Version2.0 2020-02-04T04:01:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 16-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](CCc1ccc(cc1)O)[NH+]2CCN(CC2)c3cccc4c3C(=O)N(C4=O)Cc5ccc(cc5)Cl C11785538 RHF 6-31G(d) (6D,7F) C[C@@H](CCc1ccc(cc1)O)[NH+]2CCN(CC2)c3cccc4c3C(=O)N(C4=O)Cc5ccc(cc5)Cl C01[X(C29H31Cl1N3O3)] 195 C1 606 Oc1ccc(cc1)CC[C@@H]([NH+]1CCN(CC1)c1cccc2c1C(=O)N(C2=O)Cc1ccc(cc1)Cl)C Oc1ccc(cc1)CC[C@@H]([NH+]1CCN(CC1)c1cccc2c1C(=O)N(C2=O)Cc1ccc(cc1)Cl)C C[C@@H](CCc1ccc(O)cc1)[NH+]2CCN(CC2)c3cccc4C(=O)N(Cc5ccc(Cl)cc5)C(=O)c34 InChIKey=CCZSRLIAYLCMSQ-FQEVSTJZSA-O InChI=1S/C29H30ClN3O3/c1-20(5-6-21-9-13-24(34)14-10-21)31-15-17-32(18-16-31)26-4-2-3-25-27(26)29(36)33(28(25)35)19-22-7-11-23(30)12-8-22/h2-4,7-14,20,34H,5-6,15-19H2,1H3/p+1/t20-/m0/s1 InChI=1/C29H30ClN3O3/c1-20(5-6-21-9-13-24(34)14-10-21)31-15-17-32(18-16-31)26-4-2-3-25-27(26)29(36)33(28(25)35)19-22-7-11-23(30)12-8-22/h2-4,7-14,20,34H,5-6,15-19H2,1H3/p+1/t20-/m0/s1/fC29H31ClN3O3/h31H/q+1 C[C@@H](CCc1ccc(cc1)O)[NH+]2CCN(CC2)c3cccc4c3C(=O)N(C4=O)Cc5ccc(cc5)Cl C01[X(C29H31Cl1N3O3)] 195 C01 606 Oc1ccc(cc1)CC[C@@H]([NH+]1CCN(CC1)c1cccc2c1C(=O)N(C2=O)Cc1ccc(cc1)Cl)C Oc1ccc(cc1)CC[C@@H]([NH]1CCN(CC1)c1cccc2c1C(=O)N(C2=O)Cc1ccc(cc1)Cl)C C[C@@H](CCc1ccc(O)cc1)[NH]2CCN(CC2)c3cccc4C(=O)N(Cc5ccc(Cl)cc5)C(=O)c34 InChIKey=IRXAFKIEITUJET-FQEVSTJZSA-N InChI=1S/C29H31ClN3O3/c1-20(5-6-21-9-13-24(34)14-10-21)31-15-17-32(18-16-31)26-4-2-3-25-27(26)29(36)33(28(25)35)19-22-7-11-23(30)12-8-22/h2-4,7-14,20,31,34H,5-6,15-19H2,1H3/t20-/m0/s1 InChI=1/C29H31ClN3O3/c1-20(5-6-21-9-13-24(34)14-10-21)31-15-17-32(18-16-31)26-4-2-3-25-27(26)29(36)33(28(25)35)19-22-7-11-23(30)12-8-22/h2-4,7-14,20,31,34H,5-6,15-19H2,1H3/t20-/m0/s1 3745.2692950244 -1963.4982705 1-A 33310.5643 133 473 606 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727.14 734.47 743.54 751.82 775.41 808.81 858.42 876.95 885.51 905.29 906.91 970.75 1002.23 1014.16 1033.06 1040.89 1099.89 1113.84 1139.62 1161.62 1163.80 1206.92 1214.81 1224.51 1252.18 1262.15 1281.01 1320.34 1321.72 1325.17 1328.57 1333.21 1350.29 1365.18 1371.86 1385.62 1451.66 1465.58 1477.01 1502.70 1505.26 1508.46 1534.50 1560.31 1564.92 1570.43 1574.21 1596.09 1599.80 1604.93 1625.24 1631.99 1643.16 1652.49 1663.08 1684.94 1697.83 1712.79 1715.95 1731.98 1737.49 1752.53 1779.18 1782.82 1819.32 1834.42 1849.57 1868.33 1881.09 1881.56 1885.31 1896.53 1905.34 1907.30 1937.69 1968.52 1984.61 2002.38 2023.62 2037.62 2045.02 2049.73 2072.17 2080.58 2090.32 2138.68 2145.68 2146.87 2148.62 2175.10 2185.89 2190.85 2194.41 2219.18 2242.66 2250.36 2264.19 2271.45 2288.77 2295.59 2314.18 2314.76 2322.27 2344.45 2350.13 2352.06 2356.30 2362.19 2365.32 2371.08 2375.97 2387.27 2389.35 2411.11 2444.64 2548.94 2576.59 2585.36 2602.78 2603.71 2622.49 2829.51 2960.14 4507.31 4517.49 4555.35 4631.30 4649.35 4657.82 4693.19 4715.95 4725.66 4731.43 4742.89 4755.46 4762.00 4766.09 4801.56 4810.69 4817.27 4843.14 4844.71 4846.05 4855.63 4860.71 4862.60 4862.94 4884.67 4892.60 4894.34 4900.23 4911.83 5328.45 5914.36 0.599807 0.629842 0.630786 0.532486 -1962.898463 -1962.868429 -1962.867485 -1962.965784 3.296965D-04 MUNgauss RevisionA2.0 retrievium 04-Feb-2020 DUDE C[C@@H](CCc1ccc(cc1)O)[NH+]2CCN(CC2)c3cccc4c3C(=O)N(C4=O)Cc5ccc(cc5)Cl C11785538 RHF 6-31G(d) (6D,10F) C1 504.205395 |X|Y|Z| 165.903625 67.649247 34.786043 73.087194 31 6 7 28 3 |36.858105| |12.490029|36.858105| |8.899752|17.593564|0.500000| |7.504535|12.428256|0.247400|36.858105| |4.832229|7.320855|0.188858|12.381153|36.858105| |3.762907|4.851240|0.127164|7.519285|12.580431|36.858105| |3.281260|3.989478|0.101226|5.694065|7.527805|13.678820|36.858105| |2.730012|3.150079|0.081752|4.178846|5.005005|7.877121|13.817756|36.858105| |2.547436|2.897010|0.077421|3.753088|4.420036|6.813495|7.956827|13.704928|36.858105| |2.749234|3.175249|0.087185|4.151421|5.003909|7.884106|6.904684|7.938430|13.748337|36.858105| |3.317968|4.046095|0.112195|5.635415|7.541674|13.745055|8.001631|6.894225|7.943596|13.747255|36.858105| |2.184350|2.415788|0.064871|2.989277|3.369865|4.602278|5.292345|8.157879|14.169399|7.937935|5.221466|73.516695| |7.522433|12.465673|0.256202|7.541935|6.210315|4.227252|3.715812|2.934962|2.632264|2.791428|3.442551|3.957911|53.358707| |5.679378|9.353608|0.225188|7.449765|7.478086|4.771739|4.136193|3.184035|2.825973|3.000415|3.762965|4.199108|25.730736|0.500000| |6.015563|7.522243|0.206769|4.944622|4.418326|3.277233|2.913797|2.408997|2.216928|2.360778|2.833097|3.411224|17.221708|0.261286|36.858105| |4.187833|4.939373|0.133684|3.840632|3.701977|2.886773|2.667694|2.236995|2.040559|2.130261|2.495251|3.179550|10.481665|0.202423|12.552515|36.858105| |4.003685|4.433434|0.112004|3.622106|3.402975|2.743395|2.631016|2.218901|1.992748|2.037037|2.345472|3.126959|9.129111|0.169417|7.887985|13.161576|53.358707| |4.264392|4.902116|0.116286|4.252051|3.985992|3.192148|3.138767|2.583908|2.258142|2.274183|2.630517|3.504882|10.432670|0.200887|6.624771|7.952552|18.003321|36.858105| |6.283674|7.445532|0.155142|6.014057|4.973184|3.779426|3.603863|2.886191|2.521413|2.574899|3.052256|3.845743|17.276254|0.260785|7.709617|6.653728|10.756790|12.493545|36.858105| |3.138067|3.341037|0.086697|2.863038|2.745193|2.309908|2.254674|1.950588|1.763308|1.786775|2.014524|2.810911|6.099202|0.118248|5.173909|7.776270|18.370792|7.729170|5.152931|36.858105| |2.673143|2.869773|0.074486|2.583654|2.545161|2.199718|2.196928|1.920468|1.723650|1.722735|1.916751|2.768047|5.041999|0.102162|3.952581|5.425054|10.513160|6.468767|4.314411|13.658952|36.858105| |2.268890|2.385744|0.062772|2.175926|2.147982|1.899137|1.904819|1.697519|1.538546|1.533695|1.683692|2.500842|3.990691|0.080739|3.143385|4.048606|6.938986|4.421773|3.310562|7.838426|13.713692|36.858105| |2.168084|2.232694|0.059398|2.009587|1.960361|1.736097|1.723484|1.546565|1.418123|1.423402|1.559542|2.314581|3.655206|0.072696|2.969854|3.734041|6.095468|3.714786|2.955974|6.700952|7.866023|13.718270|36.858105| |2.399237|2.439867|0.065196|2.137399|2.052150|1.792187|1.754497|1.564886|1.442066|1.460885|1.613331|2.342530|4.018370|0.078164|3.410483|4.325971|7.008645|3.942956|3.202806|7.899612|6.986775|8.102977|13.853005|36.858105| |2.890976|2.960425|0.078509|2.515682|2.385259|2.034692|1.971420|1.731801|1.589014|1.619316|1.812218|2.554733|5.084574|0.096801|4.514661|6.119259|10.674483|5.168813|4.071994|13.724948|8.047249|6.940569|7.873349|13.793348|36.858105| |3.056595|3.019520|0.081457|2.494940|2.316169|1.969990|1.879442|1.657127|1.539273|1.585569|1.778754|2.476308|4.989133|0.092174|4.677199|5.650913|8.395536|4.303063|3.798221|7.252807|4.983684|4.521165|5.220711|8.198867|12.734433|36.858105| |3.606394|3.490810|0.094978|2.771486|2.518094|2.108752|1.980976|1.735168|1.618889|1.683879|1.907501|2.588812|5.719731|0.102063|5.733312|6.247259|8.438499|4.390731|4.165496|6.033108|4.222521|3.694648|3.997486|5.466475|7.844126|15.930285|73.516695| |2.546422|2.491158|0.067799|2.118040|1.984798|1.724715|1.656298|1.481522|1.385519|1.422927|1.577055|2.250667|3.946937|0.074426|3.518558|4.066805|5.912913|3.339784|2.998956|5.204655|4.136181|4.141602|5.229213|8.286634|8.291886|13.851639|14.824762|53.358707| |2.252756|2.240099|0.060624|1.954136|1.860543|1.636030|1.590434|1.430569|1.332770|1.357541|1.493290|2.175549|3.561882|0.068631|3.056410|3.634972|5.468847|3.182781|2.761129|5.212114|4.535944|5.019768|7.348803|12.752402|8.187592|8.296008|9.843513|18.675077|36.858105| |1.984051|1.967341|0.053472|1.742547|1.668322|1.485905|1.450175|1.316605|1.232103|1.252299|1.366782|2.024367|3.063163|0.059545|2.572707|2.977041|4.392341|2.675967|2.362278|4.006506|3.721232|4.273453|6.139539|7.885576|5.479628|5.551478|7.485710|11.305328|16.072477|73.516695| |2.387297|2.291640|0.063207|1.954100|1.822712|1.597643|1.525893|1.375947|1.299776|1.341534|1.480487|2.120889|3.493169|0.065807|3.084358|3.344332|4.640852|2.758456|2.592328|3.777770|3.145067|3.149845|3.795319|5.122788|5.122617|7.603355|11.711195|17.726425|7.581414|11.664166|36.858105| |2.235496|2.184758|0.061575|1.868616|1.767848|1.551100|1.470057|1.329046|1.264741|1.313591|1.450149|2.065567|3.296423|0.063055|2.944426|3.180369|4.172974|2.501593|2.366772|3.315390|2.814338|2.810203|3.303453|4.222033|4.246959|5.763280|9.647054|10.437121|5.658672|9.342202|12.585509|36.858105| |1.944078|1.925842|0.054332|1.680044|1.613000|1.430581|1.363600|1.241141|1.183188|1.224703|1.342710|1.942544|2.898166|0.056404|2.527669|2.771299|3.653762|2.234988|2.089259|2.956713|2.618105|2.696305|3.208002|3.910435|3.690374|4.469161|7.219027|7.944599|5.220032|9.589843|7.553274|13.703452|36.858105| |1.814800|1.815221|0.051824|1.595024|1.546773|1.377921|1.308135|1.195223|1.146392|1.191142|1.303451|1.885935|2.700904|0.053132|2.342595|2.539034|3.266368|2.031325|1.915428|2.584537|2.325002|2.375355|2.735917|3.193352|3.078252|3.577285|6.025378|5.757184|3.903099|7.109617|5.013852|7.897328|13.766639|36.858105| |1.897766|1.900896|0.055031|1.658734|1.608015|1.426717|1.341748|1.224096|1.180308|1.235495|1.357357|1.937100|2.796402|0.054975|2.451489|2.595540|3.244812|2.024684|1.941913|2.488072|2.211376|2.202628|2.464718|2.869391|2.891800|3.408134|6.044200|5.145654|3.349977|5.842660|4.444212|6.870182|7.977366|13.766666|36.858105| |2.162569|2.145439|0.062524|1.837117|1.759340|1.544676|1.441265|1.306945|1.260225|1.326001|1.467528|2.057514|3.143241|0.060978|2.820029|2.915207|3.582606|2.211521|2.154222|2.682831|2.319921|2.257714|2.500223|2.975935|3.126365|3.872048|7.238584|5.644277|3.444733|5.766165|5.012438|7.896570|6.875958|7.917000|13.783195|36.858105| |2.389035|2.332715|0.067001|1.968988|1.857463|1.619056|1.515808|1.367116|1.309004|1.372018|1.523299|2.130774|3.464221|0.066034|3.158212|3.281692|4.113035|2.481628|2.409760|3.107563|2.612263|2.529914|2.848284|3.534294|3.776479|5.089123|9.641854|7.664590|4.258403|6.886740|7.555418|13.726438|7.964600|6.879384|7.980660|13.753213|36.858105| |1.695392|1.713731|0.050010|1.519089|1.490453|1.336027|1.254763|1.152873|1.119847|1.175236|1.284112|1.846029|2.484417|0.049471|2.132011|2.229867|2.771506|1.772466|1.712162|2.097034|1.906369|1.898025|2.076090|2.330758|2.347708|2.645903|4.732701|3.852336|2.607693|4.596345|3.160872|4.220948|4.773670|7.040598|10.946054|7.046297|4.774759|448.794386| |17.590949|8.748339|0.173244|6.880934|4.484854|3.657077|3.334415|2.788802|2.556928|2.689540|3.172539|3.920871|8.941783|0.142042|5.094105|3.862330|5.374621|4.404910|6.686881|3.136582|2.711154|2.302406|2.185427|2.395107|2.863551|2.970352|6.074587|3.393064|2.232888|3.504923|2.319009|2.134405|1.866530|1.729767|1.786296|2.013426|2.236659|12.791110|0.500000| |17.592782|8.964593|0.218926|6.850809|4.541164|3.709807|3.180311|2.703327|2.588095|2.845784|3.421031|3.957310|7.528971|0.127738|4.713928|3.466556|4.460769|3.451251|4.688357|2.671600|2.323373|2.011340|1.935599|2.126201|2.503851|2.661390|5.514957|3.098688|2.024920|3.213373|2.177360|2.066003|1.810555|1.707533|1.797456|2.044081|2.225394|13.052004|0.303209|0.500000| |17.597716|8.706371|0.209402|5.449285|3.988129|3.167935|2.809194|2.382513|2.238035|2.403047|2.845410|3.465863|9.398303|0.143263|6.668098|4.509031|5.790779|4.226186|5.835728|3.347805|2.770692|2.361364|2.295991|2.598241|3.175071|3.497191|7.663332|3.909498|2.475030|3.841230|2.714355|2.525132|2.152628|1.993462|2.094291|2.428243|2.730245|14.799438|0.300306|0.303503|0.500000| |7.084719|9.055127|0.217466|17.568749|8.893629|7.039850|5.205754|4.083356|3.874565|4.471630|6.094362|5.498719|7.563806|0.149432|4.139907|3.257460|4.171680|3.459853|4.618531|2.500335|2.267363|1.948411|1.822901|1.940668|2.252220|2.270389|4.494034|2.665936|1.802722|2.882981|1.837117|1.766857|1.591367|1.519205|1.587983|1.760338|1.873801|11.760733|0.176920|0.212816|0.142990|0.500000| |6.866298|8.783265|0.173739|17.554720|8.791897|6.823968|6.046653|4.418222|3.786953|3.951692|5.002322|5.412410|9.096995|0.178040|4.428449|3.616520|4.920518|4.450746|6.474860|2.883707|2.638553|2.219736|2.034204|2.145088|2.511653|2.457570|4.786427|2.850047|1.948487|3.093065|1.920496|1.812284|1.632982|1.539655|1.585685|1.745871|1.884357|11.614277|0.206409|0.168889|0.140323|0.306298|0.500000| |4.399254|6.512378|0.163450|8.743576|17.480852|8.970893|7.153598|4.743639|3.993437|4.236241|5.712787|5.570193|9.207281|0.256285|4.697662|4.149652|5.243195|4.704164|5.623506|3.067512|2.878037|2.384465|2.136811|2.217275|2.591157|2.454272|4.678763|2.840141|1.974666|3.131890|1.886662|1.823118|1.668987|1.594302|1.645480|1.790367|1.897129|12.188371|0.116481|0.109990|0.104683|0.173334|0.210453|0.500000| |4.543419|6.848013|0.207953|8.828866|17.521933|8.901714|5.652593|4.207178|3.974229|4.728512|7.156811|5.531067|7.867526|0.194158|4.490904|3.715388|4.437374|3.624184|4.347159|2.652957|2.438900|2.075302|1.913794|2.016388|2.340393|2.301708|4.479931|2.692504|1.844268|2.944403|1.830459|1.800367|1.644173|1.590305|1.669051|1.831464|1.913710|12.504543|0.111727|0.121757|0.108003|0.210369|0.173150|0.303140|0.500000| |3.341747|4.063384|0.100078|5.589296|6.969500|8.887666|17.682446|8.996847|5.664755|4.965875|5.665253|7.608702|5.444952|0.124603|3.075366|2.871166|3.950595|3.593389|4.081854|2.475607|2.437228|2.089365|1.865387|1.886902|2.127370|1.997649|3.715730|2.382521|1.690011|2.728413|1.595629|1.525492|1.414098|1.348391|1.374602|1.474481|1.561078|10.251831|0.096357|0.087252|0.079939|0.133034|0.176518|0.212987|0.142980|0.500000| |2.477653|2.795213|0.072146|3.558793|4.076653|5.609654|8.888012|17.742571|8.951120|5.659281|4.965119|13.339891|3.634224|0.079753|2.220585|2.098577|2.879330|2.470727|2.702483|1.885197|1.880124|1.673462|1.519419|1.524779|1.673772|1.590797|2.935960|1.946767|1.391135|2.284424|1.326092|1.276395|1.196592|1.150275|1.171873|1.245304|1.304258|8.857505|0.071283|0.067642|0.060820|0.095588|0.107061|0.112090|0.096767|0.215703|0.500000| |2.507963|2.832711|0.079223|3.536934|4.085850|5.625327|4.967043|5.639619|8.902014|17.699148|8.913566|12.694865|3.388392|0.073506|2.158574|1.951395|2.528369|2.039512|2.288747|1.644419|1.583718|1.421969|1.329390|1.366301|1.506106|1.484823|2.804107|1.826368|1.279215|2.107015|1.274250|1.253892|1.172128|1.145135|1.191177|1.276550|1.313514|9.152233|0.067682|0.073100|0.061720|0.107751|0.092742|0.097549|0.112306|0.107719|0.124312|0.500000| |3.409648|4.167812|0.121697|5.484060|6.975344|8.907886|5.662687|4.961303|5.660994|8.970145|17.692934|7.496061|4.694531|0.103772|2.909491|2.519484|3.157944|2.542684|2.954963|1.990290|1.873066|1.649456|1.540910|1.606469|1.808369|1.796241|3.453171|2.168460|1.498018|2.437224|1.505749|1.485711|1.372652|1.338678|1.404501|1.525354|1.575065|10.705973|0.087807|0.099831|0.081853|0.172956|0.127556|0.144431|0.214602|0.124093|0.107703|0.216945|0.500000| |2.090085|2.295890|0.062449|2.796843|3.124559|4.141650|4.432198|6.052032|9.982455|7.730181|4.964451|35.740953|2.858897|0.061627|1.832698|1.702829|2.263508|1.841864|2.019631|1.499106|1.470674|1.334246|1.242008|1.260479|1.372052|1.337913|2.491607|1.660725|1.177048|1.951377|1.155684|1.130064|1.063865|1.036325|1.067462|1.133640|1.169459|8.200283|0.058128|0.059755|0.052092|0.081670|0.077799|0.079857|0.082193|0.101160|0.152395|0.227734|0.116563|0.500000| |6.621241|6.793966|0.181072|4.465794|3.793995|2.935867|2.644884|2.227367|2.064308|2.190234|2.586164|3.209629|12.286510|0.181973|17.688924|8.928464|9.744247|5.837829|6.993103|5.018185|3.753882|3.059801|2.974560|3.510692|4.690123|5.273932|12.656211|5.280970|3.239379|4.811884|3.445887|3.208844|2.676339|2.440980|2.555083|2.998729|3.466415|17.520675|0.155233|0.140665|0.235744|0.108182|0.114583|0.108463|0.105619|0.077191|0.057447|0.056100|0.073851|0.048059|0.500000| |5.491252|7.114811|0.235300|4.796394|4.473429|3.303805|2.854671|2.375706|2.226486|2.416684|2.929114|3.420710|12.359608|0.226364|17.623056|8.805489|7.702875|4.962407|5.623975|4.191358|3.367674|2.775495|2.653854|3.015071|3.815632|4.034155|8.693344|4.328448|2.772842|4.227363|2.880765|2.853064|2.471168|2.342261|2.504199|2.899594|3.151510|17.773637|0.124111|0.128271|0.166214|0.115517|0.113712|0.127687|0.135036|0.081625|0.060243|0.061920|0.085727|0.051453|0.299100|0.500000| |3.682706|4.113668|0.115509|3.250439|3.135621|2.521570|2.332795|1.996424|1.846594|1.933063|2.235888|2.909184|7.645745|0.147272|9.031714|17.701046|12.442151|5.721830|4.971725|7.379265|5.085472|4.037815|3.934530|4.792850|6.885750|6.903143|13.673809|6.539676|4.144717|5.922951|3.897118|3.794093|3.249654|2.957903|3.037001|3.457429|3.948910|20.427387|0.093905|0.087219|0.113610|0.079276|0.084920|0.094875|0.089080|0.068786|0.052243|0.049780|0.063312|0.043567|0.218799|0.213113|0.500000| |3.714057|4.592835|0.127152|3.796951|3.912997|3.041975|2.808818|2.341757|2.128725|2.221530|2.611638|3.303995|9.380998|0.213366|8.823914|17.416500|12.294363|7.130353|5.811901|6.462115|5.204873|3.917983|3.502172|3.846102|5.013446|4.455692|8.320013|4.700268|3.219508|4.815960|2.897614|2.825097|2.540913|2.378609|2.434109|2.675013|2.911496|17.208590|0.095503|0.087870|0.106390|0.088930|0.098286|0.126369|0.110628|0.084141|0.060885|0.056315|0.072999|0.049063|0.173889|0.213765|0.301925|0.500000| |3.784338|4.083173|0.097192|3.703270|3.441652|2.892026|2.930702|2.465606|2.145547|2.127113|2.409242|3.372335|7.622161|0.146146|4.962389|5.717397|12.489303|17.619848|8.994886|7.299082|6.832792|4.740285|3.891695|4.004074|5.024577|4.080727|7.136830|4.449229|3.195310|4.814218|2.690362|2.393337|2.153820|1.942336|1.912254|2.069254|2.330796|13.434007|0.113157|0.086874|0.104167|0.086119|0.111648|0.110156|0.086252|0.093973|0.066684|0.053156|0.064133|0.049102|0.131013|0.109065|0.127656|0.144464|0.500000| |3.765753|4.553392|0.111151|4.209158|4.264668|3.423329|3.409239|2.772879|2.392700|2.393991|2.774374|3.693536|9.303371|0.210284|5.747736|7.056267|12.220987|17.420942|8.829952|6.404851|6.133988|4.262227|3.480456|3.552456|4.417514|3.667175|6.563430|4.019589|2.876673|4.381822|2.474295|2.297929|2.092067|1.930135|1.927631|2.080857|2.287833|13.753111|0.106136|0.087471|0.101124|0.094447|0.120878|0.148459|0.107229|0.110499|0.073708|0.059196|0.073722|0.053639|0.133476|0.129330|0.143724|0.210665|0.301679|0.500000| |5.835150|6.973861|0.142762|6.846849|5.583000|4.343441|4.296150|3.346153|2.836823|2.845671|3.372245|4.275811|12.330100|0.224453|5.613155|4.976434|7.722934|8.802483|17.646459|4.177914|3.762999|2.978575|2.640205|2.782642|3.381148|3.144826|6.005145|3.514775|2.422139|3.756939|2.270481|2.088184|1.869594|1.728538|1.750764|1.922822|2.121950|12.558540|0.183900|0.126938|0.139593|0.141111|0.234639|0.177483|0.126327|0.140885|0.087094|0.069047|0.088081|0.061603|0.142868|0.126590|0.109250|0.130491|0.212847|0.214997|0.500000| |7.049048|6.782745|0.143473|5.250760|4.147724|3.295951|3.146647|2.600816|2.312257|2.365576|2.758675|3.576078|12.390914|0.182412|7.029455|5.859807|9.739047|8.880102|17.674163|4.985800|4.056445|3.209662|2.954462|3.274929|4.182207|4.075823|8.153249|4.354586|2.883558|4.368258|2.784315|2.486433|2.162031|1.960209|1.983815|2.220574|2.526275|13.898527|0.225133|0.140531|0.193521|0.119777|0.158358|0.122543|0.103376|0.096645|0.068129|0.059181|0.074984|0.052515|0.210152|0.143609|0.131059|0.134527|0.217981|0.173706|0.299796|0.500000| |2.678987|2.941125|0.075626|2.719925|2.731087|2.370534|2.402526|2.087036|1.849108|1.832074|2.037857|2.959325|5.196691|0.108603|3.849339|5.120820|9.567259|7.112911|4.536778|8.891701|17.730816|8.969761|5.635661|5.012477|5.685574|4.017424|6.409800|4.606160|3.612391|5.473772|2.695543|2.457456|2.299829|2.082065|2.004574|2.101617|2.327190|14.132283|0.075984|0.064758|0.075357|0.065592|0.077899|0.087681|0.071744|0.075249|0.057021|0.046443|0.054741|0.043409|0.098714|0.091689|0.126103|0.145302|0.212986|0.209838|0.113667|0.113230|0.500000| |2.067625|2.181331|0.057446|2.032064|2.029406|1.822590|1.848907|1.662273|1.503855|1.487935|1.619500|2.458783|3.582699|0.073482|2.749040|3.424412|5.647612|3.856249|2.962474|5.618896|8.956212|17.730889|8.915409|5.714092|4.988424|3.603482|5.439764|4.614552|4.047124|6.490892|2.701502|2.452907|2.393730|2.145779|1.993093|2.022316|2.227622|14.038838|0.058534|0.051417|0.059045|0.050766|0.057858|0.062657|0.054306|0.056451|0.045875|0.038342|0.043845|0.036388|0.073811|0.068512|0.093604|0.094822|0.116135|0.107180|0.076154|0.079084|0.218575|0.500000| |1.938430|1.984025|0.053065|1.805839|1.767589|1.584989|1.578521|1.430622|1.318249|1.320506|1.435728|2.166080|3.174990|0.063403|2.551599|3.098993|4.867658|3.084056|2.539901|4.864621|5.598430|8.824368|17.750333|8.899823|5.615476|4.273629|6.020737|6.227274|6.593237|11.383009|3.526568|3.114198|3.132467|2.684544|2.376899|2.362778|2.654512|16.219265|0.054323|0.048638|0.056821|0.045933|0.050790|0.053132|0.048053|0.047215|0.039190|0.034410|0.039419|0.032358|0.071218|0.064475|0.090804|0.081940|0.089886|0.081478|0.064131|0.070755|0.123817|0.212370|0.500000| |2.150583|2.059163|0.056489|1.786685|1.671946|1.482634|1.426852|1.295743|1.224677|1.257853|1.377764|2.009330|3.108049|0.058984|2.662014|2.877031|4.073705|2.494162|2.339193|3.357765|2.911802|3.006865|3.683838|4.756646|4.421935|5.764443|8.809372|12.651717|7.314406|13.157868|17.644563|8.865503|7.056221|4.700165|3.985503|4.224609|5.701682|23.556283|0.058718|0.054917|0.066961|0.046856|0.049144|0.048052|0.046430|0.041465|0.034860|0.033248|0.038783|0.030421|0.081496|0.069199|0.090449|0.070654|0.068803|0.062643|0.057788|0.069678|0.069746|0.072765|0.098694|0.500000| |2.606238|2.440500|0.067120|2.056689|1.887589|1.649501|1.568881|1.412379|1.336111|1.383028|1.530075|2.176086|3.667125|0.067946|3.240358|3.368474|4.670254|2.807446|2.716382|3.636958|2.986432|2.909273|3.371850|4.419135|4.721730|7.200689|12.856002|12.598222|5.773597|8.864166|17.643187|8.869289|5.630534|4.196977|3.986750|4.741501|7.198562|23.563131|0.070239|0.066000|0.083901|0.053964|0.056151|0.053819|0.052565|0.045461|0.037710|0.036495|0.043325|0.032957|0.103985|0.083682|0.107091|0.079838|0.075932|0.069046|0.065852|0.082787|0.072193|0.069783|0.086216|0.302247|0.500000| |1.837703|1.820372|0.050884|1.603975|1.542957|1.376756|1.322534|1.207370|1.147623|1.181152|1.289152|1.889723|2.748763|0.053663|2.355821|2.610169|3.533838|2.180379|2.015332|2.928917|2.652461|2.811613|3.441310|4.131971|3.679395|4.255573|6.607601|7.894099|5.793671|11.897245|7.004255|8.904360|17.718509|8.952978|5.669367|4.953659|5.654767|31.639693|0.049528|0.047472|0.056062|0.042127|0.043641|0.044529|0.043400|0.038240|0.032482|0.031367|0.036416|0.028702|0.068941|0.063254|0.083514|0.066884|0.059166|0.056778|0.050377|0.057912|0.064347|0.069644|0.096091|0.209296|0.142415|0.500000| |1.655377|1.663334|0.047392|1.479184|1.444483|1.296809|1.236618|1.135401|1.090203|1.129559|1.229688|1.800462|2.468009|0.048929|2.105663|2.289117|2.969229|1.873074|1.759244|2.361946|2.173820|2.252384|2.588037|2.927579|2.764224|3.085968|5.150868|4.909633|3.507468|6.602292|4.087169|5.625571|8.902152|17.749696|8.924183|5.642593|4.957874|53.809237|0.044040|0.043427|0.049997|0.039190|0.039771|0.041414|0.041207|0.035395|0.030441|0.030216|0.035007|0.027499|0.060309|0.058507|0.072874|0.060452|0.050038|0.049880|0.044479|0.049729|0.054447|0.057295|0.071902|0.111245|0.096575|0.215397|0.500000| 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