Version2.1 2020-12-27T05:03:55Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 27-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H]1CCCC[NH+]1CCCNC(=O)CN(c2cccc(c2C)C)S(=O)(=O)c3ccccc3 C22362169 RHF 6-31G(d) (6D,7F) CC[C@@H]1CCCC[NH+]1CCCNC(=O)CN(c2cccc(c2C)C)S(=O)(=O)c3ccccc3 C01[X(C26H38N3O3S1)] 207 C1 575 CC[C@@H]1CCCC[NH+]1CCCNC(=O)CN(S(=O)(=O)c1ccccc1)c1cccc(c1C)C CC[C@@H]1CCCC[NH+]1CCCNC(=O)CN(S(=O)(=O)c1ccccc1)c1cccc(c1C)C CC[C@@H]1CCCC[NH+]1CCCNC(=O)CN(c2cccc(C)c2C)[S](=O)(=O)c3ccccc3 InChIKey=QWBSNDGFMJKELC-HSZRJFAPSA-O InChI=1S/C26H37N3O3S/c1-4-23-13-8-9-18-28(23)19-11-17-27-26(30)20-29(25-16-10-12-21(2)22(25)3)33(31,32)24-14-6-5-7-15-24/h5-7,10,12,14-16,23H,4,8-9,11,13,17-20H2,1-3H3,(H,27,30)/p+1/t23-/m1/s1 InChI=1/C26H37N3O3S/c1-4-23-13-8-9-18-28(23)19-11-17-27-26(30)20-29(25-16-10-12-21(2)22(25)3)33(31,32)24-14-6-5-7-15-24/h5-7,10,12,14-16,23H,4,8-9,11,13,17-20H2,1-3H3,(H,27,30)/p+1/t23-/m1/s1/fC26H38N3O3S/h27-28H/q+1 CC[C@@H]1CCCC[NH+]1CCCNC(=O)CN(c2cccc(c2C)C)S(=O)(=O)c3ccccc3 C01[X(C26H38N3O3S1)] 207 C01 575 CC[C@@H]1CCCC[NH+]1CCCNC(=O)CN(S(=O)(=O)c1ccccc1)c1cccc(c1C)C CC[C@@H]1CCCC[NH]1CCCNC(=O)CN([S@]([O])(=O)[C]1[CH][CH][CH][CH][CH]1)[C]1[CH][CH][CH][C]([C]1C)C CC[C@@H]1CCCC[NH]1CCCNC(=O)CN([C]2[CH][CH][CH][C](C)[C]2C)[S]([O])(=O)[C]3[CH][CH][CH][CH][CH]3 InChIKey=SBYCOXFWEIGDNV-HSZRJFAPSA-N InChI=1S/C26H38N3O3S/c1-4-23-13-8-9-18-28(23)19-11-17-27-26(30)20-29(25-16-10-12-21(2)22(25)3)33(31,32)24-14-6-5-7-15-24/h5-7,10,12,14-16,23,28H,4,8-9,11,13,17-20H2,1-3H3,(H,27,30)/t23-/m1/s1 InChI=1/C26H38N3O3S/c1-4-23-13-8-9-18-28(23)19-11-17-27-26(30)20-29(25-16-10-12-21(2)22(25)3)33(31,32)24-14-6-5-7-15-24/h5-7,10,12,14-16,23,28H,4,8-9,11,13,17-20H2,1-3H3,(H,27,30)/t23-/m1/s1/f/h27H 3891.3308625966 -1791.9108395 1-A 17964.6672 127 448 575 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9.6478 6.6486 3.0160 7.3608 47.3289 18.9393 47.4207 19.5020 5.9111 7.9756 140.8306 13.4127 141.1692 8.9385 16.8925 2.5663 1.9167 69.6217 32.1792 4.1666 119.0433 8.4300 1.0828 4.1750 59.5379 2.9228 207.0034 29.0570 34.5135 58.6057 62.4122 1.4279 10.9592 1.5636 10.0647 1.3884 15.8021 4.1728 0.2783 1.2408 3.5716 2.1208 7.1817 10.4098 6.5152 27.4555 43.5259 6.8731 26.6525 4.2047 6.1585 9.4272 5.2900 3.1383 3.2848 23.1698 2.7501 18.0824 17.4458 7.4567 6.8363 2.5029 44.3515 2.0299 9.3150 14.2355 7.8017 319.9974 5.4609 1.6911 7.2365 1.7373 205.4504 6.1574 27.2408 19.9906 23.0614 27.8376 30.0870 11.0909 37.0221 11.6477 35.3140 18.7348 10.5487 4.8341 12.6779 19.9678 19.0505 14.6665 5.6794 23.3423 23.1036 34.5698 4.3357 17.9550 6.8518 5.2654 7.5195 13.9701 28.3810 7.7580 3.6334 15.5345 21.3250 11.7844 4.5575 12.8078 2.1473 33.6192 38.2099 0.2934 0.3801 2.5109 0.5959 1.8930 1.9153 6.6043 2.9284 1.9814 0.5617 0.9810 0.7052 0.7996 0.2889 1.4376 1.5372 0.2835 0.3130 1.4510 0.9290 0.9207 0.2111 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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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8397.6397 25652.2213 28782.7314 0.99998 -0.00493 -0.00248 0.00498 0.99970 0.02381 0.00236 -0.02382 0.99971 1 0.01031 0.00338 0.00301 0.21491 0.07035 0.06270 16.64 21.15 33.66 45.06 48.86 62.86 73.87 96.13 109.34 114.49 135.38 145.82 162.83 186.23 199.49 216.68 242.90 247.88 268.97 281.15 296.33 297.95 306.55 343.61 374.75 397.20 413.51 419.30 445.33 451.02 489.24 494.84 501.13 513.65 517.82 523.30 569.07 590.63 643.29 652.44 667.00 674.04 701.25 704.96 744.61 778.56 783.76 787.82 814.92 824.41 843.49 908.22 924.72 942.17 950.77 967.95 993.39 1048.40 1099.03 1131.88 1150.51 1164.60 1166.26 1187.77 1227.19 1237.22 1240.97 1277.33 1282.59 1308.60 1329.78 1343.90 1364.38 1398.62 1431.59 1441.28 1463.02 1480.69 1492.59 1503.08 1532.69 1558.26 1559.91 1566.84 1570.32 1594.42 1600.56 1606.51 1615.96 1622.69 1625.68 1627.26 1645.94 1649.68 1657.99 1688.60 1691.98 1698.00 1701.35 1705.35 1714.80 1718.75 1740.78 1768.35 1769.65 1789.10 1806.74 1811.55 1822.78 1860.45 1868.63 1871.33 1880.13 1904.60 1934.19 1940.66 1946.55 1990.13 1999.32 2004.32 2012.95 2015.76 2058.56 2062.43 2087.21 2093.19 2096.52 2124.43 2127.12 2138.40 2144.02 2171.97 2180.40 2207.36 2218.68 2229.82 2238.87 2251.71 2264.40 2265.10 2270.86 2275.73 2280.12 2309.11 2318.21 2318.54 2334.11 2343.89 2344.61 2347.20 2349.98 2355.77 2358.68 2362.03 2363.84 2366.01 2368.98 2373.05 2374.19 2383.48 2386.15 2388.03 2407.22 2466.04 2560.41 2566.27 2581.33 2591.50 2811.03 4591.81 4600.68 4612.12 4615.12 4633.96 4637.62 4638.12 4661.45 4671.57 4673.77 4690.58 4700.60 4709.07 4711.72 4712.31 4719.72 4722.53 4731.60 4736.40 4739.23 4750.48 4754.73 4761.48 4762.13 4787.38 4808.68 4812.35 4828.24 4842.06 4847.32 4867.47 4869.68 4885.99 4901.96 4902.99 4930.60 5302.35 5576.40 0.664467 0.695623 0.696567 0.598872 -1791.246373 -1791.215216 -1791.214272 -1791.311968 3.276740D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE CC[C@@H]1CCCC[NH+]1CCCNC(=O)CN(c2cccc(c2C)C)S(=O)(=O)c3ccccc3 C22362169 RHF 6-31G(d) (6D,10F) C1 472.263389 |X|Y|Z| 113.773120 57.987506 40.714305 64.521884 26 6 7 16 22 3 1 |36.858105| |12.436013|36.858105| |7.440600|12.423498|36.858105| |6.641273|8.829698|17.611432|0.500000| |6.264373|7.438297|12.431989|0.245707|36.858105| |4.249009|4.847668|7.445039|0.189420|12.463476|36.858105| |3.561750|4.337569|6.398730|0.160348|7.583954|12.490246|36.858105| |3.754855|4.929478|7.576126|0.197207|6.562202|7.612599|12.531034|36.858105| |4.881532|7.564035|12.428249|0.252613|7.690354|6.506617|7.639102|12.642246|53.358707| |4.638747|7.016185|9.306725|0.182561|7.358628|6.068016|7.314162|9.368702|25.700743|0.500000| |4.279328|6.405129|7.367980|0.185776|4.914391|4.339882|4.973861|7.643801|17.158413|0.261486|36.858105| |3.971361|5.339086|6.069775|0.186118|4.182877|3.857009|4.195671|6.154843|10.209397|0.157445|12.515482|36.858105| |3.318924|4.168534|4.226556|0.124452|3.183134|2.948153|3.175020|4.217461|6.663622|0.116392|7.534674|12.404270|36.858105| |2.986162|3.497841|3.556598|0.109286|2.792342|2.636510|2.761571|3.500841|5.204257|0.091814|5.016752|7.771547|13.195922|53.358707| |3.189169|3.567473|3.498378|0.109753|2.759659|2.556198|2.575015|3.149217|4.758223|0.084456|4.285564|6.144457|7.855686|19.125899|36.858105| |3.731451|4.120238|3.789165|0.117363|2.934707|2.622295|2.586059|3.120059|4.936559|0.088368|4.397946|5.874292|6.939135|11.565806|15.866183|73.516695| |2.690016|2.877375|2.881504|0.090728|2.387676|2.270116|2.266735|2.680573|3.868509|0.069746|3.278649|4.367328|5.048532|10.701957|12.496988|14.109135|36.858105| |2.782433|2.850645|2.852351|0.091347|2.407833|2.284059|2.214909|2.551120|3.666079|0.066218|2.959007|3.786753|3.972784|7.184420|7.652840|11.728076|13.096581|53.358707| |2.436468|2.431920|2.394205|0.074734|2.080936|1.976512|1.907922|2.143732|3.070436|0.056637|2.440690|2.963401|3.131394|5.341193|5.176256|8.642011|7.615275|17.953771|36.858105| |2.503885|2.441129|2.329674|0.071560|2.032580|1.895959|1.814014|2.018111|2.946079|0.054964|2.332381|2.750342|2.910268|4.741983|4.577321|8.434179|5.687321|10.761963|13.704491|36.858105| |2.178118|2.104843|2.007806|0.060718|1.788990|1.678838|1.607635|1.762373|2.553159|0.048249|2.001029|2.297185|2.425470|3.840980|3.483994|6.377252|4.164019|7.035277|7.949989|13.835123|36.858105| |1.921548|1.874246|1.820308|0.054997|1.640800|1.563950|1.506891|1.643791|2.342201|0.044349|1.827529|2.093437|2.205712|3.502148|3.065546|5.392291|3.765377|6.186388|6.929954|7.992979|13.748844|36.858105| |1.886417|1.866155|1.846516|0.056257|1.662472|1.604951|1.556502|1.706213|2.398529|0.045134|1.874708|2.178062|2.292955|3.715265|3.217748|5.429732|4.176505|6.920515|7.934987|6.848101|7.880636|13.750263|36.858105| |2.088239|2.091564|2.091221|0.064679|1.855159|1.794357|1.744814|1.939418|2.721009|0.050579|2.143917|2.560249|2.698069|4.530812|4.036357|6.558045|5.760713|10.438947|13.664141|7.844778|6.790203|7.894265|13.558927|36.858105| |1.962922|1.999178|2.047963|0.063540|1.827392|1.803034|1.774298|1.977098|2.711532|0.050236|2.132860|2.565331|2.685720|4.542709|3.817690|5.928836|5.455312|8.697958|7.464816|4.974653|4.413241|5.027017|7.575254|12.601296|36.858105| |1.653611|1.642031|1.640186|0.049608|1.496983|1.462326|1.426012|1.549641|2.150949|0.040724|1.670072|1.915059|2.006400|3.196947|2.655941|4.447346|3.328961|5.165263|5.013846|4.436507|5.022525|7.605761|12.595258|7.510389|6.539475|36.858105| |3.062884|3.102231|3.245727|0.108818|2.759695|2.656148|2.515690|2.876442|4.042427|0.071703|3.117529|3.995179|3.780284|6.309614|5.911841|9.616003|7.150755|15.764803|7.109114|5.378279|3.998675|3.639760|4.034704|5.492073|5.249744|3.250187|388.023441| |2.574506|2.587214|2.754573|0.090353|2.444954|2.429453|2.308180|2.571008|3.487508|0.062798|2.633519|3.244513|3.078084|5.007418|4.291244|6.916004|5.329484|10.182808|6.102536|4.544262|3.679825|3.593740|4.203832|5.690955|6.123235|3.541333|94.794640|73.516695| |3.430470|3.675330|4.028296|0.141711|3.264967|3.155454|3.037175|3.638883|5.096483|0.087125|3.986747|5.554847|4.869330|8.056625|7.059166|10.935507|6.975593|10.618237|5.012184|4.133722|3.212435|2.932410|3.187781|4.099715|4.135167|2.682635|93.885338|13.749983|73.516695| |3.532674|3.316699|3.330980|0.110643|2.890646|2.687308|2.441104|2.697103|3.904391|0.070366|2.903042|3.480590|3.223472|4.953222|4.577768|8.614590|4.850339|9.557201|5.864605|5.498920|4.183092|3.602957|3.679826|4.486181|3.924770|2.956276|76.596320|13.122670|12.868903|36.858105| |3.088837|2.834334|2.879396|0.093353|2.625987|2.491500|2.237096|2.394113|3.388220|0.062109|2.459096|2.839907|2.629602|3.954939|3.459030|6.378157|3.728881|6.881829|4.811269|4.609556|3.865605|3.476892|3.541695|4.085125|3.637736|2.938271|49.832971|11.850480|9.110224|13.765611|36.858105| |3.148876|2.762367|2.738036|0.086359|2.563686|2.393535|2.115198|2.215238|3.170656|0.059091|2.267426|2.527657|2.341325|3.418583|2.935647|5.572275|3.050016|5.269584|3.827773|3.958844|3.517216|3.128822|3.049592|3.319958|2.939816|2.586522|33.770844|7.979867|6.941132|7.972978|13.725697|36.858105| |3.706741|3.093709|2.936407|0.091058|2.728179|2.456920|2.154884|2.258011|3.325511|0.062422|2.376848|2.603654|2.413467|3.453119|2.982697|5.902196|2.971246|4.964906|3.561837|3.881801|3.434714|2.942464|2.785277|3.004794|2.630881|2.350743|29.969648|6.616666|6.540671|6.922394|7.939865|13.778668|36.858105| |4.545301|3.749966|3.417055|0.106780|3.025511|2.642423|2.334873|2.506739|3.808412|0.070801|2.770507|3.071476|2.849435|4.062352|3.617055|7.539705|3.456420|5.739344|3.933643|4.369565|3.651338|3.018415|2.852463|3.156249|2.735851|2.361235|33.697619|6.818465|7.591655|7.980341|6.851732|7.916087|13.700033|36.858105| |4.387520|3.949170|3.713745|0.121245|3.135772|2.779884|2.504970|2.778744|4.211624|0.076311|3.149799|3.694551|3.426516|5.068364|4.770085|10.033058|4.553063|8.020526|5.011835|5.284386|4.037626|3.320314|3.235380|3.781210|3.263515|2.614556|49.426209|8.767419|10.745268|13.698891|7.871182|6.841704|7.929189|13.790061|36.858105| |17.587381|8.873114|5.476923|0.139802|4.680939|3.438860|3.010017|3.199528|5.561708|0.110244|3.840781|3.606886|3.184304|3.933191|3.132146|6.678793|2.642140|3.710725|2.430748|2.557355|2.239451|1.953330|1.891243|2.072623|1.921463|1.650985|20.590975|4.323062|5.605730|3.367616|2.945041|3.044357|3.675536|4.601356|4.295976|0.500000| |17.561768|8.756916|6.869526|0.198782|5.802282|4.208261|3.457092|3.661817|6.145078|0.114057|4.012582|3.992045|3.317112|4.211241|3.397981|7.069549|2.913292|4.232916|2.700539|2.768043|2.377750|2.086699|2.052131|2.289523|2.139747|1.783998|25.220444|5.221076|6.992838|4.312152|3.726001|3.815899|4.585887|5.813253|5.536348|0.302338|0.500000| |17.597876|8.707708|6.530407|0.156501|6.730505|4.445655|3.589216|3.569726|6.055271|0.122433|3.739195|3.396565|2.859727|3.521182|2.717374|5.484111|2.352207|3.317595|2.169735|2.222580|1.968135|1.757691|1.727654|1.893618|1.794296|1.532442|19.168599|4.150417|5.295114|3.089250|2.807262|2.914087|3.386397|3.908457|3.673054|0.303080|0.300757|0.500000| |8.957019|17.600504|8.846912|0.217055|5.466047|4.047202|3.816479|4.582480|9.344352|0.168929|7.177582|6.393296|5.117976|5.693931|4.323889|9.313680|3.312416|4.375186|2.695820|2.713543|2.301511|2.027138|2.015385|2.278624|2.159784|1.754212|24.159565|4.894352|7.246084|3.565396|2.945262|2.817232|3.155292|3.953466|4.348363|0.222382|0.208949|0.173885|0.500000| |8.848239|17.501189|8.834351|0.173752|6.666116|4.483315|4.192154|4.617433|9.593635|0.212663|6.038760|4.630413|3.802220|4.273111|3.126117|6.310121|2.552898|3.395181|2.168332|2.186358|1.916026|1.717856|1.705961|1.890932|1.814400|1.515183|18.868687|4.023730|5.481026|2.796453|2.443500|2.403471|2.675896|3.158031|3.259493|0.210684|0.172841|0.213665|0.302673|0.500000| |5.789032|6.912393|8.852342|0.173745|17.490029|8.815368|6.755565|5.693178|9.385824|0.215749|4.604731|3.733820|2.955529|3.487573|2.513049|4.770019|2.174261|2.954564|1.902262|1.875020|1.667033|1.530574|1.542412|1.704950|1.675238|1.395425|17.220941|3.841518|4.996093|2.532488|2.317415|2.288369|2.454678|2.712231|2.766401|0.126459|0.138261|0.183235|0.140597|0.201872|0.500000| |7.133950|6.853495|8.951638|0.214351|17.619807|8.873986|5.529547|4.922899|7.604492|0.147499|4.063429|3.676217|2.898035|3.565253|2.661066|5.091287|2.340048|3.287646|2.109476|2.079949|1.836207|1.677580|1.689291|1.875490|1.830422|1.517206|19.908847|4.422006|5.725170|3.055678|2.821825|2.819497|3.042894|3.336896|3.348161|0.142147|0.192775|0.233897|0.141657|0.164190|0.304226|0.500000| |3.754929|4.048198|5.466685|0.139612|8.858518|17.585811|8.838667|5.530193|6.659992|0.134901|3.535690|3.167675|2.529478|3.120936|2.237578|4.084285|2.019597|2.782536|1.799989|1.737303|1.556564|1.456949|1.490450|1.649131|1.656087|1.367848|16.747145|3.897294|4.825776|2.412089|2.286315|2.233157|2.290113|2.414909|2.485620|0.086478|0.102623|0.113596|0.094733|0.107808|0.215939|0.212314|0.500000| |4.066213|4.459239|6.680714|0.199153|8.849884|17.532356|8.864253|6.818094|7.695835|0.137641|4.073720|3.896504|2.967282|3.714034|2.674503|4.824997|2.411998|3.352743|2.115832|2.007418|1.768597|1.652710|1.707798|1.923145|1.944256|1.554310|21.025439|4.851333|6.293330|2.978215|2.778771|2.632751|2.649589|2.819018|3.004032|0.091845|0.118337|0.114971|0.107468|0.109803|0.173441|0.216957|0.303638|0.500000| |3.389491|4.134480|5.591888|0.132437|6.750967|8.812670|17.511240|8.869299|9.348207|0.214592|4.664080|3.747875|2.951454|3.455571|2.363389|4.255317|2.076621|2.746233|1.759322|1.688993|1.508453|1.413430|1.451399|1.612852|1.631752|1.333827|15.940457|3.660153|4.715555|2.195537|2.020636|1.933545|1.988809|2.154377|2.279650|0.080983|0.088625|0.096655|0.100313|0.117613|0.196269|0.138868|0.215017|0.173478|0.500000| |3.009530|3.518040|4.825518|0.129517|5.504197|8.789045|17.576683|8.973963|7.588292|0.147141|4.139928|3.707328|2.898981|3.518888|2.401121|4.214706|2.160188|2.876331|1.830910|1.726530|1.538796|1.456209|1.514416|1.695632|1.745011|1.399316|17.121953|4.016736|5.116074|2.302134|2.138376|2.011100|2.016847|2.152287|2.312520|0.072148|0.082778|0.084210|0.088757|0.094191|0.138389|0.123621|0.208745|0.215494|0.303773|0.500000| |3.204094|4.131447|5.558225|0.145371|4.902425|5.511787|8.784722|17.622299|12.369974|0.221977|7.382756|5.828375|4.259258|4.727847|3.022257|5.229260|2.581275|3.273202|2.035095|1.910662|1.678827|1.575599|1.640308|1.858850|1.909584|1.499750|18.777530|4.241193|5.855813|2.432082|2.166872|2.002497|2.033567|2.248260|2.491407|0.078410|0.086146|0.084705|0.110827|0.111863|0.127244|0.108067|0.123352|0.139619|0.214088|0.212904|0.500000| |3.674209|4.633396|7.014472|0.217410|5.841045|6.883825|8.822989|17.644784|12.386487|0.182377|6.867115|6.795894|4.469138|5.255868|3.479763|5.990799|2.989597|3.892079|2.357234|2.182006|1.886982|1.764410|1.849209|2.129619|2.192558|1.674041|23.647175|5.274986|7.793459|3.028076|2.663776|2.411953|2.418817|2.681915|3.045066|0.086993|0.103917|0.095251|0.123924|0.114618|0.133366|0.130946|0.140194|0.201735|0.173445|0.214379|0.301312|0.500000| |4.663994|7.297305|6.784538|0.162841|4.609189|3.847035|4.178196|5.615400|12.367341|0.232063|17.663707|8.813288|6.974008|6.396509|4.191530|8.085479|3.166052|3.905318|2.404546|2.349083|2.022102|1.827605|1.850088|2.094970|2.048128|1.640582|20.932495|4.392367|6.441395|2.826670|2.391974|2.239828|2.394240|2.830162|3.164074|0.120533|0.116313|0.110825|0.247266|0.204429|0.125255|0.109141|0.089809|0.099271|0.113409|0.097264|0.150048|0.140929|0.500000| |3.495648|4.837539|5.502554|0.139929|4.185370|3.929344|4.806837|7.263862|12.459130|0.230329|17.599679|8.792117|6.695783|6.195709|3.753934|6.619535|2.974630|3.611259|2.224809|2.116851|1.840570|1.700656|1.752221|1.990289|2.004104|1.579406|19.603756|4.253960|6.118130|2.534301|2.188606|2.022796|2.099041|2.398572|2.693703|0.088974|0.091255|0.087947|0.144008|0.134653|0.112871|0.096666|0.091406|0.101508|0.130079|0.114891|0.235044|0.172685|0.303620|0.500000| |3.451641|4.394574|5.351857|0.169875|3.981280|3.943779|4.441661|6.737919|9.128683|0.142016|8.826056|17.574376|8.877291|9.560887|5.435454|8.622645|4.238255|5.029276|2.889142|2.616289|2.202181|2.042561|2.159809|2.554656|2.635080|1.921572|28.686511|6.029809|10.255254|3.367851|2.801764|2.460781|2.473418|2.838479|3.405727|0.086382|0.098220|0.084668|0.135523|0.107737|0.097488|0.097035|0.089701|0.113800|0.106739|0.113181|0.182526|0.231587|0.173133|0.213443|0.500000| |4.671140|6.153833|6.847813|0.235601|4.497415|3.995985|4.044785|5.543048|9.397535|0.144889|8.828105|17.641388|8.952365|9.924856|6.907329|12.635970|4.802239|5.942476|3.319347|3.093230|2.530246|2.271213|2.350197|2.788524|2.740976|2.034297|34.100829|6.558360|12.511964|4.260440|3.339373|2.939432|3.054297|3.711247|4.644565|0.115823|0.136143|0.106791|0.213704|0.136588|0.107782|0.113510|0.090680|0.115205|0.098947|0.098689|0.135690|0.176077|0.207240|0.172993|0.303974|0.500000| |3.512440|4.420703|4.134756|0.117602|3.112092|2.790535|2.945454|3.770593|6.274581|0.113895|6.955196|8.792914|17.630206|12.623269|7.287723|13.482271|4.653620|5.125461|3.057440|2.945465|2.464750|2.206298|2.248175|2.602148|2.520851|1.955282|24.820358|5.033908|7.573920|3.131675|2.556586|2.319191|2.441465|2.928051|3.461381|0.096481|0.095461|0.082905|0.158218|0.113923|0.081782|0.079541|0.067246|0.076897|0.077634|0.073865|0.104401|0.107120|0.211795|0.167573|0.173716|0.210817|0.500000| |2.880335|3.576216|3.691103|0.105719|2.901945|2.756127|3.061313|4.043771|6.087697|0.110220|6.737039|8.755259|17.579817|12.587028|5.790735|9.033022|4.252257|4.598557|2.758503|2.560379|2.184760|2.020121|2.109848|2.449985|2.482829|1.879796|22.883605|4.862256|7.113722|2.753478|2.313072|2.077044|2.125105|2.452780|2.873309|0.076957|0.079035|0.070751|0.116210|0.094115|0.076199|0.072805|0.066461|0.076285|0.080280|0.078875|0.119944|0.116173|0.169853|0.194675|0.213622|0.174227|0.302497|0.500000| |2.674917|3.090020|3.246617|0.100254|2.624329|2.550834|2.703315|3.407654|4.808611|0.085152|4.448924|6.601138|9.104501|26.062625|9.434134|10.930704|7.563817|6.911899|3.815265|3.273923|2.694113|2.520876|2.738252|3.370622|3.542189|2.396164|32.470716|6.756568|10.323753|3.432740|2.806001|2.402510|2.377561|2.726463|3.365519|0.071273|0.077374|0.065592|0.098865|0.077738|0.066765|0.068324|0.061921|0.074058|0.068619|0.071720|0.095404|0.106286|0.112014|0.116941|0.191452|0.167518|0.181300|0.225551|0.500000| |2.454845|2.599612|2.549932|0.078326|2.144906|2.032019|2.033738|2.371513|3.439562|0.063200|2.916169|3.700069|4.420080|8.739070|9.020236|12.100005|17.617692|12.696171|7.642673|6.069979|4.553616|4.113741|4.499211|5.981357|5.343377|3.538191|38.119283|7.742828|8.932585|4.109251|3.300857|2.787111|2.745060|3.162815|3.979565|0.068190|0.072845|0.060071|0.082859|0.065231|0.055042|0.058554|0.050779|0.059307|0.052441|0.053921|0.064101|0.071968|0.079915|0.074687|0.098497|0.109877|0.118669|0.107341|0.169974|0.500000| |2.466914|2.668105|2.752529|0.086641|2.310580|2.248514|2.279498|2.705678|3.784475|0.068137|3.193981|4.272608|4.880099|10.398176|8.834773|10.416447|17.578968|12.275682|6.108658|4.532448|3.561528|3.393246|3.908906|5.367101|5.851460|3.273775|46.029627|9.604991|11.914207|4.226015|3.409482|2.787365|2.664683|3.007183|3.833168|0.066468|0.073723|0.060816|0.083654|0.066382|0.058410|0.062351|0.055607|0.066710|0.057744|0.061176|0.073301|0.084810|0.083546|0.082321|0.121855|0.124883|0.118622|0.119704|0.246432|0.303071|0.500000| |2.842887|2.745772|2.557342|0.078406|2.200224|2.014910|1.916602|2.141416|3.190095|0.059458|2.536600|2.982884|3.150713|5.038656|5.020301|10.074649|5.626596|10.063167|8.952802|17.752573|8.909292|5.659904|4.942167|5.622283|4.072348|3.549582|37.879022|7.491549|7.651539|5.911834|4.668808|4.133179|4.308125|5.222244|6.443375|0.081828|0.087657|0.068928|0.086099|0.067741|0.056385|0.062739|0.051052|0.058923|0.049657|0.050141|0.055961|0.063957|0.071974|0.063086|0.076993|0.094905|0.090607|0.075587|0.093470|0.161843|0.120736|0.500000| |2.153773|2.056471|1.933963|0.057836|1.733404|1.614289|1.540709|1.677637|2.448377|0.046639|1.911097|2.154990|2.270028|3.506808|3.131392|5.896066|3.541326|5.709783|5.646906|8.933449|17.727552|8.901448|5.622322|4.909714|3.533732|4.101657|24.323876|5.566745|5.070682|3.733418|3.505230|3.354116|3.397054|3.601843|3.785394|0.062353|0.064856|0.054249|0.062253|0.052359|0.045187|0.049626|0.041779|0.046914|0.040409|0.040831|0.044385|0.049430|0.054197|0.048856|0.056917|0.065752|0.064993|0.057000|0.067698|0.106959|0.084823|0.213891|0.500000| |1.761860|1.711975|1.660004|0.049720|1.511596|1.443575|1.391487|1.505764|2.140725|0.040823|1.661501|1.875590|1.970779|3.073310|2.627715|4.652025|3.119587|4.923339|4.981226|5.677053|8.942483|17.713737|8.952642|5.628945|4.104320|7.103565|21.582586|5.397694|4.479369|3.056399|3.023475|2.810560|2.662692|2.685521|2.864321|0.049915|0.052768|0.045154|0.051052|0.043946|0.039402|0.042983|0.037598|0.042206|0.036435|0.037435|0.040208|0.044608|0.046281|0.043204|0.050890|0.056059|0.054968|0.050636|0.061583|0.094221|0.079618|0.124370|0.215429|0.500000| |1.798992|1.843374|1.881721|0.057648|1.685989|1.667030|1.656398|1.843172|2.523592|0.047109|1.997822|2.375497|2.531948|4.254355|3.465699|5.375860|4.788040|6.862090|5.795701|4.272387|3.983816|4.663960|6.876325|8.873689|17.557909|6.852238|29.366965|8.157924|6.195724|3.237311|3.019630|2.529056|2.306846|2.401718|2.804181|0.049152|0.053816|0.045893|0.055284|0.046967|0.043295|0.046670|0.042716|0.049519|0.042613|0.045384|0.049978|0.056264|0.053461|0.052755|0.067780|0.069191|0.066244|0.066192|0.092999|0.138207|0.145733|0.099002|0.090748|0.110086|0.500000| |2.095773|2.166496|2.248671|0.070529|1.983563|1.966714|1.948654|2.202271|3.001144|0.055026|2.379007|2.934146|3.066929|5.346461|4.457322|6.619625|6.702491|10.177403|7.091961|4.680270|3.932089|4.164345|5.563351|8.795580|17.685573|4.783825|44.534036|12.895832|8.969261|4.193830|3.736239|2.964932|2.668801|2.824031|3.457863|0.056470|0.063545|0.052932|0.065330|0.054287|0.050175|0.054769|0.049723|0.059210|0.049407|0.053272|0.059099|0.068731|0.062674|0.061964|0.084992|0.087024|0.078182|0.078312|0.119160|0.167270|0.221041|0.111836|0.089647|0.095968|0.301896|0.500000| |1.885573|1.903280|1.966384|0.061056|1.780837|1.773128|1.733429|1.906308|2.587173|0.048049|1.999684|2.371135|2.422314|3.972713|3.273834|5.208370|4.352027|7.071194|5.896341|4.288377|3.952329|4.574650|6.660513|8.854464|17.572177|6.491196|34.637370|11.235510|6.804441|3.799013|3.718283|2.998921|2.614879|2.644442|3.091523|0.051000|0.057319|0.048308|0.056381|0.048024|0.045266|0.049827|0.045514|0.053450|0.044192|0.047662|0.050951|0.058807|0.053154|0.052287|0.068200|0.070453|0.063156|0.062540|0.085885|0.115599|0.128997|0.099634|0.090041|0.107697|0.302174|0.304907|0.500000| |1.588712|1.594959|1.597333|0.048134|1.454472|1.425711|1.403288|1.531612|2.119166|0.040170|1.657986|1.903729|2.019075|3.236092|2.644788|4.359558|3.331589|4.915135|4.552947|3.962435|4.309251|5.935852|8.806706|6.611398|6.535772|17.543459|21.692056|5.847527|4.604794|2.700562|2.632537|2.320156|2.135961|2.173249|2.419275|0.044031|0.047262|0.040906|0.047444|0.041070|0.037771|0.040668|0.037012|0.041955|0.036531|0.038340|0.041473|0.045898|0.045158|0.043860|0.053270|0.055540|0.054444|0.053046|0.068104|0.100134|0.093092|0.090337|0.100063|0.155349|0.222207|0.134635|0.170091|0.500000| |1.635226|1.621156|1.636191|0.049691|1.503815|1.480945|1.440281|1.557063|2.141399|0.040474|1.647310|1.887462|1.948108|3.084818|2.536814|4.234001|3.153030|4.957089|4.589764|3.959786|4.277001|5.866231|8.809804|6.707683|6.682120|17.554166|23.407480|6.695453|4.801637|2.978894|3.039967|2.651981|2.358013|2.330394|2.575309|0.045012|0.049206|0.042290|0.047762|0.041475|0.038801|0.042417|0.038555|0.043986|0.037286|0.039455|0.041763|0.046936|0.044652|0.043301|0.053099|0.055746|0.052308|0.050774|0.064741|0.089974|0.087785|0.090226|0.099117|0.152550|0.184737|0.135568|0.214158|0.302654|0.500000| |1.565607|1.544212|1.532340|0.046010|1.407582|1.370973|1.333769|1.439667|2.004793|0.038187|1.550359|1.755167|1.835676|2.877192|2.376693|4.050320|2.880617|4.415395|4.187985|3.994468|4.797726|7.366796|8.866391|5.556409|4.781581|17.595594|20.113554|5.380395|4.222607|2.673208|2.692226|2.439702|2.240095|2.230075|2.413663|0.043659|0.046734|0.040487|0.045651|0.039785|0.036630|0.039746|0.035803|0.040299|0.034822|0.036321|0.038717|0.042899|0.042552|0.040794|0.048658|0.051698|0.050134|0.047926|0.059389|0.085348|0.077853|0.090849|0.114302|0.229433|0.138030|0.104837|0.133369|0.302347|0.302190|0.500000| |2.692757|2.529559|2.623086|0.084593|2.424114|2.361201|2.144808|2.285171|3.160550|0.058058|2.294933|2.654857|2.471545|3.751659|3.207366|5.703739|3.575034|6.525156|4.665770|4.223924|3.655376|3.464823|3.675143|4.253081|3.949543|3.127123|47.759914|13.998853|8.602474|8.935410|17.769846|8.875354|5.641847|4.945170|5.625331|0.071045|0.087941|0.069011|0.072649|0.061409|0.059637|0.071523|0.060556|0.073633|0.053706|0.057792|0.057940|0.071064|0.061351|0.057529|0.074346|0.084805|0.065871|0.061260|0.075637|0.088097|0.093969|0.112946|0.090546|0.084093|0.089685|0.111723|0.117310|0.077305|0.092632|0.078701|0.500000| |2.760890|2.437185|2.436959|0.075706|2.336708|2.216632|1.961827|2.024543|2.859289|0.053794|2.032117|2.235383|2.078812|3.018692|2.537750|4.745163|2.655823|4.469092|3.322112|3.410498|3.167067|2.912342|2.845443|3.013384|2.716379|2.484115|27.913855|7.007489|5.867347|5.663827|8.923713|17.733726|8.916555|5.634315|4.937006|0.074221|0.090577|0.072679|0.068246|0.059897|0.058462|0.071382|0.058301|0.067624|0.050051|0.052302|0.051145|0.060886|0.055647|0.050968|0.061041|0.070789|0.057071|0.051945|0.059564|0.068294|0.068689|0.096302|0.084689|0.074312|0.065657|0.075104|0.078526|0.061673|0.071666|0.065853|0.214087|0.500000| |3.506122|2.872023|2.696117|0.081464|2.567949|2.307036|2.018099|2.082429|3.066665|0.058427|2.175676|2.329299|2.169266|3.059737|2.590924|5.114594|2.563396|4.144343|3.022320|3.323066|3.061524|2.657062|2.487904|2.618781|2.313787|2.141346|24.211509|5.497633|5.443508|4.977881|5.648343|8.934757|17.720719|8.908344|5.646700|0.098276|0.116813|0.091676|0.080068|0.070392|0.065210|0.080220|0.060665|0.068252|0.052292|0.052513|0.052328|0.061110|0.061332|0.053831|0.061454|0.074518|0.061381|0.053680|0.058666|0.066855|0.064536|0.101463|0.086305|0.068300|0.057270|0.064703|0.064138|0.054231|0.059597|0.057478|0.124039|0.215152|0.500000| 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