Version2.0 2020-07-26T22:27:59Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(n(n1)c2ccccc2)Oc3ccc(cc3F)F)C[NH+](CCOC)C[C@@H](COCC(C)C)O C36304020 RHF 6-31G(d) (6D,7F) Cc1c(c(n(n1)c2ccccc2)Oc3ccc(cc3F)F)C[NH+](CCOC)C[C@@H](COCC(C)C)O C01[X(C27H36F2N3O4)] 210 C1 612 COCC[NH+](Cc1c(C)nn(c1Oc1ccc(cc1F)F)c1ccccc1)C[C@@H](COCC(C)C)O COCC[NH+](Cc1c(C)nn(c1Oc1ccc(cc1F)F)c1ccccc1)C[C@@H](COCC(C)C)O COCC[NH+](C[C@H](O)COCC(C)C)Cc1c(C)nn(c2ccccc2)c1Oc3ccc(F)cc3F InChIKey=LHOWNXDBKZHCFQ-QHCPKHFHSA-O InChI=1S/C27H35F2N3O4/c1-19(2)17-35-18-23(33)15-31(12-13-34-4)16-24-20(3)30-32(22-8-6-5-7-9-22)27(24)36-26-11-10-21(28)14-25(26)29/h5-11,14,19,23,33H,12-13,15-18H2,1-4H3/p+1/t23-/m0/s1 InChI=1/C27H35F2N3O4/c1-19(2)17-35-18-23(33)15-31(12-13-34-4)16-24-20(3)30-32(22-8-6-5-7-9-22)27(24)36-26-11-10-21(28)14-25(26)29/h5-11,14,19,23,33H,12-13,15-18H2,1-4H3/p+1/t23-/m0/s1/fC27H36F2N3O4/h31H/q+1 Cc1c(c(n(n1)c2ccccc2)Oc3ccc(cc3F)F)C[NH+](CCOC)C[C@@H](COCC(C)C)O C01[X(C27H36F2N3O4)] 210 C01 612 COCC[NH+](Cc1c(C)nn(c1Oc1ccc(cc1F)F)c1ccccc1)C[C@@H](COCC(C)C)O COCC[NH](C[C]1[C]([N][N@@]([C]1O[C]1[CH][CH][C]([CH][C]1F)F)[C]1[CH][CH][CH][CH][CH]1)C)C[C@@H](COCC(C)C)O COCC[NH](C[C]1[C](C)[N]N([C]2[CH][CH][CH][CH][CH]2)[C]1O[C]3[CH][CH][C](F)[CH][C]3F)C[C@H](O)COCC(C)C InChIKey=JCMCQLGKIJLUKR-QHCPKHFHSA-N InChI=1S/C27H36F2N3O4/c1-19(2)17-35-18-23(33)15-31(12-13-34-4)16-24-20(3)30-32(22-8-6-5-7-9-22)27(24)36-26-11-10-21(28)14-25(26)29/h5-11,14,19,23,31,33H,12-13,15-18H2,1-4H3/t23-/m0/s1 InChI=1/C27H36F2N3O4/c1-19(2)17-35-18-23(33)15-31(12-13-34-4)16-24-20(3)30-32(22-8-6-5-7-9-22)27(24)36-26-11-10-21(28)14-25(26)29/h5-11,14,19,23,31,33H,12-13,15-18H2,1-4H3/t23-/m0/s1 4017.9864016933 -1704.8142051 1-A 24902.5454 134 478 612 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970.04 977.54 1005.26 1049.84 1087.75 1099.49 1105.52 1116.55 1156.53 1234.46 1244.13 1265.55 1277.45 1283.64 1338.67 1348.70 1362.06 1364.78 1393.74 1402.19 1412.62 1453.70 1461.69 1487.29 1498.79 1508.03 1510.59 1513.29 1532.57 1551.40 1556.24 1573.62 1588.27 1607.79 1617.58 1623.95 1627.90 1632.55 1641.63 1673.46 1686.92 1708.25 1735.86 1743.00 1752.65 1776.89 1784.74 1798.07 1799.18 1816.53 1831.72 1840.28 1863.54 1869.61 1872.25 1881.44 1884.94 1888.19 1895.83 1919.00 1927.22 1945.79 1969.42 1989.90 1998.07 2011.73 2015.66 2030.52 2043.11 2075.48 2081.84 2100.86 2110.33 2125.61 2132.51 2171.19 2185.42 2204.83 2216.19 2235.30 2241.44 2244.99 2254.84 2264.83 2266.75 2287.86 2294.29 2308.56 2326.08 2328.28 2338.72 2340.45 2342.34 2350.50 2353.45 2355.57 2356.86 2364.81 2365.31 2373.12 2377.17 2382.27 2385.65 2386.68 2392.24 2411.24 2416.64 2428.48 2443.94 2462.16 2552.75 2587.81 2600.33 2605.54 2634.90 4570.10 4586.16 4601.05 4601.81 4604.08 4613.59 4620.29 4621.69 4628.51 4641.70 4649.68 4669.87 4690.90 4701.38 4706.87 4711.63 4719.44 4725.96 4728.41 4735.70 4755.17 4778.77 4808.10 4813.32 4826.74 4853.23 4868.73 4870.97 4884.17 4887.84 4914.10 4915.80 4916.67 4922.46 5295.17 5848.10 0.653514 0.688293 0.689237 0.580275 -1704.160691 -1704.125912 -1704.124968 -1704.233930 3.654603D-04 MUNgauss RevisionA2.0 retrievium 26-Jul-2020 DUDE Cc1c(c(n(n1)c2ccccc2)Oc3ccc(cc3F)F)C[NH+](CCOC)C[C@@H](COCC(C)C)O C36304020 RHF 6-31G(d) (6D,10F) C1 504.267388 |X|Y|Z| 133.725950 70.581907 45.144834 75.249863 18 6 7 8 15 2 1 |36.858105| |12.708669|36.858105| |7.235489|13.369556|36.858105| |5.196697|8.684035|13.870897|36.858105| |5.352040|8.966750|8.676837|14.292671|53.358707| |7.838835|14.711322|8.500989|8.642197|19.218341|53.358707| |3.958428|5.485877|5.296999|7.620806|18.134248|10.797842|36.858105| |3.673947|4.690550|4.245347|5.306955|10.728424|9.052284|13.743592|36.858105| |2.915812|3.506856|3.277567|3.968606|7.033407|6.159072|7.967778|13.772424|36.858105| |2.573911|3.085587|3.002384|3.693392|6.182505|5.202391|6.891169|7.928231|13.743904|36.858105| |2.669069|3.286332|3.316665|4.267073|6.989554|5.485174|7.967299|6.871623|7.950892|13.763097|36.858105| |3.214283|4.199864|4.332601|6.096301|10.584906|7.243575|13.764099|7.912312|6.872449|7.928631|13.752169|36.858105| |3.835967|5.414350|7.736114|14.224739|11.147434|7.472741|6.490590|4.633218|3.742595|3.688943|4.445485|6.228432|73.516695| |3.350818|4.390202|6.061254|8.103575|7.636401|5.821419|4.775708|3.604077|3.084183|3.156812|3.857569|5.067157|24.611512|36.858105| |3.274110|4.160350|5.302444|6.471861|6.943111|5.570317|4.430123|3.353504|2.917131|3.036269|3.765631|4.898228|13.928526|13.777246|36.858105| |2.745720|3.277127|3.981611|4.441733|5.069732|4.334111|3.380217|2.713518|2.443906|2.571932|3.116835|3.753515|9.194640|7.935253|13.749030|36.858105| |2.444757|2.862703|3.497385|3.827328|4.339375|3.748472|2.934108|2.427133|2.215090|2.327150|2.761614|3.214539|8.217739|6.932485|8.005423|13.822496|36.858105| |2.467178|2.920865|3.669575|4.066933|4.468986|3.804502|3.012889|2.506736|2.277303|2.371608|2.785784|3.244087|9.318253|7.904302|6.849388|7.891944|13.804068|36.858105| |2.834936|3.502648|4.637587|5.465054|5.608647|4.569203|3.689795|2.985540|2.645198|2.720751|3.221494|3.905406|14.385697|13.778831|7.988833|6.915094|8.073196|13.845751|36.858105| |2.727888|3.331241|4.350833|5.014759|5.253329|4.340603|3.503307|2.941207|2.616205|2.648511|3.036950|3.580903|12.764539|8.167560|5.307845|4.668342|5.330314|8.167715|14.365055|97.533100| |2.133512|2.421699|2.854467|3.035316|3.571893|3.175294|2.456334|2.088954|1.938627|2.041080|2.378844|2.678195|6.224786|4.683169|5.315780|8.181050|14.433655|8.206761|5.349093|9.213145|97.533100| |5.811344|7.269799|12.813920|7.395081|7.111643|7.048852|3.804981|3.215029|2.633263|2.468739|2.709898|3.358131|10.682261|5.570880|4.864746|3.961313|3.656216|3.908745|4.781512|10.236246|6.783723|36.858105| |4.879274|5.515433|7.558624|5.494112|5.778495|5.777495|3.307630|2.944567|2.453390|2.276576|2.434437|2.910563|8.701153|4.396759|3.708255|3.173602|3.095435|3.449022|4.171404|9.919094|5.921865|12.491745|53.358707| |5.662001|6.028574|7.232286|5.170388|5.816235|6.158396|3.323374|3.044922|2.512992|2.285663|2.398853|2.846252|7.781617|3.805037|3.297818|2.820828|2.712209|2.962873|3.532135|8.370851|5.262864|9.288180|25.664752|0.500000| |3.880017|4.612260|6.212044|5.502800|5.747749|5.346002|3.440296|3.075338|2.587388|2.413625|2.580380|3.060643|9.752267|4.700438|3.683292|3.138200|3.158322|3.715227|4.723109|12.605720|5.984205|7.555289|17.327181|0.262316|36.858105| |3.367318|3.739631|4.426517|4.039898|4.660739|4.496146|2.940887|2.770591|2.385847|2.202313|2.286675|2.615378|7.091976|3.472489|2.860959|2.517313|2.553591|2.950874|3.544009|9.489729|5.007977|4.965172|10.454097|0.209503|12.530934|36.858105| |3.847737|4.098868|4.492940|3.946477|4.783563|4.868855|2.989924|2.901435|2.465553|2.219476|2.260274|2.578573|6.474184|3.109128|2.650183|2.315586|2.289426|2.558215|3.028725|7.682178|4.523405|4.766184|9.641310|0.242487|8.155651|13.696499|73.516695| |3.192014|3.280943|3.423004|3.127784|3.965527|4.065605|2.590012|2.596998|2.269148|2.038945|2.037177|2.261506|5.226128|2.560025|2.230088|1.984854|1.972517|2.184318|2.521044|6.367102|3.966115|3.534098|6.381865|0.151625|5.223854|8.063424|24.058531|36.858105| |3.916910|4.043672|4.977503|3.933604|4.382599|4.428763|2.639148|2.391273|2.055898|1.935610|2.061702|2.399679|6.568548|3.584465|3.169047|2.876748|2.886695|3.181351|3.592364|8.469482|5.716028|7.631820|17.217305|0.258447|7.597711|6.182006|9.900205|4.152079|36.858105| |3.963580|3.736331|4.142476|3.289613|3.887460|4.105462|2.376806|2.214327|1.915576|1.784521|1.867766|2.140685|5.339443|2.870184|2.628276|2.407469|2.379715|2.549101|2.817107|6.569913|4.821577|5.525947|10.430982|0.221580|5.269833|5.088872|9.454238|4.262784|12.522927|36.858105| |3.726034|3.527772|3.817850|3.122910|3.759642|3.971093|2.332195|2.212403|1.920219|1.774930|1.836443|2.085780|5.096231|2.680070|2.424460|2.210416|2.193716|2.372419|2.642916|6.308340|4.452251|4.729856|9.298674|0.216289|5.286715|5.784725|11.546772|5.331752|8.889603|17.533057|0.500000| |3.152730|2.953572|3.214493|2.671767|3.215391|3.365048|2.019550|1.890173|1.667308|1.571953|1.645152|1.857700|4.450829|2.467990|2.314355|2.188513|2.191732|2.317465|2.469871|5.699717|4.555461|4.101464|6.743359|0.135897|3.885290|3.826677|6.844401|3.361476|7.535020|12.527787|0.248444|36.858105| |3.036769|2.738467|2.846802|2.390176|2.961145|3.158594|1.880250|1.788250|1.585633|1.486250|1.538876|1.721600|3.936220|2.158235|2.049205|1.935885|1.917807|2.003471|2.131099|4.898366|4.015293|3.421096|5.410969|0.115550|3.226170|3.279797|6.177073|3.186052|5.159790|8.221760|0.206014|13.723511|73.516695| |2.534286|2.306675|2.385861|2.054850|2.571451|2.721497|1.660183|1.583677|1.422101|1.343391|1.390016|1.539500|3.430768|1.906986|1.833715|1.761825|1.755526|1.817675|1.898069|4.336832|3.735158|2.800907|4.249963|0.088738|2.647124|2.685766|4.952425|2.624722|3.904123|5.229969|0.135117|8.050523|23.985901|36.858105| |2.380227|2.130659|2.145474|1.867299|2.383590|2.548814|1.554582|1.501867|1.356124|1.275841|1.308507|1.437706|3.099689|1.707637|1.651306|1.581943|1.564418|1.610407|1.684707|3.845253|3.336560|2.428875|3.627685|0.077457|2.304842|2.368973|4.475872|2.441923|3.128523|4.059607|0.110809|5.172229|14.119041|12.508160|36.858105| |2.289148|2.063674|2.067728|1.816922|2.334637|2.493578|1.533749|1.498119|1.356513|1.269532|1.291819|1.411865|3.023037|1.644840|1.573172|1.496742|1.484188|1.542224|1.626625|3.761619|3.153515|2.303228|3.524134|0.076450|2.294871|2.440406|4.692137|2.653725|2.970435|3.839043|0.112606|4.529115|11.571555|7.542432|12.447767|36.858105| |2.034271|1.845431|1.861410|1.647405|2.112890|2.240857|1.394014|1.347225|1.228213|1.163874|1.194329|1.302743|2.762928|1.537476|1.499701|1.454153|1.443770|1.476263|1.524890|3.463544|3.115526|2.084330|3.046178|0.063981|1.976900|2.016829|3.743433|2.054008|2.589298|3.148078|0.085211|3.919173|9.058314|7.626246|12.439415|7.533741|36.858105| |5.196386|4.476701|4.672526|3.525020|4.250326|4.698738|2.542785|2.368011|2.022276|1.866778|1.950516|2.254632|5.454399|2.899056|2.722619|2.458059|2.357804|2.463344|2.732969|6.186319|4.755777|6.028457|9.611231|0.227035|4.657156|4.283548|8.481968|3.855947|8.157356|13.610411|0.259181|7.926305|12.522433|4.745943|3.965558|3.654833|3.078320|73.516695| |17.553627|8.887684|6.405823|4.643025|6.240769|8.256016|3.493644|3.180949|2.602088|2.358495|2.480248|2.967497|6.339762|3.272169|3.308963|2.831979|2.501423|2.476958|2.784457|5.911142|4.951126|5.751798|6.248473|0.140388|3.564274|3.064781|6.017022|2.838448|3.915068|3.986761|0.100122|3.270390|5.595947|2.650745|2.473276|2.319415|2.123773|9.589850|0.500000| |17.621979|8.997564|5.481694|4.456276|6.764691|10.298221|3.907148|3.795443|3.028357|2.627883|2.667039|3.147949|6.034956|2.968433|2.936944|2.490617|2.216739|2.222651|2.527105|5.485435|4.399508|4.416881|5.278898|0.123054|3.278344|2.947485|6.010061|2.926658|3.224753|3.306247|0.088501|2.728038|4.780739|2.294917|2.204671|2.140625|1.906327|7.391335|0.301015|0.500000| |17.565436|8.856613|6.386201|4.611639|6.195065|8.213512|3.497234|3.329193|2.690442|2.373016|2.434233|2.876285|6.329038|3.111428|2.959007|2.525841|2.307363|2.369445|2.719671|6.043045|4.562465|5.758531|7.401815|0.191609|4.182392|3.761861|8.046235|3.714223|4.383020|4.697493|0.125320|3.577005|6.209232|2.825811|2.655522|2.583867|2.217680|11.527766|0.302244|0.300783|0.500000| |4.100557|5.109370|4.349156|5.053916|9.914124|9.955907|8.934505|17.763676|8.896409|5.637622|4.954991|5.644736|7.497960|3.299004|3.056141|2.504030|2.260691|2.344611|2.779523|6.250642|4.409590|3.287741|4.185438|0.090863|3.166697|2.911827|5.613924|2.842654|2.480505|2.338103|0.065532|1.975952|3.352592|1.658586|1.581802|1.587155|1.409220|4.492709|0.095212|0.120728|0.104329|0.500000| |2.702710|3.129300|2.888856|3.351660|5.706783|5.324007|5.664049|8.950279|17.729458|8.909501|5.650671|4.952682|5.608682|2.652049|2.513615|2.150734|1.973704|2.032030|2.329111|5.245661|3.937105|2.376611|3.073621|0.064901|2.375014|2.244451|4.174841|2.208216|1.916372|1.811205|0.050841|1.584942|2.703786|1.368764|1.315201|1.323625|1.193054|3.394580|0.066959|0.079083|0.070316|0.214930|0.500000| |2.257806|2.632442|2.568603|3.064596|4.921665|4.298979|4.962419|5.643112|8.909838|17.730061|8.918609|5.643087|5.507579|2.735097|2.651944|2.310782|2.119341|2.154395|2.422354|5.337787|4.249982|2.169945|2.756673|0.056466|2.147092|1.989031|3.556881|1.865052|1.750815|1.625107|0.045019|1.446297|2.441737|1.250159|1.192112|1.188647|1.093358|3.006078|0.058026|0.064238|0.058406|0.123988|0.214644|0.500000| |2.374936|2.861469|2.937222|3.682183|5.666436|4.589087|5.664880|4.952236|5.649559|8.914331|17.729231|8.944355|7.055367|3.658633|3.660248|3.140126|2.801779|2.790654|3.138226|6.577726|5.496055|2.479094|3.038043|0.060526|2.365133|2.102259|3.652148|1.862387|1.924766|1.740901|0.047393|1.551543|2.576953|1.319020|1.240610|1.221702|1.139365|3.209496|0.062356|0.065582|0.060551|0.107575|0.124139|0.214783|0.500000| |3.158528|4.127872|4.495524|6.411124|9.644307|6.680211|8.894422|5.632242|4.955886|5.651348|8.939055|17.768375|12.645687|6.330133|6.480165|4.707629|3.864637|3.809364|4.594203|8.928261|7.045355|3.559883|4.079396|0.079590|3.127590|2.609107|4.486717|2.191583|2.489976|2.186272|0.058438|1.907703|3.113056|1.569416|1.454438|1.417418|1.321182|4.077646|0.083071|0.084062|0.078314|0.124114|0.107590|0.124313|0.216427|0.500000| |3.597032|4.650805|5.587112|6.876760|8.014546|6.435233|5.033651|3.696791|3.165636|3.278140|4.104504|5.550686|12.596087|8.935713|17.737663|8.926501|5.677825|4.941307|5.669858|9.610863|9.616366|4.728843|4.819513|0.090178|3.417891|2.707612|4.593956|2.186456|2.997441|2.559276|0.065721|2.245386|3.589096|1.805301|1.641950|1.563261|1.489691|4.842075|0.101370|0.090625|0.087425|0.092832|0.074988|0.078491|0.108754|0.208311|0.500000| |2.600118|3.020710|3.506702|3.803212|4.559762|4.022536|3.087233|2.523170|2.299767|2.429445|2.919236|3.432058|7.407422|5.636397|8.869168|17.757702|8.957528|5.639953|4.977216|8.317492|16.690845|3.467314|3.815784|0.070513|2.719363|2.236589|3.719094|1.815773|2.588099|2.223007|0.056657|2.050332|3.263479|1.687337|1.525232|1.435959|1.412210|4.082279|0.075590|0.066363|0.065986|0.064874|0.056607|0.061223|0.082588|0.117441|0.213644|0.500000| |2.218870|2.568784|3.152892|3.411166|3.848818|3.343707|2.632474|2.250171|2.071225|2.152926|2.479943|2.807398|7.545854|5.632644|4.943076|5.623973|8.886724|17.760299|8.923409|16.569662|16.609223|3.413046|4.306768|0.075933|3.463464|2.846620|4.334528|2.111671|3.015206|2.433027|0.063381|2.249821|3.453756|1.778004|1.572300|1.510348|1.449379|4.101870|0.061789|0.055868|0.060017|0.058946|0.051964|0.055020|0.069363|0.088908|0.107383|0.124125|0.500000| |4.472060|5.502761|8.870771|6.810706|6.415685|5.949714|3.602238|2.994825|2.509630|2.413052|2.700507|3.337514|11.449415|6.818067|5.794433|4.777250|4.503937|4.906736|6.055061|12.267988|8.087982|17.635108|12.384240|0.182125|7.025521|4.569589|7.295492|3.150930|6.955146|4.785184|0.114105|3.823411|5.575658|2.642013|2.272329|2.143447|1.984676|8.616706|0.126363|0.100379|0.120952|0.082787|0.062609|0.059235|0.069815|0.101557|0.145061|0.111740|0.115828|0.500000| |6.359679|6.772301|8.963255|5.630137|6.064316|6.440625|3.348183|2.897863|2.406586|2.256139|2.452172|2.979603|8.212737|4.476815|4.247017|3.628288|3.320390|3.412807|3.924159|8.290234|6.362596|17.667096|12.471334|0.222804|5.608322|4.188762|7.470802|3.248254|7.461428|6.053120|0.135292|4.553060|6.785501|3.094191|2.663850|2.467822|2.268135|13.239021|0.194402|0.130175|0.175432|0.083091|0.061026|0.055610|0.062773|0.087363|0.118308|0.091600|0.084111|0.301386|0.500000| |4.126161|5.293036|7.368052|7.185466|7.201408|6.349787|4.213752|3.693759|3.024339|2.791730|2.999406|3.643994|12.696896|5.393431|4.053843|3.307663|3.248982|3.806901|5.086789|13.518400|6.046861|7.332904|12.452166|0.221431|17.705676|8.938093|12.797876|4.866115|5.600434|4.296367|0.119803|3.279533|5.027391|2.360847|2.100592|2.094633|1.818776|7.286862|0.102189|0.097746|0.119637|0.105085|0.075908|0.067838|0.074994|0.102091|0.105672|0.079009|0.096118|0.185739|0.147064|0.500000| |3.338028|3.931976|5.300928|4.976783|5.161901|4.678964|3.182292|2.806397|2.414231|2.307140|2.504287|2.948486|9.673479|5.079841|3.882546|3.394448|3.556518|4.387741|5.613918|16.045445|6.689872|6.670236|12.309664|0.182358|17.635733|8.760273|10.294927|4.230091|7.092265|4.706306|0.126658|3.721572|5.391941|2.550001|2.197228|2.166094|1.913215|7.234921|0.087978|0.079540|0.097243|0.078390|0.061366|0.057437|0.064865|0.085662|0.096242|0.080289|0.115545|0.202092|0.141436|0.301507|0.500000| |2.983537|3.364973|3.920981|3.819982|4.499182|4.225946|2.944728|2.806810|2.453928|2.274497|2.347589|2.646892|6.987369|3.386861|2.759384|2.434002|2.491313|2.914966|3.518038|9.788488|4.894700|4.146463|7.631400|0.152051|8.966465|17.539159|16.462112|7.277499|4.657660|3.947741|0.121845|3.162630|4.937911|2.345677|2.102951|2.178045|1.821891|6.140109|0.075326|0.074343|0.090259|0.081147|0.064313|0.057301|0.060045|0.072733|0.072207|0.059951|0.078952|0.109751|0.097594|0.222320|0.207560|0.500000| |3.006525|3.223916|3.758283|3.404768|3.970683|3.870861|2.539845|2.397224|2.101547|1.962853|2.040239|2.305078|6.044157|3.104483|2.617890|2.366160|2.437057|2.807888|3.251466|8.610264|4.863172|4.400879|9.051138|0.175561|8.741465|17.514092|16.548828|7.086400|6.560437|5.489975|0.178579|4.276017|6.357204|2.926984|2.533956|2.624648|2.151093|7.579002|0.078041|0.073519|0.093404|0.069527|0.055264|0.049764|0.052751|0.064473|0.068449|0.058834|0.076778|0.116042|0.107873|0.173678|0.212992|0.301948|0.500000| |2.890533|3.049817|3.189889|3.038980|3.900536|3.908245|2.617490|2.660597|2.354433|2.113958|2.093698|2.296787|5.193317|2.522604|2.180882|1.940298|1.936515|2.158464|2.500575|6.410532|3.893660|3.200500|5.522083|0.125327|4.797134|7.167224|16.458085|17.566066|3.552318|3.503530|0.115335|2.864297|4.814694|2.293973|2.148065|2.320072|1.843895|5.723766|0.071416|0.074844|0.090481|0.080494|0.064021|0.053918|0.053139|0.061305|0.059231|0.049207|0.058215|0.081029|0.080653|0.130339|0.111315|0.215992|0.170037|0.500000| |2.849114|2.881821|3.036818|2.767898|3.481342|3.555004|2.288326|2.274432|2.016523|1.838881|1.847548|2.037426|4.700774|2.368142|2.081394|1.883460|1.891864|2.094940|2.374503|5.993601|3.844156|3.245901|5.866623|0.134004|4.691556|7.183089|16.426381|17.547646|4.144833|4.380636|0.157893|3.580416|6.052767|2.814816|2.604057|2.886885|2.181698|6.695060|0.072233|0.072549|0.091476|0.068162|0.054556|0.047098|0.047429|0.055419|0.056306|0.048033|0.056926|0.082037|0.084422|0.116126|0.111008|0.178044|0.210009|0.298992|0.500000| |3.365119|3.335463|3.321915|3.002371|3.916566|4.144717|2.560411|2.613799|2.278495|2.021900|1.998563|2.210696|4.891845|2.394709|2.124889|1.889372|1.855080|2.021479|2.315702|5.710318|3.744425|3.346543|5.775556|0.142246|4.390407|5.847997|16.849493|17.656088|3.766585|4.064356|0.140166|3.231774|5.657838|2.621512|2.499624|2.747072|2.088805|6.901313|0.082015|0.087231|0.111150|0.081045|0.062220|0.051423|0.050540|0.059039|0.058705|0.048455|0.053953|0.081594|0.087591|0.117569|0.099951|0.147119|0.145729|0.299691|0.299473|0.500000| |3.269966|3.434654|4.185176|3.541695|3.980586|3.927368|2.466384|2.251463|1.963307|1.861537|1.978910|2.274053|6.196188|3.411531|2.963841|2.735875|2.828038|3.201646|3.582698|8.817049|5.651869|5.812065|12.244231|0.194589|7.704948|6.894772|9.833515|4.253755|17.658445|8.830005|0.216916|6.682461|8.279171|3.683818|2.955421|2.866062|2.486510|10.320878|0.089649|0.077226|0.100235|0.064435|0.051023|0.047073|0.051657|0.065489|0.076585|0.068019|0.086657|0.160233|0.149731|0.150378|0.221747|0.144231|0.231829|0.102575|0.122446|0.103036|0.500000| |3.784190|3.916003|4.884875|3.875947|4.283769|4.297804|2.580122|2.302984|1.990362|1.896662|2.044078|2.387332|6.539733|3.751173|3.414218|3.165069|3.178962|3.436718|3.767915|8.488255|6.312626|7.861565|12.351910|0.189539|6.032426|4.744174|7.641094|3.372574|17.638392|8.840331|0.173977|6.991305|8.528953|3.816593|3.026873|2.780507|2.561266|12.706572|0.109678|0.086594|0.112657|0.065504|0.051268|0.047707|0.053434|0.069972|0.088889|0.079276|0.089775|0.222318|0.232975|0.134215|0.171230|0.106755|0.137091|0.082724|0.093247|0.086808|0.302387|0.500000| |2.751054|2.648722|2.915711|2.494915|2.998922|3.083300|1.910912|1.793439|1.595877|1.512486|1.581957|1.773246|4.254755|2.372074|2.202173|2.102018|2.143030|2.296015|2.428608|5.701162|4.485807|3.659394|6.127675|0.120495|3.796692|3.872977|6.656368|3.346790|6.769425|8.815727|0.215453|17.498334|16.500919|7.113215|4.698768|4.333932|3.735678|10.128876|0.078063|0.067122|0.085494|0.051805|0.042221|0.038821|0.041632|0.050602|0.058687|0.054481|0.062924|0.097837|0.107663|0.087911|0.103883|0.089920|0.126259|0.080017|0.102166|0.087246|0.195284|0.171300|0.500000| |3.112937|2.927663|3.214582|2.669940|3.195534|3.330481|2.003189|1.854810|1.638862|1.557105|1.642875|1.860598|4.462537|2.530967|2.416301|2.316586|2.317356|2.414786|2.531035|5.713787|4.848725|4.171621|6.339745|0.123019|3.626885|3.400547|5.960917|2.908915|6.934884|8.851300|0.174282|17.497549|16.547007|7.220944|4.717016|3.908042|3.798288|12.605981|0.092402|0.074605|0.095183|0.053399|0.043073|0.039794|0.043244|0.053600|0.064996|0.060663|0.064907|0.111078|0.133255|0.086486|0.099134|0.079678|0.102903|0.070525|0.084237|0.077905|0.166074|0.211956|0.299757|0.500000| |2.296725|2.137481|2.238605|1.956734|2.440045|2.549052|1.588082|1.515832|1.368860|1.298377|1.343713|1.481601|3.314405|1.849544|1.766636|1.707714|1.721952|1.797041|1.866708|4.305180|3.681985|2.625681|4.039576|0.083099|2.591000|2.670328|4.823206|2.588450|3.742494|4.762014|0.127160|7.276810|16.540205|17.503121|8.822135|6.894455|6.840874|7.240860|0.065979|0.058006|0.070597|0.043915|0.036627|0.033660|0.035537|0.041992|0.047919|0.045283|0.049326|0.069918|0.078714|0.063741|0.070292|0.065285|0.082551|0.063293|0.078550|0.070705|0.102627|0.100923|0.214800|0.177852|0.500000| |2.512059|2.289384|2.377190|2.046442|2.554175|2.697868|1.646821|1.559436|1.401541|1.331142|1.385096|1.536851|3.421290|1.926424|1.875223|1.818553|1.808961|1.853159|1.914942|4.318270|3.872564|2.808655|4.118625|0.084460|2.545574|2.511211|4.566217|2.383936|3.781103|4.794386|0.117687|7.244429|16.565513|17.516160|8.820772|5.487835|7.075393|8.067962|0.074445|0.063055|0.076362|0.045101|0.037339|0.034408|0.036632|0.043795|0.051298|0.048682|0.050260|0.074496|0.087600|0.063472|0.068954|0.061287|0.075146|0.058595|0.069873|0.065911|0.097751|0.107669|0.173206|0.217608|0.300764|0.500000| |2.586742|2.261498|2.239639|1.932339|2.483784|2.690648|1.612249|1.559123|1.402343|1.314491|1.346741|1.483591|3.169090|1.739409|1.693385|1.614097|1.579808|1.615061|1.695792|3.840893|3.357814|2.513403|3.686475|0.079679|2.306692|2.339816|4.484784|2.424919|3.110168|4.057709|0.109009|4.876369|13.093370|9.006262|17.514350|8.898318|8.901629|7.552943|0.075425|0.066768|0.080433|0.045792|0.037780|0.034050|0.035371|0.041623|0.047167|0.043390|0.043468|0.064538|0.077747|0.058990|0.060537|0.057612|0.068262|0.059200|0.070475|0.069903|0.079604|0.084100|0.116973|0.126917|0.174670|0.213942|0.500000| |2.533197|2.269755|2.266133|1.974430|2.535039|2.723019|1.655063|1.620879|1.458114|1.355689|1.376430|1.510228|3.261304|1.755394|1.665489|1.569108|1.551552|1.621339|1.728612|4.020555|3.269281|2.523950|3.946767|0.087410|2.552094|2.757290|5.435764|3.096696|3.304916|4.439159|0.136414|4.967738|12.950057|6.865134|8.757426|17.580245|5.475986|7.483289|0.070379|0.065454|0.081089|0.048020|0.039526|0.035134|0.035978|0.041957|0.046024|0.041595|0.043939|0.064313|0.074852|0.064433|0.065841|0.067536|0.082276|0.073616|0.094149|0.090210|0.087906|0.083674|0.129437|0.113742|0.171050|0.139830|0.212497|0.500000| |2.095988|1.926722|1.954502|1.735772|2.221172|2.344860|1.468185|1.433045|1.304083|1.225723|1.248249|1.359447|2.921815|1.596189|1.520110|1.453744|1.454009|1.518741|1.594978|3.712415|3.101636|2.182857|3.365709|0.072009|2.236122|2.404636|4.538135|2.594085|2.860787|3.587960|0.106216|4.298072|10.113202|6.796897|8.777913|17.523999|6.835840|5.831730|0.058733|0.054427|0.065127|0.041976|0.035353|0.031961|0.032896|0.037966|0.041691|0.038662|0.041619|0.057127|0.064116|0.056401|0.059259|0.060068|0.072981|0.063529|0.079829|0.073334|0.078723|0.074313|0.121589|0.102931|0.203627|0.139845|0.173392|0.301160|0.500000| |2.154912|1.933362|1.912616|1.694508|2.201823|2.360779|1.457425|1.433432|1.304402|1.219475|1.234921|1.342297|2.815413|1.528781|1.469517|1.398669|1.381771|1.429149|1.505380|3.470879|2.943259|2.091739|3.149499|0.068554|2.072578|2.199017|4.252732|2.433697|2.582180|3.232723|0.094570|3.645985|8.691107|5.493193|8.799115|17.560933|6.880102|5.652177|0.060528|0.056812|0.067079|0.042256|0.035521|0.031817|0.032457|0.037300|0.040766|0.037440|0.038841|0.054094|0.062075|0.053276|0.054301|0.055209|0.064781|0.059826|0.072668|0.070889|0.069102|0.067628|0.096726|0.090327|0.140502|0.123068|0.213255|0.301676|0.301849|0.500000| |2.029992|1.841813|1.861504|1.646300|2.108007|2.233670|1.388964|1.335113|1.217353|1.157992|1.193269|1.303519|2.762085|1.549485|1.524225|1.487090|1.473910|1.495693|1.534696|3.455904|3.194909|2.091479|3.001196|0.062448|1.935472|1.941213|3.573157|1.934759|2.554183|3.048593|0.080371|3.811072|8.421549|6.938520|8.738469|5.471542|17.545596|5.383624|0.059635|0.052751|0.060780|0.038635|0.032753|0.030209|0.031694|0.036882|0.042091|0.040316|0.040730|0.055670|0.063792|0.049606|0.052365|0.048761|0.057187|0.048496|0.056518|0.054438|0.067598|0.071677|0.099437|0.107653|0.168213|0.212704|0.213056|0.122357|0.139439|0.140705|0.500000| |1.934126|1.747136|1.742862|1.552101|2.009636|2.139106|1.333906|1.297477|1.187315|1.123385|1.147435|1.245796|2.598182|1.439782|1.407627|1.362605|1.348030|1.375116|1.422238|3.229164|2.910808|1.920620|2.789438|0.059011|1.826437|1.870712|3.501056|1.942378|2.316337|2.781336|0.076365|3.299873|7.447099|5.526184|8.797978|6.901640|17.571274|4.926669|0.055843|0.050945|0.058414|0.037779|0.032169|0.029390|0.030403|0.034960|0.039017|0.036866|0.037460|0.050656|0.057772|0.047129|0.048905|0.047308|0.054937|0.048706|0.057027|0.055392|0.061784|0.063349|0.087372|0.088480|0.140083|0.143251|0.212744|0.140820|0.170145|0.206915|0.302083|0.500000| 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