Version2.0 2020-07-17T04:23:14Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc5ccc(N4CCN(c3ccc(S(=O)(=O)C2(C(=O)NO)CCN(C1CC1)CC2)cc3)CC4)cc5 633655 CHEMBL1084510 RHF 6-31G(d) (6D,7F) COc5ccc(N4CCN(c3ccc(S(=O)(=O)C2(C(=O)NO)CCN(C1CC1)CC2)cc3)CC4)cc5 C01[X(C26H34N4O5S1)] 204 C1 612 ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC COc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)[S](=O)(=O)C4(CCN(CC4)C5CC5)C(=O)NO InChIKey=HMVRHAWMVBUIKM-UHFFFAOYSA-N InChI=1S/C26H34N4O5S/c1-35-23-8-4-21(5-9-23)29-16-18-30(19-17-29)22-6-10-24(11-7-22)36(33,34)26(25(31)27-32)12-14-28(15-13-26)20-2-3-20/h4-11,20,32H,2-3,12-19H2,1H3,(H,27,31) InChI=1/C26H34N4O5S/c1-35-23-8-4-21(5-9-23)29-16-18-30(19-17-29)22-6-10-24(11-7-22)36(33,34)26(25(31)27-32)12-14-28(15-13-26)20-2-3-20/h4-11,20,32H,2-3,12-19H2,1H3,(H,27,31)/f/h27H COc5ccc(N4CCN(c3ccc(S(=O)(=O)C2(C(=O)NO)CCN(C1CC1)CC2)cc3)CC4)cc5 C01[X(C26H34N4O5S1)] 204 C01 612 ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC ONC(=O)[C@@]1(CC[N@@](CC1)C1CC1)[S]([O])([O])[C]1[CH][CH][C]([CH][CH]1)[N@@]1CC[N@](CC1)[C]1[CH][CH][C]([CH][CH]1)OC CO[C]1[CH][CH][C]([CH][CH]1)N2CCN(CC2)[C]3[CH][CH][C]([CH][CH]3)[S]([O])([O])C4(CCN(CC4)C5CC5)C(=O)NO InChIKey=HMVRHAWMVBUIKM-UHFFFAOYSA-N InChI=1S/C26H34N4O5S/c1-35-23-8-4-21(5-9-23)29-16-18-30(19-17-29)22-6-10-24(11-7-22)36(33,34)26(25(31)27-32)12-14-28(15-13-26)20-2-3-20/h4-11,20,32H,2-3,12-19H2,1H3,(H,27,31) InChI=1/C26H34N4O5S/c1-35-23-8-4-21(5-9-23)29-16-18-30(19-17-29)22-6-10-24(11-7-22)36(33,34)26(25(31)27-32)12-14-28(15-13-26)20-2-3-20/h4-11,20,32H,2-3,12-19H2,1H3,(H,27,31)/f/h27H 4036.5673689317 -1993.7862569 1-A 36101.1918 137 475 612 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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 7230.5579 60913.6403 63177.5291 0.99999 0.00356 -0.00017 -0.00356 0.99993 -0.01133 0.00013 0.01133 0.99994 1 0.01198 0.00142 0.00137 0.24960 0.02963 0.02857 17.10 31.03 36.00 46.84 60.65 66.27 84.01 101.05 108.04 124.35 130.98 151.06 182.26 201.58 229.75 236.42 253.25 260.63 294.32 304.34 327.70 336.24 363.93 382.52 404.48 414.12 418.53 422.99 431.30 453.07 455.94 480.89 539.54 560.41 574.37 593.95 620.74 635.80 639.35 660.62 664.06 679.26 689.98 703.00 724.32 734.21 757.81 776.00 777.66 831.19 851.92 867.77 897.95 910.03 925.33 981.30 996.97 1008.38 1047.73 1079.10 1148.50 1150.06 1155.09 1168.56 1175.46 1210.30 1224.06 1271.84 1293.79 1303.92 1326.82 1329.52 1343.19 1358.37 1369.10 1373.64 1379.80 1412.82 1449.47 1455.31 1500.58 1506.19 1528.93 1530.08 1537.81 1563.16 1575.17 1578.17 1586.92 1594.10 1601.84 1642.13 1651.05 1655.37 1666.19 1684.74 1694.52 1705.73 1707.65 1708.68 1726.05 1731.95 1752.26 1770.73 1777.02 1793.56 1805.03 1818.43 1821.34 1832.36 1836.84 1855.86 1862.40 1862.73 1873.23 1893.88 1905.67 1915.88 1918.05 1931.62 1932.75 1955.66 1963.96 1969.36 1977.46 1985.16 2042.65 2048.91 2053.97 2063.07 2092.43 2100.27 2107.17 2127.29 2132.86 2165.36 2167.32 2172.82 2195.10 2213.01 2219.47 2231.85 2239.67 2249.36 2267.21 2272.26 2277.67 2288.13 2320.23 2345.08 2347.13 2360.30 2371.20 2372.20 2375.21 2379.85 2385.66 2389.72 2391.76 2403.80 2412.80 2418.74 2442.27 2479.59 2524.90 2555.42 2581.77 2624.70 2861.33 4512.72 4520.71 4533.39 4551.82 4562.25 4587.54 4612.78 4675.46 4688.72 4701.13 4702.46 4703.81 4708.70 4717.61 4727.91 4757.14 4761.04 4766.39 4768.91 4771.68 4785.17 4786.17 4854.60 4857.34 4868.12 4883.00 4885.27 4895.22 4897.19 4900.61 4914.42 4922.48 5513.39 5896.98 0.630816 0.661594 0.662539 0.566066 -1993.155441 -1993.124662 -1993.123718 -1993.220191 3.235720D-04 MUNgauss RevisionA2.0 retrievium 17-Jul-2020 DUDE COc5ccc(N4CCN(c3ccc(S(=O)(=O)C2(C(=O)NO)CCN(C1CC1)CC2)cc3)CC4)cc5 633655 CHEMBL1084510 RHF 6-31G(d) (6D,10F) C1 514.224992 |X|Y|Z| 53.040832 39.273628 178.172556 71.864993 28 6 7 16 24 3 1 |36.858105| |13.625154|73.516695| |8.018761|25.089499|36.858105| |5.259300|14.562689|13.664754|36.858105| |3.990029|9.417464|7.933409|13.852842|36.858105| |3.777085|8.164086|6.800291|7.890067|13.650949|36.858105| |2.950766|6.077719|4.506557|5.151988|7.861894|13.350426|53.358707| |2.681955|5.289922|3.756201|3.982092|5.255182|7.792026|17.886803|36.858105| |2.217688|4.331691|2.939608|3.167828|4.026433|5.085637|10.653397|12.515687|36.858105| |2.080897|4.048821|2.715007|2.928735|3.672914|4.502483|9.145123|7.822613|13.110564|53.358707| |1.805722|3.469461|2.264151|2.420915|2.916141|3.386682|6.146033|5.115027|7.785292|18.535551|36.858105| |1.691243|3.223133|2.075574|2.199263|2.588793|2.949364|5.069099|3.971633|5.120324|10.731890|13.586757|36.858105| |1.507886|2.851222|1.806283|1.903181|2.191668|2.438172|4.020296|3.146436|3.925908|7.041158|7.878713|13.858614|36.858105| |1.429082|2.698216|1.700173|1.792181|2.052994|2.263582|3.701443|2.957575|3.765591|6.187248|6.821720|7.955413|13.686574|36.858105| |1.262826|2.366663|1.469496|1.539376|1.728621|1.872253|2.958992|2.328331|2.808919|4.357415|4.184513|4.748209|6.974158|10.823860|388.023441| |1.214361|2.281083|1.410793|1.485022|1.662791|1.779967|2.795234|2.193897|2.646079|3.951588|3.669389|3.846931|4.979724|7.314125|93.698744|73.516695| |1.224660|2.293054|1.417547|1.484509|1.657286|1.781936|2.786650|2.143410|2.516977|3.971609|3.679848|4.436470|6.499498|7.339514|94.255568|13.606131|73.516695| |1.216950|2.256094|1.393875|1.439231|1.598776|1.744830|2.715940|2.177128|2.563506|3.849487|3.525364|3.874199|5.090239|6.571378|73.904121|12.894182|12.823824|36.858105| |1.247838|2.310528|1.430226|1.472945|1.638176|1.797725|2.803106|2.300245|2.737359|3.955202|3.581383|3.649150|4.413527|5.846716|49.202661|11.114832|8.569605|12.329053|36.858105| |1.305858|2.407930|1.494869|1.528045|1.699704|1.887589|2.943946|2.464971|2.920384|4.159883|3.702545|3.691575|4.235649|5.226887|37.427551|8.285454|7.110485|7.936015|15.984505|73.516695| |1.192650|2.212419|1.363429|1.410023|1.562611|1.694988|2.624647|2.138433|2.535294|3.572472|3.161496|3.122721|3.661847|4.835146|41.730327|11.744627|7.465773|7.726155|13.893502|15.060748|53.358707| |1.223188|2.269139|1.399490|1.446195|1.602846|1.740571|2.691219|2.223691|2.642420|3.589415|3.101156|2.924107|3.254007|4.161380|31.472711|8.880652|5.952294|5.151858|8.221664|12.848042|18.856362|73.516695| |1.107995|2.047817|1.253910|1.292974|1.421374|1.532042|2.345858|1.852866|2.131092|3.150227|2.771297|3.014324|3.771318|4.512899|50.037281|11.016345|10.995153|12.310172|7.398052|9.548894|8.838211|7.874180|36.858105| |1.064910|1.954189|1.190913|1.217585|1.327832|1.433379|2.169561|1.719966|1.940794|2.827924|2.418503|2.599375|3.102679|3.516274|33.006693|7.470978|7.651943|7.534831|6.068551|8.966715|7.250259|7.055593|12.485674|36.858105| |1.088342|1.989923|1.213024|1.233608|1.343041|1.457637|2.200584|1.742917|1.945923|2.866240|2.432965|2.671417|3.167533|3.404290|29.917599|6.355158|7.341006|6.504533|5.130485|8.408217|5.704279|5.932262|7.764446|13.138911|53.358707| |1.029390|1.871543|1.133997|1.146723|1.238257|1.339382|1.998009|1.577461|1.731406|2.517670|2.085340|2.256835|2.582051|2.718904|22.718764|5.050163|5.638886|4.400598|3.877338|6.672248|4.588234|5.046771|5.115537|7.995667|18.021774|36.858105| |1.038566|1.877267|1.135253|1.139660|1.225087|1.330115|1.970368|1.558782|1.687252|2.442462|1.989125|2.144033|2.388383|2.451935|19.403416|4.310346|4.816367|3.579594|3.309372|6.017636|3.903779|4.480106|3.793982|5.095078|9.981928|12.770232|36.858105| |1.014797|1.837085|1.110434|1.117384|1.201783|1.301450|1.930081|1.534826|1.672282|2.389936|1.952516|2.065156|2.303691|2.438880|19.626850|4.495223|4.718217|3.717188|3.603692|6.480553|4.377370|5.015262|4.093649|5.981539|9.966307|12.660821|12.669658|36.858105| |1.182677|2.162822|1.327176|1.346651|1.475047|1.620079|2.467532|1.979261|2.225611|3.308509|2.841780|3.150444|3.746612|3.971487|32.584828|6.555531|7.679120|7.467113|6.040715|10.811434|6.016571|6.358676|6.560776|7.908683|17.871445|7.712984|6.398131|5.919030|36.858105| |1.250938|2.307265|1.426575|1.461154|1.619059|1.782993|2.764865|2.215928|2.560019|3.917601|3.529533|4.069316|5.271117|5.742087|48.996608|8.570782|11.080937|12.394242|7.516523|12.283486|6.870135|6.982297|7.613671|6.616107|10.559874|5.027533|4.264385|4.076644|12.447178|36.858105| |1.493460|2.832452|1.795512|1.902109|2.199985|2.437802|4.052166|3.338183|4.505862|6.988448|7.883096|6.884078|7.926707|13.758629|49.525860|11.320490|8.798272|5.251148|5.632895|9.409047|6.839780|8.452317|3.826853|3.118782|4.029066|2.441117|2.233033|2.265047|3.415487|4.492727|36.858105| |1.672050|3.198532|2.061065|2.199842|2.605701|2.952366|5.141647|4.386056|6.677762|10.577101|13.648807|7.936975|6.874346|7.946731|33.680533|7.789419|6.812005|3.935836|4.242697|7.677621|5.224333|6.865530|3.037907|2.605276|3.457599|2.158592|2.027550|2.034991|2.941646|3.671392|13.779613|36.858105| |2.202611|4.376757|2.965824|3.313653|4.300110|5.106592|10.642354|6.709729|7.899036|17.750280|7.814712|6.360453|4.428673|3.790411|20.104815|4.609407|4.776181|2.458108|2.456531|4.492265|3.072466|3.991393|2.074191|1.865114|2.577868|1.680150|1.631556|1.587126|2.141498|2.505274|4.030434|5.336155|36.858105| |2.655718|5.374821|3.813079|4.288908|5.922920|7.872855|17.835893|7.961274|6.690373|10.586866|5.112588|4.457157|3.380215|2.966341|16.617335|3.844757|3.986656|2.109796|2.125216|3.935113|2.672769|3.505484|1.813903|1.665521|2.318819|1.537005|1.513014|1.467120|1.917185|2.177305|3.129779|3.932110|12.532459|36.858105| |4.509972|9.227483|7.931250|6.908415|8.002701|13.785116|10.467977|6.434002|4.278877|5.210375|2.994744|2.670788|2.244362|2.086423|12.447800|2.944368|2.968196|1.665342|1.721018|3.244674|2.198543|2.951489|1.467880|1.389919|1.937477|1.318634|1.322415|1.289797|1.585769|1.720682|2.224883|2.640658|4.060330|5.750992|36.858105| |6.724967|13.981594|13.777229|7.951211|6.895122|7.872117|6.916612|4.417653|3.279476|4.080137|2.459870|2.243828|1.933638|1.811259|11.039970|2.628143|2.650754|1.485459|1.530741|2.872512|1.969516|2.643099|1.326239|1.263748|1.761043|1.208697|1.215887|1.186305|1.427920|1.532699|1.915099|2.216825|3.189058|4.203047|13.676689|36.858105| |17.644074|17.004687|5.881399|4.414814|3.414741|3.173278|3.491115|2.344561|1.984894|2.551111|1.647710|1.552181|1.396069|1.327789|8.411974|2.029387|2.045038|1.140341|1.167123|2.163471|1.524128|2.039985|1.044242|1.005041|1.396051|0.972927|0.981160|0.959637|1.108874|1.169455|1.383766|1.536271|1.983910|2.343376|3.614962|4.902616|0.500000| |17.555499|16.442217|7.040223|4.764092|3.798876|3.728506|4.004139|2.754158|2.262660|2.843655|1.814045|1.686490|1.505990|1.435906|9.021201|2.172396|2.174733|1.229609|1.269324|2.371899|1.652828|2.225689|1.118021|1.077365|1.497091|1.041490|1.052345|1.031120|1.197225|1.262478|1.509389|1.692283|2.170387|2.593505|4.573137|6.731141|0.299997|0.500000| |17.555381|16.441834|7.041525|4.763786|3.795799|3.727354|4.004761|2.675224|2.211352|2.866824|1.827829|1.728115|1.537681|1.446435|9.085105|2.170434|2.211754|1.234125|1.260002|2.348103|1.630254|2.173621|1.122597|1.080860|1.511138|1.051007|1.063932|1.034693|1.209252|1.277454|1.500756|1.677256|2.234276|2.714757|4.574949|6.727512|0.299996|0.298968|0.500000| |4.873213|13.483084|8.950496|17.734725|8.907284|5.614998|5.684970|3.337732|2.785738|3.547959|2.205827|2.021887|1.772369|1.677849|10.356414|2.513272|2.506445|1.357640|1.385378|2.539309|1.816052|2.430297|1.228426|1.156309|1.589734|1.087926|1.078823|1.059460|1.266514|1.371811|1.775054|2.027863|2.952795|3.641587|4.971846|5.667832|0.121296|0.120003|0.119920|0.500000| |3.332096|7.606247|5.642145|8.952172|17.720220|8.937463|9.946425|4.904646|4.059601|5.108987|3.010486|2.659312|2.255726|2.121210|12.676283|3.069159|3.039298|1.625855|1.660682|3.036372|2.168478|2.901315|1.447100|1.341871|1.837114|1.239516|1.218403|1.198293|1.476237|1.631733|2.281782|2.705931|4.550781|5.869546|5.683919|4.963869|0.082134|0.088293|0.088143|0.214252|0.500000| |2.695883|5.171967|3.630209|3.652834|4.541194|6.694416|12.217247|17.451779|8.932884|9.581869|4.867829|3.968700|3.147093|2.911353|16.402459|3.803409|3.795728|2.202763|2.322395|4.491938|2.893619|3.904114|1.868600|1.752380|2.446397|1.632361|1.629190|1.592528|2.062526|2.289540|3.206132|4.093146|5.855445|7.073399|6.565198|4.479580|0.065107|0.077293|0.076178|0.085075|0.114154|0.500000| |2.783476|5.484128|3.881935|4.067408|5.201931|7.274389|12.520083|17.586922|8.906311|7.702291|4.185990|3.324346|2.750353|2.658889|15.269796|3.657916|3.497316|2.031206|2.174722|4.148381|2.792978|3.853448|1.747561|1.633320|2.238251|1.499266|1.483298|1.471536|1.852309|2.046081|3.032694|3.866968|4.996882|5.728201|6.361079|4.550377|0.067481|0.081054|0.075618|0.094807|0.132951|0.300686|0.500000| |2.079415|3.984527|2.652741|2.782767|3.385735|4.183555|7.719083|8.936988|17.601899|12.499690|7.285932|4.894589|3.927191|3.910611|20.790492|4.895428|4.552872|2.748105|3.028587|5.897808|3.789969|5.255702|2.255398|2.067190|2.815116|1.836799|1.792785|1.788858|2.391935|2.737503|4.833091|7.127629|5.702942|5.003689|3.777118|2.983831|0.051935|0.059567|0.057655|0.068636|0.093336|0.220669|0.213862|0.500000| |2.153039|4.255377|2.865117|3.174356|4.059065|4.790508|9.549813|8.889004|17.465215|12.251631|6.626866|4.514568|3.630958|3.605489|19.484076|4.725006|4.348063|2.454427|2.627485|4.881788|3.400220|4.676726|2.067456|1.869654|2.517101|1.647605|1.592962|1.591461|2.081580|2.391484|4.427640|6.439606|6.982638|5.804316|3.893377|3.086879|0.053968|0.060898|0.058873|0.078915|0.118877|0.174631|0.218358|0.300273|0.500000| |1.759406|3.351815|2.163391|2.283859|2.683433|3.071669|5.221140|3.932828|4.697856|9.853123|8.876549|17.753685|8.998616|5.664152|27.940621|5.751504|6.924431|3.346050|3.117735|5.656693|3.665003|4.499113|2.700581|2.382755|3.395343|2.143415|2.066332|1.961517|2.922076|3.642326|4.960976|5.643627|6.729486|4.884456|2.797774|2.347278|0.044750|0.048404|0.050368|0.058105|0.075938|0.111831|0.090170|0.121046|0.113463|0.500000| |1.438460|2.707038|1.701034|1.783256|2.027648|2.233633|3.595103|2.757711|3.283291|5.708419|5.619707|8.954231|17.755504|8.905767|47.349483|8.199783|13.345298|5.005501|4.045655|6.816612|4.575083|5.210788|3.865893|3.187103|4.544269|2.706907|2.495456|2.360645|3.905136|5.535090|5.645881|4.955720|3.820006|3.045442|2.078599|1.814162|0.037140|0.039758|0.040922|0.046367|0.057777|0.077488|0.067570|0.090701|0.084811|0.216934|0.500000| |1.174189|2.187089|1.346820|1.401670|1.555492|1.674245|2.596127|2.088001|2.484560|3.530966|3.144923|3.126439|3.723435|5.036432|47.056317|15.883381|8.180437|7.289507|9.388547|11.023902|25.962700|17.378615|6.582454|4.932904|5.254692|3.114148|2.633737|2.905078|3.941782|4.647190|5.164551|3.836302|2.264312|1.952251|1.582704|1.420024|0.030679|0.033101|0.032710|0.036989|0.044361|0.057091|0.055539|0.074475|0.068941|0.074629|0.095259|0.500000| |1.185323|2.187403|1.343188|1.379453|1.518044|1.647555|2.520182|2.081983|2.424175|3.270150|2.763627|2.626920|2.887801|3.544987|26.929242|7.337358|5.320588|4.603717|7.040706|11.981588|13.861325|35.714916|4.155435|3.978531|4.549628|2.916762|2.605759|2.988786|3.538213|3.681160|3.921504|3.326350|2.061630|1.839313|1.586026|1.428936|0.030937|0.033776|0.032928|0.036244|0.042712|0.057581|0.056741|0.075386|0.066615|0.064281|0.073526|0.203049|0.500000| |1.080567|2.000915|1.223017|1.265299|1.389783|1.488914|2.275844|1.794344|2.068493|3.016808|2.637437|2.797643|3.429214|4.203089|45.996634|12.225914|9.679244|8.705729|6.828819|8.672998|9.932253|8.595179|17.618862|8.853791|7.661140|4.222194|3.247297|3.601294|4.894504|5.507020|3.737597|2.953355|1.994817|1.744910|1.421032|1.287389|0.028343|0.030309|0.030298|0.033505|0.039461|0.049806|0.047356|0.060736|0.056492|0.069337|0.095356|0.227555|0.124656|0.500000| |1.090880|2.018211|1.233892|1.274645|1.399408|1.501860|2.294283|1.789660|2.044851|3.062487|2.683841|2.993068|3.791850|4.341164|48.920580|10.277696|13.005314|8.882186|5.468163|7.656852|6.642334|6.417568|17.604178|8.926820|9.639096|4.846618|3.631333|3.727397|5.830504|6.933722|3.552758|2.867651|2.051826|1.792817|1.436193|1.300729|0.028599|0.030460|0.030759|0.033717|0.039657|0.050109|0.046665|0.059274|0.055139|0.075573|0.112741|0.142740|0.094017|0.302596|0.500000| |1.069337|1.959176|1.193823|1.217877|1.327098|1.435410|2.169897|1.736075|1.959526|2.810000|2.387401|2.504467|2.924153|3.359022|29.965028|7.076471|6.610417|6.737758|6.671618|10.107784|8.291858|8.130338|8.800800|17.423657|12.249657|6.927671|4.874820|6.321985|6.996302|5.748137|3.105740|2.611926|1.835892|1.647554|1.395883|1.269344|0.028022|0.030162|0.030086|0.032094|0.037177|0.049141|0.046122|0.058620|0.052494|0.063460|0.081247|0.146091|0.132979|0.213649|0.173818|0.500000| |1.005440|1.843316|1.118221|1.143478|1.240968|1.330523|1.999611|1.571991|1.758066|2.550334|2.152495|2.305642|2.713463|3.026855|28.061980|6.631891|6.794003|5.511705|4.634525|7.032488|5.995082|6.111826|8.946375|17.572621|12.543585|7.575044|4.773928|5.694801|5.714963|4.943796|2.714963|2.303850|1.705470|1.533113|1.290785|1.181038|0.026444|0.028220|0.028328|0.030285|0.034881|0.044346|0.041635|0.051603|0.047357|0.059354|0.078001|0.118187|0.096514|0.215637|0.218041|0.302947|0.500000| |0.980686|1.783867|1.077327|1.091335|1.175077|1.263087|1.876831|1.469317|1.606940|2.337134|1.926828|2.087726|2.385999|2.503180|21.177263|4.792354|5.395236|3.885075|3.378187|5.685897|4.148516|4.586540|4.747947|6.975584|12.473840|17.680089|8.778664|8.726662|5.678719|4.241651|2.245820|1.989960|1.577846|1.445697|1.241028|1.142615|0.025819|0.027504|0.027797|0.028865|0.032753|0.042033|0.038850|0.046977|0.042747|0.055359|0.070024|0.080267|0.073253|0.112391|0.131653|0.161629|0.217895|0.500000| |0.996390|1.796947|1.082270|1.084680|1.160510|1.254658|1.846353|1.449945|1.555825|2.250133|1.814252|1.956271|2.158695|2.191017|17.219141|3.864271|4.350404|3.037250|2.802209|5.056943|3.382560|3.933563|3.247353|4.159279|7.528617|8.645060|17.706841|8.541615|4.831735|3.542781|2.001087|1.835122|1.519718|1.419109|1.250291|1.156113|0.026213|0.028002|0.028387|0.028590|0.032040|0.042074|0.038386|0.045599|0.040905|0.052898|0.063014|0.064390|0.063360|0.078917|0.088703|0.109506|0.113791|0.217780|0.500000| |1.095873|1.978169|1.199843|1.200847|1.293226|1.413596|2.098155|1.669302|1.803495|2.618621|2.129252|2.302343|2.544655|2.578148|19.822842|4.330890|4.884529|3.657937|3.422230|6.444085|3.927537|4.551721|3.646712|4.628690|9.059642|8.542091|17.741481|8.617547|7.089876|4.591711|2.347047|2.150760|1.736782|1.614135|1.411126|1.292536|0.028674|0.030876|0.031260|0.031452|0.035596|0.048866|0.043961|0.053462|0.046866|0.061879|0.073677|0.072955|0.073190|0.086198|0.096416|0.125045|0.115022|0.171765|0.294216|0.500000| |1.052251|1.904992|1.154400|1.160646|1.251201|1.360800|2.024168|1.625238|1.778232|2.521923|2.063833|2.156432|2.393040|2.565149|20.329510|4.677072|4.742368|3.939992|4.051971|7.545380|4.869812|5.646034|4.146979|5.908312|9.140480|8.559495|8.630684|17.700887|6.186105|4.258811|2.419681|2.173285|1.655641|1.529081|1.349944|1.237419|0.027584|0.029790|0.029760|0.030493|0.034608|0.046912|0.043399|0.053381|0.046903|0.056427|0.067013|0.087179|0.095272|0.102353|0.100984|0.193017|0.145873|0.171670|0.171105|0.213648|0.500000| |0.961847|1.738812|1.046790|1.052887|1.127669|1.214879|1.791416|1.418065|1.536379|2.181770|1.767688|1.856750|2.054115|2.174225|17.467838|4.091028|4.224372|3.177847|3.112222|5.533450|3.929814|4.582825|3.567610|4.989890|7.495780|8.540313|8.525453|17.702251|4.477470|3.359767|2.039810|1.844340|1.460090|1.356553|1.204894|1.114259|0.025337|0.027150|0.027206|0.027815|0.031252|0.040726|0.037954|0.045471|0.040855|0.049156|0.058367|0.073480|0.076334|0.090475|0.091610|0.147136|0.142791|0.214468|0.207968|0.171360|0.292916|0.500000| |1.199439|2.188020|1.343313|1.358031|1.486455|1.639579|2.494140|2.027872|2.278946|3.321649|2.826120|3.029847|3.487989|3.770350|29.483254|6.204755|6.608595|6.624817|6.559389|13.200337|6.430875|7.004524|5.639071|6.934033|12.205945|6.736262|6.124864|6.252058|17.493536|8.837586|3.411033|2.974388|2.120244|1.911818|1.612952|1.451224|0.031200|0.033886|0.034006|0.035400|0.041177|0.058908|0.053113|0.069155|0.059056|0.077546|0.097134|0.111569|0.111215|0.125876|0.132302|0.202629|0.142147|0.137633|0.126990|0.195328|0.207015|0.129487|0.500000| |1.193651|2.175145|1.333092|1.346160|1.469532|1.617632|2.449612|1.954482|2.164484|3.239621|2.734542|3.076187|3.570295|3.581748|27.874250|5.633416|6.904761|5.513944|4.623882|8.578964|4.853763|5.365961|4.953191|5.719815|12.539879|7.105154|6.993111|5.524196|17.619544|8.996785|3.081918|2.743856|2.117553|1.916985|1.594341|1.438711|0.031076|0.033513|0.034057|0.035119|0.040665|0.057139|0.050602|0.064146|0.055776|0.081459|0.105799|0.090327|0.083079|0.108400|0.132002|0.142480|0.128348|0.149677|0.149034|0.242323|0.152967|0.117762|0.301952|0.500000| |1.231439|2.274594|1.403667|1.441396|1.594713|1.745597|2.698222|2.123813|2.431286|3.785270|3.388256|4.072688|5.421425|5.468840|48.240242|8.208911|13.239785|8.930308|5.523752|8.907465|5.665243|5.904086|6.909570|5.807923|9.539471|4.737358|4.023800|3.696234|8.927117|17.600046|4.099010|3.409853|2.485640|2.156378|1.679444|1.501071|0.032036|0.034354|0.035011|0.037701|0.044772|0.060798|0.054188|0.070714|0.063333|0.103936|0.174592|0.112119|0.086383|0.140909|0.206750|0.133055|0.129981|0.116691|0.096160|0.118146|0.102669|0.086543|0.174597|0.222429|0.500000| |1.343321|2.479574|1.543836|1.578449|1.760873|1.964271|3.079374|2.503832|2.921830|4.535960|4.156988|4.848457|6.171090|6.401248|44.498228|7.916131|9.717916|8.798684|7.065588|13.311636|6.417174|6.927109|5.519094|4.952404|7.678262|4.148089|3.793141|3.595669|8.897368|17.618464|5.048818|4.236426|2.819849|2.435046|1.898054|1.672894|0.034709|0.037715|0.038176|0.040885|0.049085|0.072659|0.063530|0.087808|0.074281|0.118844|0.171215|0.118994|0.100717|0.122919|0.140990|0.129124|0.108711|0.098078|0.088977|0.117762|0.106758|0.083449|0.218600|0.215465|0.300681|0.500000| |1.417554|2.681278|1.686928|1.783978|2.042383|2.236149|3.641549|2.998918|3.928386|5.668535|5.631504|4.960444|5.636271|8.902957|46.999580|12.762420|8.078638|5.254390|6.158192|9.797754|8.303232|10.681930|3.956916|3.206204|3.994027|2.432255|2.201134|2.282156|3.297822|4.181852|17.748306|8.960412|3.391355|2.739407|2.053384|1.788853|0.036640|0.039932|0.039385|0.046539|0.058893|0.079606|0.077940|0.118900|0.110780|0.107703|0.124037|0.179584|0.129770|0.112002|0.099203|0.090558|0.077837|0.062350|0.054710|0.063527|0.068172|0.057475|0.093039|0.081121|0.104233|0.124516|0.500000| |1.717673|3.296689|2.129595|2.281443|2.712824|3.067937|5.344651|4.712638|7.504010|9.572605|8.861837|5.633540|4.958117|5.674243|27.933978|6.850116|5.731519|3.416683|3.826226|7.020333|4.930908|6.847257|2.732443|2.389734|3.142923|1.996537|1.886268|1.912664|2.634273|3.157943|9.009697|17.780286|4.957257|3.840380|2.726219|2.285786|0.043798|0.048596|0.047466|0.058379|0.078459|0.117508|0.119930|0.234913|0.221622|0.123724|0.107665|0.100048|0.092623|0.075104|0.071119|0.067561|0.059280|0.051283|0.047614|0.055363|0.057001|0.048554|0.075205|0.068299|0.081076|0.099095|0.218682|0.500000| |2.057283|4.044520|2.685345|2.957506|3.673731|4.201776|7.707906|5.010764|5.696249|12.402668|7.313103|7.291531|4.932927|3.956536|21.038518|4.717590|5.145129|2.535403|2.464133|4.460847|3.051173|3.885849|2.142399|1.916785|2.671674|1.734040|1.681039|1.620180|2.218874|2.622342|3.953851|4.908298|17.642761|8.925085|3.521112|2.866451|0.051880|0.055909|0.058529|0.074432|0.107242|0.131435|0.109707|0.127583|0.142318|0.244283|0.121434|0.062755|0.055800|0.056757|0.059623|0.051828|0.048728|0.045357|0.043587|0.049716|0.046624|0.041315|0.060146|0.061411|0.073685|0.081804|0.091284|0.120258|0.500000| |2.135152|4.293745|2.885589|3.324589|4.350262|4.798717|9.528283|5.819134|7.030992|12.319584|6.695536|5.395018|4.065173|3.642945|19.669656|4.635546|4.655912|2.360893|2.366932|4.262934|3.022433|3.949863|2.015918|1.800345|2.455985|1.602490|1.544590|1.514720|2.011168|2.348599|3.965317|5.181590|17.468235|8.893273|3.709640|3.001030|0.053865|0.058330|0.059384|0.084051|0.136215|0.133890|0.130238|0.143025|0.205748|0.148848|0.097683|0.062626|0.056404|0.054524|0.055435|0.049281|0.046005|0.042042|0.040038|0.045293|0.043833|0.038910|0.055295|0.054744|0.064792|0.072109|0.094775|0.139233|0.301820|0.500000| |2.728323|5.640321|3.983288|4.683769|6.492946|7.368453|12.489133|5.728631|4.998336|7.679590|4.192097|3.842700|3.034408|2.673731|15.369962|3.584355|3.744454|1.940530|1.935373|3.544509|2.455982|3.207558|1.693355|1.555768|2.163016|1.441009|1.417077|1.372638|1.767194|1.995417|2.777399|3.362146|8.922771|17.591813|5.311939|4.156374|0.067309|0.072443|0.077482|0.112292|0.187447|0.143525|0.128078|0.109728|0.130420|0.117909|0.077692|0.050174|0.046875|0.045406|0.046827|0.042586|0.040074|0.037899|0.037133|0.041770|0.039513|0.035422|0.048664|0.049179|0.055446|0.061094|0.068462|0.091269|0.213757|0.218827|0.500000| |2.681659|5.286162|3.710249|3.926646|5.015812|6.814713|12.261193|7.068630|5.796865|9.427672|4.822272|4.447204|3.373388|2.903515|16.389015|3.733728|3.962904|2.120339|2.124897|3.974655|2.638148|3.438649|1.819799|1.686155|2.376601|1.580480|1.569907|1.509108|1.981315|2.234843|2.993706|3.674630|8.872016|17.434975|5.865055|4.277440|0.065374|0.072807|0.077862|0.092383|0.130292|0.208733|0.143822|0.130482|0.132930|0.141754|0.085833|0.053103|0.050443|0.048194|0.050022|0.046260|0.043021|0.041161|0.040941|0.046849|0.043658|0.038647|0.054860|0.055657|0.061580|0.070029|0.072582|0.097705|0.218236|0.174001|0.301092|0.500000| |3.919850|7.459584|5.663038|4.971315|5.663216|8.919717|9.505007|6.944423|4.516609|5.493836|3.152759|2.812647|2.353035|2.180246|12.945423|3.036599|3.074464|1.752547|1.819148|3.468218|2.302643|3.091865|1.534520|1.459788|2.046409|1.392814|1.404339|1.366125|1.689874|1.827902|2.321900|2.762209|4.057918|5.542717|17.725748|8.964179|0.089145|0.113269|0.113386|0.107862|0.124482|0.229218|0.185133|0.114295|0.108912|0.081961|0.060413|0.045710|0.046269|0.041058|0.041561|0.040812|0.037491|0.036230|0.036787|0.041879|0.039852|0.035324|0.047974|0.047362|0.049290|0.056507|0.059260|0.078754|0.098533|0.099621|0.133689|0.169855|0.500000| 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