Version2.1 2020-12-02T22:27:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 04-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+]1CCC2(CC1)N3[C@H](CC(=N3)c4ccc(cc4)Sc5ccccc5)c6ccccc6O2 C09461481 RHF 6-31G(d) (6D,7F) CC[NH+]1CCC2(CC1)N3[C@H](CC(=N3)c4ccc(cc4)Sc5ccccc5)c6ccccc6O2 C01[X(C28H30N3O1S1)] 183 C1 559 CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1N2N=C(C1)c1ccc(cc1)Sc1ccccc1 CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1N2N=C(C1)c1ccc(cc1)Sc1ccccc1 CC[NH+]1CCC2(CC1)Oc3ccccc3[C@H]4CC(=NN24)c5ccc(Sc6ccccc6)cc5 InChIKey=NTWLIQCRBOJYSY-AREMUKBSSA-O InChI=1S/C28H29N3OS/c1-2-30-18-16-28(17-19-30)31-26(24-10-6-7-11-27(24)32-28)20-25(29-31)21-12-14-23(15-13-21)33-22-8-4-3-5-9-22/h3-15,26H,2,16-20H2,1H3/p+1/t26-/m1/s1 InChI=1/C28H29N3OS/c1-2-30-18-16-28(17-19-30)31-26(24-10-6-7-11-27(24)32-28)20-25(29-31)21-12-14-23(15-13-21)33-22-8-4-3-5-9-22/h3-15,26H,2,16-20H2,1H3/p+1/t26-/m1/s1/fC28H30N3OS/h30H/q+1 CC[NH+]1CCC2(CC1)N3[C@H](CC(=N3)c4ccc(cc4)Sc5ccccc5)c6ccccc6O2 C01[X(C28H30N3O1S1)] 183 C01 559 CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1N2N=C(C1)c1ccc(cc1)Sc1ccccc1 CC[NH]1CCC2(CC1)O[C]1[CH][CH][CH][CH][C]1[C@@H]1N2N=C(C1)[C]1[CH][CH][C]([CH][CH]1)S[C]1[CH][CH][CH][CH][CH]1 CC[NH]1CCC2(CC1)O[C]3[CH][CH][CH][CH][C]3[C@H]4CC(=NN24)[C]5[CH][CH][C]([CH][CH]5)S[C]6[CH][CH][CH][CH][CH]6 InChIKey=NDKFOFSIQPYHDZ-AREMUKBSSA-N InChI=1S/C28H30N3OS/c1-2-30-18-16-28(17-19-30)31-26(24-10-6-7-11-27(24)32-28)20-25(29-31)21-12-14-23(15-13-21)33-22-8-4-3-5-9-22/h3-15,26,30H,2,16-20H2,1H3/t26-/m1/s1 InChI=1/C28H30N3OS/c1-2-30-18-16-28(17-19-30)31-26(24-10-6-7-11-27(24)32-28)20-25(29-31)21-12-14-23(15-13-21)33-22-8-4-3-5-9-22/h3-15,26,30H,2,16-20H2,1H3/t26-/m1/s1 3383.3082436272 -1713.2961852 1-A 22401.6841 121 438 559 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.01078 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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| 5.0983 20.7612 23.7627 32.6715 39.0757 47.5840 52.1607 71.2300 79.4824 86.5627 135.7966 149.6282 157.3113 178.6984 206.0671 213.0613 228.3456 253.6156 261.5302 275.2852 297.9825 299.0951 310.7176 337.4754 351.7667 372.6155 393.0413 428.1852 448.8232 451.6031 456.5072 461.8519 478.5597 489.6146 501.1029 511.4118 521.5647 542.0230 550.2173 577.8835 584.3032 595.6962 602.7381 621.2703 644.6326 671.8516 676.0669 683.7665 697.5829 765.2495 774.7077 778.6222 793.3894 798.6726 806.3546 825.9644 852.7916 859.3301 870.2955 871.9019 887.8155 922.9843 928.7841 935.9735 946.8489 956.2995 960.6759 973.8573 984.9954 1008.1658 1019.3294 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7.34 29.87 34.19 47.01 56.22 68.46 75.05 102.48 114.36 124.54 195.38 215.28 226.34 257.11 296.48 306.55 328.54 364.90 376.28 396.07 428.73 430.33 447.05 485.55 506.11 536.11 565.50 616.06 645.76 649.76 656.81 664.50 688.54 704.45 720.98 735.81 750.42 779.85 791.64 831.45 840.68 857.07 867.21 893.87 927.48 966.64 972.71 983.79 1003.67 1101.02 1114.63 1120.26 1141.51 1149.11 1160.16 1188.38 1226.98 1236.38 1252.16 1254.47 1277.37 1327.97 1336.31 1346.66 1362.30 1375.90 1382.20 1401.16 1417.19 1450.53 1466.59 1520.68 1536.91 1542.63 1553.74 1563.08 1567.07 1569.23 1591.02 1593.45 1595.95 1602.87 1616.17 1616.89 1617.52 1624.43 1632.35 1633.23 1637.95 1646.88 1697.30 1698.47 1729.03 1737.25 1741.05 1743.43 1746.96 1752.26 1754.78 1776.72 1785.14 1815.56 1852.72 1855.78 1858.71 1872.86 1896.82 1903.43 1913.61 1916.82 1924.59 1950.60 1984.81 2001.62 2025.13 2031.33 2043.55 2096.83 2099.28 2105.94 2117.60 2126.38 2151.66 2155.90 2184.83 2191.02 2209.13 2243.73 2246.59 2249.01 2272.72 2280.68 2296.25 2308.13 2339.39 2340.46 2345.22 2346.39 2355.92 2360.78 2367.05 2371.06 2380.01 2393.51 2397.35 2417.61 2515.87 2554.43 2573.57 2575.47 2595.16 2614.67 2735.63 4635.36 4636.56 4652.65 4662.98 4666.73 4708.99 4726.80 4734.48 4741.13 4751.72 4762.90 4766.19 4799.29 4817.70 4823.68 4826.10 4833.26 4841.27 4850.30 4855.94 4860.64 4871.72 4875.95 4881.76 4883.43 4883.59 4890.17 4895.62 4911.24 5304.95 0.571928 0.597863 0.598808 0.511091 -1712.724258 -1712.698322 -1712.697378 -1712.785095 2.942043D-04 MUNgauss RevisionA2.0 retrievium 02-Dec-2020 DUDE CC[NH+]1CCC2(CC1)N3[C@H](CC(=N3)c4ccc(cc4)Sc5ccccc5)c6ccccc6O2 C09461481 RHF 6-31G(d) (6D,10F) C1 456.210960 |X|Y|Z| 65.223561 40.908775 128.350228 69.963664 31 6 7 8 16 26 3 1 1 |36.858105| |12.520399|36.858105| |7.531298|12.664125|53.358707| |7.218182|9.328114|25.696516|0.500000| |6.136599|7.584004|17.221506|0.258929|36.858105| |4.253068|4.939274|10.368882|0.197264|12.508556|36.858105| |3.547633|4.364613|8.760764|0.162028|7.520306|12.392453|36.858105| |3.803371|4.972703|10.400208|0.198434|6.547989|7.697299|12.481585|36.858105| |4.952223|7.667130|17.186783|0.259009|7.654213|6.542624|7.561254|12.551097|36.858105| |3.290433|4.085460|7.330099|0.127152|6.440506|7.865157|13.237199|7.779868|6.424980|53.358707| |2.826133|3.289000|5.502262|0.099679|5.075235|6.280339|7.725394|5.010892|4.342736|17.565349|36.858105| |2.990869|3.401786|5.562508|0.099917|5.495953|6.377201|6.433586|4.407513|4.088890|12.331788|17.578501|0.500000| |2.466259|2.873536|4.531991|0.082237|3.847834|4.281570|5.246177|4.073231|3.706530|11.142122|12.404160|0.244109|36.858105| |2.499562|3.007813|4.780935|0.086479|3.776359|4.144939|5.607720|4.766810|4.249212|11.864349|8.112582|0.164558|12.607322|36.858105| |2.869700|3.580321|6.008484|0.106855|4.625472|5.171851|8.047679|6.927616|5.794761|18.469720|8.158664|0.165892|8.245430|15.119767|53.358707| |2.171548|2.575831|3.931433|0.072537|2.977908|3.171639|4.043726|3.779281|3.478801|7.191960|5.043997|0.114487|7.213643|12.922882|10.786737|36.858105| |2.108854|2.515549|3.811811|0.071270|2.762347|2.915070|3.725299|3.773176|3.474770|6.068551|3.973931|0.092872|4.883821|7.632136|8.990880|13.669880|36.858105| |1.858274|2.173295|3.208320|0.060797|2.311485|2.407618|2.938362|3.003905|2.834137|4.593671|3.127718|0.075826|3.769965|5.058245|6.086362|7.889826|13.813517|36.858105| |1.705822|1.961578|2.859911|0.054249|2.100320|2.178649|2.582435|2.561226|2.444570|4.070168|2.910057|0.071841|3.610212|4.457124|5.113680|6.803730|7.927862|13.680042|36.858105| |1.737761|1.989013|2.908456|0.054784|2.189750|2.279142|2.681642|2.563045|2.445554|4.363096|3.261084|0.080548|4.306939|5.062712|5.390616|7.898500|6.899367|7.945781|13.710839|36.858105| |1.938799|2.243166|3.338252|0.062124|2.563095|2.696686|3.241728|2.995571|2.825360|5.568972|4.259716|0.102006|6.262590|7.651852|7.116629|13.705288|7.971483|6.888447|7.919169|13.780396|36.858105| |1.489822|1.683974|2.413833|0.046305|1.762244|1.811711|2.085336|2.088835|2.019559|3.182686|2.293112|0.058098|2.723319|3.148290|3.793199|4.161822|4.670849|6.776422|10.700307|7.042130|4.750133|388.023441| |1.446209|1.633536|2.345539|0.045484|1.683833|1.736801|2.004551|2.058285|1.976996|2.970281|2.093887|0.052950|2.392475|2.800983|3.530552|3.543352|4.269205|6.149241|6.762992|4.655321|3.660877|75.921320|36.858105| |1.389812|1.560561|2.262943|0.044272|1.629742|1.704437|1.970665|2.016617|1.900761|2.873474|2.038803|0.051319|2.295259|2.662344|3.384541|3.283454|3.906248|5.220544|5.416954|4.056855|3.339151|49.055087|13.696308|36.858105| |1.336280|1.493569|2.160656|0.042631|1.541543|1.610508|1.849684|1.919762|1.810148|2.643296|1.857978|0.047021|2.041325|2.351775|3.070152|2.790248|3.312308|4.133581|4.011043|3.180030|2.757034|33.450974|7.927804|13.765691|36.858105| |1.331620|1.488814|2.131221|0.042077|1.503555|1.552105|1.769835|1.864286|1.785897|2.517509|1.748608|0.044591|1.904558|2.195286|2.909028|2.569163|3.064138|3.768213|3.574400|2.854815|2.509640|29.722747|6.866225|7.935124|13.733481|36.858105| |1.379607|1.550050|2.197307|0.043066|1.544098|1.574833|1.792240|1.894697|1.846304|2.578797|1.781158|0.045604|1.956913|2.268116|2.996077|2.684137|3.224138|4.067410|3.884612|3.038112|2.634715|33.487960|7.925056|6.867086|7.934066|13.757843|36.858105| |1.439736|1.626592|2.306935|0.044793|1.633920|1.663422|1.903049|1.989284|1.944484|2.793431|1.939886|0.049525|2.178788|2.545160|3.289260|3.117742|3.769582|5.099683|5.125220|3.777629|3.131275|49.231869|13.717210|7.920925|6.869119|7.936246|13.738897|36.858105| |2.510471|2.825272|4.742055|0.090681|4.245358|5.755581|6.897119|4.539114|3.686161|10.463803|12.547821|0.246838|7.444168|5.864682|8.089862|4.219541|3.511676|2.853143|2.666058|2.939766|3.676763|15.269738|1.995548|1.989491|1.828590|1.703295|1.705543|1.834890|36.858105| |2.177561|2.382153|3.834046|0.074321|3.367489|4.233385|4.600778|3.411073|2.910424|6.848894|7.498116|0.184798|6.030245|4.588536|5.879709|3.639562|3.037279|2.572952|2.486408|2.786684|3.405947|14.561197|1.886199|1.893554|1.736238|1.606556|1.600820|1.722397|13.666035|36.858105| |1.968745|2.119258|3.383201|0.067178|2.887322|3.608591|3.845883|3.011113|2.554813|5.303025|4.996292|0.127139|4.286883|3.616841|4.752611|3.056440|2.665956|2.319618|2.245457|2.464913|2.892133|13.470592|1.773764|1.808717|1.676018|1.544577|1.521616|1.619454|7.883102|13.816946|36.858105| |1.987732|2.139899|3.467502|0.070269|2.897517|3.725173|4.027869|3.209778|2.635829|5.151184|4.424492|0.110471|3.720215|3.384820|4.659085|2.890690|2.617126|2.277261|2.159595|2.306305|2.660736|13.027849|1.753789|1.806437|1.695947|1.565055|1.529405|1.609569|6.834167|7.962546|13.697442|36.858105| |2.229268|2.440116|4.089330|0.083518|3.397870|4.638074|5.298566|4.082787|3.162550|6.236251|5.004349|0.120060|3.973990|3.792246|5.526350|3.142822|2.890381|2.455620|2.266484|2.382663|2.773307|13.489127|1.835614|1.884259|1.777500|1.650274|1.616026|1.695779|7.882001|6.893444|7.935114|13.821098|36.858105| |2.547366|2.868372|4.968681|0.098513|4.271617|6.260308|8.073975|5.280888|3.922907|9.345738|7.559952|0.165604|5.257363|4.969193|7.580757|3.790076|3.381334|2.761648|2.515391|2.671161|3.219568|14.585824|1.960464|1.979722|1.848479|1.725288|1.710930|1.814433|13.768882|7.997443|6.897492|7.971371|13.723345|36.858105| |2.897644|3.369983|6.195095|0.124113|5.079295|7.913841|13.612111|8.185233|5.157336|10.929918|6.627269|0.148520|4.766552|5.028825|8.753476|3.829660|3.577639|2.871413|2.534310|2.619584|3.123883|14.658522|2.002942|2.010741|1.895635|1.790514|1.783161|1.879189|7.937310|5.220559|4.617965|5.274499|8.120727|13.961932|73.516695| |17.610008|8.724679|8.977319|0.171245|6.556341|4.434676|3.534231|3.570752|4.417212|4.530714|2.946627|0.089094|2.538845|2.502042|3.853333|2.152336|2.054569|1.809224|1.677709|1.728916|1.940419|10.411344|1.408957|1.355495|1.297386|1.286001|1.330123|1.393864|2.608446|2.280171|2.049841|2.047465|2.273726|2.602294|5.144492|0.500000| |17.589115|8.959768|7.539902|0.147059|4.652616|3.452975|3.009842|3.239676|4.152161|3.904212|2.503388|0.073305|2.245785|2.284661|3.507651|2.025246|1.979749|1.767703|1.631321|1.655793|1.827467|10.234810|1.398586|1.338395|1.289633|1.292596|1.345252|1.401832|2.228106|1.962217|1.783242|1.792389|1.986291|2.243488|4.472007|0.303224|0.500000| |17.550979|8.777236|9.365873|0.215184|5.521805|4.146125|3.438775|3.748915|4.649990|4.180103|2.650742|0.076928|2.299195|2.340368|3.666103|2.045127|2.004044|1.773443|1.623694|1.644644|1.824732|10.134931|1.395743|1.351091|1.307129|1.302450|1.341024|1.389525|2.424768|2.110139|1.937004|1.984278|2.237859|2.517103|5.130324|0.300047|0.302749|0.500000| |8.861255|17.627998|12.453327|0.220744|5.597175|4.160075|3.932434|4.781488|7.449098|4.994028|2.949126|0.082639|2.647545|2.848441|4.612904|2.504808|2.510521|2.189802|1.957862|1.954495|2.174333|12.032075|1.661156|1.584345|1.526776|1.534549|1.602165|1.670433|2.577135|2.188514|1.970028|2.005928|2.288564|2.652148|5.578400|0.172656|0.218750|0.208766|0.500000| |8.776231|17.625122|12.422040|0.182180|7.100662|4.650610|4.242124|4.603849|6.924499|5.833018|3.471975|0.101137|3.100217|3.224695|5.144400|2.752631|2.648558|2.281282|2.072544|2.120484|2.407781|12.578800|1.693814|1.603083|1.521718|1.516114|1.590354|1.685304|2.875407|2.432318|2.131361|2.114835|2.382607|2.828755|5.774335|0.211161|0.209616|0.172167|0.302223|0.500000| |5.521582|7.063260|12.443557|0.182291|17.650280|8.806413|6.789765|5.756390|6.978853|9.721843|5.673942|0.179010|4.384367|4.205312|6.871943|3.253851|2.944354|2.446928|2.239846|2.366563|2.809474|13.244523|1.753595|1.680743|1.575460|1.535793|1.589068|1.698557|4.326450|3.450328|2.875610|2.799779|3.205059|4.073099|8.215092|0.167152|0.123603|0.130232|0.146378|0.218971|0.500000| |7.008933|7.043281|12.353362|0.225440|17.658985|8.829453|5.485154|4.924279|5.599475|6.567966|4.197294|0.130209|3.286151|3.153408|5.016076|2.567967|2.392377|2.046750|1.884549|1.966072|2.267647|11.432529|1.538374|1.492479|1.417933|1.386017|1.421165|1.497222|3.686299|3.068874|2.690179|2.695204|3.083802|3.699139|7.448000|0.236297|0.141775|0.176925|0.143122|0.177369|0.300438|0.500000| |3.740407|4.116869|7.583329|0.144861|8.976278|17.601537|8.726712|5.540646|4.887840|9.693260|7.012270|0.218686|4.506414|4.034063|6.401060|3.078995|2.756995|2.299777|2.121799|2.257910|2.686879|12.591586|1.679047|1.650628|1.551772|1.487117|1.506387|1.597290|6.681202|4.981873|4.123407|4.103821|4.913110|6.617744|12.303864|0.112702|0.086512|0.100384|0.096907|0.111876|0.213739|0.214563|0.500000| |4.133626|4.555979|9.296824|0.207023|8.822944|17.551109|8.892822|6.999268|5.753568|7.747454|4.815534|0.133405|3.528455|3.484023|5.779937|2.787687|2.629281|2.212618|2.001336|2.068046|2.397196|12.012554|1.640892|1.623901|1.549992|1.496656|1.508478|1.577324|4.866047|3.784247|3.417058|3.687297|4.671025|5.760131|13.205567|0.117646|0.093095|0.118508|0.110010|0.113559|0.172940|0.213805|0.304766|0.500000| |3.228821|4.137787|7.586313|0.145378|4.891612|5.563065|8.863571|17.669971|8.961117|9.600762|4.711430|0.111177|4.125145|5.233746|10.668091|4.296807|4.517004|3.496564|2.877702|2.818772|3.281050|16.415151|2.301572|2.258826|2.148135|2.080942|2.111325|2.218192|4.317191|3.299818|2.935971|3.133721|3.949539|4.987848|13.016682|0.084157|0.079055|0.088064|0.115094|0.110102|0.128264|0.108049|0.123466|0.142736|0.500000| |3.726002|4.601835|9.384317|0.210163|5.802437|7.043704|8.949766|17.546458|8.838741|7.709344|4.161275|0.104638|3.406973|3.832382|6.916528|3.176932|3.213677|2.652922|2.287982|2.274403|2.600918|13.574172|1.906127|1.888998|1.821972|1.773134|1.785223|1.849525|4.053660|3.155307|2.890132|3.177467|4.094582|4.957925|13.595689|0.096337|0.087841|0.106860|0.125293|0.113033|0.133938|0.130540|0.142797|0.211818|0.303063|0.500000| |4.771782|7.198194|12.381182|0.226177|5.606923|4.914888|5.498534|8.820287|17.627257|6.541630|3.517679|0.092341|3.136468|3.625935|6.391438|3.141343|3.260850|2.733383|2.342074|2.296242|2.585870|13.990797|1.959537|1.882717|1.814031|1.811191|1.876779|1.954942|3.096159|2.525967|2.267427|2.357909|2.794546|3.323874|7.560075|0.112934|0.115535|0.128216|0.234018|0.172264|0.143329|0.126718|0.107879|0.129343|0.213040|0.212847|0.500000| |4.586590|7.095650|12.376190|0.181901|6.959924|5.760728|6.834673|8.818951|17.650773|9.716499|4.695120|0.122824|4.181945|4.916338|9.209691|3.966216|3.890803|3.115944|2.685686|2.709789|3.177970|15.526812|2.102175|1.991657|1.873873|1.848980|1.933757|2.066015|3.736407|2.960300|2.544789|2.560981|3.006210|3.768878|8.336740|0.117016|0.110800|0.113931|0.186915|0.211010|0.208829|0.142784|0.128404|0.133282|0.213301|0.173051|0.300514|0.500000| |2.496122|2.895840|4.405682|0.078945|3.745724|3.902892|4.460651|3.631983|3.514816|9.032524|8.727063|0.225443|17.537510|8.896665|8.866074|6.264869|4.390091|3.530861|3.475908|4.215497|5.979845|18.997862|2.308962|2.179041|1.936845|1.825178|1.897500|2.125060|5.550391|4.859299|3.618789|3.145579|3.300256|4.171415|6.955150|0.071969|0.063774|0.063665|0.073637|0.089067|0.123303|0.090280|0.114474|0.089502|0.100637|0.085085|0.083346|0.112974|0.500000| |2.180691|2.482423|3.865663|0.071839|3.242453|3.656534|4.344729|3.462871|3.113412|8.020083|8.674980|0.189048|17.633492|8.755861|8.263932|6.548764|4.516750|3.651054|3.631747|4.473495|6.448248|19.681914|2.404709|2.336443|2.062088|1.898310|1.932546|2.154168|7.195134|6.835122|4.806288|3.970285|4.022095|5.020331|7.601547|0.062432|0.055589|0.057117|0.064165|0.073376|0.099372|0.079243|0.108745|0.086954|0.098445|0.083426|0.075127|0.094677|0.301479|0.500000| |2.263611|2.744374|4.231571|0.079352|2.981806|3.160881|4.171805|4.481034|4.032418|6.526930|3.988868|0.092846|4.530740|7.055663|10.017148|8.916729|17.746424|8.969800|5.649067|4.967975|5.662816|27.455434|3.793937|3.567732|3.173951|2.996825|3.121074|3.498333|3.556452|2.989324|2.646217|2.662799|3.027215|3.571868|7.068663|0.060532|0.058667|0.060092|0.077002|0.079170|0.086831|0.070864|0.080876|0.079698|0.158964|0.104439|0.106252|0.123873|0.111862|0.113334|0.500000| |1.797733|2.096358|3.073543|0.058834|2.174257|2.253486|2.724190|2.869172|2.720864|4.109882|2.757303|0.067671|3.179691|4.124723|5.286113|5.635943|8.971100|17.763288|8.887093|5.646311|4.963680|45.356156|7.200282|6.013576|4.896878|4.580580|5.029681|6.282888|2.558165|2.310952|2.119617|2.113881|2.290249|2.535885|4.759916|0.048232|0.047730|0.047962|0.059470|0.060525|0.063141|0.053796|0.059287|0.058334|0.093406|0.071558|0.074609|0.081739|0.083133|0.085329|0.217280|0.500000| |1.614077|1.822702|2.639597|0.049949|2.000380|2.072818|2.381747|2.262463|2.175163|3.822302|2.922291|0.073845|3.786566|4.125284|4.514592|5.635487|4.966380|5.645196|8.904042|17.725349|8.946434|48.316697|4.292775|3.770228|2.969919|2.667173|2.831752|3.501286|2.670710|2.602559|2.326651|2.155737|2.187272|2.413626|4.154597|0.044836|0.042924|0.042461|0.049625|0.053975|0.059994|0.050501|0.057628|0.052533|0.067969|0.056460|0.056911|0.066434|0.105600|0.112045|0.107790|0.123982|0.500000| |1.925999|2.202183|3.268859|0.060747|2.572792|2.708590|3.172531|2.840327|2.693068|5.516314|4.527866|0.110795|7.103485|7.024935|6.544245|8.874177|5.647041|4.960963|5.656142|8.997114|17.725620|28.101056|3.095916|2.871380|2.418473|2.213230|2.308905|2.694923|3.863365|3.702482|3.074718|2.738851|2.792084|3.241963|5.425266|0.054188|0.050367|0.050190|0.058536|0.065981|0.079097|0.063754|0.076677|0.066442|0.083997|0.068917|0.067770|0.083887|0.199540|0.220248|0.124040|0.107720|0.218127|0.500000| |1.377478|1.541858|2.251493|0.044071|1.639481|1.731513|2.005111|2.018877|1.881549|2.933140|2.114835|0.052999|2.397434|2.750181|3.442743|3.398313|3.912350|5.059644|5.498479|4.311582|3.531312|46.873287|8.910726|17.734972|8.913707|5.643266|4.950409|5.641367|2.088230|2.009217|1.928939|1.918789|1.982122|2.068540|3.679721|0.037509|0.036704|0.037220|0.043172|0.043986|0.046966|0.041721|0.046909|0.045782|0.062576|0.052547|0.051269|0.054669|0.062687|0.068978|0.097611|0.149275|0.112768|0.084852|0.500000| |1.288869|1.432426|2.081635|0.041320|1.489836|1.568099|1.795241|1.855961|1.733599|2.538119|1.794280|0.045423|1.950182|2.221465|2.915193|2.582932|3.005057|3.585225|3.472523|2.869025|2.544106|27.681500|5.642791|8.932582|17.722290|8.904608|5.643525|4.950394|1.791664|1.711753|1.671720|1.703748|1.778638|1.825547|3.312035|0.034811|0.034481|0.035184|0.040596|0.040323|0.042046|0.038189|0.042064|0.042185|0.057466|0.049376|0.048206|0.049407|0.051088|0.055078|0.080984|0.113837|0.075023|0.062849|0.215180|0.500000| |1.281561|1.425111|2.035685|0.040440|1.430476|1.475868|1.671078|1.769614|1.696421|2.348963|1.628783|0.041719|1.750550|1.999904|2.681276|2.289176|2.691901|3.179424|2.993953|2.470826|2.220339|24.050728|4.948700|5.646195|8.912327|17.720104|8.919514|5.645273|1.596213|1.507234|1.458726|1.487376|1.569369|1.628949|3.014627|0.034311|0.034614|0.034978|0.040938|0.040086|0.040353|0.036787|0.039223|0.039800|0.054600|0.047206|0.048090|0.048374|0.046599|0.048390|0.074487|0.104907|0.064507|0.055085|0.124124|0.214799|0.500000| |1.360441|1.524558|2.141214|0.042039|1.494192|1.511134|1.705048|1.816574|1.791458|2.439450|1.676406|0.043226|1.824562|2.100421|2.805537|2.438282|2.891036|3.510303|3.329990|2.689826|2.379471|27.725855|5.642375|4.949336|5.642142|8.910995|17.722113|8.923054|1.599605|1.498943|1.424864|1.434122|1.518013|1.607685|2.995038|0.036310|0.037043|0.036752|0.044029|0.043402|0.042654|0.038340|0.040049|0.040316|0.055881|0.047735|0.051019|0.052021|0.049465|0.049720|0.079009|0.117762|0.070070|0.058592|0.107488|0.124057|0.214857|0.500000| |1.467832|1.661047|2.331088|0.045014|1.647732|1.658188|1.884895|1.972064|1.959730|2.788696|1.931817|0.049668|2.178348|2.535060|3.272835|3.094798|3.681321|4.873540|4.993507|3.772851|3.132514|47.139470|8.919946|5.641041|4.951349|5.644098|8.903336|17.734490|1.802690|1.688846|1.576125|1.557309|1.640906|1.768897|3.263947|0.039454|0.039892|0.039142|0.047445|0.048146|0.047891|0.041976|0.044225|0.043484|0.060667|0.050667|0.054793|0.058386|0.059853|0.059319|0.094491|0.159210|0.097877|0.075281|0.124163|0.107504|0.124105|0.214960|0.500000| |2.103001|2.288492|3.593751|0.068913|3.158632|3.757043|3.976570|3.049067|2.705434|6.224611|6.964359|0.187391|6.318605|4.451666|5.449781|3.602226|2.940603|2.523825|2.495042|2.863221|3.519121|14.671982|1.867412|1.858198|1.691577|1.567108|1.571453|1.703079|8.911136|17.694524|8.961021|5.657816|4.960833|5.672335|7.477251|0.061602|0.053103|0.056037|0.058267|0.065883|0.092462|0.080871|0.122717|0.092298|0.082204|0.077694|0.065572|0.077945|0.149358|0.212083|0.078684|0.062481|0.075492|0.110690|0.054814|0.046111|0.040719|0.040898|0.046663|0.500000| |1.797393|1.913323|2.992722|0.059523|2.527821|3.043050|3.174208|2.577074|2.242763|4.426450|4.078154|0.107633|3.705668|3.134493|4.053879|2.742012|2.405310|2.138727|2.105941|2.321612|2.673260|12.852031|1.685858|1.722712|1.596578|1.469315|1.445399|1.537473|5.623347|8.937307|17.734985|8.885396|5.645418|4.966110|6.513772|0.052104|0.045629|0.049109|0.049588|0.053626|0.070392|0.066466|0.095817|0.080697|0.070134|0.069058|0.055977|0.062367|0.090128|0.117349|0.065600|0.054458|0.061919|0.079762|0.051228|0.044366|0.038600|0.037617|0.041577|0.216177|0.500000| 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