.875512|5.977184|4.819668|4.424149|4.747145|5.833078|4.746974|4.194222|2.632758|2.249870|2.014814|2.022899|2.258001|2.639406|4.214600|2.430067|1.710782|12.995914|2.088318|1.412202|2.489492|1.300523|1.197376|1.118234|1.120616|1.203303|1.303857|1.764245|0.097057|0.097995|0.084445|0.114478|0.117865|0.172639|0.210516|0.500000| |3.741819|4.615881|9.321403|0.213052|8.789145|17.553961|5.646776|5.279758|4.044078|3.498621|3.597207|4.382780|3.877027|3.420196|2.213247|1.920693|1.756124|1.787001|1.992092|2.266087|3.591022|2.186514|1.544337|11.593575|1.912875|1.300095|2.280425|1.211929|1.119177|1.053732|1.062423|1.140385|1.224881|1.555079|0.107389|0.097084|0.088088|0.127380|0.112675|0.210278|0.172324|0.300106|0.500000| |3.228198|4.128886|7.535207|0.146552|8.967981|17.587022|4.742226|4.092791|3.394063|3.188362|3.467213|4.218799|3.616467|3.317035|2.137318|1.885940|1.711892|1.709720|1.870866|2.126681|3.281920|2.091428|1.484786|11.242801|1.836604|1.256641|2.223440|1.166561|1.083637|1.018015|1.019487|1.087249|1.168461|1.532130|0.088095|0.084458|0.078956|0.115835|0.109337|0.215777|0.211642|0.301963|0.302545|0.500000| |5.168542|5.092791|9.692319|0.238590|5.098915|5.181499|8.883150|17.700974|8.966804|5.664763|4.949195|5.628358|5.717554|4.541453|2.891975|2.378726|2.162850|2.262057|2.646108|3.117578|5.397231|2.708932|1.855053|13.525565|2.278497|1.509319|2.598825|1.405577|1.277784|1.200023|1.221037|1.330313|1.439145|1.849625|0.156461|0.152263|0.111206|0.120231|0.119780|0.120333|0.119885|0.152652|0.156959|0.111429|0.500000| |3.560500|3.422609|5.642840|0.117743|3.429263|3.575825|5.659657|8.916369|17.788788|8.925033|5.635149|4.947012|9.837509|6.568373|4.231626|3.219340|2.912070|3.163898|3.996115|5.050406|10.520204|3.635656|2.427038|17.579697|2.898565|1.866322|3.180056|1.709848|1.524919|1.414185|1.439476|1.590717|1.754245|2.366813|0.100215|0.113024|0.083398|0.082046|0.089419|0.082154|0.089575|0.113675|0.100671|0.083733|0.216015|0.500000| |3.479036|3.735290|5.624740|0.098919|3.740065|3.487241|5.663699|4.956088|5.638810|8.922186|17.789159|8.929752|9.856217|10.561806|5.063071|4.003687|3.161194|2.931066|3.227133|4.243937|6.582354|3.272690|2.175035|15.951289|2.579001|1.694442|2.977674|1.526359|1.394945|1.283319|1.273359|1.369753|1.508786|2.636005|0.085668|0.111085|0.086029|0.087009|0.114864|0.087076|0.115047|0.111452|0.085834|0.086233|0.107556|0.124235|0.500000| |4.914104|6.323017|9.553941|0.144216|6.317162|4.909304|8.853019|5.626244|4.942786|5.663459|8.992887|17.732854|5.724143|5.412146|3.123676|2.651605|2.261324|2.173009|2.382214|2.896973|4.545080|2.548898|1.735228|12.742877|2.113280|1.414096|2.485315|1.298189|1.198414|1.116892|1.114505|1.192548|1.293839|1.971861|0.113191|0.147239|0.117471|0.137390|0.221301|0.137312|0.220977|0.147056|0.113125|0.117344|0.123508|0.107447|0.216739|0.500000| |1.955115|1.966653|2.838760|0.054559|1.975276|1.972377|2.466826|2.509005|2.963636|3.662440|3.527293|2.823471|6.430277|9.166520|8.761346|17.750353|8.984059|5.554940|4.824318|5.539014|5.914903|5.637160|3.526358|24.892473|3.937282|2.505596|4.465200|2.135003|1.929850|1.711953|1.653858|1.775221|2.023454|7.015187|0.051256|0.060039|0.051018|0.049380|0.057257|0.049536|0.057539|0.060737|0.051656|0.051545|0.062034|0.080042|0.112334|0.074062|0.500000| |1.967370|1.903369|2.833399|0.057517|1.911108|1.984742|2.458824|2.810784|3.511138|3.651146|2.956845|2.502305|6.410345|5.904111|5.531289|4.825554|5.523074|9.013963|17.766482|8.712761|9.106654|9.945979|5.732287|35.765847|6.091747|3.413885|5.475610|2.948083|2.440953|2.167497|2.205843|2.555073|3.043583|4.075954|0.054315|0.060261|0.050255|0.048138|0.052359|0.048282|0.052572|0.060953|0.054787|0.050753|0.073619|0.111549|0.079996|0.061946|0.105393|0.500000| |1.568783|1.523351|2.195205|0.044076|1.510027|1.540093|1.840197|1.988367|2.322666|2.493528|2.215022|1.920029|4.132747|4.332618|4.053661|4.602801|6.597668|9.203832|6.325356|4.472503|4.767885|25.986773|9.436041|38.407995|10.959689|5.206254|7.841963|4.201780|3.372340|2.847395|2.795717|3.207844|4.032263|6.320967|0.042828|0.047483|0.041144|0.039055|0.042607|0.038797|0.042220|0.046380|0.042088|0.040250|0.052220|0.068738|0.062802|0.049481|0.107006|0.165388|0.500000| |1.384106|1.348248|1.946835|0.039470|1.352508|1.393460|1.602546|1.735176|1.981433|2.061176|1.846227|1.642664|3.271821|3.324169|2.918119|3.145466|3.996880|5.042994|4.271210|3.248415|3.749122|10.955157|9.401625|38.384845|26.033185|9.340059|10.943749|7.586242|5.061836|4.035155|4.002824|4.935287|7.349027|4.052257|0.038178|0.041326|0.036393|0.034951|0.037424|0.035036|0.037545|0.041671|0.038431|0.036686|0.046424|0.059080|0.051666|0.042558|0.076942|0.125590|0.246951|0.500000| |1.072985|1.060069|1.519286|0.030756|1.079559|1.114796|1.218866|1.287432|1.417570|1.469910|1.369006|1.250976|2.232451|2.298608|1.907012|2.075028|2.423368|2.589604|2.297836|1.984179|2.415923|4.301482|3.760733|23.879974|6.595597|7.239523|13.308237|8.942926|17.750121|8.900600|5.642100|4.952078|5.650219|2.674581|0.029570|0.031476|0.028517|0.027895|0.029550|0.028300|0.030110|0.032964|0.030683|0.029892|0.034694|0.041227|0.038631|0.033108|0.054420|0.064693|0.089865|0.124897|0.500000| |0.979751|0.962976|1.371881|0.027913|0.973395|1.002186|1.089776|1.151195|1.253275|1.282988|1.198618|1.108641|1.916946|1.948505|1.586082|1.687047|1.915020|2.052121|1.888237|1.660260|2.068505|3.292159|2.707130|17.357233|4.527567|4.141085|6.963918|5.641989|8.934790|17.728004|8.907136|5.642587|4.951852|2.051001|0.027133|0.028611|0.026156|0.025467|0.026736|0.025688|0.027031|0.029394|0.027740|0.026899|0.031295|0.036497|0.033594|0.029407|0.044467|0.053969|0.069722|0.092877|0.214495|0.500000| |1.000802|0.976226|1.389918|0.028457|0.979787|1.008572|1.102006|1.173988|1.276401|1.289594|1.194985|1.109994|1.916543|1.917233|1.552593|1.616377|1.820134|1.999679|1.891602|1.657023|2.090527|3.193958|2.558544|16.151665|4.256287|3.564160|5.608327|4.948673|5.649634|8.912128|17.721048|8.922157|5.649929|1.885311|0.027890|0.029222|0.026704|0.025833|0.026939|0.025909|0.027038|0.029491|0.028105|0.026959|0.032163|0.037507|0.033182|0.029305|0.042183|0.055337|0.067981|0.091951|0.124054|0.214856|0.500000| |1.130147|1.095798|1.568722|0.032255|1.096620|1.131988|1.253096|1.353152|1.486272|1.488775|1.357240|1.254004|2.229111|2.198196|1.795358|1.839331|2.089248|2.391738|2.306906|1.970959|2.485442|3.899167|3.106508|18.942430|5.273968|4.081017|5.973255|5.638869|4.950124|5.640976|8.910970|17.725673|8.924856|2.096804|0.031629|0.033158|0.029985|0.028869|0.030090|0.028886|0.030112|0.033220|0.031683|0.030043|0.037184|0.044303|0.037388|0.032796|0.047093|0.069669|0.082852|0.120252|0.107525|0.124069|0.214978|0.500000| |1.279102|1.244259|1.798593|0.036839|1.253959|1.300566|1.459562|1.588628|1.782044|1.802647|1.618444|1.469925|2.769483|2.737421|2.301894|2.373911|2.800287|3.386466|3.200957|2.585761|3.161756|5.990423|5.099565|28.441677|9.816052|6.873151|8.705342|8.868935|5.630264|4.951613|5.658034|8.954045|17.715221|2.770393|0.035653|0.037823|0.033671|0.032522|0.034242|0.032720|0.034510|0.038598|0.036247|0.034350|0.043244|0.053565|0.044668|0.038131|0.059318|0.098759|0.124603|0.237416|0.124073|0.107516|0.124448|0.216456|0.500000| |1.542187|1.516781|2.163092|0.042715|1.504100|1.515890|1.810735|1.892865|2.181309|2.442321|2.269999|1.950059|4.035602|4.608820|4.309062|5.937372|8.830060|6.645068|4.595317|3.976984|4.262400|9.130620|5.325820|30.390421|6.193830|3.769724|6.538488|3.084972|2.743349|2.346473|2.218120|2.382426|2.805184|17.541695|0.041404|0.046668|0.040767|0.038846|0.043191|0.038601|0.042803|0.045658|0.040759|0.039929|0.048867|0.061991|0.066961|0.051237|0.152464|0.108195|0.202986|0.122189|0.077837|0.060019|0.055261|0.061393|0.080686|0.500000| |1.507099|1.503952|2.174844|0.042944|1.533335|1.568343|1.820743|1.903242|2.193067|2.455365|2.282120|1.960694|4.054945|4.631198|4.328719|5.957110|8.870636|6.677447|4.608533|3.993742|4.281341|9.125339|6.376907|41.615612|6.723469|4.223133|7.853755|3.238097|2.871268|2.397305|2.228715|2.383909|2.851181|17.581012|0.040552|0.045265|0.039607|0.038643|0.042780|0.039211|0.043679|0.047613|0.042066|0.041550|0.049128|0.062309|0.067293|0.051507|0.152821|0.108528|0.168651|0.120607|0.083289|0.061323|0.055142|0.060800|0.081720|0.301714|0.500000| 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