Version2.3 2021-04-01T10:45:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 26-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c2c(=O)[nH]c(nc2sc1C(=O)OCC=C)C[NH+](C[C@@H](Cc3ccccc3)O)C(C)C C35746671 RHF 6-31G(d) (6D,7F) Cc1c2c(=O)[nH]c(nc2sc1C(=O)OCC=C)C[NH+](C[C@@H](Cc3ccccc3)O)C(C)C C01[X(C24H30N3O4S1)] 180 C1 544 C=CCOC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)C[NH+](C(C)C)C[C@@H](Cc1ccccc1)O C=CCOC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)C[NH+](C(C)C)C[C@@H](Cc1ccccc1)O CC(C)[NH+](C[C@H](O)Cc1ccccc1)CC2=Nc3sc(c(C)c3C(=O)N2)C(=O)OCC=C InChIKey=IUOROSFCBOXHKQ-GOSISDBHSA-O InChI=1S/C24H29N3O4S/c1-5-11-31-24(30)21-16(4)20-22(29)25-19(26-23(20)32-21)14-27(15(2)3)13-18(28)12-17-9-7-6-8-10-17/h5-10,15,18,28H,1,11-14H2,2-4H3,(H,25,26,29)/p+1/t18-/m1/s1 InChI=1/C24H29N3O4S/c1-5-11-31-24(30)21-16(4)20-22(29)25-19(26-23(20)32-21)14-27(15(2)3)13-18(28)12-17-9-7-6-8-10-17/h5-10,15,18,28H,1,11-14H2,2-4H3,(H,25,26,29)/p+1/t18-/m1/s1/fC24H30N3O4S/h25,27H/q+1 Cc1c2c(=O)[nH]c(nc2sc1C(=O)OCC=C)C[NH+](C[C@@H](Cc3ccccc3)O)C(C)C C01[X(C24H30N3O4S1)] 180 C01 544 C=CCOC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)C[NH+](C(C)C)C[C@@H](Cc1ccccc1)O C=CCOC(=O)C1=[C]([C]2[C](S1)N=C(NC2=O)C[NH](C(C)C)C[C@@H](C[C]1[CH][CH][CH][CH][CH]1)O)C CC(C)[NH](C[C@H](O)C[C]1[CH][CH][CH][CH][CH]1)CC2=N[C]3SC(=C(C)[C]3C(=O)N2)C(=O)OCC=C InChIKey=LUIKIWWNWBHYNN-GOSISDBHSA-N InChI=1S/C24H30N3O4S/c1-5-11-31-24(30)21-16(4)20-22(29)25-19(26-23(20)32-21)14-27(15(2)3)13-18(28)12-17-9-7-6-8-10-17/h5-10,15,18,27-28H,1,11-14H2,2-4H3,(H,25,26,29)/t18-/m1/s1 InChI=1/C24H30N3O4S/c1-5-11-31-24(30)21-16(4)20-22(29)25-19(26-23(20)32-21)14-27(15(2)3)13-18(28)12-17-9-7-6-8-10-17/h5-10,15,18,27-28H,1,11-14H2,2-4H3,(H,25,26,29)/t18-/m1/s1/f/h25H 3393.4764851641 -1786.4388383 1-A 19004.5277 121 423 544 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0.6979 0.5205 0.8329 0.3050 0.8571 0.7053 0.6497 0.7553 0.8318 0.6617 0.8479 0.6397 0.5502 0.4582 0.8221 0.6847 0.5084 0.5935 0.4987 0.7940 0.8563 0.8533 0.8532 0.7288 0.8565 0.8276 0.8179 0.5567 0.6469 0.8565 0.7773 0.4139 0.3367 0.7356 0.3274 0.1336 0.0254 0.0133 0.1320 0.5497 0.7403 0.1253 0.3469 0.5695 0.8571 0.1294 0.6965 0.6453 0.8228 0.8564 0.2961 0.8153 0.7124 0.5968 0.3265 0.7961 0.3092 0.7233 0.8525 0.7681 0.2045 0.7650 0.1925 0.4486 0.3800 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 61 62 6 6 6 6 8 7 1 6 7 6 16 6 6 8 8 6 6 6 6 7 1 6 6 1 6 6 6 6 6 6 6 8 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 1 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 1.00783 12.00000 14.00307 12.00000 31.97207 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 1.00783 14773.1555 21456.6807 31888.7586 0.99905 0.04357 -0.00326 -0.04358 0.99905 -0.00306 0.00313 0.00320 0.99999 1 0.00586 0.00404 0.00272 0.12216 0.08411 0.05659 15.49 20.71 31.38 40.11 54.51 63.63 79.75 82.28 99.92 101.54 109.81 124.81 135.20 148.57 173.96 185.92 226.00 242.22 251.67 278.90 311.01 323.37 334.83 355.17 375.66 385.44 393.66 394.85 421.69 445.13 501.92 533.16 543.09 557.53 566.87 581.03 617.60 630.72 653.53 662.29 700.75 706.06 733.70 752.36 766.56 784.44 814.46 854.21 879.25 902.14 945.32 946.70 976.60 978.97 996.20 1020.53 1056.09 1114.70 1125.59 1176.77 1213.57 1241.46 1246.91 1261.14 1273.76 1336.22 1363.08 1382.61 1404.88 1425.25 1442.10 1460.64 1475.40 1491.21 1497.35 1504.51 1540.85 1554.64 1567.89 1586.86 1592.36 1592.59 1593.80 1600.97 1626.20 1635.20 1638.61 1640.73 1650.86 1678.28 1685.10 1690.89 1707.33 1758.15 1761.66 1784.38 1807.73 1819.61 1847.95 1876.30 1884.77 1893.00 1895.01 1902.20 1938.39 1967.05 1986.05 2003.49 2009.40 2035.73 2053.42 2061.64 2078.00 2096.01 2103.24 2140.95 2178.08 2191.15 2213.58 2216.03 2223.28 2238.12 2259.99 2262.81 2283.82 2296.40 2301.56 2308.36 2316.14 2332.70 2333.05 2340.54 2342.88 2348.75 2355.79 2360.66 2368.08 2372.42 2376.51 2381.61 2382.32 2403.82 2434.62 2531.46 2567.35 2602.56 2643.58 2714.14 2866.23 2893.92 4624.80 4634.61 4643.94 4656.33 4659.33 4693.81 4699.47 4721.49 4732.66 4734.86 4737.19 4741.02 4750.83 4757.40 4780.41 4800.74 4802.56 4820.15 4821.05 4826.15 4826.36 4828.81 4855.48 4870.62 4874.51 4889.22 4921.01 5238.64 5503.12 5853.11 0.555990 0.586377 0.587321 0.489502 -1785.882848 -1785.852461 -1785.851517 -1785.949337 3.280899D-04 MUNgauss RevisionA2.1 retrievium 01-Apr-2021 DUDE Cc1c2c(=O)[nH]c(nc2sc1C(=O)OCC=C)C[NH+](C[C@@H](Cc3ccccc3)O)C(C)C C35746671 RHF 6-31G(d) (6D,10F) C1 456.195703 |X|Y|Z| 83.572436 103.100132 37.287974 68.490503 20 6 7 16 16 3 1 |36.858105| |12.651267|36.858105| |7.369291|13.189050|36.858105| |6.049070|7.309852|13.094160|36.858105| |6.216613|6.136665|7.966100|16.022281|73.516695| |4.203996|5.054398|8.036528|13.491284|15.075854|53.358707| |3.692325|4.141148|5.827170|9.343715|14.066238|25.934531|0.500000| |3.638020|4.598125|7.010894|7.806804|9.697345|19.253093|0.257829|36.858105| |3.806287|5.188021|7.813098|6.645549|8.365513|11.187150|0.164801|14.976172|53.358707| |5.059503|8.109962|13.947466|7.853325|9.511372|9.860988|0.145806|8.505473|18.842077|36.858105| |4.666737|7.307294|7.428492|4.832567|6.833857|5.979673|0.099172|4.961884|9.598402|11.148653|388.023441| |7.424052|14.048258|8.288713|5.138272|7.710009|5.603501|0.095183|4.108517|6.803507|7.755550|77.296160|36.858105| |5.980062|7.457915|5.082434|3.729863|5.991662|4.250447|0.075408|3.118974|4.969761|4.887432|48.637574|12.836711|36.858105| |6.249077|6.342587|4.338574|3.401364|5.718802|3.838344|0.069594|2.739741|4.193070|3.950931|34.602352|8.024930|16.038573|73.516695| |4.265925|5.267433|4.176373|3.175494|5.055786|3.812666|0.068108|2.904361|4.720328|4.402763|48.247008|8.244528|14.436192|15.282392|73.516695| |3.471424|3.900714|3.203984|2.586751|4.239696|3.154589|0.057641|2.383262|3.749577|3.306343|32.110667|5.209101|8.089339|12.716257|23.601910|36.858105| |2.807141|3.186945|2.786975|2.298500|3.744559|2.892656|0.053160|2.233734|3.530341|2.987691|28.861362|4.094721|5.290427|8.219277|14.320672|12.737370|36.858105| |2.445120|2.718801|2.427714|2.049763|3.367441|2.609076|0.048422|2.014431|3.140521|2.592912|23.916246|3.346294|4.107537|6.676943|9.827571|7.679072|14.462778|36.858105| |2.832543|3.369517|4.506016|5.034343|7.237336|10.632032|0.203558|12.597282|10.822522|5.225480|26.581782|3.127910|2.525569|4.016345|4.294456|2.046221|1.961867|1.800043|36.858105| |2.520595|3.020963|3.826725|3.896221|5.731405|7.039887|0.131846|7.752466|9.711178|4.714405|26.425044|2.953749|2.439240|3.839199|4.279929|2.051306|2.013404|1.851917|12.833910|53.358707| |2.659132|3.275142|4.148829|3.985964|5.748352|6.890181|0.122907|7.859845|12.001438|5.475873|31.177269|3.288811|2.686953|4.156148|4.773007|2.256128|2.225469|2.039701|9.481631|25.615998|0.500000| |2.421663|2.875190|3.541805|3.560533|5.341428|6.096125|0.115415|6.038889|7.988552|4.274464|25.068791|2.836833|2.376200|3.752242|4.193131|2.023683|1.997192|1.820558|7.639646|17.130323|0.260785|36.858105| |2.378108|2.863582|3.390549|3.194288|4.806506|5.069544|0.093500|4.846588|7.402654|4.238550|27.329434|2.956973|2.516401|3.915324|4.573259|2.204466|2.221400|2.010770|5.181032|10.339208|0.220227|12.478379|36.858105| |2.688375|3.340616|3.982513|3.580616|5.265948|5.537951|0.098496|5.365830|9.058311|5.249874|34.378402|3.519753|2.929079|4.465623|5.340320|2.511565|2.514651|2.235782|5.109496|9.169329|0.216675|8.918427|17.559465|0.500000| |2.134726|2.495416|2.843271|2.710497|4.215226|4.152259|0.078727|3.663072|5.359054|3.355618|22.525436|2.575621|2.263405|3.581451|4.127981|2.038334|2.069561|1.876367|3.856790|6.727979|0.135220|7.563079|12.432303|0.246009|36.858105| |2.025335|2.359744|2.592016|2.404398|3.776370|3.546342|0.066909|3.052662|4.613663|3.048405|21.951864|2.508144|2.268731|3.581282|4.247730|2.128324|2.214333|2.006698|3.088271|5.165051|0.109466|4.921769|7.554377|0.191669|12.573002|36.858105| |2.157188|2.522425|2.701124|2.444818|3.847340|3.493821|0.065236|2.944025|4.541801|3.156676|23.775126|2.735609|2.509828|3.939646|4.756929|2.384058|2.492782|2.215471|2.838129|4.514726|0.097518|4.094215|5.784571|0.172899|7.541577|13.687218|36.858105| |1.989383|2.293590|2.385809|2.148194|3.426435|3.013789|0.056599|2.491286|3.832514|2.739992|21.453908|2.526464|2.401755|3.798449|4.657835|2.403673|2.588094|2.317000|2.394705|3.734081|0.081132|3.201130|4.219211|0.124901|5.011136|7.899124|13.766534|36.858105| |1.768031|2.016603|2.100587|1.915715|3.077007|2.708950|0.051375|2.239229|3.401130|2.399138|18.611573|2.206811|2.114461|3.375062|4.108955|2.157037|2.354384|2.166614|2.203207|3.469010|0.075043|2.915515|3.768532|0.106072|4.425300|6.828068|7.933168|13.734424|36.858105| |1.692607|1.929780|2.046883|1.894800|3.038388|2.730976|0.052136|2.283889|3.428311|2.349201|17.692521|2.081609|1.964110|3.141357|3.767856|1.962715|2.116783|1.971300|2.311841|3.734959|0.080014|3.170003|4.146108|0.109915|5.008112|7.892842|6.883119|7.950452|13.765705|36.858105| |1.792821|2.060761|2.236476|2.089791|3.321446|3.074073|0.058674|2.618559|3.909610|2.597149|18.932998|2.194492|2.022222|3.220293|3.820135|1.952091|2.063644|1.907521|2.704250|4.518730|0.095640|4.032955|5.606436|0.138631|7.545698|13.701929|7.956703|6.885951|7.934333|13.730158|36.858105| |2.171626|2.595349|3.012825|2.824941|4.299342|4.436660|0.082686|4.199493|6.467367|3.757657|25.305730|2.720669|2.360788|3.677541|4.367598|2.131723|2.188349|2.017201|4.647030|9.675006|0.223843|8.144933|13.578300|0.259386|7.799401|6.409138|4.872085|3.910630|3.750002|4.326159|5.761430|73.516695| |2.132599|2.479624|2.997143|3.069524|4.721214|5.256650|0.103681|5.028155|6.421797|3.524736|21.204339|2.446143|2.089702|3.335625|3.706947|1.818693|1.808050|1.693838|7.527617|16.897997|0.256988|7.511467|5.612095|0.132651|4.155141|3.344387|2.865267|2.451186|2.362014|2.606598|3.124034|11.262982|36.858105| |1.970175|2.226950|2.664615|2.841302|4.511575|4.875094|0.101769|4.289556|5.144489|2.976071|17.833350|2.152875|1.859360|3.018683|3.259431|1.619085|1.598286|1.503057|6.462181|10.236732|0.157490|5.898073|4.299354|0.103359|3.549680|2.862930|2.481437|2.145045|2.073421|2.278295|2.695734|7.914280|12.497738|36.858105| |2.117959|2.462687|2.935852|2.957426|4.566516|4.909060|0.095841|4.572423|6.077869|3.451481|21.269858|2.451569|2.108042|3.361760|3.759077|1.848673|1.843030|1.747031|6.031301|10.379419|0.211567|4.999384|4.330630|0.110836|3.316730|2.864793|2.538489|2.241476|2.181683|2.376185|2.740141|9.100320|12.499439|7.480194|36.858105| |17.582762|8.934563|6.640544|6.134742|12.079220|5.791368|0.106042|3.583465|4.945923|4.627721|29.214443|5.846413|4.846735|8.977615|6.536415|3.073392|2.547133|2.224054|2.817308|3.389002|0.071740|2.439032|2.370352|0.073970|2.158429|2.030928|2.165052|1.982440|1.753330|1.679127|1.786296|3.788425|2.098431|1.963970|2.047270|0.500000| |17.713342|8.886414|5.485879|4.532854|8.198259|4.659383|0.085010|3.082482|4.462292|4.241244|30.565580|7.007045|6.827752|14.806950|8.242566|3.884477|3.021780|2.617726|2.478978|3.077106|0.066484|2.190209|2.188834|0.068517|1.990984|1.922066|2.066757|1.937409|1.725764|1.638380|1.714749|3.589720|1.943129|1.794335|1.939799|0.300006|0.500000| |17.582651|8.936423|6.639215|6.128340|12.049944|5.786815|0.105974|3.583446|4.946850|4.628893|29.234836|5.850167|4.853574|8.998777|6.542172|3.078343|2.545508|2.271095|2.824637|3.361839|0.071948|2.324742|2.246157|0.069477|2.004697|1.889574|1.981776|1.830113|1.647059|1.592314|1.689596|3.693651|2.116931|1.972358|2.128982|0.304029|0.300081|0.500000| |3.433391|3.725929|3.045654|2.496753|4.143525|3.030987|0.055749|2.265243|3.512897|3.078182|28.595610|4.766558|7.217091|12.723293|16.464853|17.641045|8.870718|7.234841|1.953896|2.640351|0.059020|1.889554|2.027298|0.063391|1.867221|1.929313|2.123252|2.130174|1.940095|1.789192|1.785163|3.514111|1.736764|1.555450|1.783900|0.083109|0.108535|0.086655|0.500000| |3.461551|3.746709|3.052853|2.502452|4.157127|3.033621|0.055800|2.263908|3.508044|3.077650|28.541274|4.791640|7.318678|13.023889|16.547286|17.615622|8.879090|5.999794|1.949149|2.647851|0.058753|1.945370|2.111045|0.066550|1.984086|2.073342|2.345289|2.372072|2.111291|1.907002|1.893126|3.582534|1.722411|1.548462|1.730507|0.087062|0.109821|0.083886|0.301706|0.500000| |2.707328|3.117860|2.787477|2.301266|3.722062|2.929083|0.053746|2.287811|3.642903|3.046731|29.642065|3.987897|4.855388|7.387711|12.701870|8.690479|17.682853|9.151500|2.017529|2.856253|0.064538|2.114336|2.398193|0.075964|2.256723|2.462251|2.834803|2.997954|2.689014|2.366694|2.283863|4.179101|1.874933|1.649691|1.889707|0.069426|0.079571|0.067701|0.171709|0.205537|0.500000| |2.179088|2.420770|2.213424|1.894553|3.112339|2.446459|0.045636|1.903339|2.955943|2.387150|21.567913|2.917261|3.415830|5.562578|7.835846|5.498903|9.111147|17.724611|1.725365|2.443752|0.054847|1.773012|1.973885|0.060426|1.856907|2.010998|2.215266|2.357780|2.241652|2.032180|1.938588|3.558681|1.658511|1.470794|1.710492|0.055737|0.063943|0.056585|0.142795|0.129556|0.218183|0.500000| |2.430543|2.651507|2.349780|1.999798|3.314210|2.531100|0.047176|1.934698|2.983849|2.467411|22.203978|3.207020|3.963827|6.675547|8.955287|6.962671|9.087136|17.699178|1.729998|2.397376|0.053650|1.715197|1.866279|0.057242|1.735106|1.831380|1.995825|2.063068|1.940373|1.789027|1.744565|3.333407|1.619962|1.446532|1.683190|0.060923|0.072930|0.063483|0.217000|0.152846|0.173416|0.289329|0.500000| |2.679119|3.086989|4.022500|4.703738|7.101486|9.740547|0.212489|8.821377|8.088771|4.381819|23.070771|2.827775|2.321820|3.748622|3.925999|1.894514|1.813087|1.664822|17.633624|12.329683|0.183815|7.320395|4.745687|0.126260|3.785530|2.976308|2.726866|2.294861|2.110668|2.217800|2.601479|7.312747|6.389808|6.563858|4.894047|0.075722|0.065237|0.074148|0.050262|0.050703|0.051883|0.044410|0.044489|0.500000| |2.695515|3.146329|4.097398|4.618366|6.869159|9.215986|0.187232|8.998539|8.715772|4.596750|24.281000|2.918482|2.390407|3.833647|4.065756|1.955241|1.875802|1.740874|17.636039|12.327319|0.211552|5.604369|4.199205|0.114701|3.247960|2.699565|2.492350|2.154433|2.012557|2.114911|2.432654|7.197821|7.398345|6.686017|6.917182|0.073535|0.065863|0.076348|0.052469|0.051467|0.053054|0.046376|0.046860|0.302369|0.500000| |2.628719|3.114122|3.911223|4.039189|6.024814|7.035187|0.133146|6.731127|8.352938|4.582573|25.748333|2.997790|2.477981|3.930629|4.292239|2.059955|2.002190|1.809207|7.734871|12.234294|0.201133|17.649049|8.863246|0.221340|6.679795|4.505026|3.983574|3.103593|2.758304|2.911623|3.602867|10.355365|5.656042|4.982584|4.145360|0.074840|0.065277|0.069578|0.053334|0.055519|0.058782|0.048580|0.047430|0.229338|0.150677|0.500000| |2.148730|2.485612|2.982496|3.056432|4.734872|5.139189|0.101512|4.726127|6.068823|3.455167|20.910264|2.445520|2.094925|3.354004|3.704748|1.820118|1.806077|1.662924|6.197934|12.326345|0.187386|17.657068|8.801514|0.174321|7.091728|4.620691|3.722569|2.973669|2.781751|3.098253|3.979433|12.477540|7.584750|6.774794|4.778801|0.060398|0.054433|0.057737|0.047474|0.048821|0.052994|0.045259|0.043667|0.180632|0.137681|0.301680|0.500000| |2.228565|2.586086|2.949355|2.843890|4.448023|4.326778|0.082398|3.713854|5.307079|3.398127|22.366017|2.629212|2.300750|3.664320|4.133134|2.037581|2.039465|1.834742|3.808865|6.196258|0.121775|6.975229|8.872501|0.213753|17.535972|8.881542|7.060059|4.701292|3.972705|4.223499|5.698933|10.089889|3.721746|3.320453|2.996990|0.063534|0.057495|0.057719|0.051761|0.055715|0.061673|0.050078|0.047239|0.107311|0.087951|0.200683|0.179779|0.500000| |1.936989|2.226129|2.528291|2.464414|3.888608|3.808991|0.073818|3.311785|4.674572|2.920691|19.432108|2.273132|2.016809|3.228287|3.664731|1.832891|1.863334|1.711160|3.652093|6.394951|0.123134|6.988458|8.886562|0.174199|17.552955|8.887181|5.633245|4.201152|3.976217|4.740962|7.202591|12.568795|4.265795|3.776034|3.322101|0.054465|0.050269|0.051084|0.047102|0.049581|0.055936|0.047239|0.044257|0.101817|0.087151|0.164885|0.216092|0.302319|0.500000| |2.393872|2.821186|3.023800|2.712345|4.245948|3.832877|0.070927|3.201022|4.960244|3.519389|26.286226|3.048789|2.759076|4.312538|5.152058|2.539876|2.596780|2.267386|2.993194|4.627977|0.099637|4.228552|5.719122|0.184438|6.988546|8.891078|17.691811|8.941668|5.647837|4.955376|5.647315|7.990889|2.840559|2.479354|2.509687|0.067353|0.063391|0.060311|0.062383|0.070085|0.081943|0.062044|0.056837|0.080306|0.072034|0.120229|0.103892|0.209543|0.142413|0.500000| |2.035445|2.331964|2.372447|2.116290|3.397494|2.912570|0.054615|2.367318|3.644669|2.684288|21.515898|2.596478|2.522060|4.002843|4.936677|2.582317|2.798392|2.472546|2.234009|3.396110|0.073864|2.851973|3.603655|0.109408|4.090024|5.631979|8.932287|17.724217|8.908996|5.650984|4.959301|5.908850|2.221075|1.962402|2.057943|0.056364|0.055643|0.051592|0.062789|0.071742|0.091779|0.069855|0.060570|0.059554|0.056131|0.078408|0.073254|0.111452|0.096726|0.216235|0.500000| |1.664883|1.879794|1.931165|1.761324|2.852023|2.466651|0.046947|2.014313|3.044542|2.178251|17.079008|2.063883|2.013924|3.240488|3.941796|2.111644|2.338063|2.176695|1.974448|3.058625|0.066111|2.511446|3.126929|0.088552|3.541308|4.929457|5.644339|8.906688|17.727847|8.916577|5.643160|5.603759|2.106331|1.867454|1.977619|0.045746|0.045520|0.043156|0.052860|0.057583|0.074345|0.063386|0.053989|0.052593|0.050656|0.066487|0.066893|0.090456|0.090519|0.124249|0.214705|0.500000| |1.556525|1.758557|1.858013|1.732422|2.797539|2.496131|0.047988|2.072667|3.078875|2.112299|15.855647|1.889323|1.796213|2.894212|3.443269|1.814053|1.964283|1.856810|2.118016|3.398058|0.072392|2.813837|3.524280|0.092568|4.088637|5.629861|4.957818|5.649046|8.916505|17.723931|8.919847|6.757535|2.436995|2.153301|2.252773|0.042805|0.041975|0.040943|0.046334|0.048880|0.060427|0.053562|0.047072|0.056544|0.054554|0.071582|0.077684|0.097418|0.112677|0.107575|0.124149|0.214778|0.500000| |1.699577|1.941144|2.124406|2.016209|3.216380|3.005106|0.057944|2.564843|3.755071|2.452483|17.488201|2.042497|1.874917|3.003225|3.511318|1.797843|1.889083|1.763671|2.730027|4.633207|0.096087|4.109129|5.418764|0.126392|6.995393|8.900107|5.647993|4.957189|5.648733|8.926129|17.695134|10.591378|3.341572|2.904246|2.890295|0.047048|0.044995|0.044892|0.046138|0.048313|0.057299|0.049748|0.045221|0.073358|0.068784|0.099205|0.117976|0.145060|0.218170|0.123985|0.107606|0.124221|0.215885|0.500000| |2.097972|2.501437|2.827895|2.603225|3.996821|3.964723|0.073813|3.635632|5.711652|3.506109|24.980410|2.676932|2.367705|3.678319|4.465515|2.197829|2.297608|2.121269|3.838029|7.235036|0.169010|5.972133|9.801698|0.227222|7.316140|7.318639|5.491653|4.509076|4.434724|5.242395|7.012285|35.613904|4.890682|3.668481|4.288956|0.056963|0.054805|0.055447|0.056240|0.057584|0.069358|0.059034|0.054273|0.095677|0.095105|0.131310|0.148338|0.147171|0.179508|0.133002|0.103632|0.101590|0.125412|0.192425|0.500000| |1.999214|2.320791|2.742811|2.745069|4.255329|4.531240|0.088646|4.233262|5.711656|3.241729|20.356088|2.330564|2.020013|3.220393|3.633410|1.795922|1.808666|1.697336|5.642838|12.553887|0.219868|7.565679|6.343458|0.139867|4.739162|3.797631|3.125644|2.663270|2.607621|2.957585|3.636363|14.416668|17.695460|8.879042|8.956435|0.054716|0.051131|0.054611|0.047368|0.047306|0.052552|0.046537|0.044805|0.140378|0.147218|0.149715|0.228475|0.112095|0.140201|0.083889|0.065877|0.063972|0.076953|0.111489|0.166547|0.500000| |2.035831|2.281423|2.751417|3.017378|4.833645|5.271777|0.113645|4.485258|5.143762|3.004837|17.646127|2.169842|1.865315|3.045059|3.233673|1.604457|1.569022|1.476839|6.886997|8.941922|0.142905|4.986654|3.711691|0.093285|3.090950|2.545326|2.265353|1.975924|1.897526|2.050938|2.381386|6.662462|8.724420|17.580649|6.837731|0.056374|0.051166|0.057289|0.043087|0.042630|0.044650|0.039934|0.039722|0.199137|0.223274|0.125810|0.147990|0.082344|0.089054|0.063678|0.050843|0.047864|0.053893|0.070024|0.088049|0.172868|0.500000| |1.782661|1.995325|2.335521|2.460162|3.963517|4.074798|0.084891|3.485212|4.327544|2.588816|15.995834|1.946288|1.707275|2.785654|3.013854|1.513438|1.504740|1.426751|4.775894|7.519509|0.127160|4.657740|3.715712|0.089656|3.190884|2.655556|2.296047|2.018397|1.983812|2.199678|2.575210|7.129045|8.960465|17.590537|6.792790|0.049223|0.045531|0.049664|0.040516|0.040195|0.043093|0.038992|0.038207|0.132989|0.140237|0.110536|0.149566|0.082066|0.096062|0.062877|0.051262|0.049979|0.058623|0.078281|0.094593|0.217778|0.303397|0.500000| |1.945799|2.186554|2.608683|2.801153|4.480591|4.789594|0.101028|4.130137|4.921701|2.883375|17.281749|2.105575|1.822336|2.968550|3.186271|1.586047|1.563385|1.463248|6.030325|9.395855|0.142465|6.471631|4.479919|0.105348|3.859798|3.011823|2.584984|2.207460|2.121747|2.336612|2.800923|7.766222|8.713710|17.573931|5.444721|0.054510|0.049227|0.053714|0.042137|0.042448|0.045044|0.039782|0.039003|0.189543|0.157564|0.155705|0.232763|0.102220|0.117100|0.072064|0.055923|0.052804|0.060997|0.084107|0.100224|0.209097|0.300485|0.303461|0.500000| |2.193329|2.592587|3.063037|2.970288|4.534338|4.793092|0.090781|4.531928|6.515742|3.718940|23.699617|2.641423|2.271940|3.579426|4.110061|2.009017|2.021029|1.916957|5.398696|9.549489|0.230194|4.827290|4.563679|0.120299|3.412244|3.032580|2.707860|2.405861|2.344442|2.543525|2.909505|10.152777|8.785613|5.461275|17.569518|0.058255|0.056115|0.060830|0.053683|0.051728|0.057663|0.052229|0.051080|0.119693|0.161736|0.111092|0.122671|0.084383|0.092619|0.073876|0.061272|0.058989|0.066763|0.084128|0.135835|0.215473|0.139332|0.140089|0.122168|0.500000| |1.894220|2.164611|2.518277|2.541581|4.011574|4.106829|0.081600|3.642173|4.851788|2.890697|18.369183|2.162948|1.896994|3.053735|3.400439|1.697962|1.705041|1.632310|4.605748|7.558047|0.151038|4.144844|3.707697|0.093934|2.993638|2.637750|2.327796|2.087606|2.066834|2.272499|2.593544|7.890144|8.934601|6.857535|17.589193|0.050983|0.048651|0.053001|0.045692|0.044262|0.048504|0.044693|0.043800|0.111386|0.144253|0.097030|0.115722|0.075001|0.085264|0.063200|0.053225|0.052447|0.060822|0.077226|0.107065|0.216179|0.171296|0.203555|0.139800|0.302731|0.500000| |2.222051|2.568176|3.095308|3.192868|4.942787|5.375053|0.106307|4.891736|6.201838|3.557072|21.293174|2.509346|2.141405|3.433430|3.764003|1.846197|1.817187|1.723368|6.445863|9.148545|0.183971|4.427971|3.760578|0.099748|2.944902|2.559184|2.322527|2.062800|1.989787|2.130612|2.421262|7.391614|8.704378|6.738728|17.568457|0.059442|0.056097|0.062939|0.049889|0.047989|0.051260|0.046523|0.046494|0.142678|0.238236|0.108054|0.115966|0.076018|0.081041|0.064760|0.053306|0.050491|0.056088|0.069936|0.099359|0.173350|0.201012|0.165534|0.138584|0.299871|0.303174|0.500000| 1784.545519 -10953.259338 4202.089857 -213.291660 -5179.915622 3393.476729 -1786.438893 2.001061 4062000000000008 44AE7DB5ED204F59 44300FA669F16A0F 41AE3A279FFFFFFE BC2BAB8CAC000001 433ECE86310C8B4E