Version2.0 2020-03-05T04:02:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 16-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1c(c(n(n1)c2ccccc2)Oc3ccc(cc3F)F)C[NH+](CCOC)C[C@@H](COC(C)C)O C36302667 RHF 6-31G(d) (6D,7F) CCc1c(c(n(n1)c2ccccc2)Oc3ccc(cc3F)F)C[NH+](CCOC)C[C@@H](COC(C)C)O C01[X(C27H36F2N3O4)] 210 C1 612 COCC[NH+](Cc1c(CC)nn(c1Oc1ccc(cc1F)F)c1ccccc1)C[C@@H](COC(C)C)O COCC[NH+](Cc1c(CC)nn(c1Oc1ccc(cc1F)F)c1ccccc1)C[C@@H](COC(C)C)O CCc1nn(c2ccccc2)c(Oc3ccc(F)cc3F)c1C[NH+](CCOC)C[C@H](O)COC(C)C InChIKey=UDMPGQMHEWYTCY-QFIPXVFZSA-O InChI=1S/C27H35F2N3O4/c1-5-25-23(17-31(13-14-34-4)16-22(33)18-35-19(2)3)27(32(30-25)21-9-7-6-8-10-21)36-26-12-11-20(28)15-24(26)29/h6-12,15,19,22,33H,5,13-14,16-18H2,1-4H3/p+1/t22-/m0/s1 InChI=1/C27H35F2N3O4/c1-5-25-23(17-31(13-14-34-4)16-22(33)18-35-19(2)3)27(32(30-25)21-9-7-6-8-10-21)36-26-12-11-20(28)15-24(26)29/h6-12,15,19,22,33H,5,13-14,16-18H2,1-4H3/p+1/t22-/m0/s1/fC27H36F2N3O4/h31H/q+1 CCc1c(c(n(n1)c2ccccc2)Oc3ccc(cc3F)F)C[NH+](CCOC)C[C@@H](COC(C)C)O C01[X(C27H36F2N3O4)] 210 C01 612 COCC[NH+](Cc1c(CC)nn(c1Oc1ccc(cc1F)F)c1ccccc1)C[C@@H](COC(C)C)O COCC[NH](Cc1c(CC)nn(c1Oc1ccc(cc1F)F)c1ccccc1)C[C@@H](COC(C)C)O CCc1nn(c2ccccc2)c(Oc3ccc(F)cc3F)c1C[NH](CCOC)C[C@H](O)COC(C)C InChIKey=HOEUUIWFAMBMCS-QFIPXVFZSA-N InChI=1S/C27H36F2N3O4/c1-5-25-23(17-31(13-14-34-4)16-22(33)18-35-19(2)3)27(32(30-25)21-9-7-6-8-10-21)36-26-12-11-20(28)15-24(26)29/h6-12,15,19,22,31,33H,5,13-14,16-18H2,1-4H3/t22-/m0/s1 InChI=1/C27H36F2N3O4/c1-5-25-23(17-31(13-14-34-4)16-22(33)18-35-19(2)3)27(32(30-25)21-9-7-6-8-10-21)36-26-12-11-20(28)15-24(26)29/h6-12,15,19,22,31,33H,5,13-14,16-18H2,1-4H3/t22-/m0/s1 4079.9603475077 -1704.8157962 1-A 22484.4481 134 478 612 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973.24 977.61 994.33 1047.45 1093.73 1103.63 1104.52 1150.25 1175.94 1220.01 1235.45 1257.21 1266.74 1284.71 1291.18 1337.29 1348.33 1359.09 1362.51 1393.35 1402.19 1414.41 1463.11 1478.18 1487.33 1496.67 1499.43 1501.40 1520.23 1532.58 1555.83 1558.44 1573.55 1588.43 1618.29 1623.13 1632.43 1638.57 1650.76 1689.65 1707.84 1715.09 1737.07 1747.89 1757.12 1773.95 1780.93 1785.52 1798.89 1802.81 1831.02 1832.77 1841.74 1864.26 1870.65 1872.37 1888.09 1895.73 1898.22 1919.54 1926.38 1945.63 1971.65 1984.83 1997.22 2010.80 2014.71 2020.00 2049.82 2079.80 2083.18 2108.79 2122.81 2132.32 2145.18 2169.26 2175.63 2201.55 2206.98 2233.54 2247.26 2248.31 2249.90 2255.69 2263.28 2271.84 2292.77 2308.57 2320.87 2331.96 2337.81 2343.17 2344.27 2347.53 2353.08 2353.95 2356.63 2360.67 2363.42 2364.91 2373.51 2377.34 2379.09 2385.57 2392.47 2406.48 2409.58 2428.69 2443.69 2457.77 2543.66 2587.18 2600.27 2605.53 2635.03 4582.02 4597.94 4601.87 4616.32 4620.07 4621.49 4630.13 4633.76 4649.11 4660.25 4669.22 4697.20 4711.04 4716.90 4725.70 4726.11 4727.27 4730.41 4736.87 4739.93 4741.91 4756.38 4808.10 4813.98 4831.13 4853.11 4868.62 4872.52 4884.42 4887.81 4914.43 4916.29 4916.74 4922.50 5293.41 5847.07 0.653532 0.688267 0.689211 0.580183 -1704.162265 -1704.127529 -1704.126585 -1704.235613 3.656817D-04 MUNgauss RevisionA2.0 retrievium 05-Mar-2020 DUDE CCc1c(c(n(n1)c2ccccc2)Oc3ccc(cc3F)F)C[NH+](CCOC)C[C@@H](COC(C)C)O C36302667 RHF 6-31G(d) (6D,10F) C1 504.267388 |X|Y|Z| 122.525226 70.946950 49.381563 75.435312 18 6 7 8 15 2 1 |36.858105| |12.420042|36.858105| |7.540443|12.667414|36.858105| |5.536977|7.210630|13.366524|36.858105| |4.286897|5.187118|8.679886|13.867972|36.858105| |4.364006|5.346611|8.959970|8.675741|14.295420|53.358707| |5.746866|7.834187|14.699923|8.502752|8.645680|19.224084|53.358707| |3.412276|3.956378|5.483767|5.297144|7.622359|18.135228|10.799165|36.858105| |3.117267|3.671952|4.691276|4.245904|5.306641|10.728053|9.060537|13.743008|36.858105| |2.575254|2.914826|3.506978|3.277912|3.968659|7.033335|6.161598|7.967594|13.772532|36.858105| |2.345254|2.573319|3.084909|3.002453|3.693696|6.182338|5.202377|6.890699|7.927969|13.743829|36.858105| |2.465760|2.668566|3.284838|3.316523|4.267955|6.989554|5.483596|7.967005|6.871684|7.951237|13.763311|36.858105| |2.931007|3.213394|4.197022|4.332132|6.098462|10.585048|7.239915|13.763747|7.912369|6.872641|7.928473|13.752008|36.858105| |3.347780|3.830170|5.412858|7.737495|14.220669|11.143029|7.473141|6.488591|4.630988|3.741423|3.688368|4.445725|6.229546|73.516695| |3.112796|3.347143|4.387164|6.054199|8.103290|7.641892|5.822410|4.781099|3.606080|3.086256|3.159959|3.863620|5.077588|24.613659|36.858105| |3.226739|3.276774|4.160772|5.301681|6.478976|6.954656|5.575143|4.436944|3.357190|2.919967|3.039269|3.770297|4.906793|13.925949|13.777674|36.858105| |2.785090|2.747180|3.276246|3.978999|4.443866|5.075850|4.336448|3.385174|2.716593|2.446782|2.575495|3.122372|3.761047|9.193843|7.935067|13.748266|36.858105| |2.434605|2.443204|2.860466|3.493008|3.827098|4.342409|3.748854|2.937839|2.429320|2.217621|2.330936|2.767784|3.221747|8.217623|6.931986|8.005200|13.823488|36.858105| |2.376816|2.462996|2.917471|3.663261|4.064913|4.470353|3.803659|3.016144|2.508276|2.279531|2.375512|2.792507|3.251755|9.319178|7.903893|6.849483|7.892401|13.803789|36.858105| |2.641005|2.828740|3.498063|4.628365|5.460349|5.609055|4.567585|3.693199|2.986612|2.647124|2.724547|3.228632|3.914547|14.388703|13.778021|7.989255|6.915576|8.073327|13.846519|36.858105| |2.468069|2.718982|3.325764|4.341115|5.007756|5.250356|4.337277|3.504831|2.940750|2.617193|2.651742|3.043227|3.588032|12.768611|8.167234|5.307892|4.668442|5.330260|8.167822|14.363920|97.533100| |2.156692|2.132414|2.419914|2.851261|3.035120|3.574099|3.175535|2.459211|2.090824|1.940888|2.044452|2.383999|2.683617|6.224632|4.682847|5.315520|8.180873|14.432762|8.206383|5.349037|9.212984|97.533100| |4.895069|5.774057|7.254457|12.809229|7.407432|7.114286|7.044008|3.807577|3.217364|2.635133|2.470351|2.711552|3.360074|10.717363|5.570685|4.859060|3.952970|3.648059|3.901748|4.777719|10.238961|6.768421|36.858105| |3.933196|4.836844|5.507085|7.550644|5.503263|5.785186|5.778602|3.313602|2.949919|2.457919|2.280752|2.438870|2.915759|8.733391|4.397351|3.705194|3.167394|3.087834|3.441297|4.167234|9.920665|5.906098|12.487203|53.358707| |4.238896|5.595644|6.001191|7.195634|5.153441|5.798694|6.138804|3.317205|3.040016|2.510177|2.283515|2.396434|2.842304|7.771382|3.795257|3.290736|2.814095|2.704655|2.953589|3.520822|8.343639|5.249123|9.283394|25.662182|0.500000| |3.176039|3.869260|4.630386|6.226634|5.532151|5.783912|5.377112|3.463561|3.097286|2.604159|2.427590|2.594249|3.077686|9.807447|4.691608|3.675567|3.125383|3.139473|3.688016|4.694166|12.523630|5.948358|7.547918|17.325475|0.262343|36.858105| |2.754909|3.351998|3.743429|4.423016|4.042901|4.671390|4.507802|2.950996|2.782291|2.396016|2.210733|2.294235|2.623163|7.100351|3.463897|2.854722|2.508811|2.541404|2.933599|3.525774|9.430825|4.983494|4.960822|10.451658|0.209261|12.531372|36.858105| |3.008337|3.821414|4.090430|4.474343|3.929848|4.769810|4.861539|2.984418|2.897997|2.463857|2.217772|2.257700|2.574293|6.449366|3.094113|2.640504|2.306567|2.278522|2.543337|3.009717|7.623073|4.503163|4.758095|9.634720|0.242009|8.156025|13.697090|73.516695| |2.572870|3.171970|3.273107|3.410407|3.114446|3.951357|4.056210|2.582464|2.590099|2.264408|2.035018|2.032904|2.255807|5.204961|2.548496|2.222445|1.977782|1.963965|2.172721|2.506637|6.321676|3.949831|3.529654|6.379309|0.151427|5.224094|8.063505|24.060700|36.858105| |3.417821|3.872260|4.028508|4.972981|3.942906|4.385874|4.421548|2.643541|2.394254|2.059164|1.939586|2.066659|2.405320|6.607925|3.599433|3.174851|2.879059|2.890562|3.191248|3.610341|8.532665|5.718998|7.635070|17.212915|0.258308|7.598966|6.189818|9.909701|4.156051|36.858105| |3.455664|3.897528|3.707882|4.126507|3.285404|3.875885|4.082296|2.372350|2.209102|1.912370|1.782891|1.866855|2.139060|5.350790|2.875202|2.629510|2.408513|2.382848|2.555479|2.825418|6.598676|4.826898|5.521166|10.423958|0.221275|5.272059|5.097277|9.469720|4.270418|12.526419|36.858105| |3.161837|3.680051|3.513118|3.812031|3.122777|3.754747|3.958906|2.330953|2.210266|1.919280|1.775074|1.837200|2.086301|5.108356|2.684106|2.426047|2.211046|2.194876|2.375277|2.647745|6.326126|4.453297|4.735979|9.318994|0.216961|5.298796|5.804168|11.611217|5.356066|8.891041|17.533057|0.500000| |2.919217|3.100506|2.929482|3.201533|2.668659|3.205445|3.343995|2.015697|1.885602|1.664508|1.570681|1.644609|1.856437|4.462785|2.474425|2.315818|2.190277|2.197402|2.328201|2.481937|5.740073|4.566474|4.092607|6.738449|0.135735|3.890139|3.840625|6.866043|3.374849|7.536477|12.521348|0.248404|36.858105| |2.838296|2.987523|2.716566|2.836473|2.385885|2.949557|3.136734|1.874461|1.781402|1.580633|1.483005|1.536456|1.718487|3.941883|2.162108|2.050324|1.937844|1.922563|2.011075|2.138785|4.922604|4.025667|3.418290|5.411245|0.115520|3.229486|3.288051|6.193086|3.196732|5.163435|8.231441|0.206023|13.711805|73.516695| |2.463226|2.513090|2.297810|2.382406|2.053357|2.566163|2.711520|1.657227|1.579537|1.418872|1.341414|1.388883|1.538259|3.434474|1.910094|1.836735|1.765544|1.760037|1.822512|1.902253|4.346131|3.745618|2.801150|4.238806|0.088581|2.636954|2.673050|4.936825|2.616254|3.883765|5.204789|0.133819|7.926472|23.798436|36.858105| |2.436319|2.457376|2.191764|2.205715|1.910285|2.434941|2.609765|1.582712|1.524464|1.373871|1.293160|1.328982|1.463638|3.162588|1.745068|1.693725|1.622352|1.599165|1.640455|1.715515|3.897344|3.408488|2.505947|3.702487|0.079188|2.326348|2.365942|4.483642|2.423305|3.182911|4.149075|0.110854|5.231163|14.377601|12.542481|36.858105| |2.095023|2.163143|2.027473|2.120762|1.869337|2.338491|2.435488|1.530997|1.466024|1.328985|1.261731|1.303182|1.431282|3.181867|1.772797|1.691116|1.636458|1.653889|1.728857|1.794049|4.152969|3.544599|2.464678|3.787335|0.078205|2.463240|2.564783|4.645560|2.528678|3.442762|4.310299|0.117642|6.182707|13.931525|12.505453|7.538166|36.858105| |4.479156|5.052882|4.407972|4.629644|3.502955|4.214006|4.640732|2.525086|2.350005|2.009387|1.857118|1.941574|2.243127|5.442253|2.896071|2.719121|2.457444|2.359701|2.466416|2.734380|6.192060|4.761550|6.008040|9.569064|0.225290|4.643788|4.272821|8.449019|3.844991|8.157887|13.614214|0.259211|7.923341|12.559471|4.785327|4.196495|3.739251|73.516695| |17.579808|8.790696|6.855189|5.022995|4.216852|6.172752|8.192455|3.633075|3.306861|2.739181|2.502637|2.637847|3.136838|5.881873|3.085982|3.286473|2.825524|2.424586|2.332987|2.580245|5.360804|4.838717|4.223397|4.625226|0.099599|2.873904|2.499210|4.785318|2.335612|2.951080|2.920614|0.075303|2.519582|4.348381|2.164463|2.146120|1.874124|6.386187|0.500000| |17.568423|8.799498|5.504930|4.323081|3.478753|4.825064|6.119651|2.903222|2.732049|2.311104|2.106816|2.184346|2.530740|5.032087|2.658680|2.740225|2.430875|2.164861|2.118096|2.318792|4.937125|4.389685|4.052443|4.733416|0.105374|2.834408|2.540084|4.986068|2.458341|3.155188|3.336048|0.085447|2.891079|5.166062|2.549716|2.589780|2.142487|7.788209|0.301328|0.500000| |17.542025|8.726062|6.773851|5.807538|4.373575|5.682072|6.887538|3.249664|2.889334|2.413813|2.243952|2.402798|2.873340|6.193690|3.357609|3.544672|3.091153|2.684950|2.592416|2.852017|5.896358|5.339808|5.592109|5.749305|0.121339|3.310931|2.801594|5.290881|2.513928|3.760301|3.714632|0.091136|3.166109|5.343362|2.610137|2.531877|2.201190|8.600366|0.301450|0.301799|0.500000| |8.834892|17.555754|8.920373|6.664304|4.669310|6.132579|7.984928|3.439350|3.226738|2.619360|2.331621|2.410662|2.858481|6.412345|3.187617|3.050456|2.606502|2.374270|2.429022|2.780566|6.133955|4.690572|6.201699|7.712190|0.196470|4.245056|3.745960|7.851128|3.594497|4.573276|4.857983|0.127026|3.680253|6.336440|2.895642|2.815185|2.450436|12.172675|0.173122|0.213132|0.209504|0.500000| |8.846859|17.591969|9.060133|5.545340|4.479586|6.754395|10.205080|3.899414|3.832585|3.045334|2.623568|2.647687|3.117472|6.070494|2.956185|2.886782|2.446257|2.192341|2.214781|2.529708|5.540329|4.347578|4.471344|5.474747|0.130070|3.419089|3.095291|6.409101|3.112029|3.297974|3.384931|0.091924|2.756209|4.832724|2.318664|2.309597|2.020328|7.497838|0.211880|0.212825|0.172594|0.303231|0.500000| |3.333266|4.097475|5.112852|4.350104|5.052986|9.913864|9.974901|8.934660|17.764375|8.896418|5.637548|4.955077|5.644847|7.493670|3.299679|3.059065|2.506284|2.261841|2.344812|2.778950|6.245247|4.411914|3.290026|4.192155|0.090693|3.189888|2.924528|5.607697|2.834543|2.481737|2.330244|0.065414|1.969055|3.335840|1.652741|1.604446|1.528027|4.452160|0.096919|0.081701|0.083761|0.099683|0.123845|0.500000| |2.388619|2.701844|3.129890|2.889248|3.351578|5.706750|5.326861|5.663998|8.950519|17.729313|8.909518|5.650811|4.952771|5.606865|2.653302|2.515685|2.152905|1.975541|2.033496|2.330187|5.246137|3.940976|2.378253|3.079012|0.064837|2.389922|2.254296|4.173482|2.204227|1.918923|1.807822|0.050806|1.581901|2.694373|1.365108|1.329996|1.282853|3.372623|0.070172|0.060560|0.061748|0.068175|0.079878|0.214934|0.500000| |2.083116|2.257408|2.631958|2.568668|3.064812|4.921557|4.298949|4.962172|5.642977|8.909643|17.730028|8.918510|5.642980|5.506914|2.737556|2.654159|2.313759|2.122771|2.158004|2.425710|5.344655|4.257198|2.171288|2.761519|0.056424|2.158553|1.996438|3.554958|1.861984|1.754410|1.623958|0.045028|1.445477|2.436982|1.248442|1.206813|1.180265|2.991963|0.061558|0.052675|0.055518|0.057430|0.064142|0.123986|0.214640|0.500000| |2.238863|2.374669|2.860050|2.937031|3.683043|5.666504|4.587409|5.664792|4.952260|5.649673|8.914380|17.729126|8.944474|7.056823|3.665032|3.664400|3.146187|2.809455|2.799243|3.146935|6.595652|5.510945|2.480443|3.043264|0.060475|2.376073|2.108420|3.648214|1.858838|1.929758|1.740863|0.047426|1.551891|2.574482|1.318608|1.259894|1.242363|3.197523|0.066377|0.055552|0.061342|0.060219|0.064970|0.107576|0.124140|0.214779|0.500000| |2.955437|3.157786|4.123874|4.494250|6.414201|9.644035|6.674675|8.894123|5.632193|4.956007|5.651420|8.939430|17.768622|12.654787|6.351436|6.495779|4.720429|3.876917|3.822632|4.610997|8.955548|7.064285|3.561142|4.085597|0.079476|3.141267|2.614623|4.477943|2.185983|2.496375|2.185623|0.058470|1.907345|3.109485|1.569236|1.483269|1.458210|4.060524|0.087555|0.070445|0.082635|0.078577|0.082831|0.124114|0.107592|0.124315|0.216445|0.500000| |3.622536|3.607066|4.656997|5.594641|6.892165|8.035714|6.447044|5.041255|3.701517|3.168169|3.279177|4.104232|5.552518|12.591707|8.935723|17.738036|8.926618|5.677894|4.941385|5.669957|9.610726|9.616281|4.726608|4.819004|0.090051|3.417601|2.705464|4.582388|2.180962|3.001150|2.558443|0.065749|2.243563|3.586522|1.807516|1.687506|1.650806|4.830772|0.105892|0.083768|0.109550|0.090154|0.088273|0.092969|0.075047|0.078503|0.108687|0.208126|0.500000| |2.718132|2.603752|3.020950|3.505834|3.805750|4.565937|4.025632|3.091743|2.526373|2.302618|2.432579|2.923518|3.437695|7.406750|5.636397|8.869144|17.757676|8.957916|5.640131|4.977461|8.317629|16.690543|3.460162|3.808383|0.070369|2.709875|2.230060|3.706980|1.810338|2.587890|2.222627|0.056653|2.049753|3.264334|1.690777|1.566672|1.562818|4.080617|0.077752|0.066431|0.083958|0.068141|0.064841|0.064949|0.056671|0.061296|0.082707|0.117660|0.213658|0.500000| |2.133404|2.214385|2.565602|3.147494|3.409180|3.849313|3.342560|2.634936|2.251292|2.073151|2.156544|2.485972|2.813642|7.546810|5.632516|4.943129|5.624153|8.886501|17.760349|8.923848|16.570706|16.608302|3.407498|4.296729|0.075698|3.435596|2.827636|4.308099|2.099711|3.025124|2.440441|0.063467|2.263032|3.470321|1.783270|1.597003|1.714099|4.109693|0.057879|0.053558|0.064240|0.061372|0.055821|0.058942|0.051998|0.055118|0.069585|0.089190|0.107384|0.124126|0.500000| |4.064178|4.454655|5.497811|8.878404|6.834329|6.426246|5.951300|3.608632|2.999483|2.513336|2.416621|2.704757|3.343297|11.519378|6.831631|5.787752|4.763276|4.491035|4.899282|6.061399|12.305958|8.063849|17.635211|12.386561|0.182085|6.997170|4.561506|7.280471|3.146341|6.987884|4.798277|0.114427|3.829954|5.587405|2.646531|2.340171|2.370066|8.629971|0.101710|0.095599|0.130638|0.128287|0.100725|0.082901|0.062693|0.059316|0.069918|0.101722|0.144978|0.111400|0.115685|0.500000| |5.769666|6.302039|6.736692|8.948279|5.628279|6.053114|6.417803|3.344066|2.895008|2.404705|2.254431|2.450085|2.976316|8.226818|4.477474|4.241992|3.622080|3.316114|3.411179|3.925395|8.300645|6.353532|17.672478|12.477097|0.223530|5.606432|4.189473|7.474709|3.249974|7.447702|6.044625|0.135529|4.530890|6.773438|3.099102|2.778589|2.639195|13.228844|0.130339|0.132920|0.198815|0.196721|0.129916|0.083010|0.060985|0.055574|0.062725|0.087255|0.118154|0.091415|0.084090|0.301538|0.500000| |3.306214|4.133893|5.339137|7.392463|7.217279|7.268200|6.417531|4.250965|3.731530|3.049628|2.809652|3.014822|3.663657|12.668191|5.337762|4.027456|3.282010|3.215554|3.755253|5.004629|13.234758|5.991128|7.315454|12.454347|0.221794|17.707784|8.942102|12.810552|4.869255|5.600474|4.298331|0.120147|3.281715|5.031793|2.355164|2.127095|2.192818|7.265947|0.084661|0.080491|0.093895|0.120663|0.102560|0.106312|0.076538|0.068222|0.075269|0.102380|0.105388|0.078533|0.094803|0.184211|0.147030|0.500000| |2.869778|3.331989|3.951692|5.330491|5.032704|5.214381|4.714695|3.216879|2.835448|2.437730|2.328971|2.528346|2.978674|9.824903|5.106689|3.888284|3.386685|3.539402|4.364186|5.616033|16.137387|6.650783|6.674462|12.308528|0.182336|17.636151|8.758676|10.293727|4.229779|7.085463|4.704635|0.126709|3.724071|5.394250|2.536996|2.212126|2.403528|7.219970|0.073169|0.071444|0.084656|0.099328|0.082007|0.079154|0.061923|0.057941|0.065436|0.086463|0.096526|0.080099|0.114710|0.201660|0.141299|0.301502|0.500000| |2.476861|2.977031|3.373927|3.921136|3.825284|4.516870|4.245416|2.960675|2.826105|2.470683|2.287916|2.359091|2.658570|6.992017|3.374526|2.751591|2.423587|2.475654|2.891129|3.491251|9.684647|4.863457|4.142921|7.630431|0.151951|8.967909|17.538535|16.462975|7.277239|4.661844|3.952857|0.122157|3.172988|4.949338|2.335114|2.095607|2.274720|6.126833|0.063669|0.063498|0.069412|0.089523|0.077959|0.081743|0.064771|0.057628|0.060296|0.072949|0.072138|0.059736|0.078196|0.109489|0.097597|0.222366|0.207641|0.500000| |2.537500|2.988691|3.223572|3.756947|3.410898|3.979587|3.876743|2.548614|2.406118|2.109985|1.970828|2.048216|2.313375|6.065925|3.105964|2.617043|2.362388|2.430998|2.800745|3.248370|8.610721|4.848526|4.400130|9.050095|0.175331|8.739875|17.514437|16.548601|7.086757|6.571832|5.502231|0.178949|4.299687|6.378685|2.907336|2.510947|2.854359|7.568111|0.063789|0.065983|0.072512|0.093500|0.076592|0.069757|0.055483|0.049965|0.052951|0.064676|0.068474|0.058739|0.076531|0.116049|0.107886|0.173695|0.212827|0.301970|0.500000| |2.677373|3.340456|3.321835|3.306039|2.984223|3.892474|4.124401|2.545417|2.597367|2.265883|2.012071|1.989286|2.199721|4.864465|2.382332|2.116528|1.882388|1.847241|2.011092|2.302118|5.669321|3.730046|3.341802|5.773122|0.142081|4.390665|5.848127|16.850532|17.656129|3.769442|4.070517|0.140825|3.242228|5.675274|2.616996|2.488801|2.493073|6.879189|0.067259|0.072029|0.071341|0.106073|0.093427|0.080473|0.061882|0.051194|0.050330|0.058771|0.058515|0.048306|0.053668|0.081474|0.087650|0.117649|0.099946|0.147117|0.145733|0.500000| |2.360070|2.879672|3.047732|3.180494|3.027095|3.890915|3.906670|2.612619|2.657950|2.353018|2.111947|2.090525|2.292228|5.168993|2.509026|2.172208|1.932006|1.926055|2.143857|2.482523|6.350375|3.873510|3.196429|5.520096|0.125206|4.797262|7.166927|16.458446|17.565606|3.555061|3.508508|0.115731|2.874243|4.828563|2.286722|2.131234|2.234391|5.709252|0.060583|0.062312|0.063896|0.087704|0.079395|0.080451|0.064020|0.053880|0.053056|0.061160|0.059070|0.049032|0.057784|0.080870|0.080680|0.130404|0.111320|0.215975|0.170047|0.299682|0.500000| |2.367111|2.828932|2.874442|3.028122|2.760439|3.472742|3.547261|2.284354|2.270506|2.014148|1.837327|1.845965|2.034942|4.691964|2.361908|2.076881|1.878860|1.886171|2.087506|2.366151|5.968553|3.832699|3.243332|5.864979|0.133831|4.691551|7.183006|16.426850|17.547315|4.149730|4.390529|0.158501|3.599999|6.079450|2.801591|2.558690|2.777945|6.682314|0.059628|0.063497|0.065069|0.089336|0.076387|0.068011|0.054496|0.047069|0.047399|0.055353|0.056218|0.047930|0.056706|0.081992|0.084466|0.116177|0.110983|0.178030|0.210019|0.299475|0.298996|0.500000| |2.881247|3.241785|3.429389|4.188350|3.556729|3.991892|3.929263|2.475839|2.259006|1.970465|1.869230|1.987876|2.284316|6.246724|3.431357|2.972509|2.739912|2.833344|3.214887|3.607273|8.911275|5.655674|5.817705|12.245805|0.194423|7.710860|6.907130|9.843200|4.257808|17.658907|8.830674|0.216410|6.703595|8.289059|3.651397|2.961619|3.428808|10.317836|0.070882|0.074535|0.086562|0.103117|0.079134|0.064596|0.051191|0.047263|0.051898|0.065794|0.076765|0.068048|0.087025|0.160906|0.149554|0.150447|0.221634|0.144444|0.232415|0.103103|0.102670|0.122580|0.500000| |3.486372|3.745176|3.902365|4.885925|3.889859|4.289703|4.291695|2.585636|2.306542|1.994006|1.901142|2.049910|2.394299|6.589757|3.776151|3.426325|3.172777|3.190444|3.458297|3.799360|8.579020|6.327550|7.871387|12.350498|0.189582|6.028557|4.746614|7.644808|3.374794|17.639142|8.846524|0.174002|6.978559|8.531913|3.805000|3.107666|3.324159|12.751222|0.083952|0.088833|0.110874|0.119036|0.087401|0.065554|0.051346|0.047818|0.053599|0.070205|0.089090|0.079350|0.090361|0.224106|0.232189|0.134088|0.170946|0.106785|0.137235|0.086859|0.082761|0.093337|0.302388|0.500000| |2.544522|2.718439|2.637470|2.913512|2.499894|2.999682|3.075273|1.913426|1.795028|1.598167|1.515703|1.585951|1.777252|4.278905|2.383619|2.207243|2.105841|2.150418|2.309967|2.445849|5.759094|4.498182|3.661146|6.144757|0.120801|3.815025|3.904559|6.705979|3.373914|6.791426|8.843347|0.216128|17.528515|16.429980|6.868151|4.568291|6.611132|10.144002|0.062232|0.069523|0.075938|0.087540|0.068141|0.051803|0.042270|0.038909|0.041753|0.050730|0.058745|0.054505|0.063384|0.098166|0.107399|0.088246|0.104266|0.090577|0.127657|0.087841|0.080599|0.103197|0.196687|0.171113|0.500000| |2.985032|3.056805|2.898995|3.198168|2.665304|3.182896|3.305163|1.997916|1.848975|1.635044|1.554966|1.641496|1.858271|4.474519|2.538784|2.417923|2.319405|2.326277|2.430306|2.546868|5.762974|4.867367|4.157052|6.330131|0.122750|3.629255|3.410357|5.971961|2.916743|6.941097|8.851243|0.174296|17.499946|16.547399|7.204950|4.893266|5.476645|12.597487|0.071706|0.081852|0.092476|0.098712|0.074536|0.053173|0.042963|0.039751|0.043236|0.053564|0.064905|0.060648|0.065437|0.111239|0.132198|0.086458|0.099202|0.079892|0.103418|0.078049|0.070697|0.084589|0.166884|0.211717|0.299877|0.500000| |2.489692|2.481994|2.282914|2.387801|2.058596|2.558739|2.690507|1.649932|1.559323|1.401881|1.333489|1.389660|1.542525|3.456532|1.950109|1.894640|1.840022|1.836070|1.884885|1.945383|4.392758|3.932014|2.837123|4.165973|0.085141|2.574178|2.538236|4.600959|2.398302|3.849687|4.869526|0.118713|7.452979|16.588470|17.510465|8.899856|8.869544|8.156950|0.060926|0.071322|0.074660|0.078439|0.062947|0.045017|0.037309|0.034466|0.036785|0.044025|0.051678|0.049174|0.051212|0.075617|0.088364|0.064051|0.069827|0.061889|0.076132|0.066144|0.058942|0.070376|0.099649|0.109963|0.177107|0.227716|0.500000| |2.356566|2.426365|2.161745|2.157232|1.877447|2.409770|2.590092|1.573273|1.529005|1.379573|1.291991|1.319218|1.447711|3.104087|1.694666|1.633150|1.554237|1.531976|1.580627|1.664630|3.813481|3.254006|2.416269|3.630118|0.078906|2.313351|2.406029|4.640287|2.566442|3.059069|4.010738|0.112914|4.766510|12.931489|8.851164|17.564334|6.854599|7.140101|0.057846|0.069595|0.066861|0.077490|0.064263|0.044959|0.037277|0.033531|0.034650|0.040492|0.045265|0.041567|0.042779|0.062214|0.073300|0.058928|0.060504|0.059352|0.070929|0.074177|0.062332|0.075918|0.079905|0.080829|0.119202|0.117741|0.173846|0.500000| |2.190436|2.181548|1.965152|1.978621|1.737003|2.223759|2.369054|1.458922|1.406759|1.277240|1.208270|1.241574|1.359414|2.898232|1.610368|1.572738|1.519891|1.502611|1.534034|1.589511|3.600073|3.230705|2.225738|3.239759|0.068473|2.072800|2.101776|3.933850|2.141525|2.753278|3.413073|0.091251|4.237437|10.233238|8.848637|17.572956|6.858652|6.095472|0.054360|0.064638|0.063265|0.068069|0.057303|0.040934|0.034403|0.031453|0.032842|0.038321|0.043500|0.040994|0.041661|0.058515|0.068012|0.053017|0.055352|0.052406|0.061894|0.060839|0.053089|0.062752|0.072243|0.075773|0.107568|0.114626|0.212462|0.300803|0.500000| |2.729086|2.703241|2.355439|2.338118|2.003148|2.564410|2.781765|1.655816|1.591975|1.427958|1.340764|1.379142|1.525085|3.276809|1.805807|1.766906|1.685661|1.644207|1.673412|1.754435|3.948464|3.492955|2.644350|3.820410|0.082367|2.356897|2.354466|4.503412|2.399578|3.224119|4.200598|0.109387|5.005623|13.044103|8.840775|17.571125|5.493704|8.142167|0.066028|0.082145|0.078851|0.086443|0.070270|0.046651|0.038339|0.034665|0.036234|0.042938|0.049293|0.045398|0.044890|0.067860|0.083083|0.060406|0.061843|0.057804|0.068219|0.069071|0.058646|0.069028|0.081164|0.088483|0.116030|0.135049|0.214486|0.300679|0.301065|0.500000| 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