Version2.0 2020-01-14T12:44:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)[C@H](c1nnnn1C[C@@H]2CCCO2)[NH+](CCCO)Cc3cc4cc5c(cc4[nH]c3=O)OCCO5 C13498806 RHF 6-31G(d) (6D,7F) CC(C)[C@H](c1nnnn1C[C@@H]2CCCO2)[NH+](CCCO)Cc3cc4cc5c(cc4[nH]c3=O)OCCO5 C01[X(C25H35N6O5)] 207 C1 610 OCCC[NH+]([C@@H](c1nnnn1C[C@@H]1CCCO1)C(C)C)Cc1cc2cc3OCCOc3cc2[nH]c1=O OCCC[NH+]([C@@H](c1nnnn1C[C@@H]1CCCO1)C(C)C)Cc1cc2cc3OCCOc3cc2[nH]c1=O CC(C)[C@@H]([NH+](CCCO)CC1=Cc2cc3OCCOc3cc2NC1=O)c4nnnn4C[C@@H]5CCCO5 InChIKey=OLSZLJNUQFTOGT-WMZHIEFXSA-O InChI=1S/C25H34N6O5/c1-16(2)23(24-27-28-29-31(24)15-19-5-3-8-34-19)30(6-4-7-32)14-18-11-17-12-21-22(36-10-9-35-21)13-20(17)26-25(18)33/h11-13,16,19,23,32H,3-10,14-15H2,1-2H3,(H,26,33)/p+1/t19-,23+/m0/s1 InChI=1/C25H34N6O5/c1-16(2)23(24-27-28-29-31(24)15-19-5-3-8-34-19)30(6-4-7-32)14-18-11-17-12-21-22(36-10-9-35-21)13-20(17)26-25(18)33/h11-13,16,19,23,32H,3-10,14-15H2,1-2H3,(H,26,33)/p+1/t19-,23+/m0/s1/fC25H35N6O5/h26,30H/q+1 CC(C)[C@H](c1nnnn1C[C@@H]2CCCO2)[NH+](CCCO)Cc3cc4cc5c(cc4[nH]c3=O)OCCO5 C01[X(C25H35N6O5)] 207 C01 610 OCCC[NH+]([C@@H](c1nnnn1C[C@@H]1CCCO1)C(C)C)Cc1cc2cc3OCCOc3cc2[nH]c1=O OCCC[NH]([C@@H]([C@@H]1NNNN1C[C@@H]1CCCO1)C(C)C)Cc1cc2cc3OCCOc3cc2[nH]c1=O CC(C)[C@H]([C@@H]1NNNN1C[C@@H]2CCCO2)[NH](CCCO)CC3=Cc4cc5OCCOc5cc4NC3=O InChIKey=DDGZGMHNLOICPZ-WUMKDDEVSA-N InChI=1S/C25H39N6O5/c1-16(2)23(24-27-28-29-31(24)15-19-5-3-8-34-19)30(6-4-7-32)14-18-11-17-12-21-22(36-10-9-35-21)13-20(17)26-25(18)33/h11-13,16,19,23-24,27-30,32H,3-10,14-15H2,1-2H3,(H,26,33)/t19-,23+,24+/m0/s1 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15.99491 15.99491 12.00000 12.00000 15.99491 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 1.00783 1.00783 1.00783 1.00783 12321.0179 26001.3465 31678.6718 0.99986 0.01623 0.00375 -0.01623 0.99987 0.00112 -0.00373 -0.00118 0.99999 1 0.00703 0.00333 0.00273 0.14648 0.06941 0.05697 16.60 21.39 33.06 45.81 52.37 63.16 80.11 101.08 103.47 106.63 127.14 136.68 154.44 164.01 171.10 186.89 199.95 201.88 230.85 245.85 272.88 300.68 324.18 349.41 356.72 370.33 393.24 411.49 418.00 427.12 435.43 455.25 480.68 492.20 537.78 553.66 557.43 566.27 594.97 622.35 653.22 663.64 704.56 713.37 726.96 734.51 757.15 779.28 800.27 828.16 870.67 905.22 918.78 934.91 978.36 1026.45 1043.74 1102.52 1114.10 1121.75 1134.51 1142.36 1172.67 1174.51 1183.11 1214.06 1248.40 1257.27 1292.81 1303.20 1316.05 1339.51 1363.07 1369.27 1371.56 1399.43 1413.55 1431.98 1436.86 1448.55 1452.12 1464.28 1482.26 1500.66 1509.53 1517.49 1522.77 1552.97 1580.53 1605.82 1616.16 1626.90 1639.18 1654.20 1668.89 1700.99 1729.83 1743.03 1750.84 1760.34 1770.25 1781.66 1796.86 1805.03 1812.22 1834.29 1846.86 1865.51 1877.65 1893.49 1896.84 1919.73 1922.27 1947.18 1953.07 1961.27 1962.42 1987.48 1992.96 2018.60 2025.28 2028.98 2058.57 2060.11 2065.73 2069.21 2098.50 2103.21 2113.06 2119.32 2133.08 2136.21 2147.13 2160.49 2170.16 2174.17 2179.46 2212.66 2223.25 2233.89 2243.30 2249.55 2251.35 2267.93 2276.74 2283.16 2292.69 2293.58 2303.43 2334.65 2336.08 2349.46 2352.62 2356.31 2365.85 2366.59 2374.22 2377.56 2380.56 2383.57 2386.22 2387.60 2396.77 2404.67 2424.27 2428.10 2431.32 2502.30 2546.14 2605.98 2642.05 2759.30 4574.56 4610.21 4621.06 4626.54 4639.87 4645.43 4646.35 4656.03 4658.70 4662.35 4679.03 4679.28 4701.70 4708.54 4727.10 4738.44 4739.57 4752.21 4773.55 4776.55 4790.13 4792.39 4794.93 4798.01 4800.13 4803.56 4819.08 4859.98 4873.07 4875.65 4884.01 4891.51 5319.55 5520.54 5918.20 0.652207 0.684032 0.684976 0.585227 -1667.176022 -1667.144197 -1667.143253 -1667.243002 3.345598D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2020 DUDE CC(C)[C@H](c1nnnn1C[C@@H]2CCCO2)[NH+](CCCO)Cc3cc4cc5c(cc4[nH]c3=O)OCCO5 C13498806 RHF 6-31G(d) (6D,10F) C1 499.266894 |X|Y|Z| 71.303449 110.587940 45.601116 71.110095 28 6 7 8 19 6 3 |36.858105| |12.409061|36.858105| |7.567536|12.402656|36.858105| |7.493575|12.208464|7.281983|36.858105| |6.725707|8.795317|5.430823|17.682132|0.500000| |6.494831|7.509722|5.891028|12.667126|0.249693|36.858105| |5.507760|6.179887|6.008472|7.711681|0.159341|14.728389|53.358707| |4.412785|4.469270|4.301084|5.350188|0.125802|9.057706|19.444729|53.358707| |4.309600|4.206709|3.753486|5.274507|0.134109|8.899755|12.197304|20.733380|53.358707| |5.223532|5.231745|4.228696|7.464502|0.197461|14.260958|12.169725|12.420019|19.487190|53.358707| |4.390912|4.278664|3.403663|5.788954|0.182341|7.375763|7.245625|7.501931|10.794625|17.711620|36.858105| |4.762985|4.219500|3.256970|5.079168|0.168283|5.635586|5.832077|5.847889|7.528808|10.310077|12.534976|36.858105| |5.154785|4.210275|3.316643|4.718996|0.145093|5.480430|5.980065|6.162825|7.868961|9.794300|8.908428|17.540785|0.500000| |3.524601|3.204769|2.597879|3.703251|0.120464|3.939591|4.396910|4.508271|5.596628|6.731859|7.490229|12.473067|0.244920|36.858105| |3.522272|3.136115|2.522175|3.422060|0.112528|3.405868|3.854694|3.820313|4.478617|5.328318|5.121314|8.050367|0.188858|12.466593|36.858105| |4.312526|3.894877|2.968964|4.249939|0.149389|3.916329|4.264230|4.030661|4.615501|5.796696|5.352376|8.132890|0.181040|8.013234|12.463457|36.858105| |5.591156|5.022874|3.608935|5.917104|0.222135|5.524232|5.562746|5.151530|6.059055|8.385648|7.958019|13.491805|0.258406|8.157251|8.080970|13.380606|73.516695| |4.888404|7.468529|6.332072|12.511236|0.252017|7.753078|8.526959|6.193142|5.874565|7.381791|4.497547|3.823659|0.097752|3.045830|2.822519|3.390880|7.601166|53.358707| |4.719011|7.193799|7.463450|9.364764|0.182687|7.153063|9.258653|6.430118|5.711141|6.687498|3.924276|3.373357|0.089171|2.719219|2.526900|2.959999|6.499346|25.706194|0.500000| |3.742312|4.850297|4.341031|7.430597|0.185494|6.653584|7.647493|6.184417|6.087982|7.412503|4.714840|3.711117|0.092584|3.059005|2.730627|3.152427|6.928322|17.089515|0.261103|36.858105| |3.029550|3.815804|3.767249|4.941044|0.123129|4.663066|6.129673|5.191652|4.896834|5.413207|3.496764|2.875685|0.073813|2.473204|2.243618|2.522584|5.283807|10.315498|0.210705|12.500082|36.858105| |2.535598|3.008253|2.939919|3.781675|0.099100|3.812247|5.068351|4.663215|4.538219|4.822066|3.257881|2.652800|0.067846|2.359715|2.110456|2.304506|4.723945|6.707882|0.133675|7.574560|12.503378|36.858105| 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|2.320796|2.462622|2.122795|2.583381|0.081912|2.228454|2.656353|2.451912|2.583269|2.974839|2.383276|2.523820|0.063118|2.544462|2.823064|3.349663|5.312649|3.487050|0.063475|2.456604|2.188240|2.036269|3.262734|2.923607|3.780634|4.526146|6.862292|7.949244|13.505256|36.858105| |2.375058|2.591528|2.233809|2.808252|0.089470|2.401067|2.845042|2.611772|2.751307|3.190365|2.554842|2.620562|0.064659|2.606725|2.784913|3.314035|5.481256|3.913007|0.070198|2.815949|2.505183|2.335427|3.704603|3.338020|4.525801|5.136392|7.877862|6.841985|7.862355|13.830111|36.858105| |2.772557|3.136072|2.646415|3.468164|0.112714|2.842397|3.307461|2.973164|3.118071|3.692239|2.919552|2.946663|0.072038|2.816952|2.956831|3.666254|6.338541|4.926479|0.085911|3.471330|3.004123|2.710842|4.221705|4.411753|6.757054|7.861086|13.654240|7.892955|6.848928|7.969712|13.705255|36.858105| |2.712427|3.162071|2.718295|3.659373|0.116444|3.010693|3.515521|3.145832|3.281114|3.878556|3.024239|2.902970|0.070735|2.733203|2.741871|3.307031|6.034259|5.573706|0.095793|4.143191|3.624149|3.274464|5.014587|5.068010|7.941576|7.005078|7.998897|5.199591|4.579353|5.204448|7.896921|13.814564|53.358707| |2.397408|2.748680|2.419156|3.169161|0.098579|2.709448|3.220816|2.929735|3.058622|3.547204|2.778128|2.640794|0.064670|2.538435|2.520939|2.938625|5.316814|4.843218|0.085319|3.760807|3.428916|3.237462|5.021706|4.206128|5.791569|5.125305|5.796681|4.264373|4.014857|4.793650|7.306702|9.245211|25.963696|0.500000| |3.035287|3.731468|3.212364|4.511063|0.140204|3.562676|4.129115|3.593874|3.691080|4.414923|3.311261|3.061365|0.074924|2.763047|2.699002|3.269942|6.330822|7.571214|0.124785|5.624989|4.796721|4.048938|6.018922|7.495589|12.952538|7.832187|6.695000|4.483196|3.761860|3.941677|5.154113|7.796667|19.033660|0.265081|36.858105| |2.762847|3.385070|3.044343|4.148940|0.122087|3.453636|4.120949|3.617731|3.676498|4.291980|3.158429|2.819192|0.069667|2.553511|2.433063|2.843006|5.573448|7.417173|0.126671|6.261630|5.910959|5.088007|7.434651|6.689146|8.065147|5.371213|4.700645|3.491717|3.057439|3.237444|4.098315|5.401093|11.586771|0.220259|15.767767|73.516695| |2.014426|2.106009|1.849221|2.198954|0.068529|1.945804|2.352582|2.200103|2.318282|2.625814|2.105409|2.227553|0.056285|2.293604|2.540438|2.880326|4.548378|2.969790|0.054870|2.123680|1.925046|1.823392|2.955677|2.435240|3.006676|3.436723|4.634177|5.261173|7.967872|14.270426|8.184288|5.294901|5.470508|0.109165|3.173181|4.854948|73.516695| |1.936651|1.981264|1.745771|2.030783|0.062864|1.816456|2.209784|2.078850|2.190575|2.462525|1.971718|2.125674|0.054426|2.210540|2.505445|2.791082|4.317746|2.693035|0.050249|1.907870|1.730568|1.638473|2.669939|2.174184|2.605854|3.002066|3.860884|4.670055|7.007755|8.116279|5.284182|4.025944|4.335676|0.085520|2.655773|4.123432|23.887399|36.858105| |2.050970|2.090031|1.842638|2.088040|0.064279|1.845513|2.250302|2.099108|2.194110|2.469226|1.947499|2.118087|0.054888|2.156196|2.469710|2.811830|4.367645|2.747471|0.051533|1.901933|1.723765|1.607804|2.628657|2.243182|2.667746|3.168832|4.048149|5.342660|8.200705|7.058665|4.690925|3.897040|4.157701|0.079769|2.619578|4.032547|14.122939|12.603648|36.858105| |2.416722|2.457578|2.116870|2.438107|0.076294|2.114807|2.543128|2.349980|2.462857|2.813336|2.224361|2.457863|0.063344|2.467814|2.883803|3.435061|5.239204|3.153016|0.058532|2.142945|1.906047|1.752524|2.835469|2.591185|3.144011|3.930466|5.230401|8.098465|14.079320|7.932990|5.208935|4.607571|4.703289|0.087005|2.981874|4.475760|12.139526|7.997612|13.505536|73.516695| |17.577970|8.869046|6.916868|5.488034|0.141347|4.787709|5.928425|4.942432|4.773421|5.491869|3.539995|3.889234|0.117040|3.064312|3.165347|3.812212|8.056743|5.532242|0.111604|3.176124|2.676967|2.263291|3.606284|3.768346|3.460079|3.748014|3.118049|3.061155|2.548988|2.241095|2.256551|2.598317|3.408259|0.061759|2.756286|4.455329|3.479576|1.903153|2.046488|4.284273|0.500000| |17.608964|8.733758|5.485905|7.000938|0.203957|6.118213|6.597392|5.607411|5.857393|7.423935|4.987753|5.986399|0.179977|4.251387|4.373368|5.646848|13.719164|6.194848|0.116156|3.644970|2.897457|2.475237|3.830046|4.029663|3.915085|4.276106|3.578565|3.455752|2.852678|2.516725|2.553740|2.970696|3.878189|0.069643|3.118045|4.960563|3.862909|2.096688|2.213609|4.701899|0.301635|0.500000| |17.578291|8.742273|6.941664|6.579007|0.157403|6.995702|8.828544|7.214390|6.821991|7.793949|4.503094|4.723337|0.150195|3.470920|3.338875|3.849188|8.872450|6.109969|0.124785|3.608131|2.965829|2.518843|3.949147|3.722234|3.330904|3.388336|2.836082|2.693536|2.293426|2.081342|2.137963|2.459048|3.326903|0.061004|2.732721|4.537562|3.258882|1.766310|1.851052|3.811136|0.302834|0.300422|0.500000| |9.011496|17.591410|8.926157|8.929902|0.224423|5.564101|6.319548|4.901304|4.745011|5.832985|3.792894|3.865018|0.104544|3.057823|3.101584|3.973876|8.608439|9.167950|0.171561|4.461813|3.589323|2.847507|4.438459|6.926015|5.919465|6.382678|4.473068|3.998350|3.113684|2.746679|2.875087|3.545942|4.741533|0.082379|4.083596|6.325749|4.104646|2.164758|2.317921|4.928729|0.221528|0.211958|0.174626|0.500000| |6.753030|8.727817|17.623358|6.576998|0.135607|6.386277|10.308601|7.052258|5.754253|6.162061|3.476355|3.241837|0.093440|2.574668|2.444662|2.796437|6.091319|7.796537|0.194646|4.258441|3.758346|2.984081|4.793184|4.568675|3.553410|3.336587|2.688175|2.452907|2.090967|1.940700|2.044183|2.386653|3.368346|0.062126|2.902010|5.009587|3.040373|1.619203|1.692871|3.420928|0.165867|0.139113|0.202395|0.173569|0.500000| |5.464281|8.629097|17.520492|6.481180|0.138196|5.111754|7.116376|5.229949|4.588484|5.128751|3.110095|2.920279|0.080750|2.388716|2.316895|2.718350|5.748169|9.400492|0.248132|4.621332|4.214041|3.171001|5.144657|6.375551|4.427617|4.036891|3.100100|2.756284|2.304560|2.136027|2.276451|2.719549|3.879015|0.070517|3.448865|5.902439|3.303099|1.737534|1.829961|3.710027|0.142262|0.121774|0.139616|0.212371|0.301026|0.500000| |7.100429|8.885268|17.580577|5.401166|0.123330|4.574876|6.348610|4.928992|4.388884|4.834398|2.974008|2.948159|0.084642|2.404779|2.386417|2.790377|5.827127|6.461338|0.147411|3.502107|3.128581|2.528213|4.125817|4.457657|3.597366|3.588103|2.871459|2.687094|2.255529|2.043458|2.114791|2.466955|3.378204|0.061648|2.852653|4.768109|3.184094|1.709509|1.825606|3.725102|0.213979|0.143071|0.178049|0.215629|0.301967|0.304994|0.500000| |4.006408|4.169716|3.311204|5.926751|0.199343|6.646893|6.532455|6.393466|8.261118|12.434528|17.606036|8.899476|0.175154|6.629137|4.844477|5.334872|13.341591|6.718233|0.114518|5.504367|3.905219|3.659822|5.140730|3.960306|4.148783|3.849268|3.470717|3.024581|2.672663|2.624579|2.884645|3.352579|4.841613|0.090472|3.921969|6.636507|4.077615|2.109405|2.061105|4.188402|0.091356|0.124932|0.109430|0.106244|0.091785|0.086535|0.079888|0.500000| |3.631557|3.509735|2.944902|4.475092|0.133784|5.737098|6.371180|7.215778|10.903705|12.818284|17.651700|8.878978|0.205934|7.047025|4.616663|4.416119|10.220824|5.089107|0.093759|4.066636|3.192692|3.104968|4.543482|3.035359|3.046591|2.901349|2.670686|2.438430|2.210397|2.160499|2.307437|2.576129|3.648657|0.069901|2.891923|5.016683|3.453850|1.828951|1.792208|3.582503|0.084234|0.111344|0.106132|0.087281|0.085016|0.075582|0.072571|0.301524|0.500000| |3.161099|3.011463|2.468664|3.580902|0.117522|3.753281|4.195187|4.283034|5.279065|6.345392|7.223392|8.816267|0.174226|17.524181|8.806547|6.832153|12.169442|4.172960|0.075214|3.191260|2.577473|2.503890|3.762117|2.764008|3.037852|3.089020|3.080075|2.909593|2.721362|2.675621|2.794880|3.004273|4.023067|0.077093|2.951337|4.875184|4.294171|2.290317|2.189900|4.415419|0.076734|0.102885|0.085797|0.080688|0.067747|0.064234|0.063020|0.204360|0.195334|0.500000| |3.168926|2.851176|2.383794|3.224274|0.100430|3.545251|4.122330|4.376157|5.462166|6.106851|6.297662|8.722635|0.219513|17.601505|8.662777|5.703303|10.362033|3.676681|0.068426|2.736320|2.268439|2.194629|3.369348|2.408976|2.542650|2.605216|2.551627|2.481889|2.324666|2.237113|2.280522|2.431847|3.238575|0.062196|2.411956|4.033082|3.648184|1.996434|1.947331|3.897225|0.077699|0.103064|0.089249|0.074831|0.066641|0.060870|0.061769|0.148787|0.187278|0.301147|0.500000| |2.973385|2.723172|2.240979|2.958831|0.096165|2.913596|3.365135|3.341316|3.857440|4.476731|4.197303|5.722508|0.137503|8.680367|17.602657|8.720050|10.382278|3.450142|0.063279|2.488891|2.083184|1.985516|3.083858|2.420116|2.711761|2.956267|3.111621|3.206756|3.107896|2.933787|2.852877|2.931556|3.658093|0.069558|2.577613|4.137448|4.787061|2.684123|2.589097|5.298354|0.075782|0.099016|0.078278|0.075923|0.060208|0.058049|0.059237|0.115264|0.108969|0.217175|0.194390|0.500000| |3.537241|3.025494|2.468055|3.173729|0.100888|3.204096|3.715648|3.713140|4.299874|4.953748|4.474283|6.858582|0.189568|8.825285|17.567738|8.807470|11.790034|3.544481|0.065954|2.483712|2.072497|1.944169|3.033262|2.431845|2.624501|2.862330|2.869086|2.963696|2.767890|2.534624|2.468363|2.608396|3.296751|0.062060|2.405544|3.886869|4.102444|2.315783|2.321866|4.788433|0.090064|0.121960|0.094476|0.082528|0.066852|0.062312|0.065840|0.113043|0.114713|0.173980|0.217333|0.301924|0.500000| |3.774132|3.639280|2.815420|4.069637|0.145535|3.632209|3.977064|3.728999|4.218876|5.267703|4.842088|6.306401|0.138957|6.571608|8.744276|17.574871|16.582390|4.649280|0.081608|3.233558|2.591370|2.379654|3.625943|3.365980|4.054849|4.707762|5.050227|5.039244|4.460382|4.037436|4.023613|4.445107|5.283990|0.094927|3.691679|5.571313|6.014879|3.203056|3.157293|6.949240|0.093855|0.129796|0.093221|0.105977|0.073008|0.073371|0.073147|0.145454|0.112631|0.181864|0.134425|0.220119|0.174615|0.500000| |4.545027|3.953486|3.016474|4.005572|0.135834|3.603364|4.022663|3.755451|4.173647|5.100807|4.342570|6.136353|0.155400|5.784567|8.684890|17.609554|16.544693|4.353625|0.078871|2.882303|2.352810|2.127991|3.302571|3.125566|3.531657|4.191773|4.220570|4.542670|3.930955|3.344560|3.199426|3.514132|4.215065|0.076116|3.058569|4.704490|5.110693|2.851994|2.973086|6.617497|0.116304|0.168432|0.109361|0.115186|0.077800|0.076080|0.080674|0.118139|0.101869|0.137995|0.127839|0.190733|0.221679|0.301025|0.500000| |3.824812|4.696090|4.200453|7.305030|0.178945|8.252964|9.460455|7.874813|7.876920|9.580651|5.649563|4.104333|0.102845|3.307414|2.848232|3.204970|7.228877|12.334315|0.215938|17.705177|8.924269|6.954439|8.510900|5.567757|4.710489|3.784950|3.137814|2.635746|2.296867|2.270979|2.555742|3.060619|4.790388|0.090215|4.427061|8.461383|3.533962|1.807828|1.797205|3.589965|0.088579|0.103939|0.106494|0.114585|0.120345|0.118299|0.094364|0.178610|0.136699|0.095357|0.083087|0.071303|0.072204|0.089191|0.080382|0.500000| |3.488735|4.360323|3.745261|6.456842|0.186528|5.564440|6.165209|5.271353|5.467916|6.799468|4.808953|3.837174|0.092584|3.250087|2.908943|3.394488|7.317444|12.311056|0.183396|17.719021|8.779998|6.819251|8.328679|7.193295|6.920132|4.913904|4.026959|3.167433|2.730058|2.759301|3.251649|4.097225|6.991660|0.128570|7.241941|14.489692|4.195491|2.086535|2.054478|4.123624|0.083080|0.097960|0.091610|0.116933|0.099754|0.109109|0.086932|0.168145|0.114468|0.096912|0.079325|0.074461|0.071991|0.099967|0.084654|0.301251|0.500000| |2.854222|3.620580|3.603020|4.444768|0.113691|3.950062|5.134919|4.364396|4.150477|4.612774|3.071901|2.625282|0.067434|2.293640|2.127288|2.413067|4.939022|9.275292|0.187503|8.783309|17.642132|9.012611|13.282178|6.640095|5.152583|3.789175|3.142263|2.570808|2.257783|2.282849|2.642119|3.198745|5.380108|0.104112|5.410160|12.634040|3.555942|1.783274|1.780990|3.489769|0.071432|0.075913|0.076133|0.098432|0.096582|0.115362|0.084774|0.095370|0.077713|0.066424|0.058261|0.055366|0.054628|0.069703|0.063217|0.173899|0.209782|0.500000| |3.064827|3.858402|4.054624|4.768090|0.113366|4.703790|6.708485|5.582919|4.996068|5.306236|3.288231|2.729193|0.071710|2.329148|2.117620|2.360604|4.957263|9.448295|0.227061|8.853164|17.528938|8.956274|13.420028|5.358206|4.054507|3.220687|2.678993|2.275691|2.004424|1.991042|2.234904|2.639533|4.179129|0.080561|3.904848|8.038221|3.137229|1.605954|1.612489|3.164492|0.075621|0.079453|0.084997|0.098220|0.116334|0.127975|0.092616|0.097939|0.084245|0.066314|0.060068|0.054357|0.055096|0.066213|0.061868|0.214741|0.173055|0.300711|0.500000| |2.557777|2.963903|2.882167|3.761638|0.098223|4.048961|5.482463|5.260226|5.156581|5.305242|3.542408|2.797172|0.071788|2.480597|2.172101|2.333175|4.832406|6.259569|0.125415|6.965995|8.820006|17.495127|16.478364|3.746807|3.349219|2.757533|2.439855|2.091013|1.896361|1.932900|2.188660|2.510066|4.017762|0.080751|3.538381|7.457760|3.094854|1.578336|1.546482|2.998470|0.062904|0.069591|0.071888|0.076373|0.083149|0.084151|0.068832|0.109082|0.096129|0.073115|0.064741|0.056479|0.055685|0.066128|0.059395|0.210515|0.170817|0.174851|0.212353|0.500000| |2.426640|2.848815|2.708881|3.583372|0.097875|3.519728|4.505535|4.186963|4.212592|4.576064|3.243109|2.664831|0.067072|2.417892|2.167954|2.368852|4.783055|6.198023|0.117523|6.867126|8.866376|17.528212|16.456757|4.117521|3.883744|3.082270|2.765206|2.306468|2.100164|2.188477|2.555708|2.963104|5.021905|0.103911|4.522562|10.628423|3.482417|1.740133|1.689083|3.262088|0.060361|0.066962|0.066144|0.076418|0.075035|0.080459|0.065510|0.104212|0.085830|0.072552|0.062010|0.057225|0.054885|0.069130|0.060288|0.169532|0.202189|0.217293|0.174684|0.300310|0.500000| |2.036394|2.340959|2.353185|2.752098|0.072769|2.794148|3.842394|3.666804|3.542582|3.615806|2.487897|2.106188|0.054841|1.929334|1.749814|1.872406|3.723896|4.562467|0.094189|4.300123|5.981333|9.817956|35.751094|3.076106|2.795040|2.337916|2.120269|1.837019|1.695430|1.750511|1.982926|2.224193|3.571995|0.074120|3.057513|6.625244|2.845427|1.447841|1.416684|2.697923|0.051730|0.055129|0.056583|0.062319|0.066713|0.070443|0.058024|0.075258|0.067710|0.056613|0.050780|0.046364|0.045319|0.053589|0.048639|0.114722|0.113042|0.155098|0.154715|0.225947|0.228828|0.500000| |4.650536|7.247762|6.619238|6.974507|0.173264|4.634120|5.572735|4.368658|4.159887|4.942412|3.258005|3.082578|0.080672|2.573288|2.541637|3.119417|6.458266|12.361191|0.231778|5.585171|4.790845|3.506992|5.497989|17.704855|8.915377|7.193074|4.698675|3.804461|3.021035|2.801655|3.091996|3.972747|5.794134|0.099519|5.608741|8.837118|4.168241|2.127812|2.240595|4.628371|0.118694|0.118104|0.110233|0.246321|0.141722|0.228065|0.152712|0.096755|0.077431|0.071091|0.063657|0.064543|0.066210|0.088542|0.086427|0.126488|0.144444|0.143413|0.127220|0.088715|0.093879|0.075060|0.500000| |3.486375|4.800533|4.614234|5.557925|0.142988|4.190175|5.161416|4.188416|4.009815|4.665969|3.127640|2.821195|0.072505|2.421198|2.329217|2.765999|5.654115|12.406622|0.228532|7.200114|7.031442|4.694535|7.261503|17.694126|8.964945|5.788010|4.244930|3.326295|2.773192|2.714644|3.132812|4.029423|6.593156|0.116675|7.250013|13.371817|4.089083|2.043752|2.092190|4.204299|0.088062|0.091782|0.088004|0.141788|0.112374|0.155949|0.107800|0.096290|0.076108|0.068861|0.060335|0.060162|0.059891|0.080362|0.074195|0.144523|0.187632|0.250009|0.168841|0.110268|0.126354|0.095774|0.303547|0.500000| |4.812024|6.033922|4.513365|5.667106|0.181925|3.953312|4.480106|3.759223|3.810820|4.658054|3.379222|3.519914|0.089899|3.007740|3.188376|4.274993|8.229463|7.211755|0.124885|4.050677|3.321576|2.731555|4.256966|6.983347|9.051544|17.711594|8.867234|7.063314|4.698334|3.952240|4.177886|5.634946|6.834412|0.110451|5.572786|7.609523|5.514379|2.817739|3.064063|6.843756|0.126423|0.139282|0.106610|0.239982|0.102637|0.125556|0.117204|0.100990|0.078894|0.082390|0.072020|0.081165|0.081805|0.126079|0.124254|0.099306|0.118338|0.095807|0.085634|0.071436|0.076912|0.060497|0.214795|0.145405|0.500000| |3.453963|3.616386|2.951431|3.452356|0.110610|2.795816|3.276951|2.923565|3.035133|3.576558|2.756507|3.059278|0.078661|2.856169|3.292829|4.358671|7.022857|4.336980|0.078949|2.763565|2.377379|2.095123|3.338486|3.708022|4.657266|6.934582|8.820002|17.725669|9.060232|5.658580|4.936722|5.613835|5.714861|0.097823|3.886821|5.551378|7.545102|4.054168|4.874619|13.208442|0.095818|0.105870|0.080618|0.121979|0.071684|0.080197|0.080989|0.081111|0.066797|0.078134|0.068807|0.088184|0.085162|0.134716|0.136812|0.071094|0.082374|0.068073|0.061711|0.055688|0.060095|0.048730|0.107138|0.088807|0.211038|0.500000| |2.137482|2.326700|2.040754|2.544127|0.079778|2.224338|2.665241|2.471733|2.604452|2.981964|2.390523|2.411797|0.059659|2.430011|2.546665|2.926450|4.894056|3.597870|0.065160|2.665300|2.420705|2.310469|3.690786|3.013477|3.924079|4.160154|5.601629|4.938017|5.622796|9.003068|17.738588|8.830491|9.668829|0.215525|4.710797|7.074926|13.347468|4.838652|4.075030|7.501467|0.056334|0.063346|0.054227|0.070402|0.052475|0.058021|0.053569|0.075133|0.060927|0.073247|0.059788|0.073121|0.062870|0.096966|0.077549|0.067503|0.085689|0.071043|0.059780|0.060036|0.071144|0.055410|0.076869|0.080604|0.096116|0.107288|0.500000| |1.746430|1.787086|1.596139|1.829821|0.055983|1.653125|2.030585|1.919578|2.015751|2.243258|1.785709|1.906776|0.049150|1.986301|2.218977|2.421208|3.805893|2.446298|0.046012|1.745944|1.603848|1.530684|2.515182|1.966247|2.315725|2.606286|3.236188|3.748464|5.121650|5.957310|4.398481|3.424340|3.846296|0.077421|2.384483|3.772450|16.874738|17.654621|8.822254|10.169986|0.047798|0.052063|0.044615|0.053832|0.041343|0.044279|0.043507|0.052870|0.046435|0.057219|0.050432|0.065996|0.057468|0.075822|0.068397|0.046062|0.052764|0.045976|0.041477|0.040963|0.045147|0.038056|0.053486|0.051936|0.068231|0.092747|0.118673|0.500000| |1.970708|1.988890|1.739057|2.050356|0.063906|1.851972|2.243468|2.125062|2.258351|2.541495|2.063232|2.255368|0.057547|2.394752|2.764065|3.030271|4.565023|2.681466|0.049915|1.908549|1.716053|1.631757|2.644460|2.127308|2.536711|2.912278|3.685159|4.422930|6.274071|6.849190|4.805080|3.795562|4.148869|0.081682|2.571338|4.008459|16.550179|17.579592|8.879934|12.780465|0.053549|0.059913|0.050098|0.059850|0.045040|0.047681|0.047209|0.061127|0.053317|0.069020|0.059989|0.084156|0.070611|0.097273|0.085600|0.050717|0.058034|0.048647|0.044269|0.044004|0.048115|0.039907|0.057635|0.055187|0.076371|0.108690|0.122910|0.299913|0.500000| |1.969675|2.033413|1.816291|2.020197|0.061504|1.777963|2.183541|2.028121|2.102626|2.356033|1.834865|1.967007|0.051188|1.976163|2.220406|2.528470|4.033732|2.698691|0.050909|1.863648|1.709138|1.590410|2.619619|2.234325|2.642806|3.112257|3.926079|5.002424|7.099465|6.459290|4.555616|3.819357|4.127873|0.079607|2.607467|4.030707|12.664795|8.867111|17.557833|16.520973|0.054838|0.058254|0.049417|0.062914|0.046213|0.050576|0.050127|0.053996|0.046954|0.055789|0.049815|0.063832|0.058221|0.078050|0.073939|0.048579|0.055705|0.049488|0.044469|0.042227|0.046366|0.039181|0.062310|0.058481|0.083469|0.127072|0.111465|0.213007|0.173671|0.500000| 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