Version2.0 2019-11-13T05:07:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 29-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]3CCN(CC3)c4ccccc4F C20803139 RHF 6-31G(d) (6D,7F) CC(C)c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]3CCN(CC3)c4ccccc4F C01[X(C27H35F1N5O3)] 207 C1 610 O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(CC1)c1ccccc1F)Nc1ccc(cc1)C(C)C O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH]1CCN(CC1)c1ccccc1F)Nc1ccc(cc1)C(C)C CC(C)c1ccc(NC(=O)C[C@H]2N(CCNC2=O)C(=O)C[NH]3CCN(CC3)c4ccccc4F)cc1 InChIKey=FDOCHGOZBIVQRN-XMMPIXPASA-N InChI=1S/C27H35FN5O3/c1-19(2)20-7-9-21(10-8-20)30-25(34)17-24-27(36)29-11-12-33(24)26(35)18-31-13-15-32(16-14-31)23-6-4-3-5-22(23)28/h3-10,19,24,31H,11-18H2,1-2H3,(H,29,36)(H,30,34)/t24-/m1/s1 InChI=1/C27H35FN5O3/c1-19(2)20-7-9-21(10-8-20)30-25(34)17-24-27(36)29-11-12-33(24)26(35)18-31-13-15-32(16-14-31)23-6-4-3-5-22(23)28/h3-10,19,24,31H,11-18H2,1-2H3,(H,29,36)(H,30,34)/t24-/m1/s1/f/h29-30H CC(C)c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]3CCN(CC3)c4ccccc4F C01[X(C27H35F1N5O3)] 207 C01 610 O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(CC1)c1ccccc1F)Nc1ccc(cc1)C(C)C O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH]1CCN(CC1)c1ccccc1F)Nc1ccc(cc1)C(C)C CC(C)c1ccc(NC(=O)C[C@H]2N(CCNC2=O)C(=O)C[NH]3CCN(CC3)c4ccccc4F)cc1 InChIKey=FDOCHGOZBIVQRN-XMMPIXPASA-N InChI=1S/C27H35FN5O3/c1-19(2)20-7-9-21(10-8-20)30-25(34)17-24-27(36)29-11-12-33(24)26(35)18-31-13-15-32(16-14-31)23-6-4-3-5-22(23)28/h3-10,19,24,31H,11-18H2,1-2H3,(H,29,36)(H,30,34)/t24-/m1/s1 InChI=1/C27H35FN5O3/c1-19(2)20-7-9-21(10-8-20)30-25(34)17-24-27(36)29-11-12-33(24)26(35)18-31-13-15-32(16-14-31)23-6-4-3-5-22(23)28/h3-10,19,24,31H,11-18H2,1-2H3,(H,29,36)(H,30,34)/t24-/m1/s1/f/h29-30H 3873.5123086638 -1638.9503854 1-A 27041.6302 132 478 610 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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 1.00783 1.00783 1.00783 1.00783 13030.0443 38103.2930 46991.1418 0.99986 -0.01666 0.00023 0.01666 0.99986 -0.00274 -0.00018 0.00275 1.00000 1 0.00665 0.00227 0.00184 0.13851 0.04736 0.03841 13.50 15.83 30.01 38.64 40.01 46.94 57.64 62.82 78.43 97.95 104.22 116.30 145.22 159.14 172.07 186.88 212.80 231.05 268.69 308.50 321.29 339.20 350.04 363.67 391.81 395.09 404.33 412.12 458.43 476.39 487.68 498.35 530.52 564.73 574.76 601.20 623.11 624.89 648.80 660.33 694.99 726.87 729.03 736.12 743.06 749.95 799.44 815.80 843.06 869.52 875.36 881.06 889.04 902.82 928.45 944.48 973.09 983.65 1012.31 1016.49 1088.67 1110.65 1148.55 1153.56 1172.30 1182.77 1187.21 1246.37 1247.76 1283.33 1302.12 1309.03 1342.45 1352.64 1371.24 1384.09 1387.80 1417.97 1425.58 1450.77 1458.75 1472.43 1484.82 1500.22 1521.37 1555.55 1561.60 1563.24 1569.96 1582.58 1588.68 1602.72 1614.53 1617.37 1621.98 1637.41 1649.58 1655.39 1672.77 1695.78 1730.34 1733.10 1739.37 1741.00 1754.93 1759.35 1762.26 1807.14 1817.84 1853.93 1876.14 1881.71 1896.13 1902.72 1903.86 1912.66 1931.52 1944.83 1968.40 1975.17 1986.62 2013.10 2015.69 2022.92 2029.73 2042.34 2058.56 2094.69 2096.10 2110.46 2122.94 2127.06 2135.59 2167.28 2172.92 2178.11 2197.07 2222.09 2231.89 2235.88 2237.70 2252.34 2259.91 2264.42 2280.36 2287.30 2313.90 2338.56 2339.94 2347.14 2354.64 2356.47 2360.51 2368.76 2371.02 2374.96 2377.02 2380.83 2386.00 2388.58 2393.78 2403.92 2411.87 2434.16 2486.82 2572.00 2586.77 2612.71 2621.41 2745.14 2753.85 2833.36 4582.40 4591.87 4607.03 4611.82 4615.84 4641.02 4651.53 4695.76 4701.30 4705.13 4708.84 4713.07 4713.38 4718.92 4724.25 4745.14 4745.63 4749.21 4751.01 4782.04 4796.07 4816.51 4822.40 4835.81 4838.05 4847.27 4862.07 4863.32 4877.43 4893.06 4905.25 4964.41 5183.99 5532.62 5551.61 0.651436 0.682867 0.683811 0.582619 -1638.298950 -1638.267518 -1638.266574 -1638.367766 3.393996D-04 MUNgauss RevisionA1.9 retrievium 13-Nov-2019 DUDE CC(C)c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]3CCN(CC3)c4ccccc4F C20803139 RHF 6-31G(d) (6D,10F) C1 496.272355 |X|Y|Z| 78.444732 36.638165 139.805761 73.791701 29 6 7 24 5 |36.858105| |12.411185|36.858105| |7.523261|12.411199|36.858105| |7.522479|12.517474|7.520691|36.858105| |5.311127|7.522289|5.304991|13.736635|36.858105| |3.999499|4.981373|3.993025|7.835200|13.725270|36.858105| |3.728829|4.397770|3.725762|6.779513|7.959373|13.758484|36.858105| |4.305220|4.986713|4.304084|7.881167|6.941491|7.957337|13.699599|36.858105| |6.059661|7.476274|6.056800|13.672476|8.028307|6.883089|7.919231|13.806262|36.858105| |2.944880|3.313427|2.938301|4.506152|5.118039|7.704348|13.418859|7.948166|5.183369|53.358707| |2.522424|2.835862|2.557161|3.652679|4.295807|6.224346|7.636265|5.191762|3.910121|19.270315|36.858105| |2.477981|2.836298|2.552921|3.597803|4.459699|6.475555|6.510532|4.477641|3.624126|11.453199|15.737974|73.516695| |2.147357|2.347281|2.164608|2.887412|3.220064|4.186251|5.014066|4.007067|3.137622|10.726934|12.535302|14.261754|36.858105| |1.966522|2.165965|2.060147|2.607483|2.839135|3.520398|4.128020|3.522133|2.839986|7.748985|7.488553|10.742705|12.290589|36.858105| |1.785796|1.938593|1.850651|2.287597|2.461839|2.967982|3.405087|2.999876|2.480139|6.085773|5.522658|8.358967|8.902055|17.606751|0.500000| |2.063533|2.272080|2.198735|2.745042|2.874669|3.480822|4.305907|3.938035|3.113383|7.815022|6.120178|8.574770|7.663716|12.414873|0.251793|36.858105| |2.038845|2.197798|2.119540|2.635093|2.697430|3.206412|4.026898|3.863411|3.050840|7.202961|5.196067|7.204964|6.606649|8.111889|0.205843|15.900635|73.516695| |2.120317|2.379941|2.361743|2.861198|2.958966|3.495881|4.239862|4.000586|3.241472|6.954358|5.196218|7.912304|5.443045|7.675845|0.166695|14.166228|15.142263|53.358707| |2.132170|2.451509|2.450601|2.934536|3.120737|3.679106|4.186816|3.791923|3.185063|6.478145|5.127516|8.654294|4.893559|6.564207|0.141822|7.744114|9.519539|17.958830|36.858105| |1.897194|2.150968|2.120248|2.528509|2.752569|3.255033|3.542137|3.113559|2.664790|5.631463|4.922311|8.809012|5.094669|7.514135|0.168206|6.715548|8.422760|10.816083|12.588375|36.858105| |1.914855|2.145475|2.059784|2.555091|2.837060|3.480533|3.825668|3.222938|2.692857|6.568347|6.485331|11.373500|7.579399|12.917804|0.251969|7.542395|9.374392|9.270827|7.796201|13.037062|53.358707| |1.803829|2.008773|1.910273|2.358711|2.663913|3.238749|3.385089|2.826593|2.421735|5.622426|5.657168|11.098571|6.451150|7.932737|0.195165|5.077979|7.155351|6.273122|5.220855|7.756209|19.366613|36.858105| |1.724013|1.889942|1.779480|2.205498|2.483879|3.006018|3.140481|2.636062|2.264637|5.265361|5.262997|9.948305|6.559395|6.998731|0.195788|4.492610|6.756416|5.271723|4.069757|5.351860|11.507273|15.808190|73.516695| |1.748876|1.966608|1.884809|2.268572|2.585563|3.052611|3.032735|2.559417|2.266790|4.689643|4.410473|9.359680|4.425996|4.994557|0.125859|3.818552|5.577118|5.133230|4.576807|6.543760|10.476752|12.412228|14.486968|36.858105| |1.672968|1.860787|1.761066|2.122138|2.439751|2.849206|2.756631|2.325368|2.088579|4.197243|3.896777|8.390648|3.893316|3.994818|0.104770|3.116123|4.769022|4.081471|3.435013|4.374653|7.087427|7.849185|13.248934|12.823157|53.358707| |1.617070|1.778282|1.677163|2.029781|2.312156|2.710651|2.674376|2.266488|2.019963|4.162862|3.895089|8.045235|4.123223|4.189077|0.114009|3.173142|4.916472|4.025713|3.264138|4.148285|7.094274|8.214891|17.139544|9.542252|25.556822|0.500000| |1.518087|1.680508|1.607497|1.874973|2.125290|2.398921|2.303309|1.996417|1.832148|3.403003|2.997872|6.214140|2.990303|3.110534|0.083547|2.565661|4.006800|3.434260|2.878674|3.559651|5.280571|5.112067|8.751131|7.621464|17.321262|0.256301|36.858105| 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|1.366372|1.463732|1.367328|1.592213|1.796868|1.965089|1.847621|1.628074|1.530551|2.655578|2.221781|4.426797|2.196105|2.084470|0.057104|1.797046|2.975476|2.342429|1.837884|2.050847|3.089872|2.679728|5.131610|2.952319|5.216916|0.108142|4.187829|6.148108|10.504448|6.127776|4.183987|13.746275|8.026274|6.946617|8.025355|13.847439|36.858105| |1.361345|1.453729|1.357099|1.594770|1.793524|1.987143|1.898000|1.668209|1.550676|2.779740|2.354379|4.639852|2.387527|2.259978|0.062768|1.917362|3.181566|2.463514|1.913322|2.159316|3.321949|2.930409|5.822029|3.136567|5.625045|0.123937|4.338498|6.273227|9.302718|6.238926|4.326322|8.151146|5.308151|4.671355|5.303856|8.155029|14.262102|97.533100| 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|17.561877|8.754373|5.472039|6.896471|5.412811|4.146985|3.800234|4.227460|5.575323|4.109405|2.591809|4.530011|2.200951|1.980481|0.050079|2.050380|3.613856|2.821476|2.076526|1.871724|2.610845|1.823207|3.127006|1.760654|2.316387|0.045881|1.538755|1.473362|2.159327|1.756405|1.883252|1.496218|1.475059|1.382619|1.319371|1.333132|1.415839|3.176056|0.301620|0.301216|0.500000| |8.950270|17.535033|8.950452|9.022607|7.451835|4.830328|4.005963|4.206713|5.602962|4.208868|2.731470|4.986525|2.257033|2.079986|0.051859|2.139536|3.647880|3.039928|2.338040|2.090068|2.845535|1.987288|3.329019|1.974858|2.571984|0.049870|1.716923|1.621841|2.388661|1.927042|2.107709|1.637205|1.632303|1.511548|1.416162|1.417665|1.516826|3.361687|0.173686|0.215589|0.213340|0.500000| |6.792060|8.734865|17.545760|6.717256|4.666505|3.743460|3.706908|4.531739|6.477406|4.028495|2.537157|4.408362|2.175978|2.085415|0.052138|2.270427|3.933895|3.334277|2.492518|2.126797|2.800879|1.886444|3.125719|1.839032|2.321860|0.045399|1.553677|1.443930|2.063200|1.645167|1.822734|1.403613|1.383714|1.282582|1.212771|1.224672|1.312219|2.948604|0.200396|0.168902|0.139012|0.173683|0.500000| |5.471219|8.752083|17.555018|6.891029|5.400373|4.133700|3.793580|4.224015|5.568771|4.092006|2.656716|4.786012|2.232586|2.152552|0.053370|2.293186|3.866445|3.411991|2.665590|2.288297|2.979808|2.024177|3.312448|2.020108|2.545891|0.049054|1.709262|1.578554|2.270934|1.804217|2.018531|1.536402|1.526006|1.404099|1.312741|1.317649|1.417617|3.157825|0.138994|0.140819|0.122430|0.213358|0.301513|0.500000| |6.891266|8.788128|17.551583|5.486876|4.270795|3.328240|3.096024|3.478848|4.579639|3.439492|2.243589|4.005299|1.931663|1.845843|0.046537|1.954832|3.363915|2.841804|2.165862|1.905530|2.520322|1.734630|2.889531|1.723813|2.211597|0.043028|1.499353|1.406958|2.027823|1.602801|1.752682|1.393112|1.390738|1.296357|1.219518|1.219737|1.298092|2.886889|0.168986|0.207275|0.140824|0.215517|0.302067|0.301236|0.500000| |5.010208|6.996819|4.999045|8.937480|17.705319|8.981412|5.672108|4.986669|5.680505|5.651229|3.730913|7.176498|2.878611|2.565374|0.062602|2.546864|4.237009|3.567111|2.808528|2.546207|3.561481|2.517135|4.192155|2.506876|3.282040|0.062966|2.130141|1.999478|3.005880|2.503363|2.803970|2.020510|1.992113|1.806756|1.679983|1.694533|1.845828|4.093593|0.116957|0.117875|0.144159|0.230845|0.116776|0.143558|0.117662|0.500000| |3.387000|4.080886|3.379784|5.615011|8.919260|17.814840|8.919225|5.654744|4.964960|9.508825|6.731483|14.443954|4.404742|3.633312|0.085142|3.402470|5.481680|4.576017|3.625278|3.366439|5.040063|3.579815|5.931133|3.424302|4.443147|0.085450|2.697238|2.483857|3.751275|3.326116|3.960276|2.422951|2.294625|2.027051|1.897407|1.964882|2.205950|5.007164|0.087602|0.081079|0.098716|0.115207|0.087444|0.098306|0.080942|0.217303|0.500000| |3.717991|4.074319|3.717678|5.625324|4.985275|5.650380|8.894670|17.689191|8.950650|9.993929|4.881795|7.179967|4.065453|3.646400|0.087113|4.308319|7.878807|5.872929|3.832341|3.108728|4.371008|2.765902|4.612412|2.457277|3.018128|0.060689|1.909232|1.748456|2.468089|2.054157|2.344662|1.637351|1.551412|1.416602|1.361477|1.416704|1.550910|3.601322|0.112560|0.085881|0.100972|0.096526|0.112566|0.100923|0.085881|0.108057|0.124122|0.500000| |6.283740|6.902444|6.279965|8.879580|5.674768|4.957949|5.655393|9.004213|17.721412|5.746562|3.302150|5.421959|2.778381|2.569953|0.063384|2.865627|5.092733|4.083680|2.897834|2.427505|3.299651|2.179677|3.641057|2.043441|2.565707|0.050863|1.673225|1.552426|2.215945|1.808012|2.019441|1.495242|1.447541|1.335245|1.274637|1.305324|1.409618|3.214327|0.212419|0.133722|0.151015|0.139748|0.212263|0.150824|0.133695|0.124305|0.107738|0.218261|0.500000| |2.816731|3.075148|2.769331|4.054870|4.300108|5.765370|9.298112|7.581094|4.906946|26.027797|9.541016|10.881190|7.701201|5.704498|0.128462|6.281716|11.330126|7.164886|4.490443|3.873319|6.090501|3.774653|6.416584|3.103826|3.789416|0.077917|2.293236|2.085916|2.934425|2.524311|2.942993|1.910827|1.765793|1.593270|1.541355|1.632857|1.818610|4.309401|0.080644|0.067496|0.079973|0.078583|0.079154|0.077600|0.066639|0.098494|0.143967|0.230799|0.116538|0.500000| |2.150825|2.306851|2.124020|2.826171|3.060517|3.879323|4.821785|4.069964|3.151846|10.200194|8.760338|10.436176|17.637293|8.941920|0.216011|7.414372|13.649607|6.901587|4.253516|4.210785|7.608720|4.816970|8.915570|3.555227|4.370117|0.094668|2.571684|2.338066|3.209309|2.795964|3.244974|2.067679|1.859437|1.671032|1.639228|1.774316|2.001997|4.892781|0.060796|0.053269|0.061417|0.060924|0.059985|0.060046|0.052734|0.075377|0.109014|0.119787|0.078718|0.242394|0.500000| |2.001850|2.171064|1.993630|2.619664|2.954337|3.764400|4.212070|3.399664|2.770248|8.075794|9.016350|13.192563|17.696909|8.811578|0.219491|5.578640|8.904981|5.847590|4.073881|4.507720|9.196112|6.912700|14.712699|4.661766|5.925904|0.134174|3.259390|2.947199|4.045776|3.690875|4.406709|2.531209|2.211902|1.951866|1.915291|2.108451|2.443417|6.098231|0.055411|0.050114|0.057451|0.058782|0.055180|0.057015|0.049944|0.075239|0.114204|0.094067|0.068560|0.156869|0.302576|0.500000| |2.164966|2.417185|2.436563|2.882351|2.887158|3.314230|4.059731|4.083928|3.346106|6.320453|4.401377|6.736785|4.490474|5.661674|0.132809|9.612114|13.997349|25.982309|8.978866|5.774803|6.833663|3.713485|5.744313|3.164724|3.537045|0.071175|2.236493|1.945588|2.603094|2.107120|2.498620|1.681094|1.569686|1.414192|1.356994|1.425059|1.583543|3.727984|0.062417|0.054304|0.058235|0.062201|0.071440|0.071498|0.059718|0.070628|0.086334|0.126933|0.088118|0.137384|0.122656|0.100975|0.500000| |2.383834|2.807792|2.780966|3.455427|3.761874|4.550258|5.141703|4.467604|3.710018|7.642500|5.933723|10.364614|5.002959|5.904660|0.125459|6.495447|8.528493|12.317408|17.549615|8.865405|9.426480|5.029222|7.044363|4.574005|4.781048|0.091071|2.911675|2.438096|3.317255|2.726881|3.462683|2.076107|1.939834|1.706371|1.605023|1.676833|1.896228|4.403317|0.066127|0.059529|0.064389|0.074433|0.077716|0.085118|0.067235|0.092659|0.123562|0.120046|0.091002|0.138201|0.118908|0.115259|0.199293|0.500000| |2.050771|2.360328|2.421050|2.754604|2.865939|3.237821|3.591215|3.397498|2.970664|5.256845|4.005912|6.917767|3.836012|4.878463|0.114183|5.771224|7.885973|12.578378|17.614858|8.941465|7.690529|4.224070|6.048876|3.960194|4.148211|0.079933|2.657268|2.219209|2.934992|2.328316|2.854844|1.859524|1.747099|1.551439|1.465208|1.527193|1.712140|3.979297|0.057505|0.052193|0.054891|0.062519|0.068748|0.073845|0.059833|0.072524|0.087734|0.095632|0.076676|0.102824|0.096071|0.092053|0.224341|0.301282|0.500000| |1.871324|2.140352|2.117596|2.487423|2.742994|3.195087|3.325477|2.907755|2.554652|5.057630|4.402569|8.471331|4.298978|5.564089|0.130794|4.932139|6.696306|7.784157|8.955072|17.653033|12.389292|7.326534|8.916327|7.835777|6.645520|0.121583|4.042286|3.095074|3.969355|3.152110|4.170974|2.393395|2.196136|1.894416|1.773662|1.869271|2.156360|5.044877|0.051373|0.047890|0.051216|0.058507|0.058292|0.064161|0.053127|0.071816|0.093448|0.078829|0.064465|0.094475|0.099321|0.110536|0.127047|0.217378|0.213870|0.500000| |1.735341|1.941625|1.930433|2.242436|2.396159|2.767186|3.015847|2.736431|2.375362|4.742529|4.003287|6.998579|4.368277|6.498954|0.164565|6.161367|8.129948|9.711791|8.921547|17.550685|12.381956|6.384395|8.559585|5.487689|5.287198|0.105061|3.308052|2.660192|3.359574|2.658042|3.299453|2.084097|1.903797|1.675534|1.598114|1.697550|1.934648|4.605958|0.048380|0.044455|0.047491|0.052317|0.054149|0.057497|0.048636|0.061955|0.078733|0.077259|0.061194|0.093753|0.105195|0.109983|0.152607|0.174213|0.219164|0.302139|0.500000| |1.882021|2.152100|2.067505|2.495893|2.884895|3.410318|3.309020|2.762761|2.462355|4.966094|4.598361|10.250344|4.249586|4.668553|0.112662|3.773613|5.477641|5.294256|5.000969|6.717053|9.557372|8.712033|10.777939|17.668844|12.377746|0.185998|6.399869|4.439484|5.809555|4.759274|7.518505|3.240788|2.900149|2.397058|2.203166|2.336533|2.794404|6.480799|0.050725|0.048251|0.052374|0.060319|0.055624|0.062308|0.052247|0.078025|0.107227|0.072459|0.061097|0.089184|0.095358|0.119187|0.091165|0.147039|0.120610|0.248315|0.146623|0.500000| |1.619700|1.812258|1.760276|2.060157|2.302614|2.652186|2.658059|2.308231|2.067968|4.050805|3.639935|7.321709|3.751233|4.413708|0.116090|3.536065|5.218068|4.857082|4.322063|6.337793|8.868792|8.789560|11.510985|17.607833|12.346068|0.209623|7.523911|4.770550|5.496518|4.185167|5.652780|3.112949|2.733587|2.290497|2.145493|2.309932|2.764628|6.589459|0.044086|0.041882|0.045050|0.050450|0.047922|0.052450|0.045003|0.062162|0.080686|0.062251|0.052462|0.076207|0.086934|0.107969|0.084201|0.114722|0.108555|0.218286|0.162229|0.300146|0.500000| |1.553201|1.734523|1.668918|1.924524|2.187544|2.440147|2.309977|2.008549|1.862338|3.342468|2.896862|6.067270|2.802182|2.921420|0.077055|2.475243|3.853719|3.391439|2.904940|3.524791|4.987073|4.560820|7.418927|6.978295|12.403737|0.180625|17.626233|8.820223|9.585874|5.820031|7.016665|4.810956|4.215638|3.250440|2.883086|3.045347|3.798324|8.392629|0.041572|0.040627|0.043529|0.049508|0.044563|0.049687|0.043298|0.061446|0.076157|0.052974|0.047203|0.062158|0.067263|0.082703|0.061732|0.082701|0.075585|0.115070|0.090019|0.187182|0.194319|0.500000| |1.433167|1.579032|1.522935|1.755579|1.961015|2.202503|2.153105|1.891984|1.733785|3.202077|2.793316|5.607536|2.868114|3.083998|0.084711|2.556116|3.996140|3.425304|2.851258|3.599092|5.239004|4.999407|8.560717|7.088255|12.369774|0.222527|17.614360|8.812798|7.683075|4.963509|5.610343|4.174985|3.493609|2.847027|2.667477|2.929574|3.646149|8.713687|0.038762|0.037450|0.040203|0.044519|0.041162|0.044921|0.039520|0.054167|0.067569|0.050814|0.044324|0.060802|0.069196|0.086194|0.061980|0.078063|0.073867|0.112690|0.096270|0.157329|0.229596|0.299374|0.500000| |1.357199|1.481567|1.415634|1.619085|1.816859|1.996560|1.900358|1.678605|1.569244|2.749706|2.334300|4.704707|2.325810|2.351274|0.064278|2.012185|3.241400|2.685752|2.182479|2.549852|3.717450|3.325531|6.018959|4.134419|7.642670|0.144513|8.985119|17.612612|12.494600|5.708913|4.965358|7.339176|5.723210|4.334540|3.951168|4.370223|5.812886|12.379058|0.036371|0.035762|0.038384|0.042363|0.037890|0.041462|0.037148|0.051320|0.061730|0.044638|0.040198|0.052149|0.057581|0.070370|0.049801|0.061501|0.057096|0.077666|0.067464|0.105468|0.115132|0.216251|0.211941|0.500000| |1.393023|1.511610|1.431557|1.673208|1.881436|2.109246|2.036822|1.781636|1.639761|3.023605|2.625938|5.258000|2.698426|2.692144|0.074833|2.230017|3.599931|2.896923|2.310639|2.740752|4.204932|3.939076|7.671370|4.617121|9.375397|0.207894|8.868932|17.479121|12.209260|7.015624|5.747028|6.725518|4.685550|3.744276|3.683194|4.450147|6.334751|17.118311|0.037516|0.036453|0.039622|0.042896|0.038535|0.041649|0.037349|0.052486|0.065550|0.047655|0.041878|0.057556|0.066309|0.084532|0.053211|0.064688|0.059246|0.081152|0.072465|0.110329|0.123584|0.173436|0.216397|0.302053|0.500000| |1.782879|1.956500|1.786178|2.195918|2.605216|2.963919|2.669578|2.236197|2.072946|3.830504|3.339458|7.256829|3.073206|2.776608|0.072506|2.334859|3.779613|3.040406|2.438880|2.702197|4.205877|3.720093|6.933509|4.153380|7.633138|0.145784|4.963285|5.711855|12.489430|17.615508|9.003500|7.329764|5.737360|4.340780|3.949728|4.360024|5.789932|12.299402|0.046993|0.046228|0.051665|0.056779|0.047078|0.051841|0.046300|0.074966|0.098670|0.057620|0.051566|0.069774|0.074714|0.095759|0.056201|0.072678|0.061370|0.079667|0.067363|0.115253|0.097672|0.130698|0.109077|0.127872|0.142971|0.500000| |1.636310|1.776419|1.638154|2.003963|2.319840|2.676185|2.530544|2.138061|1.945630|3.792099|3.396370|7.089804|3.366496|3.069442|0.082671|2.487980|4.032272|3.159085|2.490254|2.855993|4.627553|4.338338|8.852946|4.634948|9.367480|0.210325|5.751877|7.015655|12.198829|17.484529|8.859431|6.716431|4.688470|3.745423|3.680983|4.441112|6.311382|16.971884|0.043762|0.042354|0.047243|0.050639|0.043812|0.047339|0.042393|0.064867|0.086550|0.056289|0.048835|0.070537|0.081297|0.110290|0.057804|0.072118|0.062116|0.082571|0.072403|0.117015|0.109316|0.133260|0.129406|0.142912|0.205882|0.302118|0.500000| |1.980463|2.217303|2.032620|2.603547|3.132038|3.861307|3.599192|2.861027|2.527204|5.536276|5.486149|13.765586|4.884160|4.324448|0.107018|3.357922|5.186376|4.295200|3.533493|4.092017|7.008166|6.793795|12.068685|7.221372|12.325485|0.225498|5.618073|4.952529|7.667117|8.761885|17.652293|4.164004|3.495774|2.846793|2.662233|2.917534|3.626357|8.635114|0.052871|0.050387|0.056785|0.062845|0.054214|0.059592|0.051499|0.085832|0.132440|0.073762|0.061739|0.096991|0.108173|0.155805|0.076239|0.107021|0.084373|0.119792|0.096205|0.199640|0.143798|0.143854|0.126547|0.108965|0.128807|0.211184|0.213816|0.500000| |1.898106|2.152746|2.009034|2.457271|2.941348|3.414532|3.076341|2.538102|2.327831|4.419396|3.981304|9.331352|3.528501|3.391930|0.085123|2.820916|4.366675|3.807593|3.264409|3.759384|5.689391|5.170743|8.404656|7.017955|12.403733|0.182077|7.071308|5.868532|9.675711|8.852890|17.627588|4.839003|4.244674|3.266267|2.892644|3.052820|3.809053|8.400279|0.050191|0.048947|0.053818|0.062064|0.052954|0.059830|0.051399|0.083447|0.114298|0.065022|0.057397|0.078579|0.082164|0.104918|0.068797|0.099209|0.081406|0.118725|0.089651|0.224584|0.150276|0.213029|0.144109|0.131730|0.133938|0.216328|0.173523|0.299675|0.500000| |1.485274|1.626259|1.532594|1.744636|1.992477|2.123068|1.928209|1.701258|1.633964|2.667577|2.192728|4.499399|2.058530|1.988524|0.052811|1.760684|2.872125|2.378302|1.930713|2.117021|3.041678|2.558951|4.534479|3.021338|5.050130|0.093050|4.264887|5.246553|9.872203|5.257028|4.280008|8.983863|17.731383|8.886798|5.640780|4.948661|5.696430|9.627146|0.039052|0.039458|0.042330|0.047709|0.040213|0.044850|0.040609|0.058465|0.066566|0.044249|0.041617|0.049861|0.051681|0.061024|0.044891|0.056503|0.050790|0.064132|0.054578|0.085746|0.078894|0.127574|0.098482|0.152274|0.118722|0.152992|0.118899|0.098806|0.128751|0.500000| |1.315622|1.411734|1.330297|1.488154|1.666712|1.743672|1.600554|1.440369|1.397844|2.202569|1.768819|3.511378|1.684928|1.618069|0.043552|1.457505|2.422924|1.957300|1.552525|1.671749|2.397032|1.968234|3.553247|2.204209|3.525049|0.068419|2.863148|3.462638|5.672148|3.465075|2.868402|5.634865|8.923657|17.737540|8.910827|5.640912|4.991703|8.319530|0.034644|0.035293|0.037670|0.041408|0.035007|0.038443|0.035660|0.048911|0.053518|0.037738|0.036024|0.041830|0.043284|0.049818|0.037428|0.045051|0.041148|0.049515|0.043798|0.061616|0.058532|0.081630|0.070908|0.102293|0.087505|0.102510|0.087565|0.070978|0.082029|0.214212|0.500000| 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