Version2.1 2021-01-08T03:02:56Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC[NH+](Cc1c(nn(c1Oc2ccccc2F)c3ccccc3)CC)C[C@@H](CCC=C)O C36316472 RHF 6-31G(d) (6D,7F) CCC[NH+](Cc1c(nn(c1Oc2ccccc2F)c3ccccc3)CC)C[C@@H](CCC=C)O C01[X(C27H35F1N3O2)] 198 C1 565 C=CCC[C@H](C[NH+](Cc1c(CC)nn(c1Oc1ccccc1F)c1ccccc1)CCC)O C=CCC[C@H](C[NH+](Cc1c(CC)nn(c1Oc1ccccc1F)c1ccccc1)CCC)O CCC[NH+](C[C@H](O)CCC=C)Cc1c(CC)nn(c2ccccc2)c1Oc3ccccc3F InChIKey=SEZOTZIIFBDAHH-JOCHJYFZSA-O InChI=1S/C27H34FN3O2/c1-4-7-15-22(32)19-30(18-5-2)20-23-25(6-3)29-31(21-13-9-8-10-14-21)27(23)33-26-17-12-11-16-24(26)28/h4,8-14,16-17,22,32H,1,5-7,15,18-20H2,2-3H3/p+1/t22-/m1/s1 InChI=1/C27H34FN3O2/c1-4-7-15-22(32)19-30(18-5-2)20-23-25(6-3)29-31(21-13-9-8-10-14-21)27(23)33-26-17-12-11-16-24(26)28/h4,8-14,16-17,22,32H,1,5-7,15,18-20H2,2-3H3/p+1/t22-/m1/s1/fC27H35FN3O2/h30H/q+1 CCC[NH+](Cc1c(nn(c1Oc2ccccc2F)c3ccccc3)CC)C[C@@H](CCC=C)O C01[X(C27H35F1N3O2)] 198 C01 565 C=CCC[C@H](C[NH+](Cc1c(CC)nn(c1Oc1ccccc1F)c1ccccc1)CCC)O C=CCC[C@H](C[NH](C[C]1[C]([N][N@@]([C]1O[C]1[CH][CH][CH][CH][C]1F)[C]1[CH][CH][CH][CH][CH]1)CC)CCC)O CCC[NH](C[C]1[C](CC)[N]N([C]2[CH][CH][CH][CH][CH]2)[C]1O[C]3[CH][CH][CH][CH][C]3F)C[C@H](O)CCC=C InChIKey=PYKYMDITMLJOCB-JOCHJYFZSA-N InChI=1S/C27H35FN3O2/c1-4-7-15-22(32)19-30(18-5-2)20-23-25(6-3)29-31(21-13-9-8-10-14-21)27(23)33-26-17-12-11-16-24(26)28/h4,8-14,16-17,22,30,32H,1,5-7,15,18-20H2,2-3H3/t22-/m1/s1 InChI=1/C27H35FN3O2/c1-4-7-15-22(32)19-30(18-5-2)20-23-25(6-3)29-31(21-13-9-8-10-14-21)27(23)33-26-17-12-11-16-24(26)28/h4,8-14,16-17,22,30,32H,1,5-7,15,18-20H2,2-3H3/t22-/m1/s1 3536.0908673552 -1455.0786324 1-A 15807.9284 121 444 565 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.42150 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 5.3112 14.5609 23.2495 30.8127 33.8716 35.3664 41.7155 47.5430 50.9102 56.9864 61.3567 67.2636 75.9194 92.6240 95.3537 109.1927 118.6378 139.1442 149.0359 167.1840 186.1180 209.2179 215.3193 222.8625 245.5653 256.2104 270.3843 282.4806 293.5820 297.4271 321.2250 338.2692 343.0638 357.6550 369.5570 386.8207 416.9632 448.8409 457.1030 465.3212 491.6173 502.8843 508.7276 517.2508 531.6120 547.0247 559.1240 574.9811 604.6772 607.8436 637.0058 670.1718 678.6849 684.9498 712.9993 730.7241 767.4502 768.1676 778.7738 809.3671 820.7214 844.1350 845.7044 858.9047 861.5069 875.4536 882.4286 893.2208 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267.78 301.02 309.80 320.65 353.31 368.63 389.02 406.43 422.40 427.93 462.17 486.69 493.59 514.59 531.71 556.55 599.92 645.78 657.67 669.49 707.33 723.54 731.95 744.21 764.87 787.05 804.45 827.27 870.00 874.55 916.51 964.23 976.48 985.49 1025.85 1051.35 1104.19 1105.22 1120.48 1164.50 1180.83 1214.52 1216.78 1235.77 1239.52 1259.58 1269.62 1285.15 1322.89 1362.72 1364.34 1375.23 1407.47 1411.50 1417.00 1453.62 1464.19 1500.95 1503.21 1519.84 1536.94 1553.38 1556.30 1573.29 1576.91 1589.37 1598.31 1614.94 1615.13 1619.78 1628.03 1630.72 1633.81 1640.85 1676.36 1684.80 1706.18 1710.11 1731.16 1743.66 1756.33 1757.23 1764.12 1795.35 1803.12 1832.63 1854.59 1872.69 1888.18 1913.98 1919.42 1929.73 1942.34 1946.29 1978.83 2002.68 2010.90 2030.60 2037.39 2038.30 2067.91 2078.97 2088.96 2102.57 2103.59 2129.39 2137.04 2141.35 2146.46 2191.85 2216.88 2234.54 2243.91 2250.58 2254.53 2262.02 2273.18 2288.35 2298.77 2331.26 2332.54 2336.08 2338.25 2343.62 2350.93 2354.53 2358.90 2359.46 2363.08 2366.57 2372.84 2379.16 2386.56 2392.77 2409.04 2429.03 2456.81 2546.48 2587.13 2599.45 2599.82 2606.65 2706.23 4580.11 4591.65 4616.75 4617.46 4618.23 4627.15 4629.69 4640.91 4689.12 4691.01 4698.37 4699.25 4725.08 4726.82 4743.82 4745.25 4748.15 4757.93 4784.98 4798.16 4802.27 4836.82 4854.22 4867.42 4869.50 4871.55 4881.68 4888.35 4895.88 4908.51 4912.63 4915.02 4915.73 5313.66 5917.04 0.626031 0.657676 0.658620 0.556275 -1454.452602 -1454.420956 -1454.420012 -1454.522357 3.432668D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE CCC[NH+](Cc1c(nn(c1Oc2ccccc2F)c3ccccc3)CC)C[C@@H](CCC=C)O C36316472 RHF 6-31G(d) (6D,10F) C1 452.271331 |X|Y|Z| 82.651405 74.176944 58.944230 71.228450 18 6 7 8 15 2 1 |36.858105| |12.443967|36.858105| |7.589392|12.486254|36.858105| |4.919126|7.488995|12.650619|53.358707| |4.749073|7.213692|9.406817|25.703834|0.500000| |4.187289|6.114090|7.558384|17.115618|0.256529|36.858105| |3.235139|4.341680|4.962088|10.359027|0.200232|12.789513|36.858105| |2.948699|3.863039|4.051320|7.609577|0.169264|7.265461|13.379434|36.858105| |2.465986|3.075017|3.261201|5.834277|0.126550|5.175288|8.502329|14.697406|53.358707| |2.365885|2.911343|3.221703|5.809537|0.118737|5.222117|8.679799|8.969278|19.241554|53.358707| |2.689089|3.387289|3.925392|7.490819|0.142813|7.390956|13.875141|8.684036|11.761659|19.439528|36.858105| |2.529796|3.081300|3.683976|6.640441|0.120530|6.013599|7.743880|5.417644|7.475524|11.143320|14.241713|73.516695| |2.509249|2.996879|3.536810|5.907604|0.104261|5.527856|6.036928|4.380398|5.815733|7.636864|8.090538|24.587757|36.858105| |2.380216|2.815040|3.148507|5.040133|0.091391|4.885723|5.342194|4.180996|5.584541|6.954690|6.505311|13.915672|13.783720|36.858105| |2.256661|2.585828|2.844587|4.295011|0.077948|3.957276|3.989787|3.280245|4.334730|5.072421|4.450382|9.203057|7.964415|13.732144|36.858105| |2.241706|2.512468|2.820554|4.135671|0.074131|3.607746|3.469711|2.844863|3.731451|4.324124|3.806621|8.176870|6.883345|7.920606|13.758537|36.858105| |2.348837|2.639448|3.089966|4.576334|0.080528|3.843460|3.639038|2.904670|3.797070|4.472349|4.058016|9.337786|7.922039|6.847129|7.932718|13.738420|36.858105| |2.491855|2.888327|3.495708|5.518582|0.095688|4.688042|4.585472|3.479073|4.557607|5.610802|5.442648|14.427929|13.783118|7.972415|6.932098|8.005140|13.850175|36.858105| |2.519829|2.896933|3.638246|5.767393|0.099802|4.439658|4.289542|3.303901|4.331436|5.263989|4.994995|12.850881|8.172142|5.302634|4.672357|5.294285|8.129919|14.329450|97.533100| |2.019863|2.401237|2.641036|4.516358|0.092216|3.803835|5.297191|5.483947|10.797288|18.129765|7.620497|11.537759|4.791192|4.432519|3.385549|2.934972|3.031027|3.713656|7.957917|36.858105| |1.878991|2.205184|2.396323|4.022417|0.084540|3.212634|4.239947|4.682749|9.045588|10.724050|5.301539|8.235320|3.611634|3.354821|2.716955|2.427783|2.519336|3.000852|6.672471|13.743628|36.858105| |1.658510|1.906043|2.059644|3.347851|0.069736|2.632049|3.275074|3.502835|6.155564|7.031939|3.966795|6.653904|3.093320|2.917527|2.448125|2.219853|2.293834|2.664313|5.950927|7.967907|13.772389|36.858105| |1.570199|1.788654|1.937356|3.103669|0.063392|2.468741|3.002606|3.084419|5.201104|6.182695|3.694406|6.560777|3.170963|3.036235|2.578447|2.337624|2.396620|2.748942|6.045980|6.892438|7.928980|13.743479|36.858105| |1.650749|1.890027|2.061484|3.317148|0.066505|2.710944|3.319649|3.287348|5.485448|6.991014|4.271380|7.908234|3.882093|3.765190|3.127378|2.778776|2.823240|3.264744|6.952366|7.969231|6.872047|7.950215|13.762670|36.858105| |1.867476|2.180217|2.398398|3.967482|0.078910|3.359831|4.339134|4.203089|7.245707|10.588686|6.106717|11.080455|5.103096|4.899460|3.765756|3.228516|3.282603|3.954994|8.185322|13.764335|7.910753|6.870490|7.927438|13.751562|36.858105| |3.122664|4.100533|3.916648|6.710939|0.159150|5.792352|7.216210|12.664136|10.659474|7.280347|5.188612|6.813653|3.342482|3.292100|2.750712|2.430485|2.450236|2.812386|6.071287|3.955516|3.664670|2.910375|2.572130|2.669893|3.216752|36.858105| |2.983511|3.783655|3.440390|5.428538|0.119692|4.904689|5.538183|7.530898|7.806201|5.934444|4.284453|5.950387|3.106528|3.240634|2.786419|2.420018|2.362125|2.623848|5.508543|3.410466|3.111674|2.572070|2.344761|2.467407|2.933818|12.420823|36.858105| |3.835538|4.936381|7.649163|17.138478|0.261020|7.539949|6.235400|4.669622|5.409832|5.789700|5.507818|9.678400|4.602131|3.647465|3.098477|3.079634|3.592877|4.541925|11.896597|3.458618|3.099382|2.602691|2.421729|2.583822|3.064542|3.912583|3.197309|36.858105| |3.270683|4.044005|5.356099|10.383423|0.224152|5.384665|5.338392|4.570226|5.564340|5.784544|4.956513|8.318463|3.765403|3.083481|2.621791|2.570803|2.928291|3.616855|9.408630|3.570150|3.382128|2.820602|2.541828|2.620960|3.048155|3.899676|3.057917|12.494788|36.858105| |2.972596|3.711303|4.602726|9.210065|0.208551|5.503039|6.255959|5.570814|6.978958|7.250328|5.990095|9.370038|3.980919|3.272510|2.708930|2.590832|2.902766|3.629650|9.120999|4.349309|4.148970|3.315046|2.905043|2.974164|3.526061|4.472596|3.362805|8.888238|17.532489|0.500000| |2.745610|3.177701|4.052237|6.753530|0.137531|3.925783|3.937178|3.464639|4.489081|4.826169|3.980218|7.254758|3.378448|2.755978|2.399203|2.411669|2.796974|3.409504|9.348725|3.215390|3.120443|2.718172|2.486648|2.535463|2.847269|3.007893|2.474753|7.593130|12.487332|0.246152|36.858105| |2.365816|2.680648|3.195624|5.134789|0.109926|3.155691|3.294222|3.102268|4.169594|4.368023|3.363056|5.959934|2.796756|2.365312|2.076143|2.065110|2.334379|2.766654|7.266790|3.037338|3.119139|2.778175|2.487828|2.447220|2.665446|2.770070|2.281451|4.888743|7.446747|0.190595|12.405742|36.858105| |2.058392|2.267115|2.660345|4.094810|0.085166|2.611032|2.702101|2.542036|3.473050|3.693049|2.820947|5.176511|2.507299|2.138310|1.912901|1.930363|2.189333|2.543484|6.735049|2.665871|2.748475|2.556257|2.346750|2.295610|2.427047|2.288274|1.946891|3.790443|4.899295|0.127481|7.558198|12.652645|36.858105| |1.931172|2.080092|2.392749|3.554770|0.074231|2.272280|2.314202|2.204415|2.993265|3.127097|2.375258|4.325787|2.151640|1.872066|1.701410|1.724147|1.935540|2.195566|5.713503|2.259741|2.338214|2.208762|2.043757|1.991465|2.081208|2.034977|1.757063|3.158064|3.892613|0.100473|5.358042|7.606984|14.456830|36.858105| |3.692843|4.552584|5.728766|9.794574|0.249634|4.817835|4.540206|4.196288|4.962794|4.824241|3.954483|6.427539|3.073507|2.645829|2.305862|2.255795|2.504236|2.957300|7.396163|3.000833|2.915968|2.470676|2.218494|2.257111|2.578143|3.948749|3.083772|8.198904|13.497919|0.258577|7.762775|6.211902|4.264662|3.661423|73.516695| |17.564243|8.758566|6.864068|6.270070|0.126832|3.733847|2.985645|2.747536|3.178287|3.058862|2.529776|4.264541|2.347255|2.196907|2.076896|2.079451|2.206014|2.353202|5.468741|1.941017|1.827260|1.620696|1.529237|1.595118|1.790300|2.891322|2.697681|3.801947|3.348267|0.082822|2.856627|2.476218|2.155510|2.043462|6.960216|0.500000| |17.556890|8.760459|6.883073|6.146195|0.115357|3.994451|3.067569|2.736995|3.159495|3.090018|2.604695|4.456775|2.547076|2.423545|2.342336|2.365771|2.480584|2.581029|5.844088|1.953753|1.803028|1.602240|1.532608|1.622963|1.832604|2.818295|2.736876|3.669710|3.047719|0.076860|2.622859|2.241227|1.981358|1.859879|5.870118|0.301086|0.500000| |17.593045|8.824998|5.517546|5.535614|0.112557|3.665547|2.946471|2.771849|3.176771|3.007756|2.462827|4.084203|2.283316|2.208046|2.106436|2.072565|2.134674|2.243074|5.040993|1.899342|1.777814|1.576451|1.492277|1.563034|1.758559|3.024005|2.978117|3.229122|2.849814|0.073673|2.420075|2.136801|1.873404|1.769468|5.708227|0.302023|0.302224|0.500000| |8.853055|17.521161|8.869433|9.522328|0.220688|5.626768|4.341974|4.108247|4.402606|4.035806|3.351259|5.275200|2.804604|2.638970|2.391778|2.295015|2.401723|2.654854|6.025162|2.439844|2.277660|1.957263|1.812489|1.892630|2.177051|4.631997|4.112649|4.701140|4.169616|0.108248|3.210865|2.778923|2.314103|2.127387|8.872532|0.211590|0.172840|0.212934|0.500000| |8.887025|17.582697|8.787057|9.013873|0.171771|6.602676|4.585033|4.067023|4.346249|4.096407|3.515893|5.623563|3.148514|3.048444|2.813892|2.686368|2.754069|2.978046|6.498135|2.459010|2.226802|1.921459|1.814412|1.935026|2.248321|4.355807|4.271181|4.422799|3.609422|0.095447|2.875653|2.449959|2.095669|1.917095|6.861134|0.173273|0.210821|0.215327|0.302581|0.500000| |6.724242|8.756051|17.597193|12.378501|0.182574|7.033630|4.606303|3.655661|4.114920|4.190401|3.815231|6.669975|3.785909|3.360078|3.109105|3.163779|3.511815|3.893270|9.042313|2.558451|2.289806|1.989224|1.901063|2.047867|2.380095|3.435585|3.136460|6.877922|4.633366|0.112213|3.751163|2.942249|2.523806|2.274052|8.157933|0.164236|0.199033|0.138931|0.173039|0.212077|0.500000| |7.101319|8.890436|17.644324|12.497209|0.224699|5.589396|4.165447|3.545395|4.022840|3.985318|3.467951|5.897047|3.136548|2.767113|2.520503|2.534796|2.810220|3.166906|7.687293|2.463030|2.280802|1.980576|1.856866|1.952668|2.237204|3.452917|2.999978|7.474928|5.693122|0.127840|4.436141|3.470320|2.875592|2.612808|11.731002|0.211382|0.175679|0.143402|0.210299|0.173597|0.301401|0.500000| |4.666334|7.200402|7.271071|12.393816|0.219560|17.683412|8.975378|6.739062|6.425496|6.070250|5.651293|8.260674|4.491064|4.317405|3.665810|3.309503|3.385070|3.887220|8.153626|3.351981|2.894278|2.405254|2.258592|2.459039|2.990583|6.289071|5.792889|5.571154|4.363498|0.123242|3.305989|2.763485|2.319678|2.058628|7.515712|0.110416|0.121436|0.116338|0.182311|0.249353|0.184036|0.145990|0.500000| |3.963169|5.355372|6.879484|12.408942|0.181507|17.640643|8.864130|5.488156|5.938001|6.412524|6.822763|11.518876|6.757657|5.788905|4.744109|4.415282|4.800293|5.918104|11.999437|3.603886|2.996765|2.511827|2.415596|2.703337|3.340226|4.450405|4.046883|7.015350|4.759313|0.130776|3.731893|2.962300|2.522468|2.200666|7.353841|0.097956|0.110644|0.095723|0.129459|0.162426|0.210243|0.144189|0.302988|0.500000| |2.317453|2.763011|3.003498|4.862114|0.090824|4.801645|5.695559|4.717189|6.480874|8.034690|6.951483|12.569374|8.929653|17.732268|8.891190|5.635795|4.939721|5.661951|9.608377|5.008879|3.685182|3.150642|3.254578|4.061196|5.484862|3.651130|3.669855|3.416330|2.986298|0.090136|2.630813|2.305005|2.067766|1.814526|4.623810|0.059308|0.064621|0.060456|0.073307|0.083845|0.086579|0.073305|0.121659|0.146296|0.500000| |2.124527|2.407698|2.571380|3.816271|0.070561|3.485218|3.534610|3.040124|4.040649|4.579194|3.827247|7.432003|5.665926|8.941001|17.740376|8.914027|5.643380|4.984433|8.321284|3.098183|2.530593|2.305587|2.435425|2.927435|3.444759|2.620416|2.735808|2.699572|2.333022|0.067154|2.135602|1.880331|1.738413|1.560594|3.721843|0.054140|0.061167|0.055873|0.062269|0.073474|0.077204|0.063510|0.093144|0.111602|0.215180|0.500000| |2.102738|2.304928|2.540322|3.621994|0.065688|3.080194|2.935162|2.479064|3.255285|3.683134|3.142760|6.493970|4.959288|5.638694|8.913765|17.741760|8.932571|5.681624|9.588208|2.535451|2.146402|1.990480|2.100439|2.459833|2.778184|2.173350|2.191125|2.677716|2.269942|0.063114|2.151412|1.865847|1.761941|1.592191|3.605249|0.054252|0.062149|0.054443|0.058464|0.068438|0.079172|0.064048|0.080532|0.102009|0.123971|0.214595|0.500000| |2.269803|2.490569|2.922114|4.195057|0.074251|3.358090|3.129862|2.556043|3.340991|3.858540|3.410533|7.587321|5.657744|4.941028|5.626080|8.834975|17.743366|8.999205|16.662902|2.653795|2.266676|2.091707|2.181835|2.519722|2.845968|2.202714|2.118816|3.351479|2.758075|0.074538|2.705569|2.262477|2.158648|1.926333|4.235058|0.059814|0.067239|0.057172|0.062792|0.071169|0.092998|0.075373|0.083237|0.113622|0.107342|0.123648|0.212928|0.500000| |1.954597|2.307240|2.488018|4.204699|0.090902|3.282949|4.337860|5.093964|9.944449|9.906147|5.043427|7.492399|3.300467|3.057339|2.505469|2.257547|2.349926|2.785356|6.277711|8.932207|17.761851|8.897837|5.638165|4.955086|5.643558|4.082029|3.322717|3.199709|3.620945|0.126561|3.266508|3.342212|2.864505|2.440538|5.665017|0.053038|0.051527|0.051469|0.067309|0.064193|0.064881|0.066163|0.082801|0.082805|0.092755|0.065054|0.055772|0.059202|0.500000| |1.572158|1.791246|1.920763|3.081640|0.064854|2.375077|2.885672|3.124799|5.320531|5.705323|3.349360|5.608346|2.658049|2.513927|2.153855|1.977112|2.044603|2.343046|5.294852|5.663874|8.949373|17.729479|8.909246|5.650376|4.951673|2.696162|2.384576|2.390581|2.634158|0.085122|2.569291|2.704397|2.514784|2.200367|4.185738|0.042932|0.042050|0.041677|0.051433|0.049858|0.051265|0.051792|0.060939|0.062659|0.074714|0.056736|0.049776|0.052420|0.214955|0.500000| |1.444344|1.626433|1.752376|2.760252|0.056379|2.170009|2.568765|2.631494|4.297954|4.921812|3.065388|5.509784|2.746738|2.651721|2.316688|2.130214|2.177848|2.447335|5.415230|4.963119|5.643531|8.910235|17.730601|8.918595|5.642675|2.256327|2.082778|2.153257|2.259726|0.070467|2.245144|2.272493|2.188049|1.932515|3.552818|0.039204|0.039254|0.038256|0.045740|0.045733|0.047903|0.046948|0.055667|0.059299|0.077956|0.061353|0.053893|0.055790|0.124000|0.214653|0.500000| |1.560524|1.767884|1.923454|3.039391|0.060396|2.480584|2.940757|2.863088|4.589677|5.667728|3.686645|7.060484|3.684432|3.658948|3.152952|2.826240|2.836113|3.186671|6.704019|5.665862|4.952527|5.649418|8.914546|17.730107|8.945126|2.376738|2.241395|2.364529|2.360185|0.072760|2.309322|2.217451|2.114874|1.855019|3.642744|0.041852|0.042925|0.041113|0.048809|0.050413|0.053636|0.050654|0.062998|0.069889|0.107455|0.082790|0.070234|0.070684|0.107578|0.124138|0.214790|0.500000| |1.927786|2.251844|2.485291|4.082159|0.079414|3.563754|4.508243|4.135096|6.685195|9.650126|6.430293|12.655162|6.394779|6.481307|4.728885|3.888007|3.865199|4.666155|9.080619|8.894178|5.631597|4.954828|5.650300|8.936617|17.767541|3.164885|2.961833|3.122649|2.979442|0.093515|2.764507|2.521843|2.303228|1.986916|4.481917|0.050921|0.053034|0.050315|0.061572|0.065222|0.069648|0.063628|0.087898|0.101610|0.204217|0.117963|0.090776|0.090280|0.124096|0.107573|0.124296|0.216382|0.500000| |2.757983|3.467524|3.339722|5.568112|0.132928|4.481998|5.544693|9.047755|10.187386|6.749703|4.476844|6.070430|2.951769|2.895256|2.447315|2.182031|2.205721|2.518251|5.509192|3.893471|3.819398|3.036503|2.619064|2.645679|3.116516|17.595261|8.846640|3.458985|3.635841|0.117527|2.881804|2.753698|2.278341|2.035924|6.632822|0.072510|0.069216|0.074844|0.109706|0.099369|0.081879|0.084859|0.129627|0.100691|0.089000|0.065150|0.054639|0.055605|0.123173|0.079600|0.064036|0.064950|0.082901|0.500000| |3.686382|5.071125|4.657974|7.910928|0.203361|6.224034|6.660134|8.906343|7.980234|6.132350|4.668003|6.414335|3.181079|3.063597|2.609597|2.360480|2.412867|2.760367|6.072573|3.437086|3.219992|2.614740|2.329627|2.410579|2.859616|17.506717|8.825930|4.309035|4.278147|0.131282|3.198102|2.908670|2.371209|2.119853|8.180675|0.094707|0.089545|0.098594|0.170524|0.145339|0.108150|0.113441|0.194736|0.128379|0.091181|0.068553|0.058920|0.060945|0.099330|0.068020|0.057381|0.060238|0.078691|0.303873|0.500000| |2.954793|3.638534|3.185746|4.802750|0.107224|4.064217|4.325666|5.500399|6.108639|4.821176|3.477915|5.032596|2.654715|2.751273|2.432668|2.153566|2.106001|2.305363|4.900091|2.900946|2.726323|2.307206|2.105396|2.184835|2.532075|8.796713|17.571628|2.857178|2.772113|0.083170|2.276451|2.127770|1.827465|1.669301|5.117996|0.074481|0.074405|0.084124|0.112511|0.112861|0.080209|0.078573|0.133276|0.095382|0.084706|0.066837|0.054928|0.053204|0.081425|0.060426|0.052641|0.055592|0.070564|0.212729|0.213256|0.500000| |3.270318|4.216101|3.767459|5.816822|0.122856|5.601211|5.813698|6.772953|6.883910|5.684047|4.376041|6.197659|3.352685|3.568894|3.097332|2.668237|2.573493|2.830583|5.839290|3.252437|2.887863|2.413770|2.246316|2.407787|2.880512|8.720834|17.540418|3.325388|3.041868|0.090851|2.463383|2.224235|1.910096|1.724418|5.400599|0.080010|0.084352|0.090509|0.122174|0.140154|0.097157|0.088524|0.200490|0.129820|0.111554|0.084735|0.066990|0.063691|0.083598|0.061712|0.055575|0.061499|0.082956|0.172539|0.208782|0.301585|0.500000| |2.570332|3.154133|2.961634|4.673022|0.100860|4.223961|5.019435|6.845277|8.169969|6.160862|4.209887|5.874250|3.077248|3.293529|2.821519|2.408703|2.319486|2.564625|5.325097|3.629645|3.301131|2.736275|2.502205|2.639112|3.138434|8.802606|17.584528|2.886577|2.788585|0.086097|2.313447|2.157237|1.863797|1.681316|4.888018|0.065286|0.066693|0.071123|0.093101|0.097552|0.076720|0.072836|0.130916|0.101094|0.106942|0.078098|0.060655|0.057523|0.096650|0.070079|0.061555|0.066437|0.087684|0.212164|0.173102|0.301327|0.301713|0.500000| |3.343783|4.194132|5.970614|12.196355|0.190233|7.621565|6.800250|4.744106|5.690338|6.538577|6.726536|13.221809|6.047422|4.397995|3.620060|3.609310|4.368124|5.998218|16.432208|3.894960|3.352536|2.805629|2.653841|2.901520|3.516396|3.756711|3.140216|17.701044|8.806327|0.217255|6.699448|4.489063|3.647021|3.002005|10.349277|0.090218|0.091333|0.079936|0.109401|0.110557|0.165973|0.153372|0.149487|0.221431|0.110827|0.085095|0.084781|0.110275|0.093272|0.070248|0.064945|0.073793|0.101470|0.092111|0.109468|0.076682|0.091474|0.080585|0.500000| |4.036734|4.880173|7.922337|12.338215|0.196511|5.841069|4.711138|3.728189|4.419770|4.695043|4.284902|7.864394|4.014321|3.251942|2.879357|2.955542|3.493622|4.229796|11.416799|2.925010|2.661202|2.299109|2.168484|2.305686|2.668923|3.282451|2.789153|17.657631|8.880344|0.174548|7.139304|4.602118|3.742968|3.201930|12.734805|0.114300|0.109835|0.092175|0.124513|0.117841|0.212360|0.245780|0.130965|0.163116|0.083432|0.070053|0.072631|0.093790|0.075793|0.059285|0.054343|0.059540|0.075990|0.081816|0.100844|0.070734|0.081185|0.070253|0.302431|0.500000| |2.545917|2.938428|3.733187|6.255719|0.121885|3.888554|3.986685|3.416051|4.534679|5.112063|4.283718|8.334860|3.818660|3.013605|2.604614|2.641335|3.134784|3.930506|11.354005|3.482369|3.308036|2.902265|2.702641|2.796545|3.147758|2.877613|2.406744|7.078216|8.928877|0.212806|17.521326|8.846510|7.015653|4.887792|10.081380|0.072301|0.068778|0.062659|0.080920|0.075697|0.099930|0.109111|0.089592|0.106378|0.078671|0.063564|0.064808|0.084180|0.093243|0.075011|0.067477|0.070903|0.085264|0.076145|0.082895|0.060894|0.067021|0.063365|0.203924|0.182273|0.500000| |2.860501|3.212995|4.153348|6.386966|0.127088|3.630761|3.459298|3.037704|3.878013|4.117838|3.418134|6.305627|3.087735|2.553979|2.276985|2.329416|2.713754|3.219274|8.881468|2.752529|2.657114|2.358805|2.193562|2.247562|2.497216|2.716080|2.287935|6.959975|8.892918|0.174063|17.544938|8.838225|6.853169|5.426406|12.605172|0.084341|0.076532|0.069256|0.088792|0.079429|0.108224|0.132657|0.086702|0.097941|0.067089|0.056486|0.058365|0.074433|0.076653|0.062308|0.055700|0.057762|0.068359|0.071867|0.081259|0.059131|0.063949|0.059138|0.164609|0.215942|0.302371|0.500000| |2.438943|2.735526|3.196443|4.988085|0.110039|3.007473|3.081540|2.969000|3.923127|3.972257|3.036403|5.251594|2.515439|2.172091|1.924374|1.909200|2.130427|2.479574|6.370327|2.729143|2.821125|2.518345|2.248068|2.202158|2.391930|2.748987|2.261379|4.488772|6.716785|0.167521|8.793481|17.532538|8.972532|7.290628|12.059998|0.072023|0.063346|0.061407|0.080183|0.068490|0.080175|0.098535|0.074768|0.077389|0.059216|0.048859|0.048291|0.057488|0.085301|0.068902|0.057423|0.055673|0.063130|0.076593|0.081671|0.059390|0.060926|0.058876|0.109965|0.119880|0.173246|0.212979|0.500000| |2.254485|2.589097|3.025614|5.000944|0.108727|3.193356|3.495433|3.384633|4.696272|4.920027|3.647992|6.318622|2.883370|2.449708|2.119918|2.075779|2.320795|2.771725|7.124163|3.478457|3.692580|3.244087|2.820849|2.723708|2.966619|2.972050|2.411197|4.581817|6.918406|0.209470|8.842576|17.491772|8.945349|5.952013|10.051609|0.064611|0.059152|0.057162|0.075244|0.066780|0.077251|0.088535|0.077624|0.082203|0.067253|0.053477|0.051867|0.061648|0.112352|0.088155|0.070832|0.067346|0.076208|0.083479|0.084952|0.062049|0.064417|0.063923|0.120898|0.113925|0.210293|0.173616|0.302158|0.500000| |1.949912|2.151215|2.527526|3.914898|0.079937|2.565800|2.686057|2.501107|3.469883|3.783638|2.887758|5.448706|2.636073|2.227830|1.991715|2.019392|2.308963|2.696770|7.234178|2.794528|2.865434|2.706338|2.522605|2.474409|2.588824|2.213869|1.901158|3.641594|4.470987|0.119883|6.657888|8.655911|17.657093|9.192587|6.637687|0.056082|0.052646|0.049388|0.060360|0.055947|0.067754|0.074496|0.062933|0.069894|0.059476|0.050046|0.051069|0.063372|0.081058|0.073401|0.065498|0.063557|0.068107|0.060980|0.062845|0.049252|0.052013|0.051014|0.101620|0.099153|0.201812|0.164234|0.172543|0.209040|0.500000| |1.765066|1.882260|2.146370|3.151609|0.065150|2.052243|2.088581|1.989254|2.718183|2.855246|2.161421|3.979205|2.007928|1.758766|1.613632|1.644553|1.843184|2.065919|5.357120|2.090723|2.161183|2.078164|1.949677|1.897968|1.957340|1.838937|1.610020|2.760276|3.256772|0.085163|4.296791|5.467866|9.110467|17.724636|5.430081|0.051679|0.047601|0.045154|0.053106|0.048577|0.057399|0.064534|0.051947|0.055797|0.047243|0.041235|0.042444|0.051340|0.061898|0.057698|0.051777|0.049581|0.052041|0.051084|0.052840|0.042566|0.044019|0.043055|0.074235|0.078220|0.114972|0.122173|0.143605|0.129047|0.219689|0.500000| 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