Version2.1 2021-01-12T14:37:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 23-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]5([C@H]31)[C@]6(C[C@@H]([C@H]7C[C@@]4([C@@H]6[C@H]7O)O)OC)OCO5)O)OC)C C08214990 RHF 6-31G(d) (6D,7F) CC[NH+]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]5([C@H]31)[C@]6(C[C@@H]([C@H]7C[C@@]4([C@@H]6[C@H]7O)O)OC)OCO5)O)OC)C C01[X(C24H38N1O7)] 204 C1 556 CO[C@H]1C[C@@]23OCO[C@]43[C@@H](O)[C@H]3[C@@]5([C@@]6(C[C@H]1[C@@H]([C@H]26)O)O)[C@@H]4[NH+](CC)C[C@]3(C)CC[C@@H]5OC CO[C@H]1C[C@@]23OCO[C@]43[C@@H](O)[C@H]3[C@@]5([C@@]6(C[C@H]1[C@@H]([C@H]26)O)O)[C@@H]4[NH+](CC)C[C@]3(C)CC[C@@H]5OC CC[NH+]1C[C@]2(C)CC[C@H](OC)[C@]34[C@@H]2[C@H](O)[C@@]5(OCO[C@@]56C[C@H](OC)[C@H]7C[C@]3(O)[C@@H]6[C@H]7O)[C@@H]14 InChIKey=IHIZUKZPJAEJDO-LRGMBMJUSA-O 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8168.0957 13376.8681 14235.7408 0.99993 -0.00932 -0.00692 0.00936 0.99994 0.00481 0.00688 -0.00487 0.99996 1 0.01060 0.00647 0.00608 0.22095 0.13492 0.12678 44.04 99.27 111.79 139.16 153.09 163.40 175.45 184.34 207.19 226.60 238.05 250.80 264.71 283.42 302.73 310.50 324.75 345.54 359.37 369.13 375.31 378.51 379.68 388.38 409.16 414.70 424.63 435.12 443.93 463.00 477.44 507.26 520.17 521.67 554.07 585.91 587.20 611.25 650.59 654.84 671.90 685.23 712.65 742.48 770.53 807.47 820.87 858.44 860.67 883.62 925.05 957.70 967.13 1030.01 1074.00 1104.14 1141.91 1166.08 1186.58 1224.96 1252.70 1263.74 1273.34 1330.17 1346.31 1354.13 1372.17 1395.62 1418.24 1437.48 1459.80 1479.41 1482.52 1518.58 1528.53 1536.73 1550.74 1563.73 1585.64 1599.52 1611.09 1625.07 1630.78 1642.92 1651.74 1657.21 1677.42 1681.88 1701.36 1715.57 1742.97 1752.15 1763.07 1781.70 1791.55 1802.22 1809.53 1818.89 1821.15 1834.57 1837.76 1843.29 1859.04 1864.63 1866.80 1869.06 1877.34 1886.31 1898.05 1915.29 1932.84 1938.40 1946.16 1951.42 1970.02 1987.15 1996.67 2019.38 2028.52 2031.99 2038.15 2055.55 2063.98 2085.13 2097.47 2109.26 2114.04 2118.60 2136.67 2143.45 2159.22 2175.96 2177.54 2190.78 2209.49 2212.36 2217.42 2222.48 2237.62 2239.11 2242.81 2251.33 2267.06 2270.60 2274.92 2279.28 2322.69 2325.71 2337.23 2349.63 2351.47 2356.58 2361.81 2363.87 2366.09 2370.38 2373.39 2376.71 2379.00 2382.67 2386.48 2389.61 2393.67 2397.50 2409.56 2464.00 4547.05 4564.96 4596.25 4597.18 4621.91 4630.47 4631.07 4633.10 4661.12 4668.06 4678.33 4680.62 4691.68 4693.70 4702.08 4704.31 4717.87 4727.09 4727.51 4731.81 4734.35 4740.48 4743.55 4763.79 4773.61 4778.06 4784.89 4787.56 4794.28 4810.79 4811.55 4844.55 4850.09 4858.89 5295.01 5890.20 5902.64 5909.32 0.668257 0.695789 0.696734 0.614644 -1508.487151 -1508.459618 -1508.458674 -1508.540764 2.753312D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2021 DUDE CC[NH+]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]5([C@H]31)[C@]6(C[C@@H]([C@H]7C[C@@]4([C@@H]6[C@H]7O)O)OC)OCO5)O)OC)C C08214 RHF 6-31G(d) (6D,10F) C1 452.264828 |X|Y|Z| 74.688899 51.824205 47.356486 56.805369 22 6 7 8 19 1 2 |36.858105| |12.521241|36.858105| |7.554967|12.627624|53.358707| |7.246273|9.395037|25.693852|0.500000| |6.275188|7.598885|17.086575|0.256657|36.858105| |4.181004|4.880531|9.982300|0.179493|12.277650|36.858105| |3.682538|3.989366|7.666974|0.162292|7.412617|12.425434|36.858105| |3.877155|4.200967|8.230102|0.202172|6.325393|7.507961|12.552174|36.858105| |3.750346|4.420852|8.896875|0.215284|5.667615|6.427082|7.373902|12.345991|36.858105| |3.097113|3.559170|6.538791|0.150109|4.378865|5.153232|6.114967|8.882150|17.634517|0.500000| |3.827488|4.957646|10.463736|0.204035|6.436082|7.507287|6.411210|7.152516|12.146884|0.246863|36.858105| |3.640989|4.560112|9.162005|0.161813|7.582635|12.381153|7.656767|6.295504|7.172289|0.166679|12.216246|36.858105| |3.034112|3.624621|6.673988|0.125116|5.514374|8.839132|7.033366|5.605181|6.182656|0.162122|8.662799|17.649240|0.500000| |3.636316|4.784165|8.474083|0.137774|6.564642|7.524642|4.924568|4.314542|4.895818|0.118409|7.769428|12.324568|0.242855|36.858105| |3.951442|5.127920|8.550394|0.134453|7.471049|7.627884|4.751642|4.022043|4.238656|0.101580|5.918592|8.767502|0.184272|17.623357|0.500000| |4.071803|5.932731|9.961770|0.156898|5.937247|5.585413|4.138752|4.072193|4.995633|0.118305|8.084311|7.754651|0.161314|12.288670|0.252612|36.858105| |4.943248|7.588168|17.072978|0.266476|7.366913|6.405648|5.008570|5.463756|7.366996|0.154765|12.372244|8.116666|0.159790|7.924672|0.184203|12.472702|36.858105| |4.845860|7.275440|12.588875|0.239788|5.549078|4.801056|4.131630|4.777515|6.565532|0.144849|8.622102|5.684834|0.124753|5.634371|0.137020|8.720362|17.733021|0.500000| |3.202762|4.293202|6.652517|0.118299|4.074468|4.073896|3.351093|3.414989|4.339681|0.111027|6.452470|5.595007|0.134944|7.274742|0.155255|12.336298|7.633510|0.199343|36.858105| |3.172467|4.197143|5.981173|0.111681|3.479391|3.305755|2.868924|3.060954|3.881590|0.100065|5.046194|4.106311|0.100710|4.746541|0.113197|7.293560|6.318968|0.206078|12.181016|36.858105| |2.812009|3.513894|5.125117|0.102218|3.024664|2.950158|2.708395|3.003055|3.912807|0.105676|4.647409|3.598259|0.091548|3.769056|0.090431|5.037007|5.131117|0.174537|7.078323|12.278562|36.858105| |3.026596|3.749887|5.401001|0.111534|3.088769|2.941079|2.752390|3.150929|4.128125|0.109717|4.600192|3.462788|0.086931|3.502779|0.085914|4.635147|5.215439|0.192273|5.662793|8.735603|17.499401|0.500000| |2.552170|3.111358|4.808402|0.097457|2.964221|3.060014|2.884325|3.209477|4.327577|0.125052|5.102259|3.870608|0.102851|3.830547|0.089107|4.677481|4.820750|0.149659|6.471182|7.382250|12.452285|0.247274|36.858105| |2.282041|2.698749|4.080986|0.084071|2.566704|2.647226|2.557770|2.855829|3.712273|0.109994|4.073307|3.223221|0.087332|3.154658|0.075428|3.697174|3.840332|0.118720|4.774708|5.509722|8.989838|0.207496|17.589283|0.500000| |2.817560|3.431873|5.694166|0.119706|3.477603|3.697535|3.603971|4.226643|6.408661|0.195253|7.235001|4.776990|0.126120|4.252717|0.097300|4.985695|5.844112|0.176515|5.913425|5.830994|7.494494|0.199701|12.433191|0.243064|36.858105| |3.003144|3.755689|6.664838|0.132162|4.249809|4.863632|4.459904|4.871199|7.466862|0.213477|12.069438|7.411808|0.195841|6.178656|0.129121|6.725477|7.416118|0.185665|7.499606|5.737354|5.760059|0.145540|7.661052|0.156073|12.199628|36.858105| |2.773040|3.507446|5.731371|0.107712|3.719101|4.074124|3.524531|3.605131|4.758323|0.130877|7.094389|5.982805|0.159967|6.523079|0.133742|7.584109|6.233141|0.159711|12.448820|7.344303|6.437474|0.143202|8.044907|0.157924|7.768744|12.154549|36.858105| |2.581342|3.195678|5.188098|0.096476|3.589613|4.098787|3.491855|3.394634|4.219254|0.117144|6.071124|6.101877|0.176859|6.975257|0.140849|6.681021|5.208756|0.127853|8.929830|5.495910|4.775090|0.111065|5.701061|0.124910|5.669321|8.674313|17.709343|0.500000| |2.384697|2.907890|4.516725|0.088362|2.923534|3.122998|2.862354|3.015879|3.900729|0.112756|4.930589|4.121006|0.113856|4.282242|0.096732|4.943817|4.505776|0.127343|7.528159|6.744556|7.592564|0.155018|12.481242|0.241680|7.978675|7.859170|12.429219|0.242123|36.858105| |2.172701|2.583798|4.042597|0.080258|2.699576|2.964488|2.795494|2.928380|3.720812|0.112311|4.467655|3.861909|0.111966|3.831236|0.087636|4.098453|3.854928|0.106714|5.495771|4.881353|5.530909|0.124520|8.875627|0.215080|7.112205|7.053961|8.837242|0.214591|17.469568|0.500000| |2.198276|2.656393|3.943399|0.076154|2.584659|2.696067|2.441697|2.521487|3.099656|0.087541|3.819485|3.412160|0.093727|3.763021|0.088336|4.353803|3.757760|0.106802|6.661324|6.471636|6.627247|0.134120|7.694147|0.182310|5.179483|5.165825|7.897306|0.189661|13.709022|0.260679|73.516695| |2.606851|3.098473|5.395560|0.109045|3.773937|4.678926|4.620312|4.815594|6.614860|0.220914|8.169268|6.826498|0.223153|5.224622|0.113732|4.862168|5.139683|0.127624|5.119646|4.084641|4.177315|0.107739|5.535982|0.128514|7.807681|13.495766|7.803836|0.208498|6.145593|0.185000|7.728379|73.516695| |2.398897|2.886002|4.057552|0.081044|2.492323|2.436326|2.260862|2.463037|3.050992|0.083923|3.478540|2.883314|0.075231|3.055450|0.075407|3.844194|3.760195|0.121178|5.163610|7.846757|13.558013|0.261065|8.128865|0.222060|5.151555|4.188074|4.818623|0.108617|6.162049|0.134520|11.641318|5.955411|73.516695| |2.386199|2.823283|3.793191|0.075955|2.324633|2.214382|2.056747|2.237548|2.687189|0.072683|2.985654|2.531279|0.065467|2.699603|0.068688|3.382438|3.345798|0.108840|4.191489|6.244036|7.991823|0.208726|5.238157|0.145036|3.947010|3.350047|3.714527|0.087455|4.287147|0.099349|8.171147|4.893839|24.198157|36.858105| |2.879226|3.724980|5.406477|0.095586|3.551437|3.538067|2.890682|2.836486|3.366225|0.087402|4.601301|4.564531|0.114942|6.445916|0.150543|8.548499|5.290016|0.136942|13.524916|8.007251|5.145655|0.117793|4.695095|0.105540|4.183174|5.050889|7.732590|0.208077|5.776063|0.126849|11.024146|7.139174|7.790434|3.761731|73.516695| |3.242556|4.281875|5.790669|0.098978|3.815775|3.567478|2.843624|2.758048|3.152023|0.079660|4.172889|4.281420|0.104037|6.257829|0.166754|8.478236|5.228389|0.134243|8.427257|6.516205|4.279445|0.105133|3.738788|0.087007|3.497454|4.106366|5.281745|0.142771|4.163488|0.096387|7.720437|5.958057|6.604846|3.434142|24.389306|36.858105| |4.240987|6.234916|8.358503|0.132180|5.160412|4.454730|3.393286|3.307656|3.786761|0.091495|5.178232|5.243403|0.117928|7.857022|0.219742|13.664004|7.585203|0.181986|8.381740|6.540875|4.367020|0.113239|3.797500|0.087308|3.800357|4.552843|5.255867|0.135881|3.966770|0.092712|6.781165|6.393703|6.356347|3.330393|14.984924|13.382607|73.516695| |2.892202|3.596191|5.836064|0.101762|4.503416|5.273995|3.934865|3.462916|3.886868|0.100704|5.556463|7.685239|0.208727|13.677575|0.263856|7.704387|5.272774|0.118231|6.638354|4.308050|3.490565|0.087225|3.657745|0.085071|3.842512|5.434537|6.631599|0.239234|4.442737|0.113210|7.230347|8.924269|5.242701|2.575937|12.390960|6.074212|10.770469|73.516695| |4.141765|4.845250|9.006261|0.247573|4.990012|4.818274|5.169392|7.962441|13.433107|0.258292|7.941989|5.094681|0.121499|4.077362|0.101787|4.602963|7.114770|0.213852|4.119679|4.062856|4.258630|0.134851|4.405894|0.106837|6.274690|5.927389|4.208151|0.100379|3.671829|0.094704|5.313914|8.645685|5.834956|2.959350|5.674581|3.051416|6.566894|5.849957|73.516695| |3.459978|3.742622|6.215211|0.160536|3.788114|3.728704|4.230926|6.323423|7.947990|0.207923|5.173143|3.814042|0.096745|3.153739|0.080433|3.447960|4.674036|0.141345|3.241491|3.297805|3.622542|0.115999|3.807114|0.098340|5.144071|4.489337|3.378877|0.082551|3.146954|0.083713|4.648587|7.166721|5.241433|2.705265|4.666835|2.508899|5.184661|4.764236|24.050425|36.858105| |3.521847|3.888509|6.732063|0.121974|7.639374|12.385113|7.698947|4.947016|4.282018|0.104462|4.857341|7.462490|0.190927|6.215514|0.198195|4.414190|4.445524|0.099274|3.400885|2.778459|2.470285|0.067485|2.551881|0.062550|2.934894|3.726792|3.390822|0.099337|2.680691|0.071742|4.262104|6.677704|3.753676|1.940191|5.646057|3.264716|6.857641|8.979779|6.169897|2.881896|36.858105| |17.545637|8.769040|9.413589|0.216776|5.673097|4.016417|3.778353|4.207525|3.983600|0.090989|3.801298|3.487687|0.081872|3.319232|0.096932|3.680989|4.672844|0.131154|2.995241|3.007388|2.770656|0.084463|2.547217|0.063873|2.867685|2.983043|2.674148|0.068657|2.335531|0.059626|3.782119|4.643671|4.195733|2.342690|4.701209|2.878758|6.490901|4.754080|8.186586|3.951579|3.313091|0.500000| |17.585828|8.957533|7.548339|0.147862|4.716537|3.416411|3.047014|3.195138|3.157119|0.074612|3.247555|3.088953|0.073170|3.173654|0.095406|3.600104|4.137814|0.116804|2.947610|3.006489|2.667567|0.079828|2.379192|0.059724|2.555465|2.669733|2.529560|0.065492|2.221498|0.056133|3.707509|4.133852|4.135841|2.366854|4.820910|3.093834|6.960789|4.639918|6.241748|3.037723|2.992896|0.302585|0.500000| |17.602587|8.728584|9.003112|0.170581|6.755402|4.398454|3.826618|3.810167|3.512684|0.081420|3.592939|3.624367|0.084604|3.609159|0.112835|3.797415|4.400413|0.114161|2.965072|2.843164|2.518431|0.073825|2.337319|0.058271|2.583276|2.815996|2.612140|0.069004|2.232212|0.057123|3.670987|4.459119|3.861157|2.142299|4.844782|3.077432|7.030680|5.133189|6.534870|3.116285|3.874760|0.300101|0.303219|0.500000| |8.757907|17.687220|12.364938|0.182524|7.007500|4.697646|3.668639|3.655632|3.842971|0.088646|4.547526|4.493118|0.099824|5.188765|0.164227|6.436107|6.786741|0.171591|4.488605|4.244172|3.387563|0.096861|2.987388|0.071814|3.190761|3.580864|3.528586|0.091188|2.889342|0.070968|4.802720|5.294903|5.035761|2.775546|7.310397|5.082772|14.073269|6.952394|7.097454|3.164521|3.971586|0.171969|0.209213|0.210537|0.500000| |8.866117|17.634328|12.450940|0.225140|5.592776|4.094475|3.508188|3.851815|4.291253|0.097829|4.765184|4.087912|0.092566|4.296558|0.121211|5.722539|7.428475|0.238090|4.494520|4.792183|4.027563|0.123652|3.396180|0.081762|3.668499|3.813268|3.594912|0.088409|3.065041|0.074518|4.994892|5.451218|5.811902|3.259839|6.766310|4.297352|10.710212|5.964731|8.945068|3.918876|3.293970|0.208815|0.218560|0.172723|0.303211|0.500000| |6.899419|6.790063|12.368243|0.235182|17.639160|8.719880|7.143813|6.309720|5.078038|0.111384|5.076064|5.560847|0.123823|4.795799|0.148329|4.496154|5.554312|0.128503|3.351696|2.994160|2.685702|0.077431|2.631279|0.064623|3.076530|3.577682|3.118627|0.083582|2.555683|0.066400|4.050768|5.818441|4.008137|2.132918|5.280634|3.182479|7.298511|6.414768|8.335478|3.753172|6.508403|0.182858|0.138961|0.225821|0.165069|0.141291|0.500000| |6.138293|7.504832|12.452419|0.183735|17.660255|8.749519|5.506424|4.678039|4.406578|0.100048|5.231621|6.431645|0.136183|6.776348|0.252568|5.992799|6.311694|0.136502|4.035027|3.414812|2.877476|0.080351|2.769205|0.066809|3.115553|3.784020|3.542502|0.096900|2.790399|0.071136|4.507675|5.983518|4.290610|2.274191|6.591282|4.196903|10.286097|8.379844|7.133502|3.168335|7.460818|0.141839|0.134134|0.193982|0.228327|0.149850|0.303879|0.500000| |3.636763|3.706679|6.622873|0.141147|6.611523|8.792133|17.542547|8.917109|5.452641|0.130821|4.771417|5.535447|0.144195|4.068282|0.114581|3.496548|4.108969|0.097627|2.867982|2.516380|2.378836|0.067553|2.490976|0.062355|3.015772|3.562950|2.950348|0.081597|2.464496|0.066981|3.822889|6.520203|3.599588|1.871216|4.521478|2.551342|5.361297|5.971442|7.676260|3.744772|7.240044|0.104549|0.083843|0.108714|0.095034|0.089679|0.204082|0.143435|0.500000| |3.061746|3.333387|6.072183|0.126210|5.467056|8.941318|17.552972|8.857218|6.433850|0.168438|5.810590|7.197244|0.219407|4.642193|0.120645|3.789779|4.325232|0.101115|3.211144|2.718075|2.599728|0.072268|2.847989|0.070715|3.551777|4.464035|3.531226|0.099843|2.892564|0.080435|4.363740|8.993139|3.899830|1.975323|4.981401|2.691908|5.509894|7.043566|7.948028|3.820527|7.031844|0.086628|0.072535|0.087785|0.087308|0.083686|0.142880|0.124044|0.304237|0.500000| |4.634188|4.757470|9.127730|0.250204|6.753714|6.553758|8.914617|17.516616|8.875075|0.179577|5.948558|5.232915|0.125257|3.944681|0.106162|3.888896|5.331777|0.134155|3.215858|2.976578|2.899063|0.086240|2.980032|0.074180|3.785839|4.159081|3.240975|0.084022|2.754582|0.073188|4.183052|6.961645|4.255754|2.220828|4.801735|2.696467|5.845565|5.589506|14.248057|6.519627|4.537114|0.147345|0.102904|0.125396|0.110096|0.119313|0.209253|0.136100|0.223104|0.174862|0.500000| |3.275636|3.434601|6.167962|0.147961|4.698228|5.503625|8.897747|17.577237|8.828996|0.231267|5.436576|4.879405|0.130405|3.545951|0.092122|3.358861|4.258191|0.108479|2.954285|2.701475|2.724267|0.079510|2.960357|0.075090|3.864171|4.229630|3.185539|0.084039|2.772326|0.076434|4.140473|7.864162|4.056145|2.077301|4.439441|2.407483|4.977298|5.328182|11.680580|6.273756|4.129417|0.099790|0.077252|0.089755|0.084397|0.089673|0.134215|0.103536|0.210324|0.219710|0.306885|0.500000| |2.807800|3.582904|4.931305|0.092184|3.010159|2.880166|2.511155|2.625060|3.200963|0.084073|4.015432|3.497543|0.088215|4.132382|0.101442|5.784207|4.780365|0.146817|9.099454|17.661531|9.029582|0.182701|6.042940|0.136558|4.607485|4.568804|6.090353|0.138239|6.109810|0.126107|12.435293|6.244804|14.410328|6.759742|14.959931|6.735550|10.313867|7.092890|5.872756|2.787046|2.512284|0.073446|0.075457|0.070924|0.103608|0.111425|0.072994|0.083989|0.062139|0.066851|0.071062|0.065373|0.500000| |3.694963|5.090179|6.747509|0.124428|3.728857|3.352435|2.888971|3.106672|3.851811|0.096082|4.847837|3.968071|0.094722|4.574496|0.114450|7.261484|6.807135|0.241628|8.690632|17.570879|8.718198|0.227381|5.593573|0.124618|4.974892|4.904151|5.557468|0.123891|4.945903|0.107810|8.416977|6.410702|11.128386|5.864732|11.631292|6.453914|13.020082|7.017147|7.483498|3.383440|2.800112|0.095861|0.098353|0.089394|0.142314|0.172839|0.089589|0.102423|0.071217|0.074332|0.086401|0.075400|0.305467|0.500000| |2.510789|2.946981|4.834654|0.103369|3.091739|3.372179|3.443972|4.056674|5.855818|0.201325|5.830129|4.207222|0.116934|3.641422|0.085090|3.985364|4.562182|0.132894|4.541503|4.425404|5.555905|0.151202|8.801163|0.223152|17.573611|8.825233|6.006748|0.135540|6.607952|0.191675|8.035990|14.095594|7.706570|3.419830|6.191095|2.957534|5.615098|6.034710|9.831650|5.038255|2.737673|0.071776|0.063518|0.064811|0.076272|0.086078|0.077742|0.076884|0.080774|0.097101|0.099145|0.108231|0.103605|0.107936|0.500000| |3.127521|3.808713|6.316051|0.139290|3.663045|3.722267|3.685725|4.574002|7.173653|0.202842|7.134396|4.534837|0.114849|4.002288|0.094588|4.839039|6.313766|0.210580|5.286594|5.637509|7.257366|0.231513|8.774842|0.195437|17.678615|8.581718|5.907271|0.126466|5.757548|0.141941|7.554623|10.603749|8.782017|4.015950|6.772548|3.356640|6.734469|6.170685|15.079283|6.707137|2.898959|0.090260|0.078372|0.077963|0.094906|0.116178|0.091420|0.089569|0.086479|0.097428|0.117860|0.115087|0.121465|0.145004|0.305085|0.500000| |2.113438|2.526399|3.680037|0.071973|2.388537|2.450800|2.251791|2.358292|2.882583|0.081524|3.422609|3.011749|0.082059|3.262473|0.078451|3.821680|3.432862|0.100611|5.522584|6.156365|7.059379|0.141474|7.638824|0.201275|4.853480|4.463570|6.021765|0.143500|9.835697|0.209028|35.696645|6.725535|14.696270|5.430375|9.116883|3.869466|6.138518|6.084144|5.084906|2.551675|2.180280|0.057145|0.056214|0.054792|0.070808|0.075318|0.059256|0.064964|0.055610|0.062503|0.061813|0.061007|0.191750|0.128196|0.119498|0.114384|0.500000| |2.332648|2.739411|4.574689|0.092417|3.195363|3.824206|3.782055|3.923329|5.095455|0.169091|5.952398|5.225269|0.168640|4.418820|0.098779|4.211791|4.266440|0.110178|4.726226|3.888976|4.105370|0.103504|5.722253|0.137921|7.256659|9.722654|7.431877|0.205223|6.813830|0.235188|8.399137|35.726677|6.055646|2.756305|6.839028|3.148238|5.783014|8.037407|7.267719|3.558604|3.230859|0.064843|0.058685|0.062335|0.073863|0.076213|0.078294|0.081083|0.086790|0.115096|0.091701|0.103365|0.095585|0.093506|0.222849|0.148615|0.113473|0.500000| |2.528386|3.028809|3.954027|0.077678|2.414699|2.262756|2.064579|2.216947|2.628955|0.069865|2.977779|2.572672|0.065797|2.821487|0.072671|3.608277|3.461975|0.111973|4.425130|6.794942|6.986236|0.180475|4.593669|0.120434|3.622982|3.243435|3.675935|0.087607|4.007187|0.092148|7.800443|4.716447|16.375285|17.545132|7.330919|3.903204|6.617035|4.767332|5.113117|2.581173|1.994703|0.067767|0.070435|0.062870|0.084330|0.097926|0.061237|0.066626|0.052361|0.054707|0.061563|0.056607|0.221943|0.189348|0.086348|0.102650|0.137585|0.072928|0.500000| |2.478685|2.894153|3.860565|0.078890|2.335793|2.201951|2.073150|2.295925|2.755595|0.074262|2.966312|2.475264|0.063677|2.579487|0.066104|3.214725|3.335306|0.111207|3.789086|5.441473|7.178885|0.226689|4.887618|0.137637|3.929430|3.244664|3.407709|0.080291|3.821914|0.090793|6.856955|4.755251|16.475335|17.522942|5.901827|3.108821|5.583904|4.290504|5.575416|2.921474|1.912813|0.068609|0.068528|0.061118|0.077253|0.094438|0.060216|0.062801|0.052596|0.054912|0.064004|0.059444|0.149135|0.152325|0.095335|0.116511|0.121786|0.073624|0.299237|0.500000| |2.106252|2.438609|3.280296|0.065824|2.060261|1.982553|1.855927|2.001714|2.362589|0.064687|2.591511|2.247849|0.058985|2.389342|0.061225|2.891186|2.830266|0.089328|3.528213|4.786353|5.815561|0.150684|4.415057|0.128351|3.384906|2.915493|3.238001|0.078446|3.805006|0.091357|7.512041|4.403675|16.895101|17.640321|5.858225|3.011883|5.093434|4.132364|4.555432|2.389836|1.763858|0.057540|0.058302|0.053154|0.067042|0.076626|0.052917|0.056234|0.047233|0.049924|0.055037|0.052183|0.148294|0.124059|0.084421|0.093969|0.142218|0.069840|0.300634|0.299947|0.500000| |3.124546|4.035857|5.155761|0.090442|3.330984|3.051197|2.514736|2.486813|2.825911|0.071891|3.567901|3.523462|0.086825|4.686532|0.127706|6.243509|4.481053|0.122686|6.635488|6.401014|4.239261|0.105139|3.526579|0.083918|3.206574|3.549838|4.416746|0.116183|3.782267|0.087743|7.267128|5.196450|6.843046|3.726010|16.462582|17.616755|16.676240|8.043027|5.021343|2.368957|2.801991|0.077125|0.085349|0.081221|0.131980|0.116987|0.079622|0.100821|0.063577|0.065984|0.068520|0.061034|0.201874|0.186567|0.075878|0.087014|0.105469|0.077314|0.123162|0.092494|0.090752|0.500000| |3.002618|3.799049|5.165052|0.088798|3.635288|3.468943|2.744954|2.586592|2.865052|0.073003|3.708268|4.055398|0.101050|6.012684|0.171821|6.618762|4.383145|0.109861|6.166629|4.805123|3.484949|0.087017|3.185894|0.075882|3.039876|3.609582|4.513510|0.130468|3.609553|0.086912|6.720389|5.507132|5.532797|2.899137|16.802515|17.651867|16.401425|11.344323|4.836742|2.272062|3.343272|0.073839|0.079714|0.081503|0.126523|0.102135|0.084906|0.114361|0.069237|0.072888|0.070009|0.063157|0.138581|0.131515|0.073401|0.080650|0.093454|0.081249|0.089907|0.073606|0.072487|0.297643|0.500000| |2.729523|3.279274|5.267905|0.093178|4.310831|5.244066|3.934379|3.323111|3.558577|0.093007|4.761089|6.897824|0.202320|9.868396|0.240534|5.811289|4.427449|0.100883|4.993615|3.551302|2.982137|0.075872|3.137712|0.074903|3.330254|4.530127|5.114664|0.178840|3.725242|0.098321|6.136186|7.961917|4.577183|2.283337|9.385106|4.915846|8.789215|35.733891|5.321735|2.486872|5.583291|0.070255|0.068476|0.077265|0.098888|0.083756|0.097957|0.127008|0.095029|0.112395|0.083675|0.080852|0.092694|0.092354|0.084140|0.084645|0.082352|0.113095|0.065803|0.059893|0.057902|0.106903|0.150439|0.500000| |3.486374|3.716656|5.767281|0.146525|3.429375|3.244135|3.522328|4.833931|5.790985|0.150010|4.366121|3.313433|0.083656|2.876686|0.074308|3.236029|4.295879|0.136835|3.088570|3.285571|3.668537|0.122246|3.674355|0.096617|4.638615|3.917573|3.118048|0.075794|2.974693|0.078070|4.495167|6.117181|5.388953|2.855825|4.493450|2.442278|5.023214|4.383234|16.843175|17.637156|2.577901|0.112044|0.087076|0.085215|0.086710|0.112336|0.095025|0.081815|0.088981|0.088495|0.144989|0.130884|0.077581|0.095658|0.123425|0.170791|0.069653|0.086557|0.075363|0.087987|0.069780|0.065235|0.061058|0.063398|0.500000| |3.427200|3.530549|5.818846|0.150955|3.760847|3.718936|4.463407|6.901999|6.960886|0.181141|4.530381|3.595381|0.092196|2.941547|0.076588|3.101532|4.086550|0.117893|2.852315|2.841608|3.026587|0.094311|3.167389|0.082478|4.102592|3.828013|2.961246|0.074412|2.732651|0.073620|4.113522|6.409661|4.500387|2.354114|4.220265|2.300457|4.748555|4.459162|16.357949|17.576983|2.912786|0.111103|0.082988|0.087668|0.083153|0.099280|0.107911|0.086689|0.113773|0.110602|0.209853|0.208428|0.068053|0.081348|0.113782|0.137238|0.062487|0.088608|0.063088|0.070016|0.058565|0.060266|0.058789|0.065775|0.300372|0.500000| |2.929682|3.200058|5.257650|0.127439|3.320611|3.417359|3.891483|5.502423|7.183599|0.226254|4.882845|3.629943|0.095506|3.000803|0.075375|3.234101|4.172002|0.124535|3.165370|3.207663|3.655210|0.114879|4.066063|0.107883|5.675369|4.655744|3.446580|0.084191|3.319420|0.090511|4.820645|7.739061|5.346223|2.701552|4.564015|2.399006|4.828785|4.663668|16.453468|17.565512|2.701830|0.090134|0.072715|0.074581|0.077657|0.092962|0.089874|0.078743|0.094922|0.102517|0.144454|0.160639|0.076009|0.088516|0.168408|0.198800|0.073722|0.108873|0.070343|0.080499|0.066963|0.062847|0.060557|0.067665|0.299899|0.299524|0.500000| |3.468199|3.912017|6.417035|0.111901|6.856676|8.636648|5.517372|4.041381|3.741859|0.092088|4.460858|6.728015|0.169354|6.914434|0.252769|4.689615|4.349573|0.097313|3.555309|2.857954|2.474903|0.066811|2.516631|0.061474|2.808218|3.560740|3.427628|0.102092|2.689209|0.071164|4.366951|6.216802|3.788957|1.966373|6.144811|3.655412|7.614667|10.257680|5.599933|2.617693|17.579301|0.087904|0.083436|0.106142|0.116804|0.091850|0.156551|0.219220|0.144131|0.143266|0.105775|0.095142|0.072764|0.080110|0.071911|0.076474|0.061760|0.085180|0.056773|0.053359|0.049708|0.085708|0.107570|0.184849|0.066288|0.072341|0.068417|0.500000| |2.963072|3.247683|5.517191|0.103643|5.524568|8.806995|7.151536|4.615016|4.036222|0.103218|4.482945|6.762783|0.203428|5.449165|0.159002|3.895206|3.873843|0.088711|3.178243|2.593948|2.350911|0.063723|2.486127|0.061457|2.861665|3.647256|3.312328|0.099442|2.652403|0.072529|4.202979|6.923567|3.605197|1.848662|5.308761|2.974142|5.987001|8.705635|5.710735|2.733184|17.569742|0.078966|0.071437|0.088676|0.091445|0.079116|0.136742|0.146826|0.184606|0.216253|0.112873|0.112326|0.065718|0.071215|0.075738|0.077065|0.059509|0.093851|0.052349|0.050461|0.047040|0.071255|0.085001|0.156557|0.067468|0.076880|0.072807|0.301751|0.500000| 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