Version2.1 2021-01-13T15:23:36Z 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 COc1ccc2c(c1)OC3(CC[NH+](CC3)C[C@@H](c4ccc5c(c4)OCCCO5)O)C[C@@H]2O C19563059 RHF 6-31G(d) (6D,7F) COc1ccc2c(c1)OC3(CC[NH+](CC3)C[C@@H](c4ccc5c(c4)OCCCO5)O)C[C@@H]2O C01[X(C25H32N1O6)] 186 C1 544 COc1ccc2c(c1)OC1(C[C@@H]2O)CC[NH+](CC1)C[C@@H](c1ccc2c(c1)OCCCO2)O COc1ccc2c(c1)OC1(C[C@@H]2O)CC[NH+](CC1)C[C@@H](c1ccc2c(c1)OCCCO2)O COc1ccc2[C@@H](O)CC3(CC[NH+](CC3)C[C@H](O)c4ccc5OCCCOc5c4)Oc2c1 InChIKey=WDRBPAHSIAGERI-SFTDATJTSA-O InChI=1S/C25H31NO6/c1-29-18-4-5-19-20(27)15-25(32-23(19)14-18)7-9-26(10-8-25)16-21(28)17-3-6-22-24(13-17)31-12-2-11-30-22/h3-6,13-14,20-21,27-28H,2,7-12,15-16H2,1H3/p+1/t20-,21-/m0/s1 InChI=1/C25H31NO6/c1-29-18-4-5-19-20(27)15-25(32-23(19)14-18)7-9-26(10-8-25)16-21(28)17-3-6-22-24(13-17)31-12-2-11-30-22/h3-6,13-14,20-21,27-28H,2,7-12,15-16H2,1H3/p+1/t20-,21-/m0/s1/fC25H32NO6/h26H/q+1 COc1ccc2c(c1)OC3(CC[NH+](CC3)C[C@@H](c4ccc5c(c4)OCCCO5)O)C[C@@H]2O C01[X(C25H32N1O6)] 186 C01 544 COc1ccc2c(c1)OC1(C[C@@H]2O)CC[NH+](CC1)C[C@@H](c1ccc2c(c1)OCCCO2)O CO[C]1[CH][CH][C]2[C]([CH]1)O[C@]1(C[C@@H]2O)CC[NH](CC1)C[C@@H]([C]1[CH][CH][C]2[C]([CH]1)OCCCO2)O CO[C]1[CH][CH][C]2[C]([CH]1)OC3(CC[NH](CC3)C[C@H](O)[C]4[CH][CH][C]5OCCCO[C]5[CH]4)C[C@@H]2O InChIKey=PJUQFRHJWLUYLM-SFTDATJTSA-N InChI=1S/C25H32NO6/c1-29-18-4-5-19-20(27)15-25(32-23(19)14-18)7-9-26(10-8-25)16-21(28)17-3-6-22-24(13-17)31-12-2-11-30-22/h3-6,13-14,20-21,26-28H,2,7-12,15-16H2,1H3/t20-,21-/m0/s1 InChI=1/C25H32NO6/c1-29-18-4-5-19-20(27)15-25(32-23(19)14-18)7-9-26(10-8-25)16-21(28)17-3-6-22-24(13-17)31-12-2-11-30-22/h3-6,13-14,20-21,26-28H,2,7-12,15-16H2,1H3/t20-,21-/m0/s1 3181.4828660038 -1468.7415364 1-A 26212.8288 118 426 544 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 12.6577 15.5400 28.2059 38.4678 43.9971 70.6066 77.7921 91.5791 102.8238 112.5040 118.5579 138.6909 164.1570 177.8936 210.3461 214.1667 232.5149 245.1427 249.7269 266.6534 276.1878 291.1963 299.0611 305.7849 324.4368 328.2515 353.7664 363.5603 364.9748 369.3780 382.7373 397.4047 416.2661 459.9010 469.1432 481.2195 487.4714 490.9042 504.9073 524.0415 528.4226 547.0858 560.0179 593.0350 595.6960 600.8144 624.3972 651.6823 674.3501 695.4661 714.2370 729.2117 736.4103 764.5711 804.2545 809.3403 818.1359 828.0748 839.9928 841.5510 869.3275 892.6801 907.7624 917.1173 951.6179 964.8361 965.6750 991.4213 998.6127 1006.2879 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1.00783 1.00783 1.00783 1.00783 1.00783 6480.5768 42397.7557 46563.3806 0.99999 0.00066 -0.00335 -0.00066 1.00000 0.00098 0.00335 -0.00098 0.99999 1 0.01337 0.00204 0.00186 0.27848 0.04257 0.03876 18.21 22.36 40.58 55.35 63.30 101.59 111.93 131.76 147.94 161.87 170.58 199.55 236.19 255.95 302.64 308.14 334.54 352.71 359.30 383.65 397.37 418.97 430.28 439.96 466.79 472.28 508.99 523.08 525.12 531.45 550.67 571.78 598.91 661.69 674.99 692.37 701.36 706.30 726.45 753.98 760.28 787.13 805.74 853.25 857.07 864.44 898.37 937.63 970.24 1000.62 1027.63 1049.17 1059.53 1100.05 1157.14 1164.46 1177.12 1191.41 1208.56 1210.80 1250.77 1284.37 1306.07 1319.53 1369.17 1388.18 1389.39 1426.43 1436.78 1447.82 1458.16 1461.99 1495.33 1509.52 1513.33 1538.72 1543.14 1556.22 1560.99 1571.48 1591.00 1628.74 1642.98 1665.84 1683.33 1685.71 1702.47 1712.03 1729.24 1735.21 1753.50 1763.49 1768.30 1807.87 1818.03 1831.80 1838.08 1858.60 1859.86 1872.27 1884.99 1890.92 1910.73 1924.57 1933.68 1961.26 1963.54 1964.72 2002.65 2010.56 2025.48 2029.65 2047.80 2058.74 2064.79 2093.99 2094.92 2107.89 2112.59 2129.26 2159.75 2165.88 2167.28 2193.19 2198.25 2207.88 2229.10 2245.43 2251.03 2256.67 2270.84 2277.29 2289.26 2312.42 2316.50 2319.30 2320.30 2333.74 2346.39 2347.08 2350.18 2354.28 2360.46 2375.69 2378.29 2384.90 2387.63 2388.25 2435.50 2441.21 2547.90 2552.91 2607.80 2629.96 4562.87 4617.45 4620.95 4632.32 4632.61 4632.82 4642.06 4647.05 4658.54 4707.12 4716.02 4720.99 4729.15 4730.79 4734.32 4735.51 4748.35 4764.63 4769.82 4809.22 4811.27 4821.44 4833.16 4841.62 4851.45 4855.43 4893.72 4897.96 4917.62 5281.46 5885.09 5934.42 0.590958 0.617781 0.618725 0.531441 -1468.150578 -1468.123756 -1468.122812 -1468.210095 2.927486D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE COc1ccc2c(c1)OC3(CC[NH+](CC3)C[C@@H](c4ccc5c(c4)OCCCO5)O)C[C@@H]2O C19563059 RHF 6-31G(d) (6D,10F) C1 442.222963 |X|Y|Z| 55.597103 149.331678 28.667465 61.972326 28 6 7 8 24 1 3 |36.858105| |13.555531|73.516695| |8.009341|25.296157|36.858105| |6.711883|13.999572|13.684775|36.858105| |4.516921|9.283301|7.970411|13.784919|36.858105| |3.768545|8.170095|6.780865|7.833738|13.730934|36.858105| |3.991533|9.452341|7.948585|6.893719|8.053435|13.695567|36.858105| |5.266526|14.666011|13.729834|7.932522|6.937630|7.861986|13.801510|36.858105| |3.211561|7.311985|5.278980|4.615695|5.229387|7.884199|13.944480|8.194894|73.516695| |2.662119|5.724233|3.979959|3.791890|4.533755|6.748788|7.935919|5.261787|23.958203|36.858105| |2.309000|4.883026|3.211511|3.004208|3.399729|4.503994|5.269434|4.104018|14.509324|12.460415|36.858105| |2.255502|4.795240|3.041254|2.747243|2.963988|3.721861|4.547545|3.896337|11.945397|7.519771|12.515738|36.858105| |2.173291|4.567391|2.877083|2.631634|2.836149|3.491783|4.117768|3.583499|9.883253|6.435301|7.649056|12.685736|53.358707| |1.985152|4.097063|2.578339|2.417406|2.639571|3.221066|3.617773|3.119175|8.322707|5.816118|7.110006|9.318772|25.655741|0.500000| |2.451712|5.215100|3.375753|3.098466|3.382373|4.251038|5.047173|4.260637|11.731991|7.517938|6.553489|7.686651|17.268321|0.257334|36.858105| |2.523445|5.334349|3.617931|3.487036|4.084874|5.559777|6.102709|4.541960|14.125088|12.392351|7.656999|6.527538|10.374509|0.196037|12.511159|36.858105| |2.037980|4.236370|2.572717|2.325719|2.426715|2.853721|3.341903|3.112895|7.415440|4.355849|4.953453|7.598781|17.290109|0.263032|7.679944|4.967851|36.858105| |1.776309|3.623150|2.175595|1.995569|2.083273|2.411802|2.743301|2.565773|5.943234|3.558562|4.279886|6.113289|10.357187|0.209141|4.989577|3.828483|12.454594|36.858105| |1.779996|3.640093|2.179174|1.987306|2.067838|2.396756|2.749497|2.582861|6.016971|3.543785|4.463498|6.554641|9.095598|0.177256|4.451894|3.588987|8.838268|17.560073|0.500000| |1.646693|3.313949|1.951171|1.791408|1.842333|2.079908|2.337425|2.246645|4.854822|2.824191|3.211442|4.194415|6.782471|0.136093|3.868363|3.054630|7.625608|12.587951|0.249012|36.858105| |1.551536|3.087102|1.815815|1.687828|1.739092|1.943007|2.141724|2.056461|4.348010|2.556900|2.806349|3.460346|5.766774|0.120313|3.544913|2.848512|5.891893|7.536521|0.156607|13.711293|36.858105| |1.448264|2.850892|1.655582|1.541253|1.572682|1.729564|1.893112|1.845703|3.761439|2.176153|2.346169|2.806905|4.468538|0.091795|2.888935|2.392033|4.277783|5.021743|0.117310|7.943234|13.785254|36.858105| |1.425541|2.800856|1.608527|1.486959|1.502699|1.641968|1.807917|1.787231|3.574032|2.029637|2.195588|2.629963|4.012354|0.080561|2.600814|2.177389|3.797007|4.428498|0.111187|6.830344|7.902765|13.733743|36.858105| |1.498059|2.966522|1.700048|1.555998|1.567440|1.721708|1.920666|1.907538|3.839263|2.155315|2.373747|2.912151|4.310761|0.084796|2.719688|2.264584|4.160220|5.020197|0.133428|7.885581|6.846185|7.936253|13.662148|36.858105| |1.611803|3.232549|1.873607|1.706280|1.731386|1.931472|2.181120|2.141624|4.469072|2.524222|2.856533|3.668058|5.446846|0.105933|3.246465|2.641166|5.608202|7.591465|0.204524|13.740011|7.958814|6.920481|7.938500|13.748839|36.858105| |1.460093|2.876389|1.629670|1.486424|1.484245|1.615787|1.802899|1.813948|3.564032|1.970937|2.159449|2.603778|3.714123|0.072420|2.390975|2.032264|3.419001|3.929489|0.110373|5.256089|4.612029|5.212349|7.906998|14.108638|8.131016|73.516695| |1.320828|2.575782|1.458121|1.342308|1.342684|1.452630|1.601059|1.605957|3.137048|1.747390|1.911658|2.244431|3.164490|0.062787|2.057690|1.791342|2.795050|3.222915|0.091201|4.090391|3.797710|4.383787|6.276694|8.002374|5.527087|23.905406|36.858105| |1.245567|2.409078|1.360240|1.260010|1.258786|1.351701|1.476380|1.482939|2.859085|1.596985|1.718684|1.984884|2.842956|0.056787|1.890731|1.655776|2.481272|2.780745|0.076348|3.500737|3.504421|4.305361|6.132599|6.134142|4.307629|13.867719|12.545000|36.858105| |1.232979|2.384268|1.355759|1.263458|1.270079|1.367144|1.484792|1.478679|2.879154|1.627404|1.745400|2.011748|2.949008|0.059653|1.964188|1.713335|2.589778|2.924902|0.077785|3.792577|4.094644|5.524122|8.003458|6.279334|4.385369|11.134766|7.500680|12.544577|36.858105| |1.331571|2.589543|1.475664|1.370062|1.377369|1.488089|1.624633|1.617914|3.161327|1.785752|1.904517|2.225078|3.343558|0.067218|2.231992|1.908093|3.026223|3.373489|0.086842|4.606873|5.262338|8.120513|14.128093|7.920515|5.218579|11.882853|6.267309|7.804044|13.450257|73.516695| |1.675825|3.385467|2.058241|1.929340|2.051514|2.386567|2.635558|2.401589|5.676090|3.601106|4.370370|5.631288|9.803177|0.250472|4.848224|3.964623|8.212741|13.539278|0.258609|7.781296|6.538376|4.467558|3.763872|3.961315|5.226588|5.680953|2.770080|2.464134|2.645808|5.313190|73.516695| |2.577539|5.365473|3.776071|3.888803|5.029695|7.657676|6.832342|4.584069|14.028479|12.500338|7.580033|4.913126|5.932927|0.118027|4.882141|7.455158|3.265757|2.837934|0.078979|2.338188|2.161565|1.877896|1.759148|1.850083|2.120227|3.041812|1.543668|1.422756|1.449250|2.793844|5.235996|36.858105| |2.908733|5.980738|4.402209|4.976329|7.489089|12.549237|7.517138|4.994377|11.631447|7.521129|4.913121|3.763166|4.844919|0.095251|4.234409|6.136988|2.824727|2.436907|0.066966|2.076870|1.954208|1.726506|1.621949|1.689621|1.901354|2.796631|1.423773|1.326285|1.351267|2.606878|4.435405|12.509260|36.858105| |2.739509|5.536444|3.967539|4.504299|6.455400|8.897543|6.084443|4.377912|9.757796|6.550586|4.423720|3.540444|4.826844|0.096510|4.377205|6.529641|2.828159|2.425722|0.065468|2.081849|1.989129|1.756661|1.634626|1.684405|1.886196|2.769827|1.410649|1.322973|1.358020|2.631281|4.470285|8.870679|17.499063|0.500000| |2.690256|5.317495|3.770105|4.426824|6.410978|7.803958|5.278605|3.996279|8.317360|5.151771|3.951975|3.093041|3.933253|0.078752|3.255865|4.310914|2.374174|2.115717|0.058690|1.830433|1.729960|1.545990|1.461414|1.520152|1.694186|2.536950|1.305493|1.219411|1.239014|2.368115|3.872128|8.164746|13.598317|0.260275|73.516695| |17.574888|16.421846|7.012040|6.708779|4.568002|3.708186|3.786432|4.753453|5.417564|2.585396|2.219248|2.164230|2.893580|0.054265|2.433087|2.514996|1.994064|1.733194|0.047798|1.612952|1.534749|1.435026|1.404514|1.463420|1.568272|2.523477|1.285692|1.219995|1.214728|2.338487|2.926497|2.517468|2.895962|0.077539|4.749804|0.500000| |17.662256|16.988457|5.891241|4.899709|3.622746|3.171118|3.421263|4.430846|5.118187|2.408466|2.138981|2.126487|2.793235|0.052053|2.280154|2.297654|1.959174|1.719655|0.047982|1.611329|1.517572|1.427261|1.415567|1.490555|1.592761|2.602836|1.325675|1.251826|1.232711|2.362094|2.863043|2.304812|2.533923|0.066712|4.183989|0.300024|0.500000| |17.578742|16.426784|7.053463|6.720518|4.584761|3.728042|3.810783|4.785911|5.454079|2.576268|2.245904|2.157028|2.794644|0.052540|2.288131|2.397210|1.910283|1.684832|0.047149|1.556592|1.465515|1.367489|1.346235|1.415614|1.524029|2.456701|1.257706|1.184712|1.171858|2.237303|2.847304|2.562286|2.909412|0.075060|4.928247|0.298578|0.299979|0.500000| |7.409679|12.450658|8.840321|17.777802|8.962417|5.619956|4.967883|5.631055|6.514396|3.138746|2.573603|2.380109|3.131435|0.059339|2.665845|2.950372|2.069583|1.800183|0.049751|1.636760|1.553433|1.431537|1.385182|1.442987|1.567166|2.462529|1.258474|1.187787|1.190235|2.286080|3.102254|3.255017|4.079998|0.105920|6.836829|0.223226|0.145195|0.221890|0.500000| |3.922476|7.489934|5.678414|9.022576|17.709935|8.939526|5.692011|4.985092|7.469012|3.912973|3.028865|2.630858|3.463280|0.067067|2.989137|3.621415|2.193323|1.912938|0.052606|1.703559|1.622666|1.474422|1.405917|1.457201|1.599336|2.454152|1.257638|1.184775|1.198702|2.302393|3.390131|4.559123|6.944887|0.176941|12.289746|0.113139|0.089231|0.113438|0.219251|0.500000| |4.860181|13.464679|8.931101|5.647302|4.988380|5.616614|8.926847|17.753327|13.372606|4.852092|4.083777|4.138916|5.105633|0.088639|4.308823|4.250255|3.360231|2.746388|0.077529|2.412382|2.176149|1.954306|1.910770|2.064516|2.329573|3.508709|1.730565|1.586455|1.570574|3.062712|4.449478|4.017998|4.081152|0.101767|5.967097|0.119279|0.121323|0.120192|0.123830|0.108118|0.500000| |2.070073|4.277681|2.780536|2.672769|3.049414|3.918667|4.255178|3.395943|10.302967|8.846815|17.534163|8.852253|9.327921|0.207385|5.728660|6.874310|4.584298|4.210217|0.119959|3.157974|2.810105|2.337793|2.161222|2.307651|2.761805|3.704669|1.865715|1.685570|1.727115|3.335594|8.267344|6.974566|4.550107|0.118149|6.770491|0.055809|0.053446|0.056233|0.064777|0.077742|0.092714|0.500000| |2.320372|4.899500|3.201606|2.983033|3.340431|4.343722|5.081164|4.062836|13.213417|8.869681|17.592639|8.981974|7.603494|0.144674|4.911484|5.549348|4.123413|3.737363|0.112521|2.902618|2.524700|2.152693|2.050761|2.238338|2.668176|3.686806|1.851117|1.656352|1.663420|3.190122|6.630724|6.947419|4.623204|0.110894|6.985214|0.061111|0.059840|0.063481|0.071221|0.082714|0.113063|0.302647|0.500000| |2.031562|4.242002|2.633030|2.400380|2.564726|3.119361|3.671984|3.255520|8.853635|5.490317|8.837142|17.661106|12.371156|0.225888|5.615340|4.906412|7.082456|6.988107|0.237540|4.574471|3.631915|2.925662|2.764666|3.119147|4.032350|4.946550|2.407687|2.094707|2.114704|4.116719|11.364314|4.084998|3.192100|0.083808|4.860154|0.054071|0.053754|0.054321|0.058755|0.064312|0.096404|0.215443|0.213562|0.500000| |2.480945|5.395196|3.390306|2.949704|3.095661|3.849135|5.004362|4.499914|13.342721|6.789417|8.816742|17.647169|12.415184|0.181892|7.009893|5.761349|7.008202|5.401843|0.163674|3.990135|3.271056|2.719837|2.607080|2.930127|3.659208|4.748070|2.276571|2.005297|2.004902|3.947520|8.195085|4.529231|3.656539|0.094177|5.344230|0.065303|0.065253|0.065331|0.070429|0.074876|0.140382|0.173312|0.215381|0.300379|0.500000| |2.284408|4.751104|3.013330|2.815935|3.045132|3.660292|4.116804|3.619658|8.696176|5.478694|4.918957|5.618867|12.399699|0.224491|17.629211|8.811293|7.222100|4.830769|0.114135|3.943510|3.810695|3.093997|2.713129|2.758383|3.231704|4.251749|2.061366|1.921395|2.027006|4.146326|8.588005|4.047611|3.690250|0.110063|5.197287|0.063883|0.059400|0.059027|0.068693|0.076426|0.101103|0.128778|0.108182|0.126878|0.143706|0.500000| |2.752304|6.021123|3.877870|3.402247|3.586091|4.446864|5.695666|5.092187|13.012899|6.774219|5.768274|7.005134|12.420566|0.181392|17.641892|8.811524|7.082792|4.575096|0.117100|3.706382|3.346122|2.797509|2.580233|2.734018|3.238321|4.340432|2.081270|1.908195|1.958336|3.962536|7.372524|4.498353|4.085353|0.114168|5.606770|0.075345|0.071211|0.070167|0.080368|0.085788|0.149209|0.132878|0.129286|0.143559|0.210685|0.300918|0.500000| |2.736175|5.769294|3.999941|3.961237|4.745257|6.418197|6.561623|4.877424|12.677254|8.769765|5.536194|4.900187|7.602953|0.144048|9.018522|17.590655|4.151870|3.252398|0.084664|2.716064|2.584479|2.219518|2.029785|2.090874|2.387545|3.365515|1.676174|1.565206|1.619276|3.205599|5.898639|6.727705|6.791537|0.221937|8.127081|0.077136|0.068257|0.071663|0.092291|0.116245|0.121220|0.140108|0.123735|0.108017|0.129284|0.214018|0.216268|0.500000| |2.229621|4.589088|3.047749|3.017423|3.547618|4.601483|4.684410|3.645760|10.150716|8.811071|6.855923|5.691964|9.270679|0.204828|8.843745|17.528803|4.587226|3.753139|0.096574|2.997460|2.851297|2.383306|2.141128|2.200144|2.553973|3.487852|1.746859|1.622146|1.693321|3.339546|7.362108|6.875427|5.540234|0.171896|7.376563|0.062060|0.056773|0.059440|0.072755|0.091056|0.095307|0.201940|0.140187|0.128104|0.132457|0.214991|0.173204|0.303317|0.500000| |2.182276|4.593495|2.748510|2.423109|2.476079|2.885855|3.481254|3.364857|7.674302|4.179965|4.637579|7.122981|12.303565|0.182778|6.761780|4.528715|17.633830|8.752644|0.216050|6.683516|5.076154|3.981471|3.742325|4.264560|5.709927|6.439106|2.891584|2.538917|2.586409|5.366448|10.345331|3.136574|2.760371|0.075663|4.132755|0.058794|0.058710|0.056366|0.059750|0.061463|0.104627|0.113760|0.111959|0.180853|0.216877|0.168862|0.204028|0.108935|0.111384|0.500000| |1.992224|4.098040|2.478698|2.264463|2.359115|2.733146|3.129320|2.935243|6.652163|3.928209|4.167121|5.603961|12.438513|0.220897|7.480734|4.783498|17.644158|8.892443|0.174414|7.198054|6.559716|4.693642|3.955903|4.081635|5.146960|5.869490|2.715379|2.479091|2.647408|5.632254|12.757458|3.037579|2.710567|0.077151|4.053052|0.054812|0.053222|0.051605|0.056388|0.059685|0.086686|0.110177|0.097045|0.143254|0.146197|0.235491|0.187833|0.115718|0.125307|0.300845|0.500000| |1.550323|3.079623|1.828752|1.716622|1.786329|2.003743|2.184059|2.068159|4.430785|2.664028|2.893447|3.489738|6.056709|0.132134|3.782020|3.050883|5.841283|6.948271|0.141457|8.878183|17.720013|8.947473|5.638282|4.938371|5.646372|6.505954|3.139646|2.963617|3.448950|7.571093|12.754763|2.259072|2.041885|0.058390|3.201750|0.042839|0.041858|0.040731|0.043850|0.046499|0.060016|0.081927|0.071146|0.099942|0.089424|0.116925|0.095850|0.076714|0.086725|0.131993|0.193246|0.500000| |1.380719|2.697029|1.565354|1.468897|1.500234|1.638479|1.773189|1.727651|3.480472|2.022166|2.147249|2.504761|3.987062|0.082825|2.657975|2.240370|3.644512|4.081442|0.096768|5.638139|8.891037|17.739807|9.006349|5.665630|4.978668|7.495983|3.768178|3.930973|5.260680|13.346851|6.857549|1.768179|1.641871|0.046728|2.625800|0.038212|0.037785|0.036241|0.038091|0.039304|0.050383|0.059844|0.054758|0.071647|0.067246|0.080239|0.071171|0.058432|0.062548|0.093985|0.113312|0.214599|0.500000| |1.662641|3.351943|1.937520|1.750771|1.770128|1.979343|2.258175|2.229619|4.661620|2.594695|2.987234|3.890085|5.428050|0.103370|3.201206|2.636850|5.355849|6.984866|0.222662|8.850944|5.635675|4.976596|5.671270|9.034163|17.709732|13.429001|5.281701|3.941887|3.775409|7.512196|8.534685|2.173685|1.935820|0.052724|3.073684|0.044565|0.045733|0.043774|0.044552|0.045218|0.068099|0.079032|0.078995|0.121716|0.110443|0.085818|0.090104|0.065932|0.070045|0.160657|0.128452|0.123593|0.107965|0.500000| |1.284932|2.506537|1.428753|1.321871|1.331081|1.446254|1.587640|1.577423|3.128702|1.761877|1.949736|2.282589|3.203434|0.064394|2.054565|1.800682|2.803994|3.347237|0.095717|4.223424|3.897432|4.393703|5.938967|7.377048|5.580986|16.510847|17.528763|8.811540|6.831484|9.943655|5.206590|1.561483|1.429762|0.039331|2.336735|0.034744|0.035666|0.034128|0.034383|0.034713|0.046970|0.053364|0.052487|0.069020|0.063414|0.057045|0.057036|0.046499|0.049172|0.078969|0.075027|0.089876|0.104666|0.148172|0.500000| |1.312547|2.554020|1.437267|1.319728|1.313809|1.415713|1.562356|1.577708|3.046943|1.682625|1.838194|2.142844|2.964993|0.058454|1.941274|1.705330|2.571916|2.906183|0.083917|3.511478|3.205667|3.555724|4.716533|5.923405|4.632989|17.013553|17.639188|8.866855|5.491639|8.426942|4.455376|1.493591|1.380905|0.037821|2.260464|0.035348|0.036748|0.034776|0.034440|0.034166|0.047380|0.049563|0.049955|0.063766|0.060992|0.053532|0.054969|0.044462|0.045980|0.074950|0.068707|0.075520|0.086745|0.131803|0.301351|0.500000| |1.168852|2.249005|1.268988|1.180663|1.180123|1.262898|1.371541|1.376333|2.644457|1.480041|1.592193|1.815489|2.574821|0.051718|1.719535|1.525646|2.201596|2.462001|0.068223|2.996538|2.999358|3.571453|4.672114|4.672796|3.572702|10.097353|8.946880|17.520601|8.945185|10.099025|3.957429|1.330827|1.242592|0.034394|2.044012|0.031795|0.032652|0.031001|0.031016|0.030964|0.040731|0.043551|0.042870|0.053306|0.050803|0.048396|0.048071|0.040144|0.041672|0.062263|0.060865|0.072303|0.093078|0.093303|0.212113|0.216630|0.500000| |1.270485|2.452467|1.375520|1.269951|1.261002|1.347461|1.474556|1.493514|2.836489|1.570492|1.673258|1.929272|2.765805|0.054743|1.865182|1.630397|2.411513|2.624554|0.071812|3.254870|3.257552|3.961543|5.490556|5.492504|3.964512|12.666273|8.912368|17.565510|8.911664|12.668897|4.108096|1.398506|1.312746|0.036384|2.143490|0.034584|0.035624|0.033455|0.033323|0.032926|0.044520|0.045277|0.044819|0.055920|0.054692|0.052712|0.052809|0.043098|0.044092|0.069519|0.067347|0.077316|0.101829|0.102116|0.173587|0.213988|0.301739|0.500000| |1.201877|2.325256|1.329978|1.244710|1.258668|1.359959|1.471633|1.453753|2.867299|1.636416|1.770579|2.034155|2.975484|0.060946|1.959256|1.719634|2.592258|3.009847|0.080249|3.890275|4.227526|5.579601|7.376573|5.937511|4.392131|9.933875|6.828713|8.809981|17.531061|16.512423|4.941147|1.461816|1.354730|0.037818|2.213535|0.032881|0.033254|0.031847|0.032534|0.033069|0.042712|0.049099|0.046865|0.060004|0.055662|0.056073|0.053675|0.044886|0.047588|0.070704|0.073116|0.099598|0.147672|0.104789|0.203684|0.140420|0.212091|0.173569|0.500000| |1.176193|2.260508|1.282313|1.200046|1.204617|1.289048|1.391381|1.388167|2.675175|1.511866|1.605600|1.827054|2.680215|0.054337|1.813473|1.595795|2.314515|2.555674|0.067750|3.202411|3.514538|4.631632|5.926190|4.719157|3.557372|8.424323|5.491670|8.866406|17.642333|17.017226|4.186801|1.356669|1.274217|0.035676|2.084504|0.032292|0.032707|0.031063|0.031536|0.031693|0.040776|0.044206|0.042541|0.052890|0.050595|0.052240|0.050244|0.042208|0.043900|0.064122|0.066347|0.085326|0.131313|0.086891|0.140444|0.123672|0.216510|0.214010|0.301427|0.500000| |1.550906|3.103770|1.873119|1.765351|1.870719|2.149377|2.345613|2.156182|4.953675|3.109521|3.740541|4.571319|7.252097|0.176247|3.907781|3.344251|6.001253|9.743856|0.221650|7.371114|6.487981|4.576539|3.861327|4.025450|5.182884|5.761340|2.875676|2.553057|2.765780|5.455855|35.662235|2.632942|2.252267|0.062949|3.559010|0.042310|0.041564|0.041344|0.044698|0.048669|0.062297|0.111835|0.091899|0.147262|0.107508|0.108889|0.095537|0.079616|0.097711|0.130512|0.152364|0.193237|0.110091|0.130806|0.086434|0.071686|0.064472|0.065472|0.082506|0.068046|0.500000| |2.564478|5.322224|3.702322|3.777604|4.741733|6.752443|6.301750|4.456579|12.715541|8.932372|7.097314|4.633507|5.269001|0.104090|4.085803|5.482544|3.003333|2.677634|0.076261|2.220470|2.032860|1.779938|1.686793|1.789168|2.047364|2.971924|1.515360|1.390028|1.404873|2.687182|4.879832|17.564988|8.997039|0.175851|13.880969|0.068400|0.063930|0.071965|0.088550|0.119690|0.109995|0.177440|0.214839|0.110930|0.121733|0.095067|0.108351|0.138549|0.141387|0.081520|0.076493|0.058307|0.046416|0.059018|0.042643|0.040989|0.036250|0.037931|0.039393|0.036502|0.069102|0.500000| |2.263457|4.602468|3.134288|3.257387|4.097643|5.565635|4.976998|3.661228|10.102859|8.818444|6.829186|4.533905|5.697014|0.119745|4.530012|6.800516|3.148393|2.807956|0.077499|2.312487|2.161795|1.872834|1.739641|1.814901|2.075266|2.967363|1.515766|1.401637|1.437154|2.763684|5.362348|17.570970|8.859175|0.220275|12.726063|0.061986|0.056850|0.062562|0.078281|0.108518|0.091739|0.206319|0.168664|0.108918|0.111186|0.108600|0.110988|0.166533|0.205361|0.081857|0.082213|0.063488|0.049237|0.058601|0.042849|0.040573|0.036508|0.038090|0.040502|0.037419|0.075464|0.302451|0.500000| 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