Version2.0 2020-02-18T15:54:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 06-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1cc(ccc1OC[C@H](C[NH+](Cc2cc(c(c(c2)OC)OC)OC)[C@@H]3CCS(=O)(=O)C3)O)C=O C40319973 RHF 6-31G(d) (6D,7F) COc1cc(ccc1OC[C@H](C[NH+](Cc2cc(c(c(c2)OC)OC)OC)[C@@H]3CCS(=O)(=O)C3)O)C=O C01[X(C25H34N1O9S1)] 204 C1 612 COc1cc(C=O)ccc1OC[C@H](C[NH+]([C@@H]1CCS(=O)(=O)C1)Cc1cc(OC)c(c(c1)OC)OC)O COc1cc(C=O)ccc1OC[C@H](C[NH+]([C@@H]1CCS(=O)(=O)C1)Cc1cc(OC)c(c(c1)OC)OC)O COc1cc(C=O)ccc1OC[C@@H](O)C[NH+](Cc2cc(OC)c(OC)c(OC)c2)[C@@H]3CC[S](=O)(=O)C3 InChIKey=OBYZYOLUEFGLJB-UXHICEINSA-O InChI=1S/C25H33NO9S/c1-31-22-9-17(14-27)5-6-21(22)35-15-20(28)13-26(19-7-8-36(29,30)16-19)12-18-10-23(32-2)25(34-4)24(11-18)33-3/h5-6,9-11,14,19-20,28H,7-8,12-13,15-16H2,1-4H3/p+1/t19-,20+/m1/s1 InChI=1/C25H33NO9S/c1-31-22-9-17(14-27)5-6-21(22)35-15-20(28)13-26(19-7-8-36(29,30)16-19)12-18-10-23(32-2)25(34-4)24(11-18)33-3/h5-6,9-11,14,19-20,28H,7-8,12-13,15-16H2,1-4H3/p+1/t19-,20+/m1/s1/fC25H34NO9S/h26H/q+1 COc1cc(ccc1OC[C@H](C[NH+](Cc2cc(c(c(c2)OC)OC)OC)[C@@H]3CCS(=O)(=O)C3)O)C=O C01[X(C25H34N1O9S1)] 204 C01 612 COc1cc(C=O)ccc1OC[C@H](C[NH+]([C@@H]1CCS(=O)(=O)C1)Cc1cc(OC)c(c(c1)OC)OC)O COc1cc(C=O)ccc1OC[C@H](C[NH]([C@@H]1CC[S@](=O)(C1)O)Cc1cc(OC)c(c(c1)OC)OC)O COc1cc(C=O)ccc1OC[C@@H](O)C[NH](Cc2cc(OC)c(OC)c(OC)c2)[C@@H]3CC[S](O)(=O)C3 InChIKey=VTHDREFHWSOXQU-UXHICEINSA-N InChI=1S/C25H35NO9S/c1-31-22-9-17(14-27)5-6-21(22)35-15-20(28)13-26(19-7-8-36(29,30)16-19)12-18-10-23(32-2)25(34-4)24(11-18)33-3/h5-6,9-11,14,19-20,26,28H,7-8,12-13,15-16H2,1-4H3,(H,29,30)/t19-,20+/m1/s1 InChI=1/C25H35NO9S/c1-31-22-9-17(14-27)5-6-21(22)35-15-20(28)13-26(19-7-8-36(29,30)16-19)12-18-10-23(32-2)25(34-4)24(11-18)33-3/h5-6,9-11,14,19-20,26,28H,7-8,12-13,15-16H2,1-4H3,(H,29,30)/t19-,20+/m1/s1/f/h29H 4261.6433889245 -2091.8455623 1-A 26018.6343 139 473 612 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.29403 -20.70833 -20.70799 -20.69994 -20.69364 -20.69026 -20.66112 -20.65795 -20.65567 -20.63908 -15.84553 -11.46023 -11.44474 -11.44338 -11.43669 -11.41604 -11.41449 -11.41256 -11.40762 -11.40614 -11.40333 -11.40143 -11.39363 -11.38813 -11.38748 -11.38389 -11.38129 -11.38033 -11.37524 -11.34766 -11.34742 -11.34545 -11.34401 -11.33646 -11.33580 -11.33112 -9.27172 -6.95757 -6.95679 -6.95641 -1.57463 -1.54774 -1.53327 -1.52536 -1.52368 -1.51387 -1.48064 -1.47959 -1.47767 -1.45678 -1.28621 -1.27465 -1.26223 -1.21073 -1.17857 -1.15638 -1.14478 -1.13802 -1.13121 -1.11130 -1.09764 -1.07201 -1.06392 -1.05353 -1.04500 -1.01232 -0.99712 -0.98519 -0.96416 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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 15857.1859 34515.6509 45538.1232 0.99996 -0.00691 -0.00582 0.00685 0.99992 -0.01095 0.00590 0.01091 0.99992 1 0.00546 0.00251 0.00190 0.11381 0.05229 0.03963 6.36 15.40 20.82 35.23 43.60 46.69 72.93 78.63 80.62 85.56 93.59 107.99 111.15 132.91 140.78 144.90 158.93 175.49 192.46 222.29 229.32 246.47 275.02 284.19 290.56 324.60 328.99 332.14 354.77 377.80 398.18 402.79 417.26 437.37 455.40 459.31 464.62 486.49 518.09 526.45 545.27 565.77 577.67 615.24 639.54 645.70 653.65 691.59 724.36 739.59 764.15 783.73 822.25 833.44 850.01 855.74 869.26 906.83 921.66 947.16 973.21 977.56 985.30 1009.72 1019.77 1073.67 1159.94 1165.00 1171.85 1213.28 1238.34 1240.07 1249.74 1259.14 1344.25 1353.27 1364.58 1379.94 1394.20 1429.62 1436.49 1457.29 1460.22 1473.68 1478.78 1488.11 1528.63 1541.23 1575.18 1587.25 1610.07 1635.72 1636.60 1648.43 1655.94 1665.55 1708.66 1712.15 1727.14 1752.47 1764.15 1795.84 1804.47 1810.71 1818.34 1836.38 1851.80 1855.77 1858.36 1860.35 1861.21 1876.64 1883.64 1887.95 1906.79 1919.19 1919.75 1937.87 1949.43 1973.34 1981.28 2002.87 2014.76 2026.70 2035.79 2049.70 2054.44 2075.45 2080.77 2085.12 2103.53 2127.64 2143.58 2163.92 2174.46 2179.94 2208.80 2224.88 2237.83 2261.04 2286.97 2290.88 2302.55 2310.45 2321.75 2330.08 2332.72 2334.25 2354.45 2354.80 2362.37 2366.92 2368.24 2368.88 2372.52 2375.26 2377.31 2377.62 2380.65 2381.98 2385.47 2390.53 2399.23 2444.70 2457.56 2563.02 2571.17 2573.38 2607.56 2901.04 4569.16 4618.43 4623.96 4637.24 4644.83 4646.49 4686.27 4701.11 4710.06 4710.69 4719.20 4725.99 4727.42 4732.01 4738.36 4747.45 4747.53 4756.93 4803.85 4806.63 4811.50 4812.44 4817.09 4824.28 4824.29 4829.61 4831.88 4871.11 4871.31 4881.38 4889.07 4916.79 5237.21 5642.35 0.625878 0.660912 0.661856 0.551759 -2091.219684 -2091.184650 -2091.183706 -2091.293803 3.692671D-04 MUNgauss RevisionA2.0 retrievium 18-Feb-2020 DUDE COc1cc(ccc1OC[C@H](C[NH+](Cc2cc(c(c(c2)OC)OC)OC)[C@@H]3CCS(=O)(=O)C3)O)C=O C40319973 RHF 6-31G(d) (6D,10F) C1 524.195429 |X|Y|Z| 131.039483 85.476375 39.256276 76.041812 23 6 7 8 16 20 1 1 1 |36.858105| |13.494813|73.516695| |7.974478|24.925358|36.858105| |6.664313|13.969108|13.775607|36.858105| |4.494231|9.212637|7.923800|13.698769|36.858105| |3.782403|8.170235|6.830733|7.904864|13.752956|36.858105| |3.984024|9.352671|7.895865|6.875817|7.968968|13.773134|36.858105| |5.262497|14.453570|13.666767|7.963053|6.908586|7.951408|13.790843|36.858105| |4.747917|12.780427|8.048953|5.252943|4.622830|5.221310|7.973170|13.965937|73.516695| |3.926821|9.782875|5.725639|4.196362|3.829503|4.323707|6.073453|8.000059|24.130286|36.858105| |3.930436|9.303085|4.705489|3.542160|3.126114|3.321008|4.223771|5.470781|14.516178|12.521634|36.858105| |3.761484|8.591066|4.320017|3.292731|2.924857|3.113667|3.941330|5.016740|13.624961|9.017538|17.615487|0.500000| |3.093234|6.772836|3.536216|2.867301|2.616544|2.782755|3.381742|3.985135|9.136507|7.567840|12.420075|0.243310|36.858105| |2.963013|6.145881|3.078903|2.562201|2.307862|2.378818|2.774684|3.253308|7.012246|4.990107|7.566325|0.177504|12.606430|53.358707| |3.405287|7.048668|3.384267|2.780653|2.445311|2.473128|2.869071|3.457974|7.380268|5.040321|7.849154|0.180258|9.444644|25.615583|0.500000| |2.580205|5.206456|2.678587|2.312289|2.116622|2.171049|2.464959|2.790901|5.685948|3.969167|5.060111|0.119951|7.569236|16.969142|0.256587|36.858105| |2.574290|5.006557|2.529196|2.224963|2.015121|2.018960|2.237309|2.535547|4.990821|3.295077|4.052482|0.098660|5.069435|10.201495|0.210305|12.611755|36.858105| |2.978437|5.715565|2.816954|2.479412|2.199356|2.158650|2.369707|2.731164|5.261731|3.389159|4.109769|0.098470|4.648277|8.475251|0.206115|7.598427|13.720407|36.858105| |2.768719|5.080911|2.512452|2.275351|2.022337|1.955053|2.098603|2.385050|4.475374|2.773140|3.226241|0.080133|3.479247|5.918166|0.138629|5.033815|7.936722|13.687428|36.858105| |2.316592|4.221221|2.127441|1.950869|1.763672|1.717539|1.833707|2.046480|3.843240|2.371221|2.726363|0.069363|2.995129|5.071932|0.112043|4.446469|6.866592|7.886076|13.654976|36.858105| |2.109616|3.910309|1.996142|1.820741|1.665963|1.646508|1.772192|1.961773|3.735950|2.340765|2.710427|0.069413|3.102266|5.377772|0.112587|5.037706|7.934053|6.835222|7.899459|13.684045|36.858105| |2.199270|4.180692|2.139649|1.920644|1.760890|1.762774|1.926879|2.141950|4.160384|2.678472|3.177492|0.080435|3.851257|7.097549|0.141208|7.628968|13.776207|7.898710|6.843815|7.892286|13.654344|36.858105| |1.848640|3.394541|1.751773|1.616368|1.493061|1.477323|1.578036|1.725543|3.264839|2.021301|2.297243|0.059827|2.596248|4.326660|0.088997|3.880551|5.220178|4.625391|5.299834|8.250773|14.280239|7.895332|73.516695| |1.685753|3.119261|1.626877|1.500960|1.399797|1.398272|1.497908|1.623709|3.089662|1.920926|2.172456|0.057125|2.492095|4.098799|0.081562|3.681327|4.514191|3.784349|3.976872|5.259918|7.999901|6.709927|24.114074|36.858105| |2.143098|3.818939|1.934933|1.803943|1.636469|1.581255|1.666669|1.844155|3.416107|2.065517|2.326011|0.060068|2.488033|4.049104|0.089012|3.385137|4.627009|5.233107|8.031290|14.168854|8.029343|5.231466|12.782289|4.702323|73.516695| |1.975855|3.520260|1.815877|1.719217|1.576401|1.521344|1.586473|1.732011|3.164966|1.910795|2.097899|0.053997|2.239291|3.519334|0.076127|2.964228|3.843412|4.269749|5.928419|8.119957|5.962160|4.277191|10.475597|4.200461|23.947599|36.858105| |2.984374|5.287142|2.592263|2.389458|2.098808|1.987972|2.099474|2.389680|4.373020|2.630967|2.975009|0.074445|3.046565|4.882273|0.115480|3.874331|5.217836|7.902416|14.268583|8.246282|5.301544|4.628224|7.334730|3.217993|12.808751|5.841106|73.516695| |3.719284|6.498503|3.112307|2.864334|2.449478|2.274979|2.392552|2.773458|4.977538|2.943231|3.274807|0.080831|3.194397|4.894841|0.118823|3.674632|4.514485|6.723638|8.010454|5.262025|3.979803|3.788619|5.723612|2.660714|8.375619|4.175323|24.154770|36.858105| |2.632882|5.287110|2.654130|2.242080|2.036423|2.099891|2.426859|2.798892|6.018370|3.997232|5.694895|0.159176|7.548550|17.174643|0.256785|7.564850|5.681053|4.681147|3.652821|3.339254|3.643400|4.676088|5.444578|2.995730|4.887858|2.368465|5.459491|3.007281|36.858105| |2.336146|4.686099|2.419087|2.072160|1.915546|1.997706|2.302959|2.591109|5.519101|3.704870|4.909003|0.137137|6.861586|12.467144|0.181759|7.099536|5.066401|4.037639|3.232274|3.046413|3.418635|4.431831|5.248658|2.991133|4.509730|2.226777|4.850431|2.651741|17.616368|0.500000| |2.469189|4.753983|2.358083|2.036500|1.841777|1.864441|2.101610|2.405132|4.965715|3.139529|4.154627|0.115774|4.893521|10.210438|0.196892|6.254369|5.947424|4.877012|4.032147|3.852241|4.296332|5.392315|6.419391|3.498360|5.615003|2.621686|5.897588|3.104388|12.326204|0.242991|36.858105| |2.242830|4.244069|2.122190|1.850817|1.685408|1.708077|1.914448|2.167090|4.451939|2.719000|3.456883|0.101587|3.814354|6.725927|0.132102|4.209262|4.029293|3.537190|3.132106|3.073371|3.363313|3.894088|5.370166|3.009643|4.741388|2.254381|4.826527|2.573551|7.593658|0.182762|12.330355|36.858105| |2.311208|4.459384|2.251395|1.938042|1.773852|1.823201|2.077128|2.354494|4.976516|3.009745|3.852887|0.121801|4.090411|6.463328|0.123987|3.746637|3.340931|3.023667|2.638213|2.512898|2.678502|3.092250|4.293517|2.411721|3.929009|1.924601|4.191663|2.323893|7.354245|0.186556|7.103361|10.628970|388.023441| |2.333989|4.412000|2.213442|1.914673|1.745582|1.780841|2.014167|2.286176|4.777918|2.766384|3.429875|0.110577|3.391360|5.113708|0.103412|3.036630|2.813637|2.658110|2.385796|2.265410|2.352374|2.617581|3.815705|2.119183|3.624807|1.784018|3.900980|2.190863|5.021285|0.125914|5.081625|7.111094|94.955672|73.516695| |2.038588|3.959433|2.053260|1.787288|1.664329|1.731507|1.970330|2.183460|4.584547|2.818457|3.459010|0.107260|3.842557|5.772976|0.105427|3.542492|3.064922|2.706256|2.366988|2.291267|2.491605|2.903375|4.065334|2.347359|3.596197|1.792016|3.749495|2.068595|6.237714|0.192090|5.594401|7.274192|94.449625|13.562469|73.516695| |2.798240|5.634888|2.800619|2.330968|2.105848|2.178231|2.547237|2.977795|6.606717|4.164407|6.029490|0.199392|6.408659|10.193175|0.191261|4.885989|4.055765|3.704983|3.051268|2.773568|2.906015|3.461433|4.479869|2.456073|4.223624|2.069870|4.809962|2.736829|12.460491|0.247272|7.784995|7.201626|75.638506|12.764665|13.103836|36.858105| |4.902582|11.677635|5.176756|3.845806|3.219676|3.239228|3.923561|5.260529|12.030868|7.910321|13.615924|0.259185|8.122152|9.919657|0.266945|5.097111|4.505614|5.017134|3.879557|3.121054|2.985160|3.423722|4.406632|2.279017|4.699624|2.348733|6.480984|4.194741|5.317886|0.120696|4.302156|3.485672|25.840923|5.903684|5.572136|5.396718|73.516695| |3.675795|6.894008|5.063103|7.655814|12.791048|7.650744|5.070465|4.485788|6.036793|2.961556|2.524309|0.066221|2.190870|2.692999|0.057960|1.851384|1.788814|1.949170|1.829446|1.615222|1.521924|1.588717|2.449825|1.292836|2.700582|1.479618|3.407601|2.216042|1.768451|0.046514|1.626699|1.500054|11.114679|2.745174|2.621014|1.814541|4.646676|36.858105| |3.002106|5.655018|4.001294|5.314007|8.060347|6.690067|4.506436|3.805491|5.330899|2.678500|2.281995|0.060164|2.019430|2.478509|0.052727|1.719327|1.654304|1.780781|1.674532|1.494849|1.419246|1.482069|2.299935|1.221440|2.505694|1.380704|3.095294|1.979733|1.639009|0.043523|1.507532|1.396788|10.365224|2.555235|2.467949|1.676398|4.119816|16.047377|73.516695| |17.651134|16.904089|5.866811|4.874594|3.607159|3.181065|3.416104|4.424909|7.716275|3.726535|3.985465|0.108093|3.160124|4.265373|0.102092|2.690054|2.721021|3.169338|2.963120|2.470773|2.237649|2.324323|3.472924|1.772202|4.061090|2.070044|5.683953|3.957910|2.829612|0.068585|2.703036|2.462923|17.897494|4.568006|3.865974|3.040449|9.169100|3.042751|4.563550|0.500000| |17.602603|16.437817|7.234684|6.717359|4.632898|3.831917|3.925409|4.964015|7.775397|3.519454|3.437408|0.094134|2.741490|3.544190|0.081180|2.281189|2.258880|2.553306|2.396406|2.052193|1.888899|1.963947|2.982499|1.543732|3.411713|1.782508|4.556839|3.089768|2.369991|0.059180|2.226106|2.065150|15.338015|3.929216|3.409856|2.554653|7.144876|3.860217|5.570292|0.299948|0.500000| |17.588913|16.391228|6.837825|6.620931|4.493607|3.651316|3.688119|4.617946|7.222496|3.542070|3.508111|0.091031|2.881888|3.805151|0.088986|2.512709|2.556965|3.014147|2.862982|2.378268|2.133195|2.194349|3.323712|1.691219|3.946686|2.069460|5.650003|4.099035|2.456797|0.061013|2.334409|2.102981|15.098344|3.772438|3.361581|2.537746|7.759079|3.829531|5.502333|0.300131|0.298501|0.500000| |7.357003|12.536569|8.908166|17.739651|8.931495|5.642774|4.955370|5.647946|7.524362|3.536008|3.151036|0.081938|2.609886|3.271673|0.073096|2.193656|2.156711|2.434360|2.281542|1.955391|1.803500|1.876439|2.854568|1.481430|3.250480|1.746945|4.348640|2.970569|2.120384|0.054238|1.964391|1.790949|13.160530|3.271168|3.018221|2.193555|6.265632|7.123969|8.775377|0.144508|0.211832|0.228594|0.500000| |3.130589|6.490410|4.933206|5.640955|8.948101|17.756532|8.885802|5.645459|7.478881|3.673560|2.886959|0.075872|2.500054|2.928182|0.061403|1.991396|1.852178|1.959404|1.787282|1.588705|1.531822|1.636051|2.462706|1.318718|2.613311|1.423761|3.220599|2.044137|1.919378|0.051285|1.712023|1.578653|11.973067|2.922259|2.873275|1.981171|4.943700|7.103914|13.225166|0.075050|0.088651|0.084969|0.124426|0.500000| |3.339452|7.586810|5.640639|4.954819|5.649308|8.887490|17.727400|8.980490|12.957460|6.113748|4.157852|0.109517|3.425449|3.744507|0.077231|2.446891|2.181764|2.262996|1.994239|1.762132|1.724979|1.890503|2.743073|1.478437|2.840684|1.522039|3.498531|2.200647|2.431396|0.065103|2.079488|1.904550|14.874055|3.582668|3.582569|2.556774|6.495783|4.113911|6.894867|0.082484|0.091400|0.086006|0.107586|0.212609|0.500000| |3.913948|9.667788|5.875168|4.456169|4.096813|4.583172|6.182568|7.709836|16.454675|17.572695|8.860269|0.175422|6.819485|6.487324|0.135348|4.069517|3.430438|3.603136|2.935048|2.477909|2.423508|2.761376|3.698169|1.961891|3.824931|2.011484|4.978543|3.176626|3.668361|0.095090|2.970777|2.532859|19.200926|4.398318|4.520590|3.614450|12.906018|3.160635|5.064982|0.101036|0.095807|0.102107|0.103978|0.107707|0.165618|0.500000| |3.250541|7.587432|4.561500|3.588827|3.447588|4.041949|5.633340|6.337690|16.556511|17.555693|8.804682|0.212177|6.947765|6.155479|0.120026|3.705918|3.018106|3.000747|2.487116|2.178335|2.187548|2.514066|3.402823|1.846850|3.391733|1.776752|4.160635|2.556684|3.799564|0.102200|2.954197|2.607877|20.942745|4.777686|5.071302|3.969984|10.125074|2.735784|4.512280|0.086288|0.083462|0.082465|0.084841|0.099384|0.176447|0.299710|0.500000| |2.992633|6.553842|3.534622|2.920631|2.701683|2.888144|3.477431|3.989473|8.635314|7.374322|8.905152|0.175082|17.674187|12.397493|0.209044|7.735749|5.169040|4.786111|3.556256|3.041306|3.139458|3.893185|4.655567|2.505277|4.475957|2.306553|5.536923|3.279383|5.664275|0.151157|4.132590|3.254709|23.892289|5.074273|5.739430|4.735691|12.275196|2.267640|3.730659|0.083105|0.073510|0.079319|0.073593|0.072413|0.097867|0.216506|0.189980|0.500000| |2.714390|5.821377|3.116848|2.578864|2.405469|2.598028|3.151682|3.577050|8.167169|6.419342|8.697472|0.217412|17.634559|12.218146|0.184631|6.295149|4.300533|3.815815|2.990419|2.670292|2.823652|3.490311|4.311229|2.385402|4.007197|2.043768|4.681728|2.715297|7.390641|0.215818|4.649412|3.819517|30.742433|6.220858|7.669915|6.579753|10.327553|2.035396|3.377219|0.076847|0.068448|0.070114|0.065188|0.065916|0.091394|0.154663|0.189008|0.302604|0.500000| |2.595176|5.322297|2.805951|2.431720|2.248154|2.325629|2.645560|2.961001|5.956682|4.298401|5.132954|0.116736|7.762647|12.332110|0.205032|17.673795|8.938299|6.748745|4.627103|4.017788|4.380196|6.045088|6.172956|3.296959|5.579176|2.850047|6.594935|3.628375|5.686633|0.154792|4.661538|3.435268|22.822384|4.765769|5.501738|4.152938|8.939789|1.959400|3.243162|0.073554|0.063714|0.070852|0.063518|0.059337|0.073190|0.128396|0.111989|0.272719|0.175515|0.500000| |2.277585|4.544778|2.372362|2.072562|1.923425|1.987582|2.246788|2.495577|5.075507|3.486958|4.302736|0.107307|6.311638|12.264754|0.183477|17.650266|8.816535|5.584084|4.177805|3.974039|4.768344|7.319707|6.889187|3.902265|5.540212|2.757272|5.855121|3.081590|7.526539|0.231938|6.312830|4.386759|27.508322|5.426559|6.829186|4.745926|7.337425|1.697826|2.828599|0.065861|0.056873|0.061435|0.054645|0.051206|0.062787|0.097329|0.094002|0.173626|0.167133|0.303493|0.500000| |3.502530|6.910890|3.343230|2.880208|2.509564|2.451881|2.718113|3.208409|6.185353|4.021861|4.918978|0.112896|5.293625|9.020168|0.239204|7.027121|8.882570|17.739800|8.897579|5.623144|4.934991|5.628652|6.523817|3.129483|7.510863|3.621482|12.610213|7.512965|4.650991|0.109829|4.492272|3.348115|21.393793|4.761259|4.756609|3.845686|11.578584|2.185699|3.510792|0.102755|0.081365|0.098487|0.078020|0.060960|0.071170|0.121348|0.095372|0.153567|0.114868|0.189264|0.140757|0.500000| |2.010125|3.837492|1.989049|1.789513|1.658330|1.675905|1.835847|2.018748|3.942178|2.546662|2.995082|0.076969|3.705131|6.648198|0.124840|7.086615|8.928822|5.633681|4.940113|5.624428|8.876758|17.758908|12.577989|7.478685|7.504234|3.622913|6.527224|3.133075|4.667352|0.130869|5.311037|3.963096|22.367203|4.650849|5.432397|3.416017|5.515141|1.499492|2.503622|0.058699|0.050429|0.055334|0.048311|0.043493|0.050565|0.072180|0.067760|0.103417|0.097064|0.157367|0.226012|0.123994|0.500000| |1.559846|2.862926|1.499311|1.394308|1.305038|1.300619|1.384169|1.491913|2.818879|1.734281|1.938006|0.051310|2.184677|3.508777|0.070324|3.047234|3.621855|3.184304|3.414514|4.434485|5.895162|4.901213|17.008229|17.672713|7.655228|4.015981|5.131619|2.409064|2.582776|0.071699|2.984787|2.665292|15.436099|3.448615|3.769809|2.179336|3.608990|1.213795|2.044632|0.045474|0.039927|0.043580|0.038373|0.034202|0.037942|0.049152|0.046452|0.060980|0.058431|0.077363|0.088955|0.075070|0.146147|0.500000| |1.662069|3.104248|1.634250|1.509102|1.416187|1.422620|1.525494|1.643475|3.125221|1.962995|2.199172|0.057374|2.563508|4.153124|0.081170|3.859642|4.577314|3.738032|3.788495|4.760167|7.021335|6.707181|16.418526|17.570832|7.373749|3.893732|5.453246|2.584079|2.974517|0.084143|3.327500|2.833835|16.616159|3.624840|4.108987|2.417814|4.048382|1.307280|2.202915|0.048122|0.042296|0.046366|0.041174|0.037375|0.042003|0.056060|0.052766|0.072762|0.068505|0.098250|0.116006|0.086760|0.224171|0.300025|0.500000| |1.702404|3.158671|1.640534|1.502965|1.399244|1.402525|1.511914|1.645055|3.162076|1.966577|2.254330|0.059907|2.601569|4.353647|0.085678|3.835478|4.563587|3.720049|3.773377|4.754105|7.003404|6.693551|16.424794|17.565362|7.422971|3.601039|5.430532|2.571392|3.313024|0.092538|4.018314|3.490950|19.214835|4.163420|4.689122|2.686998|4.172375|1.286493|2.159053|0.049995|0.043380|0.047015|0.041079|0.036690|0.041577|0.055136|0.052681|0.071303|0.069873|0.092567|0.116173|0.086187|0.224061|0.300302|0.298219|0.500000| |2.095934|3.732356|1.930766|1.838794|1.682716|1.614462|1.674928|1.828410|3.308336|1.996623|2.168544|0.055265|2.295329|3.551785|0.077455|2.982576|3.824558|4.450251|6.212831|7.178929|5.182910|4.016463|8.462131|3.596315|16.419289|17.588381|11.890104|4.799535|2.336775|0.060838|2.524550|2.158255|13.348405|3.100706|3.105287|2.053417|4.353443|1.582247|2.617597|0.060479|0.052224|0.061757|0.052095|0.041891|0.044388|0.059080|0.051255|0.066475|0.057661|0.081478|0.075680|0.107671|0.094033|0.094152|0.096089|0.087532|0.500000| |1.836136|3.309081|1.724509|1.631654|1.510027|1.469947|1.536129|1.664550|3.052946|1.858818|2.033193|0.052341|2.206569|3.458559|0.073297|2.982869|3.823966|4.005466|5.149405|7.179629|6.267871|4.461310|12.103930|4.860840|16.417500|17.594556|8.386549|3.571014|2.337691|0.062015|2.573797|2.214607|13.445031|3.088753|3.172081|2.021894|3.973209|1.417643|2.365907|0.053107|0.046261|0.053066|0.045717|0.038399|0.041225|0.054365|0.048464|0.063526|0.056472|0.080048|0.078589|0.093907|0.107740|0.130740|0.127544|0.109894|0.298225|0.500000| |1.863183|3.279814|1.694606|1.616515|1.485076|1.428027|1.480456|1.610233|2.929030|1.748007|1.907662|0.049597|2.010157|3.122571|0.067502|2.564476|3.208252|3.527672|4.667054|5.913280|4.679983|3.530416|8.669192|3.690236|16.892583|17.657779|8.633042|3.678841|2.138491|0.055963|2.372811|2.090455|12.757465|2.991908|2.969825|1.902803|3.781653|1.404378|2.334005|0.054298|0.047072|0.054263|0.045889|0.037229|0.039433|0.050808|0.045289|0.057082|0.051374|0.068466|0.066974|0.085773|0.085754|0.102042|0.093911|0.089611|0.299656|0.299689|0.500000| |4.385873|7.610855|3.461907|3.087141|2.581021|2.395920|2.558289|3.046780|5.559861|3.246413|3.729334|0.092368|3.511966|5.434996|0.138096|3.842493|4.580941|6.736740|7.031257|4.758105|3.779496|3.733909|5.435115|2.573267|7.427327|3.581962|16.436086|17.560034|3.338175|0.079722|3.435274|2.836103|18.333299|4.349819|3.996353|3.097153|9.005663|2.293084|3.610885|0.135603|0.098186|0.130858|0.088595|0.059140|0.065024|0.095423|0.076951|0.097269|0.081817|0.103075|0.088688|0.225478|0.086567|0.064481|0.069050|0.070594|0.108746|0.087094|0.089278|0.500000| |3.718379|6.762716|3.332372|3.079235|2.649093|2.465591|2.588799|2.985257|5.285115|3.181672|3.443258|0.082861|3.381993|5.010720|0.119553|3.838980|4.563165|6.697665|7.013783|4.759834|3.787911|3.734054|5.454280|2.582645|7.390684|3.879746|16.430123|17.564495|2.977170|0.073896|2.964231|2.444326|15.989011|3.734256|3.611152|2.688051|7.752355|2.383277|3.782058|0.105352|0.085674|0.115110|0.087697|0.061404|0.065902|0.098612|0.076330|0.099800|0.079027|0.110055|0.088301|0.225251|0.086630|0.064743|0.071214|0.068914|0.126617|0.095476|0.093828|0.298394|0.500000| |3.627114|6.057393|2.935827|2.785769|2.385355|2.181035|2.250053|2.575583|4.530840|2.615513|2.838929|0.071451|2.731682|4.086850|0.096739|3.042454|3.621632|4.907542|5.897766|4.434791|3.416138|3.186678|5.132726|2.408629|7.668167|3.984674|17.021972|17.667391|2.593713|0.064349|2.688480|2.300781|14.906539|3.570278|3.333445|2.414362|6.283886|2.201242|3.491898|0.106475|0.085018|0.114550|0.082228|0.054704|0.057240|0.077936|0.063776|0.077603|0.065858|0.083816|0.072954|0.146615|0.075125|0.061725|0.064734|0.064460|0.128588|0.093332|0.101577|0.299982|0.299994|0.500000| |2.732993|5.189068|2.511386|2.162651|1.926993|1.924464|2.157780|2.504311|5.119484|3.180445|4.232913|0.116072|4.687924|9.713197|0.220579|5.914623|6.330034|5.704585|4.745958|4.364204|4.595801|5.474289|6.650841|3.442653|6.296027|2.857998|6.924328|3.630279|8.826515|0.173821|17.583717|8.814788|41.238993|8.353638|7.925716|6.749807|8.426655|1.700407|2.779726|0.084750|0.067495|0.071902|0.058466|0.048741|0.058467|0.084428|0.080917|0.111839|0.117232|0.125604|0.150580|0.145365|0.137790|0.082079|0.089507|0.106834|0.076684|0.076218|0.071700|0.114833|0.093624|0.086112|0.500000| |2.248754|4.303604|2.168047|1.900637|1.734547|1.755822|1.959825|2.209027|4.476375|2.849604|3.615214|0.098040|4.387389|8.883865|0.165631|6.659960|6.736101|5.023302|4.226867|4.267325|5.142989|6.867979|7.675970|4.295101|6.096752|2.831854|5.974874|3.037795|8.694361|0.215484|17.680978|8.776957|38.439147|7.246862|8.549596|5.608782|6.625815|1.545876|2.560365|0.067537|0.056478|0.059989|0.051094|0.045098|0.054000|0.076623|0.075277|0.108574|0.116898|0.134531|0.202710|0.121386|0.199942|0.098401|0.112678|0.142815|0.074590|0.078605|0.070488|0.090480|0.081034|0.073126|0.304091|0.500000| |2.271249|4.208266|2.082272|1.826514|1.652986|1.658357|1.842793|2.091985|4.242681|2.530605|3.168130|0.093207|3.342456|5.732132|0.118860|3.644325|3.669900|3.378242|3.099521|3.049909|3.240917|3.574940|5.228601|2.871022|4.810793|2.265350|4.878870|2.598304|5.720314|0.135933|8.681832|17.640753|57.165227|12.562265|9.852290|5.845426|5.872916|1.478539|2.440597|0.070244|0.058236|0.059149|0.049550|0.042521|0.050501|0.065794|0.066710|0.080594|0.090987|0.084575|0.102113|0.088994|0.098249|0.071749|0.073803|0.091512|0.059993|0.061072|0.058990|0.080151|0.067335|0.065211|0.227663|0.187632|0.500000| |1.994514|3.761936|1.912180|1.688159|1.553927|1.580148|1.759292|1.960956|3.982255|2.437895|2.999322|0.087175|3.367760|5.737002|0.109760|3.845877|3.686686|3.171447|2.861230|2.895159|3.255519|3.748429|5.374475|3.125064|4.519796|2.173613|4.405949|2.322837|6.066050|0.165894|8.648609|17.630720|57.765629|10.318857|12.909432|5.506035|5.289087|1.394013|2.322847|0.060106|0.051411|0.052403|0.045409|0.040888|0.048914|0.063674|0.065972|0.081961|0.095843|0.088470|0.116364|0.082291|0.110549|0.077332|0.081631|0.103276|0.057314|0.060103|0.056212|0.069673|0.061711|0.058191|0.177037|0.223671|0.300234|0.500000| |2.736340|5.625186|2.872699|2.377549|2.175204|2.291871|2.726423|3.159882|7.222278|4.598913|6.479761|0.235435|6.687897|8.743987|0.158850|4.384573|3.545050|3.263906|2.707917|2.464865|2.576470|3.046536|4.021166|2.224647|3.794554|1.894707|4.332679|2.498966|8.600201|0.215100|5.562725|5.325687|57.770273|11.001431|12.550696|17.652228|9.150265|1.860848|3.070616|0.080818|0.070309|0.068520|0.061284|0.058046|0.077467|0.106552|0.127150|0.135374|0.212986|0.109217|0.119914|0.095682|0.084475|0.055289|0.061630|0.066880|0.052570|0.051663|0.048534|0.077640|0.069326|0.061825|0.137050|0.123674|0.124708|0.124291|0.500000| |3.230511|6.474196|3.096885|2.538768|2.246566|2.290641|2.676410|3.214846|7.151134|4.311778|6.402409|0.217220|5.890332|9.269732|0.202152|4.498451|3.965790|3.844081|3.194988|2.836718|2.877841|3.332426|4.404406|2.361687|4.347891|2.116494|5.142926|2.987315|8.721109|0.173206|6.878887|6.318081|57.083647|12.351939|9.724756|17.595811|11.278123|1.923810|3.126974|0.100180|0.081047|0.079898|0.066722|0.057221|0.073198|0.103591|0.109105|0.124339|0.153279|0.108161|0.115437|0.113771|0.088517|0.058555|0.063987|0.070938|0.058648|0.056655|0.054228|0.096679|0.080366|0.073163|0.194425|0.138848|0.160344|0.132172|0.297826|0.500000| |6.402225|17.290925|6.688105|4.615247|3.679487|3.617053|4.394982|6.337723|14.030304|7.635947|9.761863|0.220913|5.961931|7.262563|0.182942|4.079802|3.764916|4.277855|3.510181|2.845069|2.677483|2.977860|4.018899|2.075314|4.394055|2.219490|6.129179|4.109195|4.271781|0.100152|3.634154|3.083508|23.089419|5.485661|4.999013|4.530708|35.308663|2.915673|4.507216|0.183434|0.139445|0.149641|0.116473|0.084195|0.109284|0.195171|0.149890|0.149613|0.130109|0.113506|0.095017|0.151151|0.075248|0.051953|0.057413|0.059040|0.064670|0.058283|0.056430|0.139257|0.118261|0.099062|0.111543|0.088561|0.083033|0.073877|0.122795|0.150027|0.500000| 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