Version2.2 2021-02-09T00:10:03Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 26-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)c1c(c(sc1NC(=O)C[NH2+][C@H]2CCCc3c2cccc3)C(=O)N)C C03477722 RHF 6-31G(d) (6D,7F) CCOC(=O)c1c(c(sc1NC(=O)C[NH2+][C@H]2CCCc3c2cccc3)C(=O)N)C C01[X(C21H26N3O4S1)] 159 C1 491 CCOC(=O)c1c(NC(=O)C[NH2+][C@H]2CCCc3c2cccc3)sc(c1C)C(=O)N CCOC(=O)c1c(NC(=O)C[NH2+][C@H]2CCCc3c2cccc3)sc(c1C)C(=O)N CCOC(=O)c1c(C)c(sc1NC(=O)C[NH2+][C@H]2CCCc3ccccc23)C(N)=O InChIKey=UPSNFRPKQDUYOE-HNNXBMFYSA-O InChI=1S/C21H25N3O4S/c1-3-28-21(27)17-12(2)18(19(22)26)29-20(17)24-16(25)11-23-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15,23H,3,6,8,10-11H2,1-2H3,(H2,22,26)(H,24,25)/p+1/t15-/m0/s1 InChI=1/C21H25N3O4S/c1-3-28-21(27)17-12(2)18(19(22)26)29-20(17)24-16(25)11-23-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15,23H,3,6,8,10-11H2,1-2H3,(H2,22,26)(H,24,25)/p+1/t15-/m0/s1/fC21H26N3O4S/h23-24H,22H2/q+1 CCOC(=O)c1c(c(sc1NC(=O)C[NH2+][C@H]2CCCc3c2cccc3)C(=O)N)C C01[X(C21H26N3O4S1)] 159 C01 491 CCOC(=O)c1c(NC(=O)C[NH2+][C@H]2CCCc3c2cccc3)sc(c1C)C(=O)N CCOC(=O)[C]1[C](SC(=[C]1C)C(=O)N)NC(=O)C[NH2][C@H]1CCC[C]2[C]1[CH][CH][CH][CH]2 CCOC(=O)[C]1[C](NC(=O)C[NH2][C@H]2CCC[C]3[CH][CH][CH][CH][C]23)SC(=C1C)C(N)=O InChIKey=KJZHMPUTIQGLLS-HNNXBMFYSA-N InChI=1S/C21H26N3O4S/c1-3-28-21(27)17-12(2)18(19(22)26)29-20(17)24-16(25)11-23-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15H,3,6,8,10-11,23H2,1-2H3,(H2,22,26)(H,24,25)/t15-/m0/s1 InChI=1/C21H26N3O4S/c1-3-28-21(27)17-12(2)18(19(22)26)29-20(17)24-16(25)11-23-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15H,3,6,8,10-11,23H2,1-2H3,(H2,22,26)(H,24,25)/t15-/m0/s1/f/h24H,22H2 2834.4420974379 -1670.5488352 1-A 20689.4322 110 381 491 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.07985 -20.70246 -20.69693 -20.65103 -20.60288 -15.84677 -15.74615 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0.8302 0.8429 0.6782 0.6493 0.4356 0.2486 0.2893 0.2698 0.5246 0.0573 0.1171 0.8352 0.7551 0.3454 0.2948 0.0295 0.7141 0.7669 0.7943 0.8571 0.4861 0.8571 0.8223 0.6562 0.7741 0.7994 0.2430 0.1307 0.2772 0.7256 0.2794 0.8065 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 6 6 8 6 8 6 6 6 16 6 7 6 8 6 7 1 1 6 1 6 6 6 6 6 6 6 6 6 6 8 7 6 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 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 1.00783 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 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 6887.8092 30691.6124 37170.5135 0.99998 0.00596 0.00146 -0.00596 0.99997 -0.00516 -0.00149 0.00515 0.99999 1 0.01257 0.00282 0.00233 0.26202 0.05880 0.04855 17.37 23.62 37.46 46.83 73.37 91.28 103.84 111.93 118.20 131.84 141.15 159.30 173.61 195.45 209.69 257.11 269.50 288.01 327.68 341.00 384.01 386.96 423.37 426.72 437.07 473.77 494.53 499.42 511.63 568.35 585.10 624.31 635.58 656.46 669.29 685.20 703.72 723.94 759.14 808.02 836.48 846.75 891.81 916.74 925.50 944.61 961.02 1007.50 1023.60 1104.47 1150.17 1172.41 1193.11 1204.07 1208.65 1232.24 1235.48 1262.01 1263.49 1288.36 1315.25 1338.33 1387.19 1404.11 1417.82 1433.89 1437.99 1510.86 1551.58 1566.56 1571.02 1590.39 1602.06 1632.97 1639.27 1644.21 1651.20 1681.47 1686.75 1690.18 1735.91 1740.86 1754.70 1762.40 1783.04 1787.92 1837.99 1864.70 1872.99 1882.21 1911.83 1925.83 1946.65 1983.09 1994.41 2039.08 2050.91 2059.76 2089.30 2111.66 2118.55 2140.26 2164.76 2176.01 2193.74 2197.58 2209.19 2234.23 2246.67 2264.57 2279.29 2298.73 2320.22 2335.67 2342.23 2343.67 2344.29 2348.55 2359.46 2360.23 2361.78 2373.00 2399.97 2402.44 2502.37 2556.17 2566.05 2597.83 2602.87 2639.55 2744.09 2806.20 2843.41 4586.45 4602.16 4635.24 4636.91 4668.22 4676.61 4698.24 4702.97 4708.79 4716.55 4717.17 4739.78 4740.77 4751.06 4787.81 4793.93 4814.69 4850.61 4864.44 4875.28 4896.52 5219.75 5303.97 5331.39 5486.40 5658.74 0.491283 0.517966 0.518910 0.430329 -1670.057552 -1670.030869 -1670.029925 -1670.118506 2.971021D-04 MUNgauss RevisionA2.1 retrievium 09-Feb-2021 DUDE CCOC(=O)c1c(c(sc1NC(=O)C[NH2+][C@H]2CCCc3c2cccc3)C(=O)N)C C03477722 RHF 6-31G(d) (6D,10F) C1 416.164403 |X|Y|Z| 61.703139 16.357169 128.897006 50.670214 19 6 7 16 16 2 1 |36.858105| |12.595601|36.858105| |8.015116|13.251020|73.516695| |5.286472|8.092713|26.027717|36.858105| |4.621628|7.190716|15.382407|15.778504|73.516695| |4.051377|5.163751|14.432064|12.844658|14.328342|36.858105| |3.836158|4.379618|11.623720|7.229588|9.107137|13.098764|36.858105| |3.015820|3.361336|8.005566|5.084048|7.246894|8.224882|14.093315|36.858105| |2.635443|3.041664|6.899987|4.775490|7.488558|7.399089|7.345651|10.912155|388.023441| |3.187550|3.950215|9.408333|7.706541|11.979608|13.938688|8.134506|7.745376|79.034714|36.858105| |2.937752|3.712442|8.087174|6.579546|12.870719|7.817838|5.180649|4.968004|49.498328|13.670721|53.358707| |2.440999|2.965436|6.133878|4.507566|8.804539|5.168122|3.988863|4.109287|43.011374|7.811650|19.426485|36.858105| |2.192557|2.581723|5.339702|3.746035|6.920437|4.481277|3.762687|4.147681|46.813255|6.593778|11.439649|15.866266|73.516695| |2.274659|2.760617|5.402157|3.821868|7.959816|3.941952|3.130759|3.122362|28.979870|5.063131|10.744220|12.452846|14.382781|36.858105| |1.943125|2.284743|4.420979|2.992144|5.948722|3.146281|2.650891|2.725778|25.152609|3.926561|7.142273|7.852192|13.057522|12.830846|53.358707| |1.908560|2.233002|4.309042|2.892198|5.709351|3.037605|2.584220|2.659448|24.256896|3.740303|6.597174|6.772554|11.564750|9.246182|25.671891|0.500000| |1.888988|2.199266|4.318512|2.911888|5.618983|3.170202|2.722852|2.876891|27.465158|4.046587|7.064320|8.132306|16.610192|9.458416|25.578834|0.331525|0.500000| |1.756589|2.037825|3.844394|2.528182|5.030350|2.586125|2.226991|2.268000|19.920683|3.066128|5.256939|5.017900|8.512420|7.425077|17.026301|0.255090|0.251033|36.858105| |1.768921|2.051714|3.871188|2.543538|5.053923|2.600084|2.239677|2.277768|19.935680|3.072983|5.237208|4.921511|8.326511|7.020669|12.494912|0.181781|0.219508|17.579595|0.500000| |1.778780|2.071082|3.815373|2.484546|5.053287|2.450704|2.097623|2.087858|17.712493|2.809064|4.792791|4.219372|6.773145|6.260698|10.467774|0.197921|0.157037|12.445662|0.244624|36.858105| |1.574428|1.798848|3.274671|2.081337|4.154285|2.050175|1.796927|1.793297|14.865094|2.296363|3.743447|3.177239|5.305888|4.194470|6.804957|0.134312|0.115775|7.568312|0.177287|12.483202|36.858105| |1.452476|1.640883|3.009491|1.899849|3.719115|1.903185|1.695329|1.713786|14.227784|2.136960|3.409216|2.912980|5.052805|3.634067|6.235897|0.131009|0.111274|6.396679|0.143476|7.644691|12.490350|36.858105| |1.443334|1.627940|3.032538|1.925747|3.721988|1.972860|1.768765|1.817795|15.387962|2.255499|3.585110|3.163888|5.713794|3.852500|7.189488|0.149117|0.135434|7.509252|0.163792|6.583964|7.566925|12.566784|36.858105| |1.560484|1.776374|3.353095|2.162760|4.188113|2.245937|1.992910|2.063579|17.961966|2.632198|4.276212|3.963883|7.284236|4.958122|10.522757|0.198953|0.202608|12.535730|0.246384|7.411126|6.642549|7.492696|13.681315|36.858105| |1.510541|1.705637|3.259174|2.095573|3.973775|2.228700|2.012225|2.127048|18.765573|2.636545|4.163724|3.887987|7.675508|4.407379|8.802986|0.164868|0.206052|7.572979|0.188814|4.938142|4.497052|4.990287|7.895181|13.631701|36.858105| |1.370789|1.527917|2.907440|1.840610|3.446674|1.958527|1.804011|1.916225|16.528711|2.273003|3.473509|3.107544|6.147656|3.370902|6.120393|0.122338|0.138790|5.021099|0.128680|3.821663|3.745336|4.415860|6.805167|7.885753|13.831076|36.858105| |1.290469|1.431711|2.694020|1.689952|3.176355|1.772160|1.635188|1.717586|14.487537|2.020658|3.077092|2.680394|5.127584|2.958278|5.213901|0.107987|0.110765|4.433265|0.110957|3.696560|3.888692|5.017681|7.876438|6.857909|7.980197|13.713254|36.858105| |1.319356|1.470563|2.742171|1.721804|3.276982|1.778013|1.622496|1.681439|14.088571|2.015439|3.116022|2.699935|4.998065|3.102631|5.499001|0.115573|0.110059|5.009078|0.120002|4.445113|5.037934|7.570641|13.665061|7.955393|6.924536|7.949260|13.815725|36.858105| |2.610264|2.773379|6.220656|3.698906|5.517468|5.046654|7.444449|12.741967|48.479630|4.866991|4.932608|3.220559|5.982253|2.566167|3.171946|0.063621|0.068779|1.985712|0.055364|1.828045|1.601113|1.549411|1.649463|1.850919|1.930897|1.775530|1.598134|1.550120|36.858105| |2.629189|2.706388|5.968693|3.389359|5.053425|4.336542|6.310378|8.061378|35.161458|3.983588|4.214748|2.757678|5.038981|2.269388|2.824018|0.057154|0.060483|1.792221|0.049747|1.673420|1.479329|1.435390|1.515585|1.679252|1.738957|1.613577|1.469206|1.430912|15.935674|73.516695| |2.240240|2.383757|5.163668|3.113919|4.840752|4.075961|5.201012|7.899246|44.942320|4.246275|4.550687|3.124189|6.044040|2.500083|3.164477|0.063051|0.069921|1.993606|0.055894|1.805697|1.591493|1.551011|1.671861|1.884885|2.003537|1.855915|1.654307|1.584241|13.981751|15.098282|53.358707| |4.492718|4.649489|12.002332|5.931701|7.667287|7.268093|12.630225|7.528174|33.383775|5.043277|5.150989|3.066326|5.160044|2.559410|3.010137|0.060224|0.062451|1.913257|0.053505|1.833061|1.599223|1.510981|1.560378|1.729588|1.737996|1.578932|1.448983|1.442197|6.098570|11.108415|5.921675|36.858105| |17.583267|8.850435|12.843451|4.915000|7.471063|3.975671|3.918614|3.082442|18.770197|3.124521|3.856369|2.367488|3.820804|2.185309|2.569278|0.051984|0.051160|1.697077|0.047117|1.713912|1.519767|1.415206|1.410156|1.520388|1.476877|1.346914|1.269797|1.295160|2.703700|4.946783|3.113983|4.771086|0.500000| |17.567321|8.925818|10.196188|4.280811|7.119367|3.360909|3.160310|2.581453|16.472415|2.764624|3.568986|2.226143|3.561695|2.120535|2.487316|0.049931|0.049075|1.674117|0.046816|1.713463|1.530307|1.408747|1.389062|1.490290|1.434986|1.306365|1.237532|1.270742|2.272932|4.069663|2.705882|3.578950|0.300971|0.500000| |17.582381|8.849741|12.837591|4.911943|7.468961|3.970906|3.907565|3.074425|18.731500|3.120683|3.851296|2.365238|3.816863|2.185819|2.553107|0.050812|0.051090|1.701482|0.047967|1.705402|1.515298|1.399814|1.399302|1.517479|1.479902|1.345520|1.262057|1.283594|2.693218|4.829691|3.150653|4.762934|0.300643|0.300990|0.500000| |8.802550|17.636432|16.501582|7.254089|12.939514|4.749146|3.948826|3.128155|20.757652|3.804821|5.043795|2.988899|4.587035|2.840878|3.169733|0.062404|0.062001|2.102330|0.059469|2.144401|1.862995|1.679445|1.660269|1.815697|1.736129|1.547897|1.449241|1.492609|2.591555|4.430270|3.098721|4.042069|0.172881|0.211532|0.211112|0.500000| |8.803647|17.636955|16.503218|7.259831|12.944830|4.755391|3.958880|3.135729|20.804980|3.810581|5.053834|2.992823|4.592995|2.839335|3.200307|0.064597|0.062117|2.093872|0.057873|2.161171|1.871191|1.706015|1.678290|1.820505|1.731100|1.549872|1.460832|1.510702|2.600284|4.518824|3.063367|4.045824|0.211103|0.211605|0.172884|0.301852|0.500000| |3.237886|4.282731|9.089237|7.801912|18.595697|7.474897|4.804468|4.308049|37.633553|9.499012|25.778452|9.327227|10.747058|7.487642|6.569106|0.124833|0.125574|3.737963|0.103620|3.591597|2.796988|2.494593|2.554096|2.988015|2.830310|2.375023|2.142244|2.204098|3.228526|5.053515|4.003040|3.705276|0.085270|0.080539|0.085148|0.120800|0.121115|0.500000| |2.263982|2.745646|5.299547|3.703352|7.776421|3.731419|2.984785|2.946266|26.506458|4.611648|9.186126|8.872908|11.520449|17.607020|12.370325|0.181652|0.208930|7.221030|0.223779|6.140659|4.240345|3.519440|3.684219|4.713058|4.202795|3.224886|2.833120|2.972129|2.440813|3.843020|3.256774|2.477631|0.059591|0.058936|0.060997|0.080411|0.077272|0.188260|0.500000| |2.386729|2.936490|5.628007|3.980126|8.665291|3.895757|3.057637|2.965682|26.275769|4.747227|9.807364|8.707371|10.699621|17.652290|12.273168|0.230396|0.184118|6.322309|0.158071|6.446912|4.260998|3.633299|3.648052|4.396695|3.781449|3.009300|2.738834|2.939397|2.440110|3.900898|3.176024|2.542418|0.063723|0.062179|0.062687|0.083598|0.086082|0.217259|0.300962|0.500000| |1.908356|2.248250|4.100885|2.683841|5.587583|2.587379|2.181675|2.138039|17.949335|2.933342|5.081702|4.320716|6.637426|6.614872|9.083082|0.163933|0.140324|8.829169|0.223365|17.566045|8.798301|5.530487|4.855623|5.484838|4.095741|3.245722|3.100558|3.583119|1.854157|3.018191|2.473193|1.910861|0.050580|0.051194|0.050737|0.065534|0.065193|0.109505|0.197384|0.198221|0.500000| |1.816003|2.118241|3.903123|2.544392|5.181299|2.504749|2.139768|2.124849|17.993513|2.865947|4.888828|4.256503|6.789714|6.143136|10.156418|0.226071|0.150755|8.846421|0.175192|17.493547|8.921221|7.100323|6.018605|6.382873|4.494647|3.603647|3.542187|4.254936|1.857065|3.035843|2.477097|1.868789|0.048964|0.048558|0.047965|0.060192|0.062188|0.102132|0.151920|0.192677|0.302539|0.500000| |1.528501|1.738698|3.163693|2.001976|3.973732|1.976157|1.741367|1.740942|14.379327|2.206468|3.563104|3.010166|5.072731|3.892242|6.160758|0.116210|0.109150|6.932409|0.186908|8.837115|17.535775|8.833365|6.732216|6.236094|4.457044|3.729745|3.821024|4.785899|1.560752|2.559491|2.124096|1.554576|0.040809|0.041306|0.041140|0.050372|0.049767|0.073708|0.114426|0.106113|0.209516|0.174060|0.500000| |1.569322|1.789529|3.214190|2.024598|4.061114|1.963626|1.722165|1.701729|13.874178|2.162722|3.494063|2.875523|4.741168|3.717092|5.640251|0.113933|0.097098|5.518408|0.135819|8.881342|17.584006|8.825353|5.513371|4.860824|3.593392|3.109733|3.261062|4.113811|1.521453|2.516854|2.043805|1.548085|0.042034|0.042675|0.041763|0.051553|0.052062|0.073769|0.104403|0.109137|0.215780|0.213542|0.303239|0.500000| |1.350652|1.512316|2.758149|1.722423|3.347806|1.721691|1.549062|1.565260|12.824108|1.910705|2.995578|2.511979|4.385850|3.036756|4.993517|0.103579|0.092198|4.854231|0.117814|5.541297|8.843197|17.581877|8.932724|5.693747|4.248981|4.008921|4.769086|7.188345|1.427975|2.363358|1.950478|1.393700|0.036559|0.036544|0.036252|0.043043|0.043556|0.061017|0.083132|0.084211|0.123512|0.143003|0.215786|0.209598|0.500000| |1.466155|1.655791|3.031269|1.910252|3.739520|1.908228|1.700233|1.714408|14.170436|2.133819|3.393881|2.870371|4.954177|3.537032|5.970595|0.132998|0.105689|5.498515|0.121686|6.823288|8.864017|17.507807|8.885239|6.111120|4.368616|3.956226|4.494855|6.427061|1.549933|2.564228|2.098912|1.518100|0.039876|0.039530|0.039033|0.046743|0.048204|0.069231|0.092311|0.101366|0.141195|0.208523|0.173736|0.216971|0.304387|0.500000| |1.584166|1.794422|3.468931|2.248692|4.236109|2.431460|2.193157|2.344704|21.190771|2.930897|4.628678|4.445833|9.210978|4.817556|9.336661|0.162899|0.251334|7.013442|0.193624|4.512765|3.921987|4.059150|5.613009|8.831549|17.663619|9.012725|5.676324|4.975637|2.116869|3.347122|3.019241|1.871055|0.042946|0.041550|0.043323|0.050803|0.050195|0.085451|0.129026|0.109498|0.109523|0.113968|0.109557|0.089473|0.097623|0.101179|0.500000| |1.331883|1.475321|2.821452|1.777521|3.289475|1.911382|1.784157|1.916135|16.497786|2.214262|3.314064|2.930238|5.922551|3.051788|5.291411|0.105279|0.123280|4.100853|0.109194|3.206033|3.111526|3.535979|4.918446|5.623006|8.943064|17.737872|8.882767|5.648824|1.797221|2.898488|2.590326|1.563497|0.036430|0.035180|0.036480|0.041422|0.041345|0.062429|0.081519|0.075471|0.078129|0.084731|0.086876|0.073762|0.091236|0.090072|0.217914|0.500000| |1.207900|1.329871|2.497539|1.553447|2.898546|1.629862|1.519934|1.599468|13.318098|1.840017|2.757454|2.357668|4.512780|2.546834|4.315828|0.089837|0.091871|3.546544|0.090868|3.074729|3.257604|4.100847|5.622950|4.945286|5.664846|8.900744|17.731254|8.945548|1.504536|2.472516|2.126731|1.357271|0.033101|0.032230|0.032868|0.037306|0.037643|0.053426|0.068009|0.066165|0.073524|0.082882|0.089481|0.078481|0.113127|0.105359|0.124727|0.213927|0.500000| |1.250236|1.385752|2.565399|1.597171|3.035852|1.637094|1.501208|1.547741|12.771868|1.831979|2.805826|2.379736|4.355251|2.712318|4.604029|0.097672|0.091085|4.081955|0.099870|3.898190|4.621395|7.078009|8.928646|5.657688|4.978755|5.654561|8.958611|17.715527|1.434530|2.371218|1.988264|1.346796|0.034137|0.033598|0.033743|0.039033|0.039642|0.055642|0.072504|0.072875|0.089438|0.105712|0.121498|0.110411|0.215718|0.176735|0.107916|0.124245|0.216314|0.500000| |2.201824|2.370845|5.116679|3.141246|4.946156|4.114889|4.975145|7.309828|48.329340|4.452302|4.819533|3.355959|6.593137|2.658875|3.359837|0.066000|0.075083|2.115503|0.059923|1.892747|1.663332|1.614625|1.751215|1.993950|2.136812|1.966187|1.734963|1.654811|9.272001|10.935091|26.054911|4.045879|0.061555|0.054478|0.063408|0.063851|0.061957|0.085440|0.071413|0.067794|0.052986|0.052519|0.045555|0.043358|0.041386|0.044284|0.066575|0.056192|0.045350|0.042163|0.500000| |2.071892|2.166539|4.595662|2.713435|4.264336|3.401814|4.245837|5.759511|33.879015|3.478925|3.873670|2.694596|5.191639|2.217389|2.844664|0.056917|0.062601|1.819864|0.050989|1.656999|1.476561|1.446387|1.556767|1.738827|1.851283|1.736137|1.557325|1.487441|9.519540|13.928296|25.992067|3.818760|0.059021|0.051488|0.059653|0.057522|0.056947|0.070831|0.059229|0.057858|0.046195|0.046371|0.040298|0.038804|0.037337|0.039964|0.056506|0.049696|0.041151|0.038283|0.313458|0.500000| |5.135134|5.176434|13.232606|6.019973|7.819687|6.555658|8.898258|5.877791|29.246910|4.600595|4.906942|2.926312|4.866494|2.493598|2.912722|0.057708|0.060121|1.875748|0.052949|1.805839|1.581097|1.481957|1.523039|1.686297|1.687730|1.530485|1.406837|1.404408|4.893268|8.671362|5.166657|17.604877|0.143689|0.111005|0.162726|0.127713|0.117871|0.100482|0.068355|0.068800|0.052759|0.050728|0.042941|0.042636|0.038081|0.041166|0.050455|0.042027|0.036591|0.036478|0.101800|0.094093|0.500000| |3.731574|3.719022|8.709267|4.472895|6.204724|5.454649|8.913995|7.189648|31.030473|4.258043|4.460778|2.761413|4.773716|2.317163|2.785542|0.055874|0.058308|1.783162|0.049864|1.698645|1.495850|1.425187|1.479125|1.633899|1.656766|1.519374|1.394404|1.379006|7.116491|14.720941|6.609184|17.707104|0.110993|0.085747|0.111004|0.092197|0.092168|0.087596|0.062335|0.063410|0.048797|0.048024|0.040496|0.040154|0.036671|0.039746|0.049547|0.042083|0.036474|0.035830|0.120282|0.121534|0.299897|0.500000| |5.073346|5.097654|12.917299|5.914020|7.719456|6.470776|8.900872|5.914310|29.267245|4.570387|4.877700|2.913366|4.852946|2.478984|2.923709|0.059170|0.059998|1.862554|0.051622|1.808159|1.580264|1.495173|1.532269|1.684794|1.678602|1.528984|1.414254|1.415787|4.970066|9.461336|5.022007|17.597320|0.161285|0.110031|0.141837|0.116270|0.126197|0.099748|0.066052|0.069733|0.052339|0.051674|0.042417|0.042759|0.038318|0.042009|0.049729|0.041868|0.036836|0.036881|0.094778|0.091993|0.303160|0.302275|0.500000| 1668.664198 -9568.196018 3590.847357 -196.306714 -4504.991177 2834.442301 -1670.548875 2.001129 406180000000000B 4447BDEADBDB2E0C 43CB807BC83B4908 41B15BE346000001 4046000000000000 4311F67EC4A44083