Version2.0 2020-07-19T15:54:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 16-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccccc1CCNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cc(ccc4OC)OC C39652758 RHF 6-31G(d) (6D,7F) CCOc1ccccc1CCNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cc(ccc4OC)OC C01[X(C28H38N3O5)] 216 C1 616 CCOc1ccccc1CCNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cc(OC)ccc1OC CCOc1ccccc1CCNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cc(OC)ccc1OC CCOc1ccccc1CCNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cc(OC)ccc4OC InChIKey=YBPNAZKCHHZHMK-QHCPKHFHSA-O InChI=1S/C28H37N3O5/c1-4-36-24-8-6-5-7-20(24)11-14-30-26(32)23-18-31(19-28(23)12-15-29-16-13-28)27(33)22-17-21(34-2)9-10-25(22)35-3/h5-10,17,23,29H,4,11-16,18-19H2,1-3H3,(H,30,32)/p+1/t23-/m0/s1 InChI=1/C28H37N3O5/c1-4-36-24-8-6-5-7-20(24)11-14-30-26(32)23-18-31(19-28(23)12-15-29-16-13-28)27(33)22-17-21(34-2)9-10-25(22)35-3/h5-10,17,23,29H,4,11-16,18-19H2,1-3H3,(H,30,32)/p+1/t23-/m0/s1/fC28H38N3O5/h29-30H/q+1 CCOc1ccccc1CCNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cc(ccc4OC)OC C01[X(C28H38N3O5)] 216 C01 616 CCOc1ccccc1CCNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cc(OC)ccc1OC CCO[C]1[CH][CH][CH][CH][C]1CC[NH][C](=O)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][C]([CH][CH][C]1OC)OC CCO[C]1[CH][CH][CH][CH][C]1CCNC(=O)[C@@H]2CN(CC23CC[NH2]CC3)C(=O)[C]4[CH][C]([CH][CH][C]4OC)OC InChIKey=JTEVVLRACYDOPE-QHCPKHFHSA-N InChI=1S/C28H38N3O5/c1-4-36-24-8-6-5-7-20(24)11-14-30-26(32)23-18-31(19-28(23)12-15-29-16-13-28)27(33)22-17-21(34-2)9-10-25(22)35-3/h5-10,17,23H,4,11-16,18-19,29H2,1-3H3,(H,30,32)/t23-/m0/s1 InChI=1/C28H38N3O5/c1-4-36-24-8-6-5-7-20(24)11-14-30-26(32)23-18-31(19-28(23)12-15-29-16-13-28)27(33)22-17-21(34-2)9-10-25(22)35-3/h5-10,17,23H,4,11-16,18-19,29H2,1-3H3,(H,30,32)/t23-/m0/s1/f/h30H 3911.8493006190 -1619.9130075 1-A 27890.4797 133 483 616 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2163.72 2194.33 2220.70 2223.46 2227.86 2236.41 2239.46 2246.67 2255.15 2275.18 2279.46 2301.72 2332.49 2338.59 2344.73 2348.99 2351.34 2359.77 2363.11 2365.38 2367.30 2369.01 2370.81 2375.31 2385.22 2385.51 2390.32 2401.93 2410.92 2421.39 2425.81 2428.22 2484.48 2557.50 2574.32 2603.55 2625.04 2626.29 2731.30 2790.74 4594.48 4603.53 4621.26 4624.68 4629.70 4643.54 4644.06 4664.52 4666.54 4681.14 4701.91 4708.54 4710.64 4716.54 4720.03 4724.34 4726.77 4728.71 4737.10 4747.83 4758.46 4780.90 4781.85 4791.08 4796.12 4796.78 4811.67 4822.40 4823.88 4848.68 4860.54 4876.42 4886.59 4907.58 4911.67 5267.96 5368.88 5590.65 0.687640 0.720998 0.721942 0.617297 -1619.225367 -1619.192009 -1619.191065 -1619.295711 3.509844D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE CCOc1ccccc1CCNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cc(ccc4OC)OC C39652758 RHF 6-31G(d) (6D,10F) C1 496.281147 |X|Y|Z| 149.481923 38.307815 63.859463 71.510054 27 6 7 24 3 |36.858105| |12.575295|36.858105| |8.067636|13.517335|73.516695| |5.217849|7.947875|25.029490|36.858105| |4.404461|6.707163|14.016037|13.754059|36.858105| |3.339357|4.505593|9.239536|7.934250|13.711427|36.858105| |2.973865|3.781451|8.197071|6.851458|7.923589|13.817700|36.858105| |3.198985|3.981055|9.417398|7.966921|6.903937|7.988459|13.717581|36.858105| |4.079609|5.228015|14.522211|13.597998|7.879499|6.838255|7.866577|13.772007|36.858105| |4.018796|4.583240|12.290133|7.532434|5.008400|4.432345|4.999888|7.550208|12.597841|36.858105| |3.907545|4.227618|10.533096|5.841034|4.228381|3.754560|4.093707|5.519021|7.542486|12.436962|36.858105| |3.489585|3.495337|7.951569|4.177189|3.243307|2.934801|3.164894|4.021789|4.978416|7.652094|13.043768|53.358707| |2.810889|2.829402|6.176320|3.394076|2.767519|2.604023|2.872793|3.598530|4.094977|5.792319|7.737845|19.403471|36.858105| |2.531117|2.622748|5.712753|3.295716|2.746892|2.669333|3.039537|3.843970|4.113147|5.516320|6.787235|11.575159|15.738206|73.516695| |2.528681|2.458415|5.125828|2.750171|2.309804|2.172275|2.345145|2.813069|3.146139|4.128006|4.987731|10.683106|12.468827|14.170956|36.858105| |2.473947|2.385031|4.888744|2.603394|2.212417|2.075147|2.213825|2.607921|2.907657|3.670156|4.617580|9.359503|9.076498|11.561328|17.497544|0.500000| |2.670112|2.511901|5.149805|2.677588|2.243377|2.076605|2.200499|2.608605|2.975524|3.884690|4.360611|8.779655|7.314620|9.331457|12.371115|0.247055|36.858105| |2.242685|2.115704|4.227457|2.232648|1.922753|1.806270|1.912515|2.218563|2.453641|3.045924|3.307429|5.981431|5.112102|7.448346|8.123459|0.189993|13.097517|53.358707| |2.004049|1.927901|3.853018|2.080164|1.814613|1.731695|1.852216|2.138624|2.308637|2.813585|3.097321|5.458274|5.013499|7.823578|8.069159|0.200199|7.894803|17.895669|36.858105| |2.118462|2.082738|4.264668|2.344428|2.023491|1.945909|2.120411|2.500394|2.682672|3.354174|3.761790|6.828210|7.294680|11.762407|12.302830|0.247982|7.836489|11.087551|12.365343|36.858105| |1.922196|1.914877|3.888938|2.174899|1.912127|1.866091|2.043319|2.374678|2.481182|2.980821|3.404019|5.756173|5.897090|11.002302|7.454777|0.200106|5.006034|6.982775|7.417177|12.391968|36.858105| |1.683776|1.684635|3.377394|1.907326|1.707238|1.687200|1.850078|2.113159|2.160480|2.518373|2.749950|4.394936|4.157940|8.005893|4.853457|0.128533|3.831273|5.689511|5.911358|7.449164|12.506087|36.858105| |1.675203|1.692404|3.414054|1.952033|1.749027|1.744809|1.937236|2.224794|2.242132|2.612879|2.741066|4.282466|4.024508|8.066361|4.397532|0.109115|3.633067|5.292453|5.029611|6.489817|7.721366|12.665766|53.358707| |1.542212|1.559491|3.116049|1.786423|1.619009|1.624134|1.797604|2.035362|2.032423|2.321181|2.405503|3.674802|3.320490|6.565003|3.580058|0.091030|3.086716|4.544915|4.185483|4.906969|5.688123|9.162604|25.699486|0.500000| |1.723530|1.761825|3.585812|2.077863|1.861411|1.873322|2.107748|2.438583|2.422516|2.816146|2.946199|4.510246|4.279979|9.168771|4.344564|0.107314|3.496004|4.832092|4.357711|5.915715|7.163572|9.217257|25.652005|0.327448|0.500000| |1.776753|1.780279|3.602735|2.038990|1.807206|1.784844|1.973307|2.287594|2.344592|2.792975|2.855294|4.562157|4.268464|8.096523|4.852263|0.113067|4.291224|6.476034|5.963249|7.429659|6.474770|7.618229|17.197843|0.254113|0.255610|36.858105| |2.065701|2.060401|4.248344|2.378341|2.056987|2.001819|2.214362|2.632926|2.775024|3.475155|3.610495|6.149409|6.223896|11.227337|7.448687|0.152669|6.215981|8.659405|7.534334|12.313118|7.518544|6.477275|10.500850|0.157936|0.198639|12.522173|36.858105| |2.149646|2.002541|3.925509|2.059115|1.791561|1.679258|1.760163|2.013586|2.222314|2.693576|2.825281|4.834135|3.868694|5.864034|5.228891|0.130001|7.844747|19.118476|7.562948|5.278147|3.823313|3.376252|4.419510|0.080582|0.082425|3.985399|4.809842|36.858105| |2.333743|2.136128|4.155883|2.144518|1.857655|1.722259|1.787788|2.041094|2.283612|2.765024|2.846884|4.794729|3.631618|5.461944|4.566429|0.114222|7.049285|11.647452|5.302497|4.265710|3.220009|2.846959|3.798896|0.069996|0.072624|3.367242|4.058387|15.885679|73.516695| |1.839375|1.729018|3.346265|1.778975|1.576138|1.494218|1.566358|1.766118|1.910741|2.250765|2.342246|3.849361|3.104955|4.942067|4.001129|0.103600|5.015540|10.593424|6.470420|4.420763|3.480021|3.294956|4.301162|0.080885|0.078244|3.832199|4.148359|12.638795|14.308755|36.858105| |1.728950|1.613956|3.080078|1.631234|1.458309|1.380844|1.435551|1.600569|1.728477|2.001482|2.103215|3.400121|2.686716|4.300753|3.380084|0.091957|4.058414|7.662097|5.048383|3.613809|3.038680|2.897188|3.684026|0.070444|0.067666|3.104212|3.286688|7.638606|10.811067|13.819450|36.858105| |1.535951|1.444744|2.739167|1.463392|1.322802|1.261716|1.311500|1.448878|1.546622|1.762486|1.837830|2.903569|2.293660|3.762415|2.787131|0.076227|3.173378|5.604726|4.004596|3.040486|2.679745|2.660470|3.407845|0.066791|0.062378|2.814053|2.841472|5.034666|7.657442|7.911320|13.666151|36.858105| |1.453481|1.381718|2.628855|1.418420|1.287028|1.236746|1.292787|1.426760|1.508683|1.712739|1.763989|2.759650|2.202767|3.680116|2.632369|0.070661|2.930985|5.110521|3.786672|2.964096|2.635528|2.712883|3.568517|0.071208|0.064618|2.983111|2.887359|4.449160|6.780352|6.864784|7.938168|13.745779|36.858105| |1.518809|1.453313|2.791605|1.513936|1.367146|1.317399|1.387143|1.541895|1.627170|1.863651|1.900196|2.987974|2.419484|4.063244|2.900176|0.075635|3.243509|5.772904|4.296337|3.368499|2.910762|3.033089|4.124742|0.082116|0.073708|3.617987|3.427459|5.041799|7.461664|7.960454|6.902625|7.933954|13.706970|36.858105| |1.701528|1.623078|3.149003|1.698944|1.515888|1.452561|1.534011|1.725508|1.839393|2.148155|2.192710|3.527132|2.885623|4.753504|3.572088|0.090595|4.184444|8.037153|5.632678|4.184643|3.377845|3.389752|4.631513|0.089010|0.082698|4.288325|4.286404|7.565624|10.196008|13.680234|7.940414|6.845881|7.919397|13.833973|36.858105| |1.762243|1.700645|3.339671|1.819221|1.615789|1.556241|1.660208|1.884335|1.998885|2.357022|2.359794|3.788552|3.152124|5.271408|3.816105|0.092640|4.400797|7.974423|5.628075|4.608860|3.600318|3.645516|5.323134|0.101281|0.094887|5.406085|5.309352|6.711129|9.573120|7.971973|5.221936|4.585657|5.201349|7.970993|13.887556|73.516695| |1.782408|1.719037|3.360018|1.828497|1.627850|1.565690|1.664171|1.881569|1.998014|2.337071|2.272544|3.565057|2.868328|4.808049|3.294374|0.080040|3.870746|6.321274|4.173742|3.701699|2.966397|2.962184|4.410297|0.085060|0.081908|4.312521|4.362182|5.510149|9.117288|5.899976|4.291338|3.862021|4.320849|6.018609|8.106321|23.869858|36.858105| |1.458038|1.366357|2.566165|1.367884|1.244180|1.185561|1.224915|1.343077|1.432601|1.614931|1.692414|2.643590|2.059655|3.386563|2.458491|0.068670|2.750555|4.617388|3.316489|2.615991|2.373512|2.346156|2.974574|0.058620|0.055145|2.386448|2.417461|3.962750|6.345290|5.302871|8.225119|14.195832|7.874325|5.201720|4.622120|6.166073|3.053617|73.516695| |1.318355|1.242762|2.323326|1.246016|1.142513|1.094315|1.129917|1.230256|1.302049|1.451472|1.511135|2.324052|1.806732|3.013592|2.107333|0.058759|2.304649|3.749445|2.748244|2.253256|2.091682|2.109640|2.701943|0.054070|0.050274|2.138710|2.121689|3.120532|5.102675|3.983267|5.260718|8.009238|6.703745|4.504573|3.787052|5.307852|2.693575|24.126798|36.858105| |17.567716|8.856005|12.905338|4.846609|4.017877|3.130704|2.852785|3.116246|3.974530|4.077648|4.265811|5.266619|3.046938|4.791498|2.746878|0.075874|2.885385|3.256158|2.135121|2.255978|2.049749|1.773190|2.372208|0.044365|0.049725|1.839399|2.154931|2.266806|4.352973|1.925311|1.816978|1.604071|1.506770|1.568380|1.762298|3.222583|1.810759|2.712629|1.372458|0.500000| |17.574803|8.858417|12.923687|4.882803|4.025053|3.142620|2.873125|3.149627|4.027400|4.149224|3.880935|4.877648|2.896968|4.592016|2.635379|0.070493|2.862841|3.258127|2.102406|2.207777|1.968601|1.727170|2.354485|0.044182|0.049231|1.860316|2.175638|2.321484|4.559323|1.967036|1.835278|1.621504|1.535007|1.611472|1.817223|3.359424|1.931777|2.720840|1.379030|0.300534|0.500000| |17.563030|8.879663|10.240213|4.229871|3.850069|3.007274|2.652411|2.773831|3.380020|3.280607|3.211664|3.985881|2.433715|3.940307|2.232348|0.061150|2.358407|2.757583|1.821989|1.903721|1.742758|1.542753|2.085350|0.039440|0.043631|1.618549|1.855528|1.964217|3.788873|1.704452|1.618582|1.449038|1.370510|1.422814|1.579702|2.888421|1.647160|2.463419|1.259588|0.300871|0.300682|0.500000| |8.852402|17.555419|16.518961|7.022512|6.788081|4.596881|3.739494|3.788662|4.730695|4.045116|3.930546|4.397729|2.653551|4.426873|2.308950|0.063128|2.315881|2.682653|1.821114|1.969094|1.841025|1.623116|2.205126|0.041591|0.046943|1.682979|1.930387|1.857105|3.483448|1.619296|1.522698|1.370498|1.310234|1.371485|1.521582|2.819860|1.591243|2.316663|1.189486|0.212267|0.173398|0.212654|0.500000| |8.848410|17.559094|16.532990|7.127737|6.821849|4.634408|3.784595|3.847193|4.816920|4.111607|3.621337|4.161352|2.551529|4.266302|2.240584|0.059905|2.303074|2.682629|1.800022|1.936043|1.780980|1.587118|2.190141|0.041427|0.046511|1.698307|1.944388|1.886024|3.584900|1.643278|1.532922|1.380913|1.328272|1.399556|1.555941|2.909004|1.670780|2.321156|1.193463|0.173332|0.212043|0.212633|0.300999|0.500000| |4.697047|7.470018|12.554377|8.888658|17.767768|8.945477|5.656903|4.972136|5.611701|4.078796|3.614456|3.933316|2.476366|4.319141|2.117209|0.056877|2.081440|2.449512|1.693141|1.860429|1.760158|1.578592|2.187309|0.041512|0.047146|1.660283|1.876515|1.692755|3.136223|1.496229|1.395243|1.268996|1.231017|1.299873|1.434389|2.696805|1.531461|2.133624|1.104460|0.115568|0.115043|0.118546|0.229952|0.226033|0.500000| |2.985319|3.912233|7.459411|5.654034|8.940911|17.719087|8.928547|5.661121|4.934141|3.545505|3.116401|3.437684|2.276989|4.152596|1.938189|0.051791|1.859513|2.231293|1.578633|1.756944|1.697719|1.550589|2.178836|0.041696|0.047572|1.629648|1.803793|1.534462|2.795103|1.378246|1.281378|1.177990|1.156241|1.226931|1.343203|2.547022|1.443116|1.976134|1.030856|0.077612|0.077748|0.076892|0.113853|0.114295|0.217214|0.500000| |2.548127|3.126597|6.505616|4.941708|5.634367|8.915023|17.728698|8.891759|5.618149|4.083595|3.476903|3.811303|2.620059|5.014136|2.170932|0.057051|2.026108|2.434282|1.751657|2.003291|1.955558|1.796337|2.576515|0.049182|0.057465|1.909848|2.105641|1.649664|2.959361|1.484087|1.362639|1.253356|1.241857|1.332872|1.464431|2.820576|1.588988|2.082914|1.085961|0.068315|0.068770|0.064246|0.086638|0.087553|0.124313|0.214323|0.500000| |2.805037|3.325808|7.605800|5.660123|4.966415|5.671419|8.924633|17.696544|8.972925|7.035231|5.327576|5.544389|3.839653|7.664742|2.962307|0.075286|2.690509|3.136897|2.253855|2.687286|2.571212|2.300838|3.353637|0.062406|0.076289|2.519343|2.890448|2.073247|3.691372|1.825872|1.642817|1.489749|1.476534|1.606878|1.800623|3.531833|1.973784|2.442039|1.258947|0.076931|0.077828|0.068237|0.087940|0.089245|0.107821|0.124376|0.215096|0.500000| |3.305997|3.677761|8.945999|5.615556|4.199259|3.992822|4.761779|7.266127|8.926377|17.564545|8.898619|9.456496|6.150850|11.322417|4.309142|0.102797|3.959015|4.298830|2.967463|3.642906|3.218907|2.743228|3.986948|0.071759|0.089130|3.161855|3.973310|2.770039|4.974971|2.329683|2.043734|1.805837|1.774462|1.954754|2.261682|4.502630|2.510236|2.916257|1.476991|0.092599|0.095901|0.077496|0.091977|0.095142|0.096456|0.090800|0.113237|0.222637|0.500000| |4.589265|5.008414|13.419504|6.997313|4.687379|3.985113|4.239500|5.749248|8.898370|17.572807|8.881474|9.622942|5.266087|8.363231|4.055427|0.099446|4.110006|4.329338|2.834404|3.270133|2.820651|2.398824|3.382649|0.061610|0.072962|2.720245|3.397204|2.872299|5.388062|2.362227|2.093204|1.829469|1.769849|1.926418|2.236257|4.356142|2.469172|2.974335|1.497402|0.126663|0.139301|0.101469|0.116079|0.125440|0.110601|0.090712|0.097867|0.147123|0.302460|0.500000| |4.661017|5.026920|12.657058|6.340047|4.531950|3.819317|3.925392|4.949867|6.921551|8.830313|17.630134|12.592944|5.832014|8.993907|4.286048|0.115954|3.928321|4.127671|2.811502|3.269700|2.997085|2.454852|3.281212|0.059552|0.070984|2.498249|3.076428|2.645809|4.807075|2.205807|2.014559|1.763647|1.678709|1.786502|2.044146|3.844950|2.092431|2.918255|1.467396|0.148342|0.123160|0.103801|0.131814|0.113145|0.110316|0.088585|0.091723|0.125273|0.174149|0.211093|0.500000| |3.321566|3.658704|8.630001|5.182394|4.029806|3.772187|4.264699|5.726617|6.819736|8.820759|17.641524|12.539931|7.293934|13.345121|4.670326|0.123172|3.853028|4.152742|2.976924|3.694992|3.530354|2.854953|3.860332|0.069127|0.086391|2.857939|3.533152|2.592868|4.552724|2.199761|1.986792|1.755535|1.695158|1.823578|2.082294|3.982755|2.136360|2.882745|1.457117|0.099809|0.090060|0.078269|0.098281|0.088896|0.095146|0.087580|0.102699|0.160902|0.214497|0.173955|0.302332|0.500000| |3.793625|3.606549|7.956622|3.937525|3.079628|2.731856|2.862290|3.518220|4.391858|6.311176|9.015894|26.074807|9.444038|10.872814|7.511844|0.191984|7.337530|6.426683|4.059948|4.714068|3.872732|3.001470|3.931910|0.069634|0.082507|3.124447|4.150547|3.868141|7.013956|2.994497|2.662254|2.239720|2.097216|2.251542|2.673696|5.013982|2.665777|3.635746|1.781819|0.119877|0.109886|0.087839|0.091501|0.086772|0.077988|0.066014|0.070425|0.096665|0.154327|0.183298|0.229902|0.182238|0.500000| |2.824561|2.671060|5.551710|2.884614|2.387347|2.202334|2.342636|2.810600|3.242402|4.353550|4.558151|8.828856|6.918850|9.177251|8.679203|0.174585|17.579683|12.380366|6.073920|6.428159|4.311082|3.475623|4.745002|0.083032|0.094666|4.259947|6.230981|7.058859|12.693469|4.633383|3.686855|2.950619|2.789439|3.145658|4.067245|8.026984|4.215167|4.535125|2.169230|0.083149|0.085964|0.068659|0.067212|0.068634|0.061142|0.054432|0.059579|0.080566|0.125335|0.133203|0.111850|0.108694|0.200649|0.500000| |2.901557|2.651112|5.354125|2.706013|2.263876|2.063746|2.149031|2.519227|2.920822|3.746017|4.312042|8.519447|6.156258|7.960560|8.663085|0.223599|17.598419|12.351143|6.031459|5.698621|4.176182|3.269619|4.156429|0.073759|0.082310|3.462146|4.609293|6.881833|12.295127|4.551584|3.936975|3.067328|2.759096|2.952456|3.685473|6.587577|3.360407|4.855234|2.278429|0.088947|0.086417|0.071105|0.067882|0.066706|0.058986|0.051449|0.054621|0.070715|0.101396|0.112120|0.113602|0.103845|0.223360|0.303152|0.500000| |1.829934|1.768060|3.505003|1.907468|1.682719|1.618373|1.732860|1.982381|2.110984|2.524970|2.701592|4.558328|4.072384|6.691682|5.711298|0.143056|5.796652|12.392009|17.671066|8.622745|6.270740|5.997622|7.265984|0.127541|0.122010|6.671039|7.079567|7.038618|8.746657|7.311932|5.446877|4.491486|4.469699|5.354733|7.181204|12.620072|4.741305|6.346143|2.975715|0.053579|0.053422|0.046573|0.046433|0.046314|0.043722|0.041221|0.045880|0.058259|0.074646|0.070756|0.068395|0.072674|0.093363|0.138604|0.129705|0.500000| |1.938459|1.856217|3.671830|1.975323|1.735732|1.654515|1.757075|2.008033|2.164886|2.593085|2.917126|5.068513|4.510693|7.074587|6.936587|0.205446|6.446686|12.330799|17.511109|8.769764|7.114779|5.621404|6.004046|0.105013|0.107780|4.724511|5.503490|6.194444|8.195101|5.679560|5.001558|4.023561|3.667781|3.915770|4.774820|7.935726|3.463109|6.136865|2.841199|0.057862|0.055921|0.049260|0.049155|0.047933|0.045260|0.042095|0.046224|0.058342|0.074600|0.072112|0.075060|0.078730|0.105861|0.136475|0.154907|0.302623|0.500000| |1.889158|1.864939|3.743283|2.072096|1.831549|1.776880|1.921101|2.205119|2.319924|2.747066|3.201244|5.392080|5.183166|9.113095|6.715264|0.212194|4.714905|6.661899|6.988219|8.784384|17.560667|8.989129|7.640548|0.127066|0.144995|4.877472|5.481445|3.698154|5.546439|3.405935|3.086418|2.722640|2.620041|2.808788|3.204588|5.806404|2.706077|4.361579|2.152662|0.056460|0.053394|0.047829|0.050152|0.047952|0.047225|0.045128|0.050989|0.065281|0.080174|0.072709|0.080540|0.092020|0.103767|0.109136|0.115227|0.160185|0.221773|0.500000| |1.990431|2.013105|4.138127|2.349332|2.060899|2.026458|2.247113|2.637631|2.726254|3.275588|3.812747|6.295133|6.685025|14.256711|6.990834|0.186579|4.561022|5.872043|5.481460|8.859592|17.601558|8.906886|9.441066|0.145247|0.209995|5.633392|6.679059|3.323681|5.171733|2.984361|2.633554|2.342030|2.306832|2.533906|2.907663|5.578025|2.689122|3.738352|1.873735|0.058965|0.056195|0.049883|0.054009|0.051840|0.052228|0.050950|0.059809|0.080383|0.099263|0.083608|0.091303|0.114287|0.112206|0.113250|0.108116|0.131581|0.145750|0.303542|0.500000| |1.609266|1.594678|3.163899|1.770500|1.590556|1.564270|1.698198|1.922916|1.978676|2.293787|2.482856|3.973412|3.630760|6.669604|4.407130|0.118418|3.720584|5.886642|6.376240|6.635487|8.710034|17.617688|12.446257|0.222514|0.181178|7.042365|5.745185|3.578001|5.244981|3.662579|3.239000|3.015292|3.108843|3.479225|3.825828|7.093351|3.130028|4.672953|2.357750|0.047033|0.046023|0.041180|0.042618|0.041851|0.041145|0.040113|0.045759|0.057525|0.068630|0.061701|0.062510|0.070386|0.077334|0.093027|0.088984|0.198494|0.172872|0.212791|0.172911|0.500000| |1.591693|1.602078|3.195207|1.817430|1.643892|1.636699|1.795573|2.028887|2.049340|2.340715|2.564657|3.980484|3.656814|7.189441|4.039400|0.111021|3.230152|4.664162|4.528320|5.445103|8.773729|17.624769|12.356366|0.224128|0.222285|5.583529|4.866549|2.854002|4.383046|2.805283|2.539084|2.373836|2.416471|2.643422|2.871949|5.400958|2.547028|3.800649|1.951178|0.046550|0.045004|0.040695|0.043220|0.041963|0.042297|0.042007|0.048793|0.061379|0.070337|0.061377|0.064192|0.075259|0.075259|0.082183|0.079049|0.126211|0.125750|0.211972|0.216158|0.301092|0.500000| |1.688058|1.673413|3.343107|1.872328|1.669015|1.639864|1.790518|2.049410|2.114641|2.491488|2.556773|4.089859|3.697556|6.713104|4.396543|0.105912|4.123270|6.739401|6.412083|6.595022|5.714375|7.002598|12.389614|0.221898|0.180768|17.648476|8.716142|4.308609|6.271320|4.426603|3.526546|3.237220|3.525774|4.435135|5.254821|11.883799|4.841316|4.767769|2.395934|0.048580|0.049192|0.042996|0.043981|0.044417|0.042968|0.041841|0.048119|0.061762|0.076609|0.068453|0.063381|0.070395|0.079915|0.111546|0.093780|0.230654|0.140519|0.128698|0.131429|0.213704|0.144076|0.500000| |1.730239|1.747815|3.535704|2.021813|1.803197|1.796188|1.998917|2.310463|2.334830|2.744868|2.715905|4.199390|3.791350|7.318650|4.043172|0.095111|3.710780|5.408679|4.565846|5.438544|4.873263|5.588890|12.360000|0.223814|0.222785|17.626719|8.796365|3.504623|5.467807|3.388588|2.776866|2.558730|2.748896|3.344694|3.867997|8.905471|4.320461|3.888111|1.987833|0.049261|0.050457|0.043863|0.045789|0.046727|0.045911|0.045635|0.054114|0.071304|0.087599|0.074306|0.065983|0.075508|0.079654|0.106669|0.085137|0.139558|0.104353|0.107537|0.126831|0.144590|0.126488|0.301682|0.500000| |2.166449|2.200718|4.623187|2.638304|2.263532|2.220811|2.503928|3.044454|3.174404|4.050166|4.134342|6.861885|7.199101|14.740582|6.968437|0.143750|5.514523|6.864325|5.527395|8.800922|6.654557|5.619266|9.420112|0.145090|0.209091|8.934049|17.623630|3.979713|6.313242|3.416828|2.805336|2.457902|2.486570|2.888050|3.489864|7.498919|3.733068|3.797431|1.897300|0.062518|0.063137|0.053656|0.057219|0.057666|0.056601|0.055080|0.066071|0.095161|0.135022|0.106520|0.094416|0.114261|0.121787|0.161189|0.118530|0.141309|0.123208|0.136881|0.191671|0.131679|0.126226|0.173316|0.218044|0.500000| |2.134544|2.106104|4.324874|2.389764|2.057814|1.983957|2.173645|2.578526|2.759268|3.477729|3.495060|5.949077|5.548720|9.296554|6.697809|0.137770|6.863710|9.861606|7.198421|8.762890|5.492501|4.895328|7.657034|0.127360|0.144902|9.049161|17.606999|5.757165|8.677065|4.751541|3.585827|3.041787|3.098281|3.771750|4.965598|11.801990|5.536621|4.522960|2.214369|0.061444|0.063380|0.053223|0.054211|0.055500|0.052367|0.049653|0.057073|0.077554|0.109523|0.098013|0.083771|0.091845|0.115976|0.211201|0.137589|0.194272|0.142665|0.123229|0.137282|0.129918|0.107698|0.215200|0.212585|0.302829|0.500000| |1.800994|1.663136|3.155181|1.655355|1.477915|1.390353|1.436177|1.598424|1.739044|2.011182|2.137987|3.466185|2.688990|4.245634|3.381229|0.094484|4.106531|7.380481|4.697249|3.446511|2.926345|2.717209|3.407973|0.064804|0.063521|2.811182|3.048669|7.050843|10.812401|8.905338|17.737673|8.956037|5.662921|4.969266|5.636805|7.484184|3.622043|13.538342|4.881912|0.052984|0.052995|0.046934|0.043657|0.043650|0.039438|0.035842|0.037724|0.045250|0.056322|0.058620|0.057563|0.055831|0.076614|0.101553|0.116457|0.130840|0.135463|0.084237|0.071227|0.082867|0.066951|0.086184|0.069994|0.073685|0.091244|0.500000| |1.344137|1.282237|2.427920|1.315312|1.201780|1.159237|1.210250|1.326938|1.394567|1.566854|1.609004|2.484318|1.973357|3.332724|2.311304|0.062449|2.521075|4.235151|3.182523|2.589145|2.364768|2.470846|3.264687|0.066187|0.059458|2.669663|2.541732|3.558332|5.601261|4.951948|5.633564|8.873721|17.767871|8.952424|5.658450|7.499909|3.673610|12.469149|7.407304|0.038597|0.039287|0.035374|0.033896|0.034351|0.032005|0.030230|0.032421|0.038131|0.045062|0.044803|0.042669|0.043186|0.052174|0.067097|0.066418|0.102548|0.086773|0.065486|0.058146|0.078345|0.062219|0.086682|0.069335|0.061805|0.074703|0.124198|0.500000| |1.438780|1.387647|2.665694|1.457326|1.323129|1.283241|1.355706|1.501739|1.570477|1.784853|1.802207|2.795442|2.266896|3.873669|2.650477|0.068773|2.890841|4.929959|3.744996|3.102297|2.740835|2.936585|4.114652|0.083852|0.073465|3.603853|3.271029|4.107770|6.301621|5.660632|4.967589|5.644276|8.903465|17.720036|8.979302|12.943265|5.928809|7.444081|3.895955|0.041047|0.042338|0.037500|0.036420|0.037301|0.034908|0.033279|0.036370|0.043657|0.052358|0.051006|0.046920|0.048334|0.057882|0.079215|0.072822|0.128602|0.094509|0.072558|0.067071|0.093102|0.071775|0.123468|0.095314|0.077549|0.099078|0.107804|0.216282|0.500000| |1.917171|1.826371|3.558171|1.910669|1.690588|1.609230|1.696919|1.921285|2.069926|2.435984|2.362102|3.726648|2.927553|4.792581|3.366960|0.081884|4.174697|6.688961|4.082988|3.592041|2.839633|2.743184|3.983137|0.075903|0.075249|3.775756|4.070800|6.298463|11.455659|6.203322|4.504060|3.880485|4.096607|5.281006|7.227835|16.397034|17.601822|5.514875|2.690526|0.054059|0.058323|0.049146|0.046636|0.049270|0.044326|0.041112|0.044671|0.055407|0.071711|0.072841|0.060877|0.060760|0.078919|0.129525|0.102551|0.122405|0.095084|0.072915|0.072082|0.079636|0.065996|0.113616|0.103308|0.098720|0.144643|0.108113|0.096069|0.135789|0.500000| |1.634513|1.577117|3.049929|1.663988|1.497655|1.445938|1.530306|1.710015|1.801973|2.069095|2.012866|3.103942|2.471105|4.187614|2.797042|0.069615|3.205301|5.161209|3.520537|3.124827|2.611171|2.660893|3.936238|0.077825|0.073189|3.682303|3.576839|4.477101|7.540534|5.128449|4.030010|3.859212|4.539065|6.371804|7.192566|16.396519|17.590190|5.460494|2.781161|0.045979|0.049009|0.042318|0.040742|0.042789|0.039348|0.037269|0.040803|0.049675|0.061314|0.060456|0.051972|0.052940|0.064445|0.094868|0.079574|0.111658|0.084278|0.067097|0.066096|0.078854|0.064709|0.115879|0.103829|0.086975|0.118690|0.093983|0.110226|0.189459|0.299102|0.500000| |1.807408|1.764762|3.479808|1.914930|1.703243|1.648852|1.768425|2.010162|2.117658|2.481175|2.366312|3.669427|2.970989|5.075238|3.301713|0.078935|3.758131|5.794265|3.923931|3.723800|2.999005|3.011316|4.669279|0.089995|0.087986|4.695160|4.696249|4.658584|7.840699|4.642817|3.533719|3.207896|3.540272|4.680198|5.874570|16.788741|17.625705|4.665146|2.351833|0.050698|0.054431|0.046204|0.045270|0.047846|0.044226|0.042105|0.047021|0.059116|0.075396|0.072513|0.059821|0.061969|0.074931|0.117034|0.089477|0.121158|0.089997|0.074493|0.076860|0.086313|0.072028|0.139826|0.138547|0.114440|0.168625|0.085670|0.086343|0.133253|0.299015|0.299690|0.500000| |1.285758|1.208546|2.246618|1.202221|1.105732|1.057545|1.087479|1.179376|1.249167|1.385085|1.446761|2.213030|1.705870|2.842882|1.973290|0.055556|2.147271|3.419964|2.494815|2.077259|1.946333|1.946672|2.481102|0.049585|0.046558|1.941789|1.942456|2.806273|4.670440|3.416270|4.426135|5.888528|4.895637|3.614337|3.184265|4.609092|2.371002|16.992079|17.662957|0.037241|0.037233|0.034271|0.032231|0.032219|0.029795|0.027734|0.029025|0.033400|0.038931|0.039677|0.039278|0.038777|0.047256|0.056048|0.059756|0.073457|0.072471|0.056078|0.048825|0.059813|0.050479|0.059583|0.050247|0.048742|0.055990|0.121834|0.145163|0.088739|0.066432|0.067452|0.058326|0.500000| |1.270946|1.206125|2.262184|1.220343|1.121076|1.078709|1.117884|1.216674|1.280603|1.425413|1.486342|2.281903|1.790461|3.013410|2.086072|0.058231|2.237074|3.644407|2.756500|2.269957|2.141878|2.200422|2.804598|0.056635|0.051841|2.195482|2.138595|2.953100|4.745553|3.762436|4.724357|6.985241|6.690065|4.546647|3.712800|5.267884|2.627778|16.423581|17.564637|0.036751|0.036803|0.033683|0.032148|0.032175|0.030040|0.028246|0.029939|0.034721|0.040471|0.040584|0.039936|0.040074|0.048201|0.058339|0.060771|0.084165|0.079580|0.061315|0.053068|0.069152|0.056798|0.068894|0.056548|0.053002|0.061300|0.119078|0.224221|0.112224|0.071419|0.075470|0.064356|0.300081|0.500000| 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