Version2.1 2021-01-07T21:24:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 10-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(ccc1NC(=O)[C@@H]2Cc3cc(ccc3N4[C@@H]2C[NH+](CC4)C5CCCC5)C(F)(F)F)F C35908071 RHF 6-31G(d) (6D,7F) c1cc(ccc1NC(=O)[C@@H]2Cc3cc(ccc3N4[C@@H]2C[NH+](CC4)C5CCCC5)C(F)(F)F)F C01[X(C25H28F4N3O1)] 177 C1 551 O=C([C@@H]1Cc2cc(ccc2N2[C@@H]1C[NH+](CC2)C1CCCC1)C(F)(F)F)Nc1ccc(cc1)F O=C([C@@H]1Cc2cc(ccc2N2[C@@H]1C[NH+](CC2)C1CCCC1)C(F)(F)F)Nc1ccc(cc1)F Fc1ccc(NC(=O)[C@@H]2Cc3cc(ccc3N4CC[NH+](C[C@H]24)C5CCCC5)C(F)(F)F)cc1 InChIKey=PCTUIEORURJKFZ-FYYLOGMGSA-O InChI=1S/C25H27F4N3O/c26-18-6-8-19(9-7-18)30-24(33)21-14-16-13-17(25(27,28)29)5-10-22(16)32-12-11-31(15-23(21)32)20-3-1-2-4-20/h5-10,13,20-21,23H,1-4,11-12,14-15H2,(H,30,33)/p+1/t21-,23-/m1/s1 InChI=1/C25H27F4N3O/c26-18-6-8-19(9-7-18)30-24(33)21-14-16-13-17(25(27,28)29)5-10-22(16)32-12-11-31(15-23(21)32)20-3-1-2-4-20/h5-10,13,20-21,23H,1-4,11-12,14-15H2,(H,30,33)/p+1/t21-,23-/m1/s1/fC25H28F4N3O/h30-31H/q+1 c1cc(ccc1NC(=O)[C@@H]2Cc3cc(ccc3N4[C@@H]2C[NH+](CC4)C5CCCC5)C(F)(F)F)F C01[X(C25H28F4N3O1)] 177 C01 551 O=C([C@@H]1Cc2cc(ccc2N2[C@@H]1C[NH+](CC2)C1CCCC1)C(F)(F)F)Nc1ccc(cc1)F O=[C]([NH][C]1[CH][CH][C]([CH][CH]1)F)[C@@H]1C[C]2[CH][C]([CH][CH][C]2[N@@]2[C@@H]1C[N@H](CC2)C1CCCC1)C(F)(F)F F[C]1[CH][CH][C]([CH][CH]1)NC(=O)[C@@H]2C[C]3[CH][C]([CH][CH][C]3N4CC[NH](C[C@H]24)C5CCCC5)C(F)(F)F InChIKey=ZFHFQEFPTIJLPU-FYYLOGMGSA-N InChI=1S/C25H28F4N3O/c26-18-6-8-19(9-7-18)30-24(33)21-14-16-13-17(25(27,28)29)5-10-22(16)32-12-11-31(15-23(21)32)20-3-1-2-4-20/h5-10,13,20-21,23,31H,1-4,11-12,14-15H2,(H,30,33)/t21-,23-/m1/s1 InChI=1/C25H28F4N3O/c26-18-6-8-19(9-7-18)30-24(33)21-14-16-13-17(25(27,28)29)5-10-22(16)32-12-11-31(15-23(21)32)20-3-1-2-4-20/h5-10,13,20-21,23,31H,1-4,11-12,14-15H2,(H,30,33)/t21-,23-/m1/s1/f/h30H 3484.4462435379 -1598.8149361 1-A 18931.3383 121 430 551 |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| -26.41384 -26.41171 -26.40615 -26.37334 -20.63370 -15.84402 -15.71515 -15.70090 -11.58133 -11.46390 -11.43877 -11.43463 -11.42477 -11.42313 -11.41455 -11.40364 -11.39297 -11.37578 -11.36958 -11.36597 -11.36287 -11.35873 -11.35756 -11.35456 -11.35275 -11.34986 -11.34776 -11.34440 -11.34374 -11.32393 -11.31808 -11.31280 -11.31055 -1.81074 -1.70942 -1.70399 -1.69230 -1.50551 -1.49187 -1.40617 -1.35573 -1.28319 -1.26706 -1.24688 -1.23260 -1.18927 -1.18186 -1.13672 -1.12731 -1.11394 -1.10929 -1.09582 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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 13654.6559 23255.0169 33384.2688 0.99957 0.02896 0.00428 -0.02900 0.99954 0.00862 -0.00403 -0.00874 0.99995 1 0.00634 0.00372 0.00259 0.13217 0.07761 0.05406 13.00 22.12 29.20 35.44 41.93 53.39 81.29 91.69 105.20 131.22 152.64 164.44 200.89 214.78 244.87 261.43 278.50 299.17 334.35 352.50 412.23 442.54 456.87 475.37 517.10 543.30 567.87 602.65 626.15 633.81 662.55 670.31 681.12 704.01 712.45 732.26 746.69 766.95 794.19 821.87 830.76 838.05 859.25 878.30 913.24 921.65 932.56 989.60 1003.73 1005.45 1033.27 1111.14 1118.13 1132.04 1168.50 1201.92 1220.90 1227.64 1285.92 1302.12 1326.16 1333.22 1351.36 1354.40 1357.28 1360.74 1371.18 1376.95 1390.50 1453.45 1472.60 1478.85 1505.04 1521.34 1521.99 1536.44 1540.34 1571.65 1581.48 1584.89 1587.74 1603.40 1618.86 1644.63 1662.23 1673.77 1680.16 1711.88 1719.61 1738.12 1763.33 1770.79 1773.88 1832.31 1839.78 1848.08 1864.58 1883.54 1893.42 1915.85 1921.95 1935.02 1940.10 1952.35 1963.79 1982.98 1995.96 2008.90 2014.87 2032.34 2048.59 2056.33 2066.57 2079.33 2090.30 2091.38 2106.26 2127.91 2135.50 2141.13 2149.22 2154.36 2163.99 2176.63 2182.67 2211.89 2233.91 2250.50 2262.37 2268.51 2283.06 2296.09 2302.75 2333.61 2350.35 2362.99 2366.96 2369.01 2373.50 2377.59 2405.17 2429.30 2443.36 2488.76 2562.46 2602.93 2626.62 2634.52 2760.34 4465.38 4528.43 4595.19 4613.30 4628.06 4651.93 4675.69 4681.55 4697.56 4707.24 4722.72 4732.57 4741.49 4743.97 4759.57 4790.33 4826.56 4828.26 4840.28 4873.75 4887.15 4896.48 4896.60 4902.77 4911.01 4947.77 5295.23 5609.76 0.545062 0.571606 0.572550 0.482557 -1598.269874 -1598.243330 -1598.242386 -1598.332379 3.018380D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE c1cc(ccc1NC(=O)[C@@H]2Cc3cc(ccc3N4[C@@H]2C[NH+](CC4)C5CCCC5)C(F)(F)F)F C35908071 RHF 6-31G(d) (6D,10F) C1 462.216851 |X|Y|Z| 78.781293 107.651186 33.702568 65.872120 27 6 7 24 3 |36.858105| |13.768323|36.858105| |8.023581|13.832689|36.858105| |6.886371|7.913310|13.822174|36.858105| |7.933441|6.848724|7.991686|13.768588|36.858105| |13.736216|7.917380|6.930203|7.944779|13.727529|36.858105| |7.910293|5.165732|4.566531|5.124585|7.739022|13.377366|53.358707| |5.287643|3.960194|3.728437|4.321882|6.233528|7.723376|19.308080|36.858105| |4.641603|3.731756|3.715786|4.513524|6.457871|6.658659|11.518450|15.804674|73.516695| |3.960034|3.111916|2.902804|3.221535|4.187269|4.961159|10.475142|12.390443|14.395030|36.858105| |3.432308|2.801763|2.693427|3.047380|3.911578|4.308546|8.238811|9.171613|13.438870|17.566286|0.500000| |3.800800|2.985466|2.707917|2.894854|3.617647|4.417015|8.922157|7.240885|9.135370|12.464040|0.247379|36.858105| |4.023635|3.121215|2.720668|2.791777|3.381133|4.300796|8.153374|5.841968|7.728044|7.594225|0.154357|12.585092|36.858105| |3.874397|3.071817|2.628793|2.621105|3.069504|3.876547|6.698871|4.405863|6.152795|5.064473|0.114846|7.576628|13.705880|36.858105| |3.654395|2.989488|2.516074|2.437028|2.759792|3.442367|5.502047|3.604386|5.279880|3.907139|0.091002|5.019717|7.882530|13.807138|36.858105| |3.600514|2.974019|2.499419|2.407331|2.704933|3.356679|5.259252|3.545152|5.314971|3.778585|0.087175|4.438949|6.853979|7.992290|13.743453|36.858105| |3.726534|3.023816|2.580409|2.538480|2.911344|3.623573|5.882660|4.172493|6.228971|4.538440|0.100953|5.015380|7.931243|6.930304|7.950316|13.823047|36.858105| |3.915721|3.081725|2.683068|2.730509|3.258019|4.097638|7.329779|5.541127|7.781234|6.707899|0.137017|7.533364|13.652174|7.923755|6.814775|7.888340|13.650701|36.858105| |3.611983|2.909287|2.621904|2.740773|3.298670|3.970125|7.023796|6.118485|9.146942|7.651154|0.156142|6.544045|7.750345|5.122908|4.516057|5.137247|7.813157|13.385880|53.358707| |3.395777|2.760501|2.571194|2.786771|3.439345|3.973654|7.308046|7.469593|11.306733|12.382852|0.249078|7.728481|6.721491|4.510153|3.749158|3.902502|5.079539|7.723116|17.807233|36.858105| |2.902058|2.414978|2.262432|2.434239|2.932332|3.313308|5.859917|5.523750|8.647114|9.026479|0.223371|7.299668|6.152618|4.314226|3.579006|3.653843|4.574436|6.572108|12.380515|17.391563|0.500000| |3.105096|2.615982|2.514999|2.776838|3.377059|3.663772|6.168348|6.365626|12.115458|7.465709|0.193129|4.942588|4.430886|3.351725|2.944499|3.116953|3.921489|5.083008|10.632574|12.461009|0.248715|36.858105| |2.614944|2.267534|2.175614|2.343566|2.728405|2.934237|4.680071|4.308898|8.018493|4.920060|0.129268|3.849348|3.710222|2.936798|2.688450|2.926702|3.686087|4.429843|8.963859|7.643104|0.196591|12.672221|53.358707| |2.392723|2.083254|1.997231|2.143187|2.481089|2.666445|4.276165|3.871706|6.993975|4.671459|0.126666|3.824413|3.632969|2.897322|2.636673|2.831724|3.501284|4.211981|8.055308|7.113603|0.216113|9.281733|25.685765|0.500000| |2.708656|2.344410|2.199564|2.306722|2.646382|2.927749|4.604173|3.989807|7.082229|4.408265|0.108803|3.703785|3.904667|3.119613|2.964570|3.394848|4.491137|5.099996|10.606841|6.663852|0.166160|7.789414|17.320733|0.259020|36.858105| |2.915031|2.460915|2.250236|2.328194|2.697656|3.104985|5.074883|4.274835|6.990013|5.059735|0.117669|4.569829|5.243295|3.999312|3.791648|4.481850|6.515303|7.804073|17.859710|8.003116|0.204200|6.688716|10.437568|0.197624|12.548283|36.858105| |2.341843|2.089896|2.049564|2.220156|2.524613|2.614102|3.977121|3.559430|7.001515|3.765922|0.103362|3.025619|2.900420|2.402727|2.236781|2.416447|2.922017|3.329065|6.030481|4.940061|0.129231|7.589231|17.154474|0.258726|7.619995|4.957152|36.858105| |2.015135|1.827036|1.785800|1.900539|2.111634|2.189439|3.274689|2.804308|5.332145|2.987517|0.081793|2.549351|2.505837|2.136127|2.030802|2.208989|2.624003|2.869855|4.929872|3.789940|0.104275|4.906648|10.220676|0.197644|6.297353|4.316315|12.355131|36.858105| |1.807585|1.663149|1.650255|1.767260|1.940571|1.968288|2.897033|2.458754|4.743814|2.578054|0.072514|2.218997|2.142100|1.859574|1.764069|1.885587|2.180372|2.373209|3.914978|3.083509|0.085555|3.897935|6.887669|0.138578|4.216590|3.230708|7.751702|12.286724|36.858105| |1.908468|1.755172|1.764967|1.924542|2.128531|2.119006|3.114432|2.693628|5.368378|2.778883|0.080050|2.326726|2.187992|1.887680|1.765332|1.862039|2.146210|2.380974|3.937438|3.235218|0.088300|4.275737|6.888269|0.134262|3.925168|3.080928|8.009036|7.722536|12.369785|36.858105| |2.175845|1.959427|1.956255|2.154700|2.448521|2.465849|3.732839|3.364993|6.785362|3.563071|0.103935|2.855704|2.626210|2.204052|2.023854|2.128144|2.497419|2.866780|4.934665|4.308561|0.116840|6.324413|10.172407|0.193392|4.911268|3.784936|12.441885|7.824212|7.835314|12.439891|36.858105| |3.171557|2.719539|2.304632|2.199268|2.419919|2.924023|4.431496|2.893884|4.376698|3.059165|0.074449|3.795274|5.019146|7.595526|12.664984|7.601889|5.047573|4.431458|4.531741|2.908733|0.078542|2.393871|3.020888|0.060871|2.411671|2.940585|1.901362|1.754044|1.550190|1.549744|1.746621|36.858105| |2.616312|2.291629|1.991372|1.920900|2.101376|2.470581|3.744143|2.535886|3.904985|2.746757|0.068195|3.379624|4.281058|5.891110|8.146341|6.073679|4.366739|3.878233|4.117699|2.677701|0.074344|2.223614|2.864835|0.058589|2.283399|2.779619|1.809704|1.694659|1.501880|1.488813|1.667703|14.409410|97.533100| |3.160725|2.786979|2.331155|2.173950|2.339157|2.807607|4.078322|2.642414|4.078618|2.696395|0.066010|3.167175|4.051364|5.377023|8.156293|6.841695|4.606460|3.848251|4.093313|2.601435|0.069297|2.207308|2.816510|0.056188|2.274646|2.712552|1.800443|1.672375|1.481974|1.476695|1.646148|14.416094|20.154185|97.533100| |3.220145|2.776482|2.365478|2.261630|2.484955|2.983630|4.484623|2.873687|4.334771|3.002094|0.074328|3.772063|4.618768|6.939519|8.143853|5.311235|4.042056|3.846906|4.085513|2.739481|0.074032|2.272630|2.822267|0.056928|2.196629|2.612978|1.794590|1.645407|1.471867|1.487412|1.675950|14.414817|20.134680|20.074314|97.533100| |5.316620|8.175103|14.370393|8.171578|5.306918|4.675451|4.716790|2.969581|5.328755|2.416986|0.063198|2.280240|2.299593|2.250949|2.190399|2.185125|2.231563|2.281666|3.044369|2.189938|0.054424|2.165643|2.610138|0.049216|1.942855|1.970425|1.834834|1.624526|1.517088|1.615613|1.760263|2.051115|4.042329|4.726457|4.735365|97.533100| |17.704750|8.945090|5.686873|4.957975|5.641622|8.908141|9.926547|4.984405|7.463004|3.999825|0.093933|4.042628|4.597360|4.594492|4.474529|4.410984|4.428314|4.481950|5.297664|3.498032|0.083505|3.087117|3.592214|0.067529|2.801114|3.116175|2.321368|2.018124|1.791108|1.864937|2.127904|3.803192|6.815689|8.617424|8.539318|9.621651|0.500000| |8.866336|17.748650|8.957606|5.647472|4.942017|5.625375|5.692172|3.330082|5.568389|2.741990|0.068759|2.691969|2.880004|2.911179|2.929242|2.934611|2.908750|2.866868|3.633166|2.490155|0.061369|2.352862|2.839438|0.053575|2.186370|2.306215|1.928830|1.712976|1.560441|1.629381|1.800215|2.735314|5.177844|6.494290|6.255731|16.695155|0.214008|0.500000| |4.961485|5.651367|8.967775|17.746587|8.882082|5.638730|5.635612|3.719761|7.140079|2.874841|0.077450|2.575642|2.454640|2.306755|2.150264|2.126282|2.240734|2.406357|3.331001|2.522626|0.062057|2.565974|2.983216|0.055924|2.131831|2.120381|2.117168|1.822501|1.719683|1.887557|2.087920|1.961469|3.910291|4.360814|4.541560|16.723320|0.107652|0.124665|0.500000| |5.646920|4.945421|5.678586|8.944993|17.795202|8.909912|9.597540|6.663207|13.642106|4.441399|0.120739|3.673564|3.277198|2.915113|2.579839|2.521694|2.744199|3.139944|4.456465|3.579600|0.085095|3.611797|3.886182|0.072255|2.680083|2.689416|2.666489|2.199059|2.040777|2.280939|2.651654|2.259114|4.483450|4.852085|5.219605|9.617697|0.124093|0.107441|0.214160|0.500000| |7.417894|4.851380|4.092903|4.313661|5.824997|9.275087|26.101668|9.472522|10.884954|7.359951|0.156333|7.730196|7.671718|6.460220|5.003805|4.547090|4.919384|6.184567|7.192651|5.217114|0.120245|4.129719|4.423237|0.084166|3.276095|3.779357|2.722409|2.290107|2.017091|2.133556|2.537237|3.893591|7.183296|7.850568|8.937096|7.195152|0.221177|0.114097|0.098701|0.146632|0.500000| |3.991900|3.130295|2.845105|3.052626|3.835152|4.679989|9.340758|6.729128|8.599007|8.804113|0.208711|17.576673|8.871457|7.178059|4.756547|4.007695|4.237709|5.663521|6.673840|5.559102|0.145975|4.060874|4.390236|0.088545|3.098764|3.658871|2.651782|2.259134|2.008172|2.122288|2.555834|3.799778|7.489880|7.122388|8.997974|5.362978|0.116434|0.077913|0.075181|0.107858|0.235147|0.500000| |3.124482|2.552284|2.352682|2.509894|3.047053|3.547925|6.553936|5.425265|7.599186|8.923488|0.223845|17.537398|8.866409|6.337939|4.457135|3.960678|4.395018|6.181236|7.733738|6.968210|0.218874|4.628882|5.136829|0.108873|3.555768|4.370383|2.968057|2.544856|2.227533|2.320773|2.846650|3.516026|7.384067|6.559442|7.849325|4.551406|0.091579|0.064886|0.063280|0.087165|0.149377|0.305714|0.500000| |3.644607|2.945215|2.555984|2.562407|2.985995|3.686862|6.250137|4.076562|5.762731|4.642810|0.110753|7.083220|8.952430|17.726999|8.955795|5.672030|4.982625|5.648298|5.659054|3.938917|0.107009|3.021501|3.590133|0.072912|2.723511|3.350049|2.201616|1.963758|1.737562|1.777317|2.063850|7.042089|12.753299|11.107458|17.623879|4.952709|0.116520|0.077478|0.063075|0.079390|0.165462|0.216822|0.173166|0.500000| |3.265540|2.799552|2.356575|2.235965|2.452620|2.976410|4.462853|3.015873|4.661053|3.137435|0.074384|3.551233|4.944566|5.668146|8.905678|17.744112|8.971197|5.632940|5.685375|3.266856|0.085717|2.731037|3.575789|0.070585|3.070517|3.885476|2.222520|2.069034|1.777067|1.740841|1.957303|7.028297|13.376183|16.975605|10.898109|4.717805|0.109973|0.078603|0.055252|0.063292|0.103854|0.091203|0.090130|0.124460|0.500000| |3.448143|2.884027|2.486489|2.434724|2.744003|3.328878|5.177683|3.754730|5.865814|3.955033|0.090471|4.078482|5.635205|4.987389|5.677821|9.033670|17.767765|8.859634|9.720190|4.631674|0.115606|3.844747|5.168268|0.098508|4.944298|7.008987|3.048570|2.783135|2.278938|2.208298|2.538804|4.128704|8.337443|8.998357|7.597456|4.896655|0.111115|0.077781|0.060159|0.071925|0.114444|0.097431|0.101936|0.108130|0.219184|0.500000| |2.856259|2.444464|2.397390|2.692019|3.268215|3.415129|5.663478|5.852764|11.763149|6.898895|0.210927|4.612320|3.894386|3.039102|2.646610|2.727722|3.290217|4.160398|7.685408|8.846090|0.215916|17.688931|12.339384|0.224102|5.653531|4.997012|7.034432|4.630620|3.950425|4.611520|7.295119|2.201071|4.634437|4.554722|4.781188|4.677981|0.077667|0.060947|0.070288|0.100297|0.104593|0.109013|0.124395|0.078377|0.066995|0.088589|0.500000| |3.457207|2.909439|2.816629|3.142027|3.856050|4.143439|6.747809|6.993854|14.940712|6.647728|0.166347|4.475193|4.156043|3.221459|2.880131|3.080489|3.862639|4.816552|9.566797|8.770622|0.173945|17.715399|12.407594|0.181638|7.077442|5.869375|7.047717|4.583788|3.718827|4.143347|5.767276|2.353952|4.852771|4.964059|5.039219|5.400991|0.093584|0.071811|0.080144|0.114244|0.119998|0.106331|0.111558|0.080570|0.075708|0.107128|0.302025|0.500000| |2.369864|2.092742|1.973262|2.052626|2.308604|2.518747|3.869182|3.256823|5.808773|3.575756|0.090936|3.138861|3.317849|2.757048|2.673533|3.062392|3.896148|4.179472|7.672140|4.985251|0.133979|5.643542|12.336070|0.224683|17.658228|8.862657|7.049541|7.262452|4.564992|3.931450|4.608794|2.226277|4.823562|4.761502|4.550870|3.980844|0.068138|0.054870|0.053215|0.064849|0.077226|0.074481|0.085662|0.067654|0.078918|0.121165|0.126724|0.144097|0.500000| |2.930452|2.546998|2.390465|2.499616|2.852861|3.150219|4.819980|4.118210|7.508745|4.206700|0.102879|3.487010|3.709967|3.012682|2.900585|3.354142|4.416610|4.836206|9.565454|5.848676|0.136925|7.101720|12.451256|0.182064|17.630825|8.850372|7.077971|5.674311|3.995926|3.818306|4.626146|2.371968|4.978117|5.119598|4.874885|4.737063|0.083487|0.065790|0.063910|0.079426|0.093413|0.082917|0.090214|0.073106|0.085273|0.138838|0.144651|0.213613|0.300057|0.500000| |2.871083|2.450180|2.212462|2.243271|2.549675|2.951293|4.668073|3.725897|6.096817|4.164251|0.097773|3.960904|4.806446|3.907581|3.941713|4.985555|7.491242|7.265169|12.373403|5.722197|0.147229|4.991990|7.652483|0.145407|9.080510|17.698160|4.148178|3.822846|2.921949|2.743316|3.223104|3.067139|6.537474|6.501604|5.981302|4.393139|0.086778|0.064804|0.056622|0.069350|0.097979|0.091266|0.104261|0.089887|0.123828|0.264065|0.109626|0.131239|0.217057|0.217127|0.500000| |2.589623|2.210317|2.035638|2.109616|2.429142|2.758861|4.508243|3.779098|6.165382|4.702054|0.113892|4.483243|4.994929|3.894714|3.653272|4.164247|5.606559|6.677131|12.285712|7.153539|0.220622|5.811722|9.331111|0.207262|8.848697|17.430214|4.567098|4.178788|3.178848|2.990623|3.653085|2.882646|6.309582|5.881531|5.777036|4.046342|0.076741|0.057847|0.053843|0.067884|0.094598|0.099327|0.127066|0.092224|0.100827|0.158180|0.130448|0.134339|0.215534|0.173337|0.303789|0.500000| |2.499065|2.243274|2.211683|2.399720|2.714577|2.787942|4.146993|3.678946|7.453585|3.668585|0.098777|2.927987|2.846055|2.373734|2.228968|2.426158|2.936108|3.292567|5.905464|4.632105|0.114998|7.014037|12.497765|0.182739|7.129284|4.680190|17.601404|8.743709|6.388406|6.905007|8.839451|1.896600|4.020853|4.083497|4.029474|4.449349|0.068166|0.057306|0.063555|0.079230|0.077646|0.072159|0.077831|0.060249|0.062328|0.086119|0.172921|0.214852|0.176266|0.219655|0.112909|0.113996|0.500000| |2.010531|1.834906|1.785635|1.879406|2.066108|2.151636|3.173908|2.663117|5.029569|2.778752|0.074623|2.407203|2.424522|2.089083|2.019100|2.229112|2.650823|2.819535|4.776685|3.484756|0.093983|4.335261|8.536060|0.157782|6.302106|4.267647|8.700933|17.603929|8.650184|5.884342|5.698823|1.748506|3.796550|3.789692|3.665340|3.672076|0.056163|0.048108|0.049953|0.059006|0.061864|0.059544|0.065999|0.053035|0.058662|0.079866|0.109783|0.117810|0.217268|0.168493|0.109914|0.111522|0.221547|0.500000| |1.946479|1.755844|1.702706|1.802342|2.007616|2.104534|3.187205|2.715948|5.030705|2.990994|0.081890|2.609497|2.574705|2.194870|2.085778|2.266463|2.690346|2.946859|5.027915|3.855263|0.110850|4.707965|9.976868|0.224966|6.330042|4.575924|8.773578|17.523848|8.743572|5.975040|6.447640|1.799894|3.952309|3.833775|3.782195|3.483771|0.054682|0.045911|0.047829|0.057885|0.062816|0.063689|0.073715|0.055994|0.058850|0.078873|0.123479|0.116290|0.217141|0.145085|0.111473|0.130451|0.175168|0.303330|0.500000| |1.720255|1.599820|1.591942|1.694098|1.836292|1.854048|2.687052|2.242078|4.322315|2.307529|0.064373|2.010602|1.963781|1.726169|1.654711|1.775265|2.035762|2.176429|3.525876|2.708207|0.074304|3.333271|5.662550|0.111500|3.718747|2.899126|5.929622|8.685919|17.612221|8.712284|5.717281|1.465452|3.194772|3.178305|3.129029|3.320114|0.047296|0.041917|0.045980|0.053278|0.052015|0.051000|0.055687|0.044846|0.046917|0.059575|0.092379|0.091100|0.112947|0.101391|0.074794|0.078403|0.153139|0.224188|0.181733|0.500000| |1.683088|1.549298|1.534062|1.638043|1.796260|1.826629|2.700477|2.277360|4.326773|2.430540|0.068954|2.130039|2.048791|1.790816|1.697505|1.802184|2.063990|2.244017|3.642248|2.882616|0.082177|3.504551|6.065714|0.129935|3.755048|3.011859|5.971722|8.769976|17.592906|8.770015|6.421590|1.500720|3.298289|3.215783|3.210710|3.181980|0.046522|0.040518|0.044313|0.052459|0.052705|0.053651|0.060261|0.046735|0.047232|0.059495|0.100169|0.090616|0.114125|0.096197|0.075832|0.084839|0.135336|0.182388|0.230739|0.304128|0.500000| |1.944213|1.804756|1.830897|2.001764|2.193078|2.156018|3.111170|2.667058|5.408787|2.661760|0.075974|2.223804|2.105781|1.827953|1.718790|1.817451|2.088047|2.294537|3.762901|3.036518|0.080804|3.996138|6.150384|0.114773|3.682760|2.899187|6.922447|6.369041|8.763834|17.555597|8.854498|1.513605|3.252633|3.268797|3.274182|3.786439|0.052350|0.046483|0.054890|0.065250|0.058689|0.056861|0.060733|0.047808|0.047413|0.059970|0.117212|0.113525|0.101171|0.104178|0.072871|0.076506|0.196120|0.151826|0.135233|0.222691|0.175423|0.500000| |1.769362|1.636245|1.653896|1.806701|1.987797|1.963699|2.877200|2.467597|4.884527|2.558184|0.074925|2.173116|2.023705|1.763521|1.645168|1.717012|1.952191|2.162488|3.497864|2.895218|0.080373|3.669539|5.625363|0.114104|3.283060|2.699026|5.693476|5.646383|8.664457|17.608747|8.728767|1.457313|3.163349|3.119113|3.167277|3.425294|0.047942|0.042265|0.049582|0.059466|0.054968|0.055636|0.060786|0.046571|0.044666|0.055299|0.112937|0.097743|0.091389|0.088043|0.067216|0.074023|0.139312|0.125963|0.135182|0.191433|0.221518|0.303363|0.500000| |2.076045|1.861476|1.847896|2.027725|2.311004|2.347940|3.609283|3.247714|6.335437|3.606458|0.107717|2.941158|2.663016|2.233194|2.033734|2.117461|2.469325|2.861480|4.869639|4.371923|0.125861|5.994452|9.569319|0.212368|4.613071|3.751428|8.811276|6.803963|6.799108|8.808484|17.493802|1.757825|3.807789|3.693930|3.802181|3.743078|0.056826|0.047656|0.054472|0.069506|0.069133|0.072721|0.083665|0.058430|0.053877|0.068883|0.201951|0.140377|0.122018|0.114761|0.087749|0.105077|0.173967|0.137745|0.180853|0.137761|0.179411|0.174015|0.216645|0.500000| 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