Version2.0 2020-04-08T01:00:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)c2nc(on2)C[NH+]3CCC(CC3)C(=O)NCc4ccc(cc4)CN5CCCC5=O C30976513 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)c2nc(on2)C[NH+]3CCC(CC3)C(=O)NCc4ccc(cc4)CN5CCCC5=O C01[X(C28H34N5O3)] 204 C1 608 O=C(C1CC[NH+](CC1)Cc1onc(n1)c1ccc(cc1)C)NCc1ccc(cc1)CN1CCCC1=O O=C(C1CC[NH+](CC1)Cc1onc(n1)c1ccc(cc1)C)NCc1ccc(cc1)CN1CCCC1=O Cc1ccc(cc1)c2noc(C[NH+]3CCC(CC3)C(=O)NCc4ccc(CN5CCCC5=O)cc4)n2 InChIKey=DFVLBIUOTKJHFV-UHFFFAOYSA-O InChI=1S/C28H33N5O3/c1-20-4-10-23(11-5-20)27-30-25(36-31-27)19-32-15-12-24(13-16-32)28(35)29-17-21-6-8-22(9-7-21)18-33-14-2-3-26(33)34/h4-11,24H,2-3,12-19H2,1H3,(H,29,35)/p+1 InChI=1/C28H33N5O3/c1-20-4-10-23(11-5-20)27-30-25(36-31-27)19-32-15-12-24(13-16-32)28(35)29-17-21-6-8-22(9-7-21)18-33-14-2-3-26(33)34/h4-11,24H,2-3,12-19H2,1H3,(H,29,35)/p+1/fC28H34N5O3/h29,32H/q+1 Cc1ccc(cc1)c2nc(on2)C[NH+]3CCC(CC3)C(=O)NCc4ccc(cc4)CN5CCCC5=O C01[X(C28H34N5O3)] 204 C01 608 O=C(C1CC[NH+](CC1)Cc1onc(n1)c1ccc(cc1)C)NCc1ccc(cc1)CN1CCCC1=O O=C([C@@H]1CC[NH](CC1)CC1=N[C@@H](NO1)c1ccc(cc1)C)NCc1ccc(cc1)CN1CCCC1=O Cc1ccc(cc1)[C@@H]2NOC(=N2)C[NH]3CC[C@H](CC3)C(=O)NCc4ccc(CN5CCCC5=O)cc4 InChIKey=AFYBIFGQYPBMOS-MHZLTWQESA-N InChI=1S/C28H36N5O3/c1-20-4-10-23(11-5-20)27-30-25(36-31-27)19-32-15-12-24(13-16-32)28(35)29-17-21-6-8-22(9-7-21)18-33-14-2-3-26(33)34/h4-11,24,27,31-32H,2-3,12-19H2,1H3,(H,29,35)/t27-/m0/s1 InChI=1/C28H36N5O3/c1-20-4-10-23(11-5-20)27-30-25(36-31-27)19-32-15-12-24(13-16-32)28(35)29-17-21-6-8-22(9-7-21)18-33-14-2-3-26(33)34/h4-11,24,27,31-32H,2-3,12-19H2,1H3,(H,29,35)/t27-/m0/s1/f/h29H 3386.9776081382 -1576.7710477 1-A 46004.5240 130 478 608 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 9780.2734 76071.9200 83031.9872 0.99999 0.00260 0.00201 -0.00257 0.99990 -0.01402 -0.00205 0.01402 0.99990 1 0.00886 0.00114 0.00104 0.18453 0.02372 0.02174 4.44 14.93 18.23 28.41 34.30 39.75 44.73 52.49 54.87 62.83 82.31 91.29 110.35 117.24 161.50 181.50 204.31 230.86 245.62 262.23 267.53 308.74 329.08 345.53 356.34 367.23 410.97 429.46 456.26 471.06 495.93 508.38 534.05 558.91 576.77 592.27 627.91 653.62 660.50 676.04 711.15 739.22 741.80 762.12 786.62 805.66 851.20 875.91 883.77 891.82 940.53 1001.27 1005.26 1016.87 1045.82 1049.35 1122.11 1135.95 1161.87 1166.84 1189.84 1209.17 1211.50 1229.48 1246.67 1251.79 1268.39 1318.49 1342.05 1347.84 1351.59 1367.63 1376.81 1388.38 1414.71 1433.04 1433.70 1471.45 1474.15 1485.14 1505.05 1518.93 1534.45 1565.05 1573.99 1576.15 1584.35 1588.80 1595.53 1603.90 1608.66 1610.16 1616.82 1624.80 1652.15 1661.36 1668.42 1675.56 1690.21 1706.51 1722.04 1725.76 1737.42 1738.81 1747.63 1800.38 1822.64 1838.74 1871.57 1886.43 1889.33 1895.21 1899.61 1912.04 1920.03 1920.46 1924.25 1940.61 1947.53 1962.17 1987.64 1988.72 2045.17 2049.75 2083.08 2089.25 2097.69 2098.63 2110.91 2117.30 2132.33 2140.75 2152.63 2158.94 2195.20 2197.67 2204.88 2211.16 2217.06 2243.27 2254.01 2264.26 2267.97 2278.85 2279.64 2316.43 2318.85 2325.19 2338.90 2343.85 2349.13 2349.85 2353.78 2358.62 2365.64 2373.97 2384.76 2395.23 2428.52 2428.56 2436.33 2459.09 2510.20 2555.42 2559.70 2613.65 2627.44 2691.95 2788.38 2818.94 4595.86 4621.37 4621.50 4647.34 4647.98 4658.03 4661.95 4666.48 4672.14 4691.49 4696.50 4702.84 4705.52 4717.79 4731.23 4736.96 4737.38 4741.63 4750.04 4752.74 4756.67 4788.04 4806.75 4823.25 4824.03 4826.42 4847.26 4851.00 4855.55 4874.93 4888.02 4897.36 5271.10 5591.23 0.640419 0.671709 0.672653 0.567028 -1576.130629 -1576.099339 -1576.098395 -1576.204020 3.542680D-04 MUNgauss RevisionA2.0 retrievium 08-Apr-2020 DUDE Cc1ccc(cc1)c2nc(on2)C[NH+]3CCC(CC3)C(=O)NCc4ccc(cc4)CN5CCCC5=O C30976513 RHF 6-31G(d) (6D,10F) C1 488.266165 |X|Y|Z| 68.976144 31.251388 200.674041 75.628671 33 6 7 8 27 5 1 |36.858105| |12.623304|36.858105| |7.561291|13.642262|36.858105| |5.023541|7.890491|13.839692|36.858105| |4.426501|6.816791|7.936521|13.652138|36.858105| |5.009535|7.894727|6.888295|7.926872|13.732909|36.858105| |7.539795|13.728547|7.965339|6.883213|7.931965|13.754561|36.858105| |3.301574|4.470875|5.086610|7.666113|12.991424|7.706741|5.088482|36.858105| |2.875385|3.703089|3.882454|5.058271|7.598401|6.539765|4.432410|13.715309|53.358707| |2.462618|3.056055|3.281165|4.201840|5.483744|4.621716|3.463788|9.241221|20.517419|36.858105| |2.437161|3.017298|3.397031|4.488899|5.382172|4.186336|3.256483|9.039257|11.965816|14.578806|73.516695| |2.896378|3.738252|4.458383|6.573779|7.834425|5.198453|3.943937|14.823805|11.614825|8.839475|24.380010|53.358707| |2.092385|2.500715|2.618615|3.163300|3.879639|3.540304|2.816290|5.379779|10.448069|12.740651|14.157692|7.265625|36.858105| |1.888350|2.217839|2.351888|2.806578|3.265771|2.943022|2.427550|4.324345|7.194384|7.754855|12.273498|6.345297|12.758430|53.358707| |1.896495|2.231050|2.412143|2.912110|3.311385|2.894013|2.399459|4.434164|6.851311|7.492618|14.457537|7.016902|9.368352|25.635805|0.500000| |1.657738|1.905905|1.995913|2.313731|2.629599|2.440100|2.073091|3.275314|5.285055|5.027968|8.187980|4.710044|7.674482|17.211326|0.258030|36.858105| |1.519861|1.726257|1.819311|2.085795|2.302533|2.126985|1.844861|2.787329|4.254738|3.867164|6.795415|4.097609|4.981164|10.412008|0.199664|12.515195|36.858105| |1.523206|1.725206|1.814619|2.069217|2.274184|2.109857|1.840300|2.714382|4.096507|3.606846|6.338809|3.954038|4.359702|8.781567|0.164750|7.501788|12.418669|36.858105| |1.705091|1.957957|2.081131|2.414238|2.670575|2.430415|2.089662|3.259089|4.876421|4.365281|7.837487|4.821260|4.970956|10.417856|0.200341|6.516712|7.591880|12.407537|36.858105| |1.903074|2.227330|2.351859|2.780360|3.212529|2.924951|2.434586|4.111042|6.621856|6.272496|10.182874|5.891047|7.626457|17.181460|0.258506|7.672179|6.515794|7.506339|12.519356|36.858105| |1.399368|1.566451|1.654929|1.865014|2.000966|1.853515|1.645808|2.329840|3.393069|2.902474|5.284149|3.429262|3.301394|6.034859|0.122912|4.930469|7.636130|12.449848|7.650537|4.935891|36.858105| |1.394785|1.560840|1.666125|1.882841|1.993219|1.823216|1.623507|2.320618|3.305765|2.839098|5.353318|3.490575|3.139101|5.662447|0.122647|4.450350|6.606240|8.067070|6.471628|4.407727|15.834048|73.516695| |1.305870|1.447573|1.515541|1.684779|1.800883|1.692643|1.520295|2.054262|2.989297|2.486518|4.450710|2.967318|2.797847|4.814388|0.095695|3.930520|5.395988|7.802222|5.529481|3.983305|14.252870|15.075752|53.358707| |1.208999|1.328061|1.391968|1.532712|1.615414|1.519982|1.381696|1.813518|2.593208|2.123710|3.848790|2.624249|2.328106|3.854119|0.078320|3.074326|3.979016|4.974324|4.048033|3.106755|7.752447|12.033640|17.719945|36.858105| |1.154195|1.258905|1.309224|1.427424|1.502924|1.429981|1.310520|1.663906|2.380094|1.913552|3.425042|2.373326|2.079451|3.339836|0.066863|2.626383|3.199425|3.940828|3.385697|2.726927|5.165493|7.995418|10.632631|12.610910|36.858105| |1.185676|1.291304|1.340833|1.457123|1.531361|1.460597|1.342863|1.683659|2.397411|1.907326|3.408719|2.389112|2.041386|3.245657|0.064755|2.472727|2.914401|3.660943|3.362156|2.727486|4.502111|7.034235|8.363365|7.556208|13.649622|36.858105| |1.127632|1.219225|1.257450|1.354112|1.420382|1.367473|1.267506|1.542999|2.195196|1.722513|3.055320|2.166987|1.831915|2.843238|0.056423|2.156905|2.460891|2.982966|2.793349|2.369233|3.440645|5.478477|5.955041|5.021891|7.896662|13.825659|36.858105| |1.051739|1.132272|1.163334|1.247550|1.308577|1.266125|1.177774|1.416539|2.020577|1.581455|2.793178|1.982193|1.691364|2.596740|0.051449|2.001113|2.269096|2.659886|2.438716|2.114549|3.028836|4.861286|5.188959|4.415750|6.794689|7.907615|13.644128|36.858105| |1.029827|1.110509|1.142807|1.229080|1.291010|1.246300|1.156030|1.405037|2.010559|1.585278|2.802734|1.973634|1.712998|2.644724|0.052497|2.080045|2.396414|2.763235|2.449395|2.115256|3.211441|5.151084|5.627575|5.011466|7.906697|6.906709|7.973275|13.777214|36.858105| |1.074103|1.164919|1.205152|1.305578|1.373793|1.316607|1.213187|1.510206|2.164680|1.727795|3.071595|2.139223|1.883018|2.963799|0.059096|2.362965|2.814998|3.283356|2.811358|2.362133|4.033490|6.394439|7.551722|7.558048|13.779929|7.976028|6.892244|7.896484|13.691437|36.858105| |0.998602|1.068039|1.091582|1.161680|1.215500|1.184314|1.109774|1.302749|1.853918|1.435468|2.525555|1.809991|1.523925|2.298183|0.045474|1.757373|1.946031|2.232991|2.088277|1.859916|2.458162|4.003154|4.013156|3.266942|4.408828|5.021227|7.554764|12.554313|7.522253|4.995329|36.858105| |0.973368|1.036861|1.061580|1.125222|1.168956|1.137139|1.071137|1.245144|1.756030|1.353808|2.398056|1.733468|1.420469|2.131338|0.042506|1.609492|1.772762|2.020061|1.928042|1.722528|2.227310|3.706149|3.542098|2.908654|3.752788|4.361066|6.197934|7.689675|5.361939|4.026806|13.187724|53.358707| |0.919745|0.977000|1.002451|1.060524|1.096213|1.064011|1.005036|1.165317|1.635283|1.261467|2.246914|1.628273|1.319729|1.975095|0.039667|1.494237|1.648078|1.847749|1.760338|1.576078|2.052368|3.477321|3.219047|2.692599|3.360853|3.684630|4.697176|5.703546|4.711374|3.681295|7.495173|17.875796|36.858105| |0.914216|0.967913|0.994337|1.048123|1.077171|1.044569|0.991001|1.138626|1.586359|1.218202|2.179590|1.592021|1.261622|1.879383|0.037921|1.404732|1.538644|1.721698|1.671162|1.502768|1.901496|3.261245|2.920254|2.415391|2.902708|3.249607|3.972356|4.271896|3.578209|3.016602|5.094655|11.069725|12.393658|36.858105| |0.943103|0.997337|1.020915|1.073571|1.105202|1.076229|1.022873|1.164014|1.623581|1.239920|2.208053|1.618528|1.280158|1.898120|0.038110|1.408521|1.528331|1.721854|1.690638|1.531619|1.871489|3.180369|2.861558|2.303655|2.758961|3.192848|3.996886|4.114864|3.304034|2.799830|5.130294|11.172257|7.886237|12.431681|36.858105| |0.991441|1.053480|1.076864|1.137366|1.178990|1.149404|1.086646|1.248661|1.754611|1.343951|2.379860|1.732700|1.398119|2.084955|0.041572|1.554310|1.693265|1.934469|1.885146|1.697808|2.101726|3.508566|3.278248|2.624528|3.262980|3.915771|5.355841|5.580447|4.076788|3.316888|7.757761|19.140034|8.083639|7.929334|12.562613|36.858105| |1.037467|1.103469|1.124721|1.187610|1.235211|1.208194|1.141680|1.306730|1.841321|1.405203|2.475783|1.804562|1.460235|2.172512|0.043078|1.609741|1.740618|2.006002|1.974431|1.787987|2.146426|3.547510|3.335596|2.597986|3.198256|3.937236|5.364449|5.183284|3.784626|3.163816|6.708827|11.418605|5.433426|5.350202|7.823791|15.869498|73.516695| |17.555463|8.863038|6.759737|4.617523|3.972328|4.292355|5.863541|3.054361|3.619377|2.315052|4.117870|3.732017|1.979085|2.470323|0.050759|1.595338|1.477395|1.493153|1.676601|1.851128|1.381240|2.451325|1.759816|1.202110|1.150969|1.187735|1.131786|1.053198|1.027599|1.069521|1.001681|1.333986|0.926295|0.924212|0.955142|1.001631|1.864635|0.500000| |17.594974|8.838960|5.568622|4.170125|3.958205|4.743200|7.232869|3.046003|3.743630|2.348883|4.055787|3.602700|2.027218|2.480077|0.050358|1.612251|1.474125|1.478588|1.644249|1.839398|1.355317|2.387866|1.730327|1.176120|1.127804|1.159080|1.106780|1.035117|1.012888|1.053110|0.986027|1.306300|0.905646|0.899119|0.929432|0.978162|1.822686|0.301565|0.500000| |17.553136|8.866407|6.717913|4.605886|3.974773|4.306854|5.896728|3.056193|3.624133|2.317521|4.118815|3.730049|1.983164|2.441423|0.050336|1.586617|1.458240|1.450656|1.611432|1.786681|1.339018|2.383464|1.699683|1.160412|1.105624|1.131036|1.075246|1.006082|0.988274|1.031671|0.955366|1.268512|0.883747|0.878367|0.903201|0.947095|1.755870|0.302295|0.301624|0.500000| |7.026377|8.893566|17.712928|8.976827|5.649204|4.959599|5.656485|4.136585|4.431092|2.862179|5.374554|5.267996|2.339119|2.919147|0.061581|1.842660|1.702988|1.701049|1.938778|2.147316|1.571251|2.830643|1.964439|1.336804|1.258676|1.289519|1.211287|1.121692|1.101512|1.160118|1.054398|1.401788|0.976047|0.971545|0.996046|1.045709|1.936584|0.192821|0.140680|0.190480|0.500000| |4.099723|5.627091|8.952756|17.736234|8.882716|5.640281|4.958781|7.062007|6.350131|4.161757|8.500251|9.981936|3.142223|3.898795|0.084613|2.353559|2.148716|2.126372|2.493645|2.821592|1.933916|3.514470|2.359676|1.582696|1.463425|1.490386|1.377354|1.266139|1.249827|1.333513|1.174278|1.551339|1.077267|1.065942|1.087765|1.150048|2.127718|0.108845|0.096000|0.108479|0.216754|0.500000| |4.088786|5.633424|4.962157|5.638506|8.913464|17.745627|8.928631|7.108117|10.108674|4.975752|7.443130|6.541615|3.903669|4.269923|0.083541|2.606039|2.229685|2.205676|2.524184|3.106801|1.910525|3.304569|2.379613|1.557560|1.467887|1.496578|1.402279|1.300963|1.282235|1.354232|1.216556|1.581362|1.083579|1.059147|1.092507|1.172226|2.195257|0.099368|0.112979|0.099771|0.107674|0.123972|0.500000| |6.977791|8.919583|5.652811|4.957729|5.651902|8.951582|17.722421|4.142621|5.270738|3.087836|5.072470|4.499089|2.605387|3.063884|0.061138|1.955568|1.741783|1.740176|1.952267|2.264097|1.558173|2.716827|1.975325|1.321243|1.261211|1.293218|1.227849|1.145422|1.123239|1.173402|1.084436|1.423542|0.980567|0.966252|0.999529|1.062098|1.986680|0.151299|0.221661|0.152565|0.124153|0.107630|0.216408|0.500000| |1.998436|2.364645|2.472832|2.950859|3.542185|3.257416|2.641175|4.723026|8.513938|8.992746|11.983745|6.480892|17.608205|12.373030|0.218869|7.358993|4.755860|3.906137|4.157402|5.586940|3.060694|5.253009|3.552558|2.203188|1.963197|1.904371|1.715325|1.600883|1.635333|1.798996|1.446384|1.835680|1.261037|1.203536|1.215140|1.321630|2.440139|0.052217|0.053850|0.053250|0.061848|0.081817|0.098941|0.068283|0.500000| |2.076388|2.464073|2.516424|2.971000|3.682626|3.539678|2.829623|4.815132|9.695024|8.961350|10.372232|6.074603|17.660062|12.283965|0.181360|6.768951|4.528096|4.157321|4.627777|7.111776|3.134698|5.161896|3.723722|2.269710|2.063532|2.039020|1.847657|1.710580|1.725157|1.880174|1.549438|1.956291|1.327806|1.266237|1.291824|1.417548|2.646577|0.054495|0.056596|0.054276|0.062181|0.080091|0.112508|0.074115|0.300386|0.500000| |1.635396|1.876664|1.967095|2.276648|2.576088|2.388807|2.035954|3.195505|5.109624|4.832669|7.976206|4.613078|7.220550|12.358666|0.223015|17.625231|8.805139|5.472554|4.892125|5.604597|4.100618|6.915084|4.574951|2.744061|2.358500|2.207911|1.947531|1.828776|1.911441|2.159295|1.620207|2.030011|1.396535|1.315323|1.313611|1.438586|2.634745|0.043485|0.044157|0.043803|0.050550|0.064458|0.070674|0.053361|0.231636|0.169906|0.500000| |1.635350|1.871475|1.930509|2.211888|2.536925|2.413681|2.057839|3.097618|5.119463|4.625702|7.146744|4.287401|7.077318|12.419758|0.181680|17.602648|8.748824|6.714572|5.754977|7.047564|4.463384|6.882999|5.162897|2.958880|2.602441|2.466449|2.179848|2.034577|2.108945|2.369140|1.796876|2.221673|1.505182|1.408763|1.420387|1.577177|2.920105|0.043662|0.044547|0.043311|0.049327|0.061557|0.072785|0.054536|0.183987|0.204499|0.300985|0.500000| |1.518289|1.724917|1.839169|2.118091|2.304698|2.095731|1.823130|2.795779|4.142327|3.790887|7.040860|4.234220|4.615549|9.327862|0.209761|8.855068|17.572294|8.871988|6.790032|5.673958|7.248525|13.396840|6.737469|3.883353|3.056320|2.778779|2.339768|2.155214|2.277526|2.681689|1.852055|2.324316|1.603611|1.507254|1.487994|1.632493|2.963685|0.041057|0.040651|0.040657|0.048123|0.061473|0.060202|0.047490|0.125486|0.111718|0.214905|0.172676|0.500000| |1.411262|1.587607|1.660833|1.879771|2.062771|1.931232|1.694593|2.444580|3.717235|3.271102|5.684864|3.540399|4.147470|7.602418|0.145530|8.993295|17.569501|8.777039|5.507651|4.893879|6.796567|10.345942|7.283657|4.031755|3.255004|2.878829|2.450000|2.306767|2.487083|2.946259|1.975402|2.427195|1.664036|1.538788|1.519552|1.685943|3.063346|0.038093|0.038191|0.037744|0.043361|0.053531|0.056342|0.044798|0.114549|0.108662|0.213365|0.213694|0.303910|0.500000| |1.489496|1.678898|1.744020|1.969105|2.179158|2.060302|1.804775|2.564098|3.932386|3.368619|5.704116|3.632707|4.120219|7.655221|0.135529|6.726723|8.839659|17.524059|8.844697|6.741938|8.781424|10.439090|10.272172|4.778379|4.046295|3.792467|3.144826|2.823179|2.925165|3.432303|2.371402|2.870392|1.904896|1.758902|1.772048|2.015923|3.747761|0.040532|0.040444|0.039293|0.045289|0.055508|0.060474|0.047847|0.102404|0.115455|0.138278|0.195823|0.174159|0.215189|0.500000| |1.718072|1.975460|2.134306|2.495275|2.706695|2.408896|2.078039|3.316190|4.760108|4.299444|8.333474|5.124884|4.614226|9.351790|0.211144|5.684173|6.789214|8.854152|17.564448|8.859360|7.243494|12.991118|6.873403|3.945425|3.224453|3.184336|2.638615|2.307078|2.323780|2.675589|1.980503|2.523133|1.712535|1.639069|1.646534|1.813837|3.347996|0.047059|0.045639|0.045314|0.055660|0.073052|0.068263|0.053436|0.110367|0.113914|0.127660|0.132366|0.198285|0.138897|0.174048|0.500000| |1.690590|1.928493|2.038640|2.336052|2.563294|2.359598|2.052544|3.040002|4.479770|3.810375|6.780881|4.407310|4.135101|7.602381|0.145940|4.891693|5.508647|8.775274|17.571142|8.994367|6.821712|10.079047|7.602098|4.160470|3.618276|3.768012|3.113135|2.642966|2.592401|2.940411|2.255095|2.837606|1.879414|1.790442|1.829154|2.057328|3.872791|0.046525|0.045390|0.044147|0.052918|0.066633|0.067873|0.053512|0.096859|0.111676|0.107749|0.129121|0.138992|0.123108|0.215367|0.303750|0.500000| |1.866040|2.168450|2.242243|2.602730|3.039762|2.872296|2.404555|3.764087|6.283559|5.522887|8.342307|5.108019|7.033187|12.421598|0.181944|7.067597|5.776106|6.741536|8.755040|17.604954|4.477002|6.844245|5.237053|2.991848|2.702929|2.720336|2.400442|2.155309|2.147577|2.371031|1.907639|2.383089|1.589357|1.507831|1.546777|1.727647|3.258462|0.050314|0.050652|0.048473|0.056659|0.071885|0.086735|0.063090|0.145774|0.216544|0.144670|0.214874|0.132551|0.129651|0.197107|0.172738|0.213362|0.500000| |2.103203|2.501658|2.670599|3.222935|3.770217|3.347909|2.737100|4.960696|7.804344|7.247115|12.066684|7.132726|7.150363|12.324026|0.222975|5.602421|4.887426|5.474838|8.811391|17.644290|4.104568|6.825522|4.651018|2.782899|2.484029|2.531785|2.227472|1.980506|1.958376|2.158512|1.761549|2.247286|1.513996|1.458465|1.493493|1.643746|3.085869|0.056962|0.056059|0.054399|0.067116|0.090925|0.097643|0.069648|0.143862|0.182226|0.126451|0.144467|0.127263|0.107725|0.138637|0.214725|0.213847|0.300857|0.500000| |1.301728|1.441142|1.496823|1.657807|1.785266|1.695695|1.523461|2.028798|2.989007|2.464415|4.318696|2.886553|2.805067|4.748024|0.091562|3.924332|5.124435|7.412484|5.253103|3.984620|9.406861|10.848889|26.075154|9.013497|7.506741|6.196469|4.608035|4.061622|4.380225|5.695057|3.137250|3.670880|2.405636|2.158893|2.140443|2.492787|4.564459|0.035753|0.035364|0.034492|0.039450|0.046988|0.049016|0.040613|0.072369|0.077917|0.092321|0.109988|0.123661|0.144653|0.238946|0.125949|0.151369|0.111931|0.094068|0.500000| |1.230975|1.352876|1.427605|1.574453|1.645971|1.536454|1.398466|1.846108|2.605316|2.134347|3.933044|2.699070|2.297040|3.805131|0.078905|2.942968|3.765297|4.664030|4.071043|3.081268|7.290942|13.169406|12.555298|17.625794|8.845696|6.876634|4.646332|3.954584|4.253047|5.780283|3.019321|3.799683|2.618024|2.410446|2.292866|2.565104|4.501824|0.034107|0.033125|0.032837|0.038234|0.045474|0.043420|0.036981|0.060203|0.061511|0.073399|0.077256|0.106116|0.102267|0.118686|0.115466|0.117164|0.080555|0.078189|0.182922|0.500000| |1.158253|1.269294|1.329860|1.461603|1.537715|1.448147|1.319037|1.724111|2.464977|2.020841|3.666127|2.497401|2.227036|3.652635|0.074659|2.981011|3.875127|4.470227|3.573348|2.839200|6.606113|11.052583|12.385576|17.585167|8.875054|5.590485|4.183603|3.960096|4.751594|7.261976|3.020548|3.668797|2.558719|2.280930|2.144784|2.406943|4.184319|0.031915|0.031312|0.031005|0.035538|0.041956|0.041219|0.035079|0.059481|0.060069|0.075529|0.079317|0.106768|0.113630|0.118661|0.097983|0.098368|0.075957|0.070621|0.195484|0.303456|0.500000| |1.257131|1.374750|1.434049|1.565106|1.642856|1.557422|1.427429|1.811986|2.567162|2.046761|3.683445|2.584189|2.169419|3.480590|0.069805|2.590642|3.050206|3.943919|3.791022|2.996526|4.858943|7.656387|8.514663|7.017598|8.889713|17.692079|8.960309|5.634391|4.967541|5.660690|4.099384|5.119086|3.228403|2.985233|2.992633|3.573437|6.553577|0.035062|0.034031|0.033223|0.038294|0.044605|0.044185|0.038018|0.055629|0.059890|0.063683|0.071103|0.081360|0.081403|0.110912|0.100454|0.122484|0.081923|0.078000|0.167692|0.200017|0.141157|0.500000| |1.142426|1.232047|1.268262|1.360321|1.423570|1.374355|1.279009|1.535828|2.175919|1.692845|3.000257|2.147664|1.780880|2.736266|0.054280|2.040968|2.285245|2.760220|2.672353|2.300735|3.090338|4.978675|5.099905|4.095566|5.626479|8.938718|17.720534|8.906945|5.665511|4.962245|7.046445|8.860011|4.676430|4.196503|4.526722|6.389495|12.326194|0.031962|0.031171|0.030184|0.033968|0.038354|0.039078|0.034460|0.046106|0.050058|0.051236|0.057405|0.060492|0.062457|0.080643|0.070236|0.083917|0.064930|0.060960|0.109203|0.109744|0.096221|0.216133|0.500000| |0.978457|1.051482|1.079228|1.156557|1.213723|1.175823|1.094292|1.315745|1.883070|1.479298|2.609310|1.842755|1.598884|2.442112|0.048472|1.929850|2.197184|2.468780|2.190777|1.926599|2.809978|4.564376|4.748663|4.093253|5.642144|4.968450|5.653267|8.926299|17.703165|8.924418|6.956151|6.851811|4.688808|3.465142|3.149403|3.782186|6.147405|0.027093|0.026780|0.026136|0.028925|0.032615|0.033623|0.029614|0.042700|0.044805|0.049779|0.054530|0.058121|0.063955|0.072570|0.057912|0.063624|0.054486|0.049668|0.102451|0.098359|0.113228|0.107753|0.124270|0.500000| |1.047803|1.136234|1.176046|1.274806|1.341481|1.284775|1.183254|1.477523|2.120576|1.698869|3.022678|2.097110|1.863284|2.929237|0.058594|2.375717|2.851505|3.210884|2.693482|2.284033|3.943574|6.356452|7.126778|6.988322|8.923288|5.653525|4.960758|5.636249|8.916699|17.700453|4.081128|4.622987|3.228620|2.681678|2.469737|2.841337|4.812063|0.028907|0.028534|0.028039|0.031459|0.036205|0.036726|0.031791|0.049953|0.051479|0.060991|0.065913|0.075867|0.084886|0.092391|0.071687|0.076333|0.063463|0.057691|0.146086|0.148107|0.221867|0.124141|0.107660|0.216403|0.500000| |0.954772|1.019227|1.040088|1.105164|1.156472|1.128983|1.059369|1.238322|1.764690|1.365993|2.399543|1.718680|1.455040|2.183580|0.043205|1.683732|1.859390|2.097562|1.942394|1.744924|2.298209|3.759498|3.722574|3.026744|3.963276|4.185634|5.585819|8.886437|7.285167|4.758518|17.560037|12.546166|7.094377|4.641192|4.448856|5.913080|9.091990|0.026554|0.026220|0.025431|0.027919|0.031010|0.032247|0.028805|0.038609|0.041108|0.043426|0.047908|0.049181|0.052962|0.061890|0.051258|0.057480|0.049765|0.045789|0.080792|0.077056|0.080044|0.096258|0.141139|0.223235|0.113406|0.500000| |1.021280|1.091984|1.111600|1.181270|1.240254|1.214274|1.138394|1.326442|1.894629|1.460061|2.551920|1.831746|1.550051|2.324778|0.045689|1.770055|1.937484|2.232690|2.105541|1.895201|2.403673|3.876790|3.887966|3.043417|3.983869|4.642558|6.800327|8.909029|5.898841|4.312759|17.620020|12.681083|5.661969|4.366191|4.811073|7.554941|13.813205|0.028458|0.028081|0.027072|0.029757|0.033036|0.034748|0.030982|0.040704|0.044093|0.045171|0.050696|0.050818|0.054408|0.066664|0.054931|0.063620|0.054546|0.049950|0.085935|0.078131|0.077493|0.109323|0.194071|0.151813|0.099792|0.302455|0.500000| |0.924219|0.984058|1.012898|1.074976|1.110780|1.073955|1.011686|1.185772|1.663504|1.290095|2.306391|1.664662|1.353659|2.038683|0.041090|1.550677|1.728211|1.935183|1.826064|1.620024|2.185482|3.723191|3.455887|2.975689|3.756379|3.985790|4.915407|6.104089|5.403394|4.219663|6.828747|12.371487|17.579773|8.689125|5.744109|5.999657|7.967651|0.025823|0.025232|0.024704|0.027402|0.030421|0.030362|0.027354|0.036009|0.037666|0.040293|0.043177|0.046910|0.048655|0.055080|0.049575|0.053864|0.045135|0.043043|0.070946|0.080351|0.079333|0.095107|0.127961|0.149415|0.102806|0.184925|0.139524|0.500000| |0.881374|0.934022|0.955704|1.008630|1.043253|1.015990|0.961610|1.106535|1.555367|1.196994|2.125386|1.541491|1.254325|1.865795|0.037401|1.417060|1.553156|1.722751|1.635158|1.478423|1.893560|3.206366|2.948786|2.432410|2.975447|3.165583|3.909725|4.830353|4.245735|3.327580|6.545736|12.364342|17.511356|8.696659|6.425796|6.390658|8.303150|0.024628|0.024154|0.023553|0.025847|0.028402|0.028779|0.026126|0.033417|0.035136|0.036958|0.039789|0.041907|0.043794|0.049510|0.044100|0.048157|0.041565|0.039420|0.061573|0.065132|0.065169|0.077580|0.107141|0.124466|0.083383|0.198404|0.144734|0.301480|0.500000| |0.936151|0.992739|1.023938|1.081482|1.108409|1.069947|1.013849|1.173636|1.628979|1.254361|2.256917|1.648849|1.295261|1.938741|0.039310|1.443925|1.590715|1.785921|1.741092|1.552765|1.994574|3.451720|3.055348|2.563404|3.060510|3.453937|4.109944|4.207103|3.563569|3.104088|4.582817|9.082247|8.830688|17.571592|8.827071|6.552016|8.562468|0.026317|0.025506|0.024993|0.027832|0.030658|0.030056|0.027376|0.034286|0.035943|0.037523|0.039980|0.043544|0.043999|0.050236|0.047785|0.051896|0.042975|0.041942|0.061935|0.072333|0.066885|0.089258|0.120236|0.093445|0.076381|0.113824|0.109256|0.224215|0.175030|0.500000| 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