Version2.0 2020-07-19T01:06:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 20-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)CC[NH+]2CCN(CC2)c3c4c5c(sc4nc(n3)SCc6ccc(cc6)F)CCCC5 C34756325 RHF 6-31G(d) (6D,7F) c1ccc(cc1)CC[NH+]2CCN(CC2)c3c4c5c(sc4nc(n3)SCc6ccc(cc6)F)CCCC5 C01[X(C29H32F1N4S2)] 198 C1 612 Fc1ccc(cc1)CSc1nc(N2CC[NH+](CC2)CCc2ccccc2)c2c(n1)sc1c2CCCC1 Fc1ccc(cc1)CSc1nc(N2CC[NH+](CC2)CCc2ccccc2)c2c(n1)sc1c2CCCC1 Fc1ccc(CSc2nc3sc4CCCCc4c3c(n2)N5CC[NH+](CC5)CCc6ccccc6)cc1 InChIKey=WJTYGFIEJBNIEH-UHFFFAOYSA-O InChI=1S/C29H31FN4S2/c30-23-12-10-22(11-13-23)20-35-29-31-27(26-24-8-4-5-9-25(24)36-28(26)32-29)34-18-16-33(17-19-34)15-14-21-6-2-1-3-7-21/h1-3,6-7,10-13H,4-5,8-9,14-20H2/p+1 InChI=1/C29H31FN4S2/c30-23-12-10-22(11-13-23)20-35-29-31-27(26-24-8-4-5-9-25(24)36-28(26)32-29)34-18-16-33(17-19-34)15-14-21-6-2-1-3-7-21/h1-3,6-7,10-13H,4-5,8-9,14-20H2/p+1/fC29H32FN4S2/h33H/q+1 c1ccc(cc1)CC[NH+]2CCN(CC2)c3c4c5c(sc4nc(n3)SCc6ccc(cc6)F)CCCC5 C01[X(C29H32F1N4S2)] 198 C01 612 Fc1ccc(cc1)CSc1nc(N2CC[NH+](CC2)CCc2ccccc2)c2c(n1)sc1c2CCCC1 F[C]1[CH][CH][C]([CH][CH]1)CS[C]1[N][C]([C]2[C]([N]1)SC1=[C]2CCCC1)N1CC[NH](CC1)CC[C]1[CH][CH][CH][CH][CH]1 F[C]1[CH][CH][C]([CH][CH]1)CS[C]2[N][C]3SC4=C(CCCC4)[C]3[C]([N]2)N5CC[NH](CC[C]6[CH][CH][CH][CH][CH]6)CC5 InChIKey=DBELOSYUQLPWER-UHFFFAOYSA-N InChI=1S/C29H32FN4S2/c30-23-12-10-22(11-13-23)20-35-29-31-27(26-24-8-4-5-9-25(24)36-28(26)32-29)34-18-16-33(17-19-34)15-14-21-6-2-1-3-7-21/h1-3,6-7,10-13,33H,4-5,8-9,14-20H2 InChI=1/C29H32FN4S2/c30-23-12-10-22(11-13-23)20-35-29-31-27(26-24-8-4-5-9-25(24)36-28(26)32-29)34-18-16-33(17-19-34)15-14-21-6-2-1-3-7-21/h1-3,6-7,10-13,33H,4-5,8-9,14-20H2 3896.9891014426 -2228.8942953 1-A 35238.2124 137 475 612 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295.59 304.35 350.09 375.83 385.71 398.99 437.20 462.40 479.10 480.37 507.83 518.56 538.31 572.57 582.64 601.44 633.72 653.67 663.17 668.60 671.32 706.47 723.55 732.30 753.28 770.67 794.01 824.99 850.66 869.48 902.93 937.71 961.63 966.03 978.48 1006.86 1040.58 1083.05 1104.81 1120.27 1132.93 1180.31 1186.23 1208.28 1217.25 1229.01 1249.51 1285.52 1289.85 1308.69 1312.55 1320.31 1327.99 1335.59 1343.02 1374.06 1376.98 1382.32 1424.77 1447.74 1454.50 1488.18 1492.58 1510.96 1517.67 1546.30 1546.90 1569.00 1575.21 1590.44 1593.61 1604.01 1610.08 1619.04 1625.85 1641.53 1652.49 1659.54 1672.14 1685.62 1707.26 1708.22 1720.33 1749.05 1762.63 1766.62 1797.12 1810.24 1816.79 1823.41 1845.84 1872.72 1876.63 1880.55 1893.69 1895.87 1900.61 1914.52 1918.20 1955.17 1965.92 1999.98 2005.58 2020.96 2027.58 2041.42 2054.95 2060.76 2087.99 2091.21 2102.43 2126.01 2140.60 2144.12 2164.89 2171.64 2183.33 2191.87 2205.38 2211.62 2214.53 2251.86 2260.42 2270.92 2270.95 2285.73 2296.36 2336.33 2338.92 2340.36 2344.47 2354.73 2356.57 2358.92 2362.27 2362.85 2379.31 2381.16 2389.40 2404.77 2443.99 2463.88 2543.15 2571.66 2574.97 2579.17 2602.71 2621.39 4545.67 4560.83 4611.22 4611.76 4614.23 4616.90 4622.09 4669.22 4675.24 4681.20 4696.40 4706.32 4710.78 4720.83 4722.33 4732.67 4780.00 4786.89 4801.17 4802.75 4813.36 4817.07 4819.32 4831.06 4846.37 4846.94 4858.51 4874.15 4892.27 4897.46 4897.85 5293.67 0.609820 0.639624 0.640568 0.542535 -2228.284475 -2228.254671 -2228.253727 -2228.351760 3.288043D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE c1ccc(cc1)CC[NH+]2CCN(CC2)c3c4c5c(sc4nc(n3)SCc6ccc(cc6)F)CCCC5 C34756325 RHF 6-31G(d) (6D,10F) C1 519.205244 |X|Y|Z| 161.206513 92.261900 27.169979 73.931825 35 6 7 16 29 4 2 |36.858105| |13.747931|36.858105| |7.937656|13.755722|36.858105| |6.842995|7.908894|13.709586|36.858105| |7.937547|6.882320|7.952553|13.712831|36.858105| |13.751162|7.945757|6.882457|7.909002|13.752484|36.858105| |4.430357|5.013234|7.547883|12.563803|7.554677|5.014932|36.858105| |3.801820|4.221197|5.756930|7.643366|5.748349|4.217847|12.452440|36.858105| |2.936204|3.221976|4.118310|4.940649|4.055873|3.191770|7.500532|12.634386|53.358707| |2.840599|3.193169|4.132255|4.735859|3.763552|3.013394|7.224081|9.310925|25.680417|0.500000| |2.641510|2.787116|3.418458|4.201048|3.741304|2.954058|6.062041|7.553770|17.242995|0.259191|36.858105| |2.196138|2.321397|2.762977|3.198719|2.889379|2.394882|4.234707|4.946126|10.445721|0.199194|12.538292|36.858105| |2.056956|2.173528|2.542096|2.862863|2.608199|2.214445|3.598975|4.457685|9.036738|0.165841|7.862290|13.113515|53.358707| |2.167059|2.339431|2.765163|3.033931|2.680790|2.287640|3.800670|4.970410|10.431587|0.198180|6.660599|7.975988|17.831419|36.858105| |2.591859|2.823694|3.430109|3.843619|3.308872|2.754887|4.945251|7.659196|17.265461|0.259245|7.731781|6.650582|10.652086|12.539582|36.858105| |1.784317|1.875361|2.147530|2.366889|2.189208|1.902942|2.862232|3.351831|6.102423|0.119423|5.127084|7.893821|18.265231|7.946625|5.129793|36.858105| |1.649134|1.719538|1.934631|2.107988|1.980367|1.751449|2.465476|2.887239|4.930956|0.095121|3.956024|5.168784|10.530519|6.025780|4.301814|13.612969|36.858105| |1.648887|1.706017|1.898688|2.063413|1.962924|1.752227|2.361008|2.810443|4.602026|0.086391|3.575450|4.207565|8.150816|5.251267|4.156781|7.213797|13.036497|36.858105| |1.484607|1.530179|1.680675|1.804891|1.730055|1.567222|2.025304|2.352157|3.723803|0.071260|2.861572|3.290549|5.809287|3.917665|3.249723|5.153066|8.215425|14.200236|36.858105| |1.359002|1.405320|1.541778|1.645375|1.571229|1.427545|1.849008|2.089836|3.317542|0.065269|2.574941|3.050696|5.125615|3.414859|2.784304|4.904513|7.333549|7.318912|10.857257|388.023441| |1.478897|1.539791|1.714582|1.846539|1.742765|1.560126|2.126513|2.412076|3.987571|0.079067|3.171951|4.040034|7.067017|4.386495|3.330539|8.164790|13.643705|8.036909|7.680808|78.228319|36.858105| |1.424520|1.487207|1.657220|1.778960|1.673202|1.498727|2.054014|2.274448|3.753287|0.076258|3.010356|3.900222|6.264323|3.908102|3.011040|6.996464|7.881373|5.230609|5.037242|50.429908|14.408306|53.358707| |1.515606|1.590299|1.791315|1.935067|1.803398|1.598725|2.276480|2.499680|4.230454|0.087446|3.470622|4.784292|7.300093|4.365221|3.293836|8.378586|7.082280|4.615540|4.115183|35.108287|8.579731|19.821339|36.858105| |1.695318|1.786944|2.043758|2.237390|2.063084|1.799807|2.705053|3.025877|5.393019|0.111178|4.570069|7.146283|11.184838|5.917483|4.181399|14.570771|8.049733|5.031851|4.102540|30.979540|7.201590|11.045591|14.283045|53.358707| |1.424495|1.496300|1.677501|1.797772|1.675822|1.495079|2.097280|2.219329|3.649128|0.077379|2.971030|3.876948|5.288971|3.362012|2.713342|4.960004|4.285798|3.237157|3.006939|25.284586|4.919760|9.698862|10.832730|9.958838|388.023441| |1.259859|1.315654|1.453268|1.541950|1.453247|1.315619|1.756211|1.857268|2.959265|0.061944|2.356612|2.901000|4.095351|2.696836|2.239925|3.759452|3.643939|2.918489|2.881755|25.891720|4.527986|8.959949|6.811789|6.424541|74.027138|36.858105| |1.188082|1.239963|1.362503|1.437501|1.357555|1.236204|1.623145|1.686842|2.641229|0.055695|2.089440|2.498026|3.421031|2.296599|1.964282|2.974536|2.846411|2.375258|2.346387|20.181978|3.333966|5.897040|4.597613|4.928187|49.730463|12.617399|36.858105| |1.154195|1.210494|1.327238|1.386749|1.303170|1.192114|1.557273|1.611263|2.504946|0.053320|1.942291|2.284584|3.130167|2.163243|1.864871|2.659051|2.541115|2.156844|2.132457|18.020305|2.913320|4.947124|3.841262|4.316169|38.537406|7.557997|13.705807|36.858105| |1.091666|1.142887|1.246179|1.296816|1.222775|1.124715|1.443917|1.477434|2.264487|0.048240|1.749874|2.015598|2.725122|1.896904|1.669236|2.254718|2.154199|1.868777|1.848880|15.269523|2.410574|3.931014|3.044277|3.577491|28.825988|5.014178|7.886804|13.765484|36.858105| |1.063371|1.107138|1.203528|1.257625|1.193966|1.099650|1.395822|1.419232|2.160663|0.045766|1.687557|1.929845|2.580260|1.775103|1.578898|2.118550|2.024872|1.770087|1.751251|14.345558|2.248609|3.625045|2.807211|3.338887|26.237925|4.460750|6.900268|8.023094|13.823404|36.858105| |1.087983|1.127708|1.227449|1.292677|1.233174|1.132122|1.439626|1.466540|2.240103|0.047113|1.776259|2.046356|2.725858|1.840194|1.632975|2.258183|2.160008|1.877655|1.856838|15.298481|2.413901|3.929920|3.047177|3.581550|28.859323|5.014195|7.886834|6.874254|7.900786|13.822655|36.858105| |1.149876|1.192644|1.304855|1.381725|1.315663|1.200862|1.551927|1.597267|2.472307|0.051822|1.978229|2.329249|3.131233|2.080878|1.815099|2.664654|2.550550|2.170386|2.144567|18.067342|2.919104|4.944867|3.846960|4.323167|38.615209|7.557703|13.704704|7.967908|6.874132|8.023004|13.766272|36.858105| |1.008087|1.048036|1.133454|1.179630|1.123010|1.039733|1.299045|1.311684|1.974991|0.041833|1.534209|1.726333|2.297682|1.593609|1.436836|1.855214|1.776795|1.576568|1.560948|12.589053|1.944277|3.058251|2.356298|2.873511|21.070860|3.403390|4.660504|5.315933|8.174235|14.358066|8.173904|5.315901|97.533100| |1.419621|1.452895|1.575394|1.680722|1.628663|1.494432|1.847332|2.134067|3.261227|0.062196|2.464920|2.704960|4.547670|3.188142|2.818205|3.723334|5.042449|7.510065|12.656292|47.869480|4.821514|4.964869|3.109357|4.230725|17.327897|2.386492|2.009212|1.850792|1.633934|1.557768|1.643073|1.863976|3.162993|36.858105| |1.532909|1.564381|1.691988|1.806323|1.757124|1.615525|1.968578|2.315860|3.476681|0.065185|2.574064|2.720035|4.575639|3.316108|3.069478|3.490276|4.417309|6.648993|7.632714|32.671880|3.885172|4.165928|2.751268|3.902108|15.618307|2.096358|1.797704|1.673443|1.492933|1.426174|1.496039|1.677770|2.918970|12.441020|36.858105| |1.701079|1.726681|1.882992|2.047936|2.004016|1.818705|2.254709|2.704874|4.082040|0.074410|3.083874|3.203126|5.464650|3.821746|3.626984|3.968900|4.877952|7.574361|6.782490|29.828193|3.950119|4.245529|2.900890|4.280703|16.303363|2.122151|1.820043|1.681436|1.501684|1.442847|1.522807|1.710976|2.951640|7.567060|12.465373|36.858105| |1.820756|1.872805|2.084709|2.287045|2.192168|1.949670|2.600250|3.204578|5.129701|0.092285|3.900599|4.215399|7.991343|5.446830|4.822129|5.669527|7.164222|12.593139|7.642296|33.411300|4.980918|5.151991|3.594206|5.574078|19.274354|2.418878|2.039191|1.876492|1.656787|1.580765|1.668700|1.893687|3.208029|6.312716|7.543118|12.430254|36.858105| |17.729668|8.913786|5.646318|4.937369|5.646104|8.914651|3.544618|3.150531|3.441530|0.068176|2.304996|1.957020|2.518959|1.943646|2.283986|1.626650|1.517423|1.523762|1.384159|9.035074|1.370971|1.798817|1.397850|2.108787|9.377525|1.176616|1.113495|1.083946|1.028757|1.003498|1.025291|1.079921|2.147440|1.333067|1.438620|1.584000|1.676326|0.500000| |8.911656|17.727265|8.927856|5.636444|4.957655|5.648382|4.091007|3.591183|3.905222|0.080172|2.482216|2.120449|2.732391|2.176933|2.581454|1.753951|1.618141|1.606019|1.451404|9.527112|1.460095|1.924353|1.506193|2.285048|10.128135|1.260545|1.192397|1.170542|1.108299|1.071410|1.086393|1.145025|2.288181|1.382914|1.485507|1.620998|1.749955|0.214788|0.500000| |5.649720|8.937436|17.688144|8.891117|5.644700|4.954771|6.989390|5.611977|5.777545|0.123935|3.407891|2.816895|3.542296|2.894838|3.564117|2.203892|1.974211|1.921087|1.700393|11.160640|1.754086|2.317747|1.847943|2.872502|12.348071|1.498812|1.406038|1.377638|1.292099|1.241013|1.259362|1.338474|2.627416|1.584910|1.693443|1.867989|2.087029|0.124275|0.216126|0.500000| |5.649726|4.954828|5.644932|8.893362|17.689959|8.935764|6.999477|5.598935|5.615614|0.103751|4.052132|3.071062|3.720818|2.729629|3.333245|2.286468|2.063743|2.045148|1.795186|11.565054|1.809167|2.360466|1.871875|2.924929|12.324723|1.498800|1.396405|1.330828|1.246755|1.222518|1.270451|1.359503|2.582150|1.685924|1.815675|2.095923|2.292266|0.124270|0.107570|0.123918|0.500000| |8.912700|5.648250|4.957728|5.636659|8.926980|17.727397|4.092766|3.587767|3.854099|0.073854|2.700243|2.222480|2.811700|2.104132|2.489747|1.794640|1.666270|1.676310|1.508947|9.774608|1.491349|1.948534|1.519021|2.311089|10.115008|1.260513|1.186486|1.141441|1.079304|1.059431|1.093443|1.158053|2.258079|1.448410|1.565871|1.763075|1.865567|0.214799|0.124134|0.107569|0.216086|0.500000| |3.986582|4.222454|5.679266|8.911582|7.167041|4.737797|17.589366|8.798393|9.138685|0.175632|6.610120|4.478530|4.938710|3.616277|4.464084|2.902447|2.481002|2.355852|2.021048|13.198905|2.146389|2.838999|2.327645|3.772969|15.349234|1.796775|1.663664|1.583556|1.470195|1.431394|1.486651|1.603985|2.995842|1.836376|1.940326|2.237823|2.575209|0.090719|0.097243|0.143849|0.214790|0.112395|0.500000| |3.979415|4.728260|7.145766|8.882392|5.668301|4.214975|17.526753|8.849962|9.464957|0.219110|5.504024|4.160740|4.774783|3.778676|4.698090|2.837050|2.419294|2.278118|1.965916|12.961705|2.110818|2.811840|2.311894|3.732704|15.386107|1.798619|1.671786|1.616490|1.501020|1.444392|1.480361|1.590971|3.026207|1.782307|1.877872|2.116215|2.451515|0.090582|0.112209|0.214239|0.143667|0.097105|0.302729|0.500000| |3.908110|4.541067|6.224401|7.077689|5.198264|4.092902|8.847224|17.628512|12.417183|0.219172|5.586326|4.171669|5.450119|4.765493|7.438463|3.107248|2.739088|2.703555|2.288477|14.426076|2.308403|2.952660|2.354800|3.815600|14.891715|1.775671|1.616171|1.557484|1.430125|1.366574|1.402386|1.522125|2.848629|2.098367|2.297327|2.635450|3.086292|0.090352|0.109495|0.178056|0.132005|0.095693|0.173327|0.210395|0.500000| |3.800443|3.976881|5.037069|6.825042|6.023734|4.412502|8.759400|17.624886|12.385572|0.181914|7.099143|4.653298|5.889336|4.594996|6.876643|3.275782|2.891050|2.891577|2.414506|14.979898|2.398447|3.036935|2.417315|3.947703|15.108614|1.799548|1.629714|1.546479|1.418799|1.369950|1.423395|1.552374|2.850597|2.216172|2.442855|2.922149|3.411137|0.088216|0.093374|0.128773|0.174349|0.107008|0.211578|0.172951|0.302004|0.500000| |2.651906|2.727740|3.265173|4.059091|3.815554|3.025168|5.429008|7.007560|12.420661|0.182088|17.629073|8.814582|9.666769|5.863182|7.046300|4.817980|3.949164|3.748409|2.978079|18.506416|3.127781|3.939757|3.230315|5.604710|19.404526|2.226622|1.970461|1.822211|1.646245|1.596826|1.688991|1.880164|3.275327|2.600071|2.765588|3.433763|4.310279|0.064560|0.067118|0.087991|0.118570|0.078073|0.165883|0.129281|0.146005|0.217667|0.500000| |2.763996|2.905688|3.597228|4.552311|4.053071|3.130657|6.870739|6.991546|12.327548|0.224885|17.660857|8.847075|7.703039|4.979233|5.626315|4.195596|3.326805|3.009068|2.491609|16.328833|2.788092|3.697063|3.146879|5.443148|20.112718|2.246965|2.030853|1.893849|1.724839|1.675659|1.763721|1.945206|3.448003|2.178695|2.256363|2.651403|3.215353|0.066550|0.071232|0.098596|0.124072|0.079240|0.238316|0.174211|0.142208|0.177565|0.299894|0.500000| |2.057037|2.139083|2.499234|2.899516|2.701432|2.261848|3.706507|4.111768|7.614270|0.145533|8.981363|17.639672|12.462783|5.727481|4.960572|7.318041|5.029705|4.068012|3.248801|21.845436|4.076023|5.462269|4.964509|9.726873|29.029620|3.035842|2.610837|2.338089|2.064730|2.003796|2.160039|2.477966|4.020093|2.671546|2.640010|3.115659|3.980174|0.051310|0.054323|0.069824|0.081165|0.059165|0.112836|0.100007|0.096991|0.111850|0.214359|0.213866|0.500000| |2.142739|2.297459|2.748745|3.114291|2.755263|2.301202|4.134676|4.568050|9.352700|0.209386|8.838366|17.510396|12.224613|7.121669|5.807312|6.842798|4.569489|3.663637|2.975190|20.374487|3.801220|5.247543|4.932318|9.978056|30.207184|3.052624|2.657195|2.457909|2.164095|2.054651|2.159391|2.451050|4.123972|2.462454|2.447245|2.784492|3.555162|0.053114|0.058808|0.079457|0.079825|0.058954|0.119690|0.119477|0.110252|0.113761|0.173005|0.214797|0.303806|0.500000| |2.017582|2.165720|2.504624|2.695626|2.422555|2.111988|3.227848|4.141195|7.613917|0.145031|4.970403|5.720271|12.410960|17.648638|8.988951|7.361207|6.658331|6.260461|4.575120|27.147414|4.750441|5.470148|4.223111|7.240826|22.675061|2.660626|2.247243|2.124130|1.856664|1.729587|1.787813|2.023522|3.493676|3.678297|3.866153|4.350487|6.444545|0.050808|0.056554|0.072621|0.068207|0.054398|0.085057|0.088618|0.114824|0.110147|0.131009|0.109218|0.127522|0.144471|0.500000| |2.112114|2.312709|2.747112|2.951663|2.562729|2.199342|3.708293|4.579258|9.326992|0.207907|5.806831|7.156476|12.276147|17.443427|8.845026|6.914228|5.174183|4.333024|3.442062|22.617487|4.110588|5.274750|4.477728|8.182886|25.495330|2.815345|2.414662|2.307375|2.016929|1.866889|1.915668|2.160255|3.763657|2.830266|2.876837|3.182507|4.243029|0.052695|0.060362|0.081707|0.071538|0.055903|0.097157|0.107311|0.124585|0.112418|0.134418|0.130313|0.145176|0.213042|0.302769|0.500000| |2.669564|2.977850|3.622231|3.865532|3.250379|2.760626|4.750142|7.136182|12.361410|0.225757|5.628994|4.982487|7.672690|8.819331|17.625720|4.198854|3.684164|3.625868|2.952371|18.196061|2.974977|3.699039|2.931183|4.866295|17.612258|2.082893|1.846649|1.777429|1.600313|1.506730|1.543823|1.701553|3.101558|2.623117|2.877659|3.276830|4.138739|0.065443|0.076680|0.107544|0.088037|0.068592|0.113568|0.129316|0.231138|0.169835|0.143752|0.126669|0.109176|0.130691|0.212907|0.214890|0.500000| |2.604900|2.767034|3.281290|3.736325|3.359499|2.813582|4.580441|7.109283|12.423417|0.182090|7.022104|5.817563|9.576682|8.831358|17.635908|4.802207|4.283732|4.433111|3.422736|20.030000|3.273524|3.932103|3.077655|5.189513|17.908690|2.123042|1.860836|1.755115|1.576239|1.501303|1.561290|1.734702|3.081547|3.027213|3.417047|4.243193|5.675991|0.064042|0.069800|0.091655|0.095726|0.071547|0.117769|0.114848|0.187778|0.209822|0.211406|0.143554|0.129949|0.133858|0.215478|0.173176|0.299972|0.500000| |1.244300|1.303532|1.437783|1.515583|1.423732|1.293010|1.719415|1.833897|2.919871|0.061172|2.279634|2.783494|4.041658|2.733073|2.250941|3.728280|3.729454|3.008380|3.022454|27.956300|4.773610|9.408092|6.468548|6.154023|56.411633|17.648285|8.848501|7.112641|4.714646|3.992266|4.202060|5.650916|7.055596|2.496799|2.173800|2.162080|2.462475|0.032321|0.034813|0.041339|0.040579|0.034356|0.048398|0.048971|0.049175|0.049284|0.059924|0.059803|0.079029|0.081175|0.076391|0.079687|0.058703|0.059153|0.500000| |1.239693|1.286487|1.416061|1.509813|1.434746|1.300444|1.712894|1.817522|2.879762|0.059465|2.319973|2.839530|4.039577|2.610786|2.185609|3.735876|3.749384|3.034623|3.048083|28.100766|4.791609|9.393451|6.477278|6.159656|56.419892|17.647111|8.847855|5.654283|4.203332|3.992114|4.712455|7.105171|7.055379|2.521062|2.180805|2.207905|2.490178|0.032204|0.034157|0.040306|0.041320|0.034765|0.048911|0.048260|0.048088|0.049432|0.061828|0.061273|0.084083|0.080842|0.071984|0.073953|0.056085|0.058378|0.302896|0.500000| |1.173560|1.236494|1.357975|1.412183|1.319799|1.207424|1.587180|1.652820|2.579928|0.055163|1.973609|2.324902|3.231291|2.271867|1.941192|2.753370|2.639934|2.235742|2.211721|18.741117|3.034482|5.139699|3.956385|4.448026|37.875750|7.006827|8.908167|17.709902|8.958465|5.689965|4.952093|5.655228|9.627428|1.913013|1.730060|1.726533|1.936581|0.030596|0.033292|0.039342|0.037278|0.032015|0.044492|0.045921|0.044668|0.043881|0.051245|0.053063|0.065027|0.069832|0.062433|0.068043|0.051732|0.050444|0.213347|0.143499|0.500000| |1.063431|1.116031|1.213765|1.255048|1.181043|1.090392|1.390429|1.419214|2.161800|0.046215|1.651769|1.881788|2.548194|1.799909|1.595083|2.082254|1.992985|1.747344|1.730017|14.132581|2.205849|3.525567|2.716054|3.257701|24.664828|4.078485|5.609473|8.853417|17.744730|8.961599|5.644621|4.955002|16.721082|1.541588|1.417567|1.420421|1.561642|0.027891|0.030179|0.035061|0.033304|0.029038|0.039134|0.040290|0.038374|0.037758|0.043129|0.045282|0.053016|0.056234|0.049066|0.053403|0.042824|0.041762|0.111468|0.096684|0.214046|0.500000| |1.057462|1.091477|1.183746|1.248468|1.197684|1.102359|1.383708|1.402334|2.124811|0.044507|1.691369|1.926425|2.549263|1.716758|1.540445|2.087074|2.001106|1.760175|1.741537|14.173053|2.210343|3.524182|2.719693|3.263118|24.701781|4.078504|5.609501|4.955073|5.644632|8.961267|17.744837|8.853906|16.720126|1.555168|1.422258|1.452290|1.579319|0.027734|0.029190|0.033606|0.034354|0.029675|0.039850|0.039390|0.037173|0.037956|0.044924|0.046920|0.056834|0.056046|0.046258|0.049295|0.040433|0.041133|0.096647|0.111404|0.107551|0.124632|0.500000| |1.165518|1.203223|1.316164|1.402788|1.343233|1.223793|1.577161|1.626217|2.517484|0.052314|2.042487|2.411027|3.233444|2.110562|1.844700|2.764543|2.658925|2.262884|2.236008|18.835810|3.046196|5.135256|3.967604|4.461822|38.009360|7.006541|8.907785|5.655276|4.952044|5.689896|8.958665|17.710100|9.627327|1.939226|1.738622|1.784922|1.970716|0.030389|0.031973|0.037311|0.038775|0.032878|0.045557|0.044597|0.042798|0.044194|0.054349|0.055764|0.072526|0.069471|0.056913|0.060073|0.047656|0.049343|0.143368|0.212897|0.124155|0.107550|0.214054|0.500000| 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