Version2.0 2020-07-31T15:10:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 10-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc2cc(c(nc2c1)N3CCC(CC3)O)C[NH2+]CCC4=CCCCC4 C39404985 RHF 6-31G(d) (6D,7F) Cc1ccc2cc(c(nc2c1)N3CCC(CC3)O)C[NH2+]CCC4=CCCCC4 C01[X(C24H34N3O1)] 180 C1 488 OC1CCN(CC1)c1nc2cc(C)ccc2cc1C[NH2+]CCC1=CCCCC1 OC1CCN(CC1)c1nc2cc(C)ccc2cc1C[NH2+]CCC1=CCCCC1 Cc1ccc2cc(C[NH2+]CCC3=CCCCC3)c(nc2c1)N4CCC(O)CC4 InChIKey=RXAZPWUVSWPXHF-UHFFFAOYSA-O InChI=1S/C24H33N3O/c1-18-7-8-20-16-21(17-25-12-9-19-5-3-2-4-6-19)24(26-23(20)15-18)27-13-10-22(28)11-14-27/h5,7-8,15-16,22,25,28H,2-4,6,9-14,17H2,1H3/p+1 InChI=1/C24H33N3O/c1-18-7-8-20-16-21(17-25-12-9-19-5-3-2-4-6-19)24(26-23(20)15-18)27-13-10-22(28)11-14-27/h5,7-8,15-16,22,25,28H,2-4,6,9-14,17H2,1H3/p+1/fC24H34N3O/h25H/q+1 Cc1ccc2cc(c(nc2c1)N3CCC(CC3)O)C[NH2+]CCC4=CCCCC4 C01[X(C24H34N3O1)] 180 C01 488 OC1CCN(CC1)c1nc2cc(C)ccc2cc1C[NH2+]CCC1=CCCCC1 O[C@@H]1CC[N@](CC1)[C]1[N][C]2[CH]=[C]([CH]=[CH][C]2[CH][C]1C[NH2]CCC1=CCCCC1)C CC1=C[C]2[N][C]([C]([CH][C]2C=C1)C[NH2]CCC3=CCCCC3)N4CCC(O)CC4 InChIKey=SBTMJORJLLCDRL-UHFFFAOYSA-N InChI=1S/C24H34N3O/c1-18-7-8-20-16-21(17-25-12-9-19-5-3-2-4-6-19)24(26-23(20)15-18)27-13-10-22(28)11-14-27/h5,7-8,15-16,22,28H,2-4,6,9-14,17,25H2,1H3 InChI=1/C24H34N3O/c1-18-7-8-20-16-21(17-25-12-9-19-5-3-2-4-6-19)24(26-23(20)15-18)27-13-10-22(28)11-14-27/h5,7-8,15-16,22,28H,2-4,6,9-14,17,25H2,1H3 2584.3942744352 -1166.6664282 1-A 17097.6415 103 385 488 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.64752 -15.82485 -15.68920 -15.66897 -11.43751 -11.42539 -11.42465 -11.37867 -11.37636 -11.37394 -11.37042 -11.36744 -11.36247 -11.35690 -11.34517 -11.34014 -11.33557 -11.33085 -11.32481 -11.32226 -11.32036 -11.32025 -11.31695 -11.31621 -11.30335 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0.4588 0.6101 0.6872 0.4846 0.8449 0.6902 0.7488 0.4400 0.6095 0.6971 0.7518 0.4895 0.4030 0.8374 0.8555 0.8571 0.6803 0.8048 0.7887 0.8437 0.7774 0.8283 0.7760 0.5598 0.8009 0.7151 0.8563 0.8470 0.8364 0.6897 0.6034 0.4182 0.4224 0.5289 0.1679 0.3739 0.4953 0.4876 0.2866 0.3068 0.1503 0.1350 0.7145 0.5919 0.5728 0.5536 0.6645 0.4186 0.6800 0.8569 0.8543 0.5684 0.4889 0.0783 0.6796 0.8516 0.4100 0.8077 0.8556 0.3739 0.8315 0.3557 0.4009 0.4295 0.5822 0.4738 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 6 6 6 6 6 6 6 6 7 6 6 7 6 6 6 6 6 8 6 7 1 1 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 6307.3038 24469.9571 29347.9790 0.99997 0.00757 -0.00176 -0.00757 0.99997 -0.00286 0.00173 0.00287 0.99999 1 0.01373 0.00354 0.00295 0.28614 0.07375 0.06149 20.31 30.28 41.22 64.72 75.53 93.45 97.88 113.58 146.74 164.29 179.94 205.22 230.99 268.70 283.75 301.02 340.87 366.23 370.33 394.20 430.19 439.99 448.83 488.28 506.68 516.26 521.26 560.22 581.41 602.42 657.02 688.94 697.68 712.41 741.64 763.96 776.72 784.63 804.21 829.95 856.82 935.99 953.85 980.83 1012.44 1068.47 1159.23 1185.69 1191.53 1210.58 1219.44 1270.63 1281.24 1284.18 1286.75 1303.72 1312.76 1330.63 1339.12 1362.98 1401.01 1416.14 1451.70 1455.78 1497.24 1497.81 1504.29 1525.72 1537.75 1547.62 1564.32 1565.19 1573.01 1599.92 1605.25 1620.59 1623.98 1651.07 1670.90 1691.85 1704.92 1721.62 1745.40 1748.19 1760.49 1770.10 1806.23 1812.49 1815.13 1828.48 1831.29 1848.14 1855.64 1873.05 1902.47 1922.81 1967.52 1990.19 1996.61 1999.41 2030.74 2040.41 2047.11 2048.74 2070.33 2093.89 2115.88 2122.70 2127.89 2148.65 2153.25 2162.97 2174.44 2176.76 2182.03 2198.53 2205.33 2212.20 2223.52 2230.05 2245.81 2248.60 2257.48 2288.78 2293.46 2300.72 2315.31 2337.49 2338.78 2340.41 2348.01 2350.15 2357.61 2358.83 2362.25 2363.70 2375.90 2378.50 2384.47 2398.38 2409.10 2553.99 2628.01 2641.09 2664.76 2731.61 4570.09 4572.99 4588.31 4589.76 4592.84 4600.45 4605.00 4610.99 4617.17 4619.72 4620.05 4647.01 4657.59 4671.84 4674.65 4684.28 4690.69 4699.95 4702.33 4710.74 4712.00 4720.54 4728.29 4748.25 4780.96 4792.35 4804.27 4832.53 4840.31 4867.86 4884.46 5005.62 5339.10 5905.41 0.593013 0.617871 0.618815 0.535641 -1166.073416 -1166.048558 -1166.047613 -1166.130787 2.789670D-04 MUNgauss RevisionA2.0 retrievium 31-Jul-2020 DUDE Cc1ccc2cc(c(nc2c1)N3CCC(CC3)O)C[NH2+]CCC4=CCCCC4 C39404985 RHF 6-31G(d) (6D,10F) C1 380.270188 |X|Y|Z| 115.227994 56.994882 23.910721 53.950505 26 6 7 23 3 |36.858105| |12.634649|36.858105| |7.533086|13.364015|36.858105| |5.033725|7.859507|14.054881|36.858105| |4.416135|6.787667|7.924704|13.424975|36.858105| |3.328375|4.518625|5.127420|7.637660|13.501274|36.858105| |2.938378|3.806026|3.960830|5.113072|7.916076|13.985194|36.858105| |3.143909|4.051052|3.867151|4.583488|6.952812|7.968085|13.294408|36.858105| |3.892275|5.238496|4.601734|5.161317|7.896220|6.886595|7.974038|14.834030|53.358707| |4.995480|7.884645|6.846768|7.826851|13.570091|7.927002|6.942575|8.324915|19.097302|36.858105| |7.591060|13.975996|7.923807|6.822634|7.822933|5.142484|4.581075|5.342520|10.870729|13.467013|36.858105| |2.633797|3.191731|3.014743|3.411095|4.570269|5.176098|7.782986|13.334938|11.067107|5.292655|4.030904|53.358707| |2.422344|2.865832|2.716344|3.026604|3.871698|4.316304|5.910057|7.917254|8.159480|4.359271|3.514759|17.551199|36.858105| |2.053298|2.352013|2.240361|2.452585|2.988922|3.307361|4.261117|5.094806|5.698268|3.276822|2.788786|10.522039|12.501042|36.858105| |2.018245|2.270177|2.119618|2.268205|2.721080|2.899956|3.596243|4.436928|5.334203|3.066757|2.702113|8.892511|7.566842|12.515003|36.858105| |2.168450|2.462030|2.283778|2.448692|2.977832|3.159940|3.963982|5.083121|6.105087|3.413077|2.975179|10.582784|6.598442|7.611206|12.469191|36.858105| |2.611320|3.064309|2.791289|3.017592|3.844273|4.005421|5.189703|7.839292|9.436396|4.679845|3.896218|17.603543|7.876219|6.564507|7.537532|12.487890|36.858105| |1.759606|1.948881|1.841763|1.963084|2.296924|2.458010|2.963443|3.426471|4.170257|2.517394|2.258683|6.261676|5.133208|8.104506|13.605111|7.857097|5.062998|73.516695| |2.388276|2.935726|3.081156|3.817286|5.017373|7.631441|12.651733|7.429568|6.906921|4.483520|3.363919|8.998917|5.554386|4.437694|3.591244|3.847437|4.521068|5.470980|36.858105| |2.193203|2.629385|2.692754|3.196138|4.034158|5.349140|7.713724|6.282369|6.123718|3.848741|3.019011|9.089041|5.155096|4.581242|3.906561|4.450029|4.955458|6.074127|12.700115|53.358707| |2.249971|2.688905|2.676995|3.110010|3.981669|4.988111|7.460402|7.350597|6.875355|4.038984|3.168317|12.791282|6.426957|5.693522|4.872431|5.838890|6.589770|7.248300|9.469499|25.396133|0.500000| |2.258289|2.714842|2.799975|3.333625|4.166914|5.441647|7.160404|5.846307|6.037007|3.920352|3.091508|7.814848|4.317619|3.840171|3.468202|4.094713|4.657060|5.442032|9.237776|25.703120|0.325431|0.500000| |1.872643|2.184260|2.243960|2.603106|3.106568|3.905415|4.956378|4.289124|4.564735|2.964319|2.443193|6.459275|4.183830|4.146252|3.551808|3.838675|3.865975|5.919993|7.505888|17.317466|0.252761|0.255652|36.858105| |1.739739|1.992768|2.018210|2.281933|2.665620|3.168430|3.844048|3.598716|4.025810|2.614911|2.221354|5.569271|3.567700|3.738529|3.472754|3.893776|3.685914|6.052514|4.921558|10.401442|0.194189|0.197930|12.465028|36.858105| |1.532593|1.728523|1.757506|1.964474|2.233257|2.602234|3.025736|2.836854|3.282196|2.179625|1.894639|4.305475|2.926663|3.147823|2.941047|3.133887|2.909374|5.364358|3.770737|6.753333|0.127751|0.129908|7.572089|12.571228|36.858105| |1.438473|1.607143|1.619323|1.788893|2.023991|2.316406|2.686751|2.590875|3.035368|2.004175|1.763163|4.016402|2.833944|3.187262|3.010969|3.094479|2.764865|5.750402|3.255773|5.522596|0.110331|0.103914|5.626788|7.709220|14.391294|36.858105| |1.293649|1.429878|1.444349|1.582152|1.758791|1.984361|2.241206|2.159990|2.586441|1.735729|1.550143|3.274067|2.356342|2.628695|2.504874|2.523316|2.278552|4.835958|2.648933|4.238146|0.084292|0.081329|4.030713|4.887656|7.603635|12.635946|36.858105| |1.247135|1.374999|1.400267|1.534177|1.684967|1.897331|2.099705|1.994190|2.410967|1.644237|1.475288|2.942546|2.085708|2.252177|2.153635|2.209435|2.049826|4.054307|2.463343|3.898045|0.075724|0.077058|3.640616|4.357893|6.646349|7.559517|12.451289|36.858105| |1.316819|1.463522|1.507393|1.670591|1.834303|2.098997|2.311257|2.136768|2.560154|1.760381|1.564578|3.095966|2.171383|2.285269|2.141007|2.215715|2.110181|3.922173|2.775784|4.388485|0.082148|0.087335|4.243923|4.874702|7.526944|6.702360|7.574320|12.469861|36.858105| |1.458957|1.638395|1.687967|1.888339|2.102715|2.442086|2.732379|2.501887|2.951372|2.013722|1.765953|3.633476|2.471009|2.570008|2.407348|2.562197|2.459715|4.332654|3.351240|5.636452|0.102827|0.114222|5.778660|7.376033|12.565314|7.654086|6.383489|7.571471|12.447266|36.858105| |17.550392|8.873098|6.746937|4.635589|3.971703|3.080159|2.713673|2.851219|4.667031|4.291859|5.910767|3.291573|2.204201|1.897380|1.876049|2.031539|2.414804|2.938834|2.244558|2.844483|0.059125|0.060450|1.797413|1.684713|1.489640|1.393867|1.257622|1.220222|1.289662|1.428868|0.500000| |17.600925|8.845433|5.541399|4.164847|3.938986|3.066639|2.809186|3.105218|5.306655|4.717237|7.253481|3.621348|2.456415|2.094964|2.091814|2.249989|2.708568|3.231223|2.298869|2.914288|0.061839|0.060944|1.833357|1.718537|1.513881|1.429797|1.285362|1.233294|1.293117|1.431085|0.301341|0.500000| |17.550893|8.874657|6.740946|4.634330|3.973460|3.079219|2.714284|2.855057|4.673320|4.295842|5.916559|3.294545|2.280363|1.943784|1.893611|1.999017|2.368524|2.955621|2.243450|2.777306|0.057832|0.057832|1.763466|1.631214|1.450267|1.366896|1.236674|1.192905|1.259503|1.385156|0.302344|0.301379|0.500000| |7.045281|8.816762|17.716025|9.036067|5.632805|4.143969|3.296912|3.183730|4.972234|4.938379|5.655098|3.511216|2.363071|1.992974|1.893412|2.024091|2.413159|2.966199|2.686336|3.236316|0.065209|0.068705|2.027637|1.838872|1.623311|1.499926|1.350369|1.317236|1.417526|1.574476|0.193166|0.140827|0.192793|0.500000| |4.101906|5.598080|9.004266|17.710753|8.817413|6.957544|4.656731|3.955173|5.679286|5.593722|4.925288|4.164278|2.757312|2.280638|2.094304|2.241678|2.689580|3.270640|3.713568|4.203777|0.081439|0.089729|2.570052|2.239085|1.949395|1.766464|1.572125|1.537425|1.689106|1.901862|0.109052|0.095850|0.109004|0.217099|0.500000| |3.001720|3.917413|4.674386|6.977401|8.856259|17.688922|8.974040|5.630073|6.746906|5.634012|4.160512|5.679496|3.643683|2.930878|2.569933|2.760552|3.335073|3.974631|7.034669|6.744392|0.121818|0.141646|3.837269|3.082255|2.585326|2.281587|1.974506|1.912943|2.148174|2.488315|0.078721|0.076055|0.078623|0.110659|0.208925|0.500000| |6.948908|8.944716|5.613407|4.927915|5.614882|4.196614|4.013135|4.935449|10.058746|8.912778|17.739648|5.430886|3.521180|2.835031|2.826039|3.119976|4.094434|4.170466|3.063336|3.853886|0.084275|0.079914|2.322210|2.147361|1.838191|1.727948|1.521380|1.440050|1.511927|1.700059|0.151323|0.219707|0.151549|0.123768|0.107090|0.096362|0.500000| |2.379145|2.837956|2.767157|3.153625|4.031779|4.709960|6.502996|7.400948|7.448043|4.277530|3.396198|12.342792|17.588679|8.846133|5.511431|4.913695|5.675580|7.536708|6.468033|7.261222|0.170456|0.120806|4.384326|3.533379|2.941360|2.824663|2.366191|2.106591|2.225902|2.518059|0.060135|0.065933|0.062971|0.067070|0.081078|0.112239|0.091620|0.500000| |2.584888|3.033802|2.799032|3.039864|3.836188|4.013997|5.081867|7.011577|8.483915|4.528313|3.782411|12.308518|17.502567|8.807225|6.781262|5.812583|7.171181|8.266580|4.465425|5.559259|0.134757|0.099939|3.391605|2.982157|2.512412|2.450567|2.086864|1.866770|1.931823|2.167964|0.064347|0.073820|0.067819|0.067461|0.075751|0.093740|0.108263|0.303715|0.500000| |1.929681|2.212773|2.146006|2.377045|2.879893|3.284663|4.273928|4.754527|5.164618|3.054267|2.581310|9.452273|8.838689|17.516154|8.941156|6.804466|5.705548|13.477845|4.846225|7.231228|0.183742|0.118826|5.110304|4.554674|3.789809|3.871392|3.081077|2.579073|2.620502|2.978063|0.050037|0.054182|0.050765|0.053336|0.062292|0.082512|0.071736|0.213956|0.172952|0.500000| |1.936828|2.190559|2.092313|2.270658|2.707081|2.957766|3.654392|4.194384|4.907061|2.934980|2.555190|7.620078|8.856693|17.574541|8.876029|5.534853|4.923164|12.842058|3.809986|5.146576|0.122608|0.089634|3.561514|3.215605|2.830783|2.922438|2.486066|2.128514|2.145746|2.354936|0.049617|0.054922|0.051528|0.052183|0.059065|0.074092|0.072269|0.212464|0.213470|0.302953|0.500000| |2.080220|2.313723|2.125480|2.237741|2.659654|2.753470|3.317859|4.156154|5.292453|3.060584|2.766906|7.715394|6.792583|8.923885|17.490923|8.883264|6.772431|16.515287|3.191308|4.537567|0.111587|0.084000|3.007101|2.916821|2.520337|2.570361|2.196434|1.918519|1.909284|2.120505|0.053302|0.060607|0.054353|0.052780|0.056961|0.067554|0.082099|0.139798|0.198972|0.175218|0.218494|0.500000| |2.031384|2.310691|2.187523|2.374562|2.871246|3.134138|3.961519|4.749629|5.486416|3.172999|2.738268|9.513929|5.741097|6.809277|8.922246|17.516319|8.823394|13.083269|4.073001|6.948765|0.190898|0.129690|4.540299|4.867091|3.765174|3.699388|2.905661|2.511805|2.511525|2.966000|0.053426|0.057859|0.052133|0.054179|0.061232|0.077374|0.078010|0.127866|0.133214|0.199176|0.139559|0.174768|0.500000| |2.108912|2.347106|2.153348|2.265365|2.692949|2.782299|3.342945|4.182227|5.361271|3.105283|2.810297|7.654976|4.933970|5.525692|8.819359|17.534354|8.885141|12.296071|3.203129|4.978404|0.125859|0.096987|3.239520|3.388963|2.815028|2.803972|2.339529|2.068735|2.050610|2.345887|0.055226|0.061469|0.053846|0.053430|0.057590|0.068225|0.083434|0.108126|0.130181|0.139372|0.123917|0.216392|0.302943|0.500000| |2.816706|3.268782|2.877512|3.025713|3.801141|3.751169|4.587945|6.927131|9.912623|4.879504|4.265215|12.268788|7.131699|5.781537|6.758741|8.808085|17.556800|8.177123|3.863629|5.415437|0.136552|0.105175|3.212940|3.050909|2.501697|2.405686|2.032298|1.841078|1.888152|2.160420|0.071231|0.082913|0.070783|0.068899|0.073813|0.086628|0.131104|0.145199|0.216378|0.132541|0.129828|0.198194|0.172932|0.214173|0.500000| |2.712693|3.195165|2.908397|3.137636|3.982233|4.089582|5.123801|7.312356|9.330530|4.842713|4.055366|12.428851|5.685700|4.900388|5.494908|8.828265|17.600644|7.420560|4.383241|6.794376|0.178363|0.139697|3.822346|3.750323|2.918178|2.715189|2.238753|2.047289|2.119613|2.502765|0.070697|0.077929|0.067253|0.069695|0.077408|0.094661|0.117511|0.127051|0.145882|0.127388|0.108004|0.139316|0.213653|0.212839|0.303867|0.500000| |1.712129|1.874578|1.759299|1.854349|2.146276|2.259884|2.670418|3.091970|3.876097|2.367290|2.163620|5.443565|4.294032|5.977805|9.794192|7.038109|4.623144|35.735414|2.723682|4.102108|0.098315|0.076836|2.928082|3.050696|2.740349|2.935061|2.520523|2.139267|2.052507|2.252425|0.044821|0.049450|0.044886|0.044458|0.048204|0.057229|0.063061|0.099805|0.112997|0.153839|0.153910|0.234876|0.177928|0.199599|0.120853|0.109285|0.500000| |2.291269|2.798517|3.034451|3.821727|4.749176|7.316711|8.871572|5.510450|5.721990|3.995894|3.091040|6.573185|4.261942|3.585916|2.994033|3.179236|3.630711|4.708078|17.633421|12.352618|0.182587|0.221397|6.853912|4.563646|3.667412|3.113512|2.589163|2.469226|2.856548|3.435498|0.060451|0.060504|0.060254|0.074720|0.108112|0.223969|0.077281|0.136495|0.100348|0.108509|0.088765|0.075126|0.093704|0.075892|0.088810|0.100171|0.066050|0.500000| |2.237104|2.701882|2.798264|3.372155|4.291280|5.931859|8.774588|6.500494|6.247272|3.987650|3.089032|8.827094|6.357064|5.115996|3.846312|3.874380|4.365180|5.877321|17.627771|12.508409|0.225718|0.181768|7.099101|4.652930|3.726989|3.338047|2.727843|2.482559|2.764027|3.243830|0.057993|0.060301|0.059083|0.068484|0.091115|0.153949|0.079600|0.231096|0.136410|0.158654|0.124160|0.094340|0.112726|0.088509|0.105265|0.111606|0.079805|0.302249|0.500000| |1.822010|2.122682|2.222302|2.600827|3.036038|3.859936|4.609566|3.803086|4.164459|2.806104|2.329072|5.371046|3.554773|3.443128|2.978034|3.175255|3.262797|4.998629|6.960451|12.420581|0.179433|0.219421|17.625794|8.740177|6.869824|5.007793|3.849656|3.672544|4.572138|6.264703|0.048844|0.049104|0.047911|0.056280|0.072879|0.110589|0.060814|0.105971|0.082721|0.112996|0.085020|0.072071|0.100704|0.076475|0.077705|0.090742|0.069853|0.208481|0.177770|0.500000| |1.812697|2.102589|2.145954|2.469757|2.940520|3.647293|4.655176|4.152019|4.420127|2.841220|2.357160|6.506528|4.574546|4.743265|3.837774|3.905920|3.819114|6.480892|6.961532|12.432124|0.220736|0.180779|17.631587|8.804278|6.797097|5.797629|4.183254|3.595697|4.055631|5.050939|0.047983|0.049505|0.047766|0.053954|0.067515|0.098802|0.062696|0.136973|0.100859|0.172439|0.114613|0.089207|0.126409|0.090282|0.089242|0.100422|0.087009|0.170471|0.217344|0.301427|0.500000| |1.761482|2.009695|2.001046|2.235880|2.632936|3.062962|3.780362|3.751263|4.202476|2.659039|2.269905|6.169234|3.923913|4.306313|4.143566|4.777937|4.242556|7.321231|4.602366|9.493484|0.208233|0.175844|8.885818|17.552449|8.880468|7.329634|4.651996|3.935613|4.076368|5.490059|0.047182|0.048795|0.045737|0.050432|0.060070|0.080650|0.061819|0.103785|0.090235|0.148810|0.100048|0.093556|0.179060|0.113640|0.095133|0.118368|0.101396|0.113030|0.123954|0.173023|0.214076|0.500000| |1.779940|2.039396|2.073131|2.343286|2.717475|3.203187|3.781938|3.520257|4.016372|2.650040|2.260630|5.229843|3.240080|3.279342|3.136492|3.637417|3.560098|5.384787|4.618807|9.609508|0.175382|0.215697|8.860040|17.493006|8.891737|5.837407|4.162195|3.991318|4.532037|7.029039|0.048276|0.048698|0.046081|0.052550|0.063997|0.086984|0.060455|0.088453|0.076950|0.105868|0.078724|0.074783|0.123859|0.090270|0.082344|0.105010|0.077132|0.122324|0.115080|0.208863|0.173405|0.302334|0.500000| |1.474201|1.646545|1.642618|1.806849|2.061980|2.344887|2.762706|2.734471|3.192363|2.073444|1.823632|4.381866|3.135860|3.686867|3.518863|3.554202|3.049385|6.957463|3.305787|5.614086|0.117667|0.103294|5.444992|7.177736|9.169366|17.651678|8.622896|5.463298|4.866417|5.493222|0.039489|0.040937|0.038867|0.042076|0.049105|0.063166|0.050030|0.085296|0.074687|0.127775|0.093209|0.081567|0.120429|0.088609|0.073166|0.081674|0.097046|0.085229|0.095798|0.126990|0.164466|0.225266|0.148774|0.500000| |1.269661|1.402812|1.419837|1.556447|1.726958|1.951516|2.199870|2.111318|2.526792|1.699432|1.517895|3.192320|2.350067|2.632953|2.458620|2.415435|2.193278|4.753109|2.612545|4.055812|0.080501|0.076608|3.836623|4.291988|6.105024|8.961278|17.496557|8.804556|6.558230|5.319859|0.034179|0.035008|0.033871|0.036921|0.043060|0.054123|0.041335|0.066398|0.057903|0.085803|0.070439|0.060219|0.075986|0.061852|0.054784|0.059145|0.068337|0.071187|0.076246|0.103081|0.115395|0.113772|0.100837|0.201883|0.500000| |1.246824|1.369147|1.373425|1.491812|1.653772|1.841702|2.073412|2.033480|2.462030|1.648662|1.485295|3.101464|2.240009|2.530588|2.472804|2.482691|2.204607|4.881610|2.394961|3.806991|0.077374|0.073602|3.458506|4.205040|5.823072|8.955658|17.542281|8.809232|5.524216|4.920024|0.033690|0.034570|0.033099|0.035716|0.040985|0.050539|0.040771|0.061667|0.055653|0.081294|0.066827|0.060488|0.079126|0.064931|0.054959|0.060131|0.071697|0.064406|0.068424|0.090330|0.099533|0.117352|0.102298|0.215881|0.304887|0.500000| |1.169688|1.282542|1.307217|1.425631|1.553055|1.736079|1.901383|1.808869|2.206523|1.514527|1.368548|2.650457|1.900946|2.048908|1.959423|1.986508|1.850115|3.698101|2.205117|3.397595|0.066267|0.067136|3.082764|3.517192|4.881915|5.534031|8.833195|17.564650|8.813197|5.502728|0.031810|0.032128|0.031203|0.034319|0.039787|0.048780|0.037142|0.053529|0.047717|0.064389|0.054498|0.049010|0.061768|0.051986|0.046668|0.051140|0.054521|0.061701|0.062128|0.087176|0.085898|0.090027|0.090575|0.122259|0.219733|0.205767|0.500000| |1.237334|1.359601|1.380080|1.504781|1.648774|1.841162|2.029327|1.944090|2.368498|1.616712|1.458049|2.864772|2.004302|2.156699|2.102695|2.192146|2.028799|3.958553|2.341579|3.743347|0.073347|0.075420|3.396297|4.220792|6.098745|6.582186|8.854817|17.523187|8.869977|6.946743|0.033751|0.034052|0.032775|0.036095|0.041778|0.051351|0.039645|0.055619|0.050100|0.067912|0.056250|0.052167|0.069451|0.057683|0.050612|0.056893|0.058652|0.064910|0.064656|0.094051|0.090897|0.107711|0.112103|0.139458|0.174133|0.220250|0.303386|0.500000| |1.317092|1.466843|1.516280|1.686965|1.852441|2.134133|2.350537|2.152913|2.567592|1.768095|1.566475|3.111418|2.219938|2.334368|2.144277|2.180400|2.087346|3.917580|2.863540|4.400940|0.081822|0.085647|4.304398|4.550301|6.587255|6.162600|6.944655|8.864383|17.516052|8.852683|0.035699|0.035859|0.035142|0.039616|0.047548|0.061036|0.041937|0.064134|0.054749|0.074643|0.061511|0.053219|0.067990|0.055611|0.052102|0.057588|0.056524|0.082582|0.080751|0.131817|0.119031|0.106551|0.113646|0.129867|0.194934|0.139994|0.211488|0.173878|0.500000| |1.268050|1.403241|1.451883|1.604147|1.740925|1.977099|2.138125|1.971005|2.389073|1.662062|1.487628|2.811099|1.964592|2.040178|1.924809|2.000899|1.927909|3.501852|2.522249|3.908652|0.073048|0.079354|3.606713|4.035261|5.516173|4.908373|5.501647|8.804480|17.560688|8.844658|0.034658|0.034503|0.033737|0.038152|0.045315|0.056652|0.039853|0.055953|0.049073|0.063893|0.053423|0.048212|0.062259|0.051908|0.048326|0.054188|0.051350|0.073053|0.069006|0.109845|0.094493|0.095292|0.109665|0.106694|0.137430|0.123366|0.213619|0.211491|0.303259|0.500000| |1.446372|1.616868|1.662065|1.847185|2.043345|2.340243|2.586576|2.395377|2.865405|1.965218|1.737393|3.452771|2.311284|2.387580|2.289047|2.483419|2.390457|4.111600|3.069039|5.177403|0.095970|0.109349|4.882685|6.504284|8.936134|6.157752|5.355032|6.600082|8.816641|17.487412|0.039581|0.039449|0.038005|0.043176|0.051593|0.066008|0.046563|0.064573|0.056922|0.075515|0.060552|0.056380|0.079807|0.064134|0.058460|0.068727|0.060153|0.087051|0.080929|0.142918|0.116405|0.141659|0.197724|0.131860|0.121789|0.124406|0.138050|0.196761|0.174054|0.219569|0.500000| 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