Version2.0 2020-07-19T01:37:29Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1cccc2c1nc(s2)N(CCC[NH+](C)C)C(=O)c3cc(nc4c3cccc4)c5cccs5 C36643452 RHF 6-31G(d) (6D,7F) CCOc1cccc2c1nc(s2)N(CCC[NH+](C)C)C(=O)c3cc(nc4c3cccc4)c5cccs5 C01[X(C28H29N4O2S2)] 189 C1 606 CCOc1cccc2c1nc(s2)N(C(=O)c1cc(nc2c1cccc2)c1cccs1)CCC[NH+](C)C CCOc1cccc2c1nc(s2)N(C(=O)c1cc(nc2c1cccc2)c1cccs1)CCC[NH+](C)C CCOc1cccc2sc(nc12)N(CCC[NH+](C)C)C(=O)c3cc(nc4ccccc34)c5sccc5 InChIKey=JLLUVTYGXJRJKC-UHFFFAOYSA-O InChI=1S/C28H28N4O2S2/c1-4-34-23-12-7-13-25-26(23)30-28(36-25)32(16-9-15-31(2)3)27(33)20-18-22(24-14-8-17-35-24)29-21-11-6-5-10-19(20)21/h5-8,10-14,17-18H,4,9,15-16H2,1-3H3/p+1 InChI=1/C28H28N4O2S2/c1-4-34-23-12-7-13-25-26(23)30-28(36-25)32(16-9-15-31(2)3)27(33)20-18-22(24-14-8-17-35-24)29-21-11-6-5-10-19(20)21/h5-8,10-14,17-18H,4,9,15-16H2,1-3H3/p+1/fC28H29N4O2S2/h31H/q+1 CCOc1cccc2c1nc(s2)N(CCC[NH+](C)C)C(=O)c3cc(nc4c3cccc4)c5cccs5 C01[X(C28H29N4O2S2)] 189 C01 606 CCOc1cccc2c1nc(s2)N(C(=O)c1cc(nc2c1cccc2)c1cccs1)CCC[NH+](C)C CCO[C]1[CH][CH][CH][C]2[C]1N=C(S2)N(C(=O)[C]1=[CH][C]([N][C]2[C]1[CH][CH][CH]=[CH]2)C1=[CH][CH]=[CH]S1)CCC[NH](C)C CCO[C]1[CH][CH][CH][C]2SC(=N[C]12)N(CCC[NH](C)C)C(=O)C3=C[C]([N][C]4C=C[CH][CH][C]34)c5sccc5 InChIKey=GZVSWRZPXWBOGD-UHFFFAOYSA-N InChI=1S/C28H29N4O2S2/c1-4-34-23-12-7-13-25-26(23)30-28(36-25)32(16-9-15-31(2)3)27(33)20-18-22(24-14-8-17-35-24)29-21-11-6-5-10-19(20)21/h5-8,10-14,17-18,31H,4,9,15-16H2,1-3H3 InChI=1/C28H29N4O2S2/c1-4-34-23-12-7-13-25-26(23)30-28(36-25)32(16-9-15-31(2)3)27(33)20-18-22(24-14-8-17-35-24)29-21-11-6-5-10-19(20)21/h5-8,10-14,17-18,31H,4,9,15-16H2,1-3H3 4175.8231256846 -2239.5447292 1-A 22815.8892 136 470 606 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887.8056 892.4925 905.2797 926.2764 936.1023 941.9428 961.6075 986.5058 991.4922 998.5079 1010.9260 1023.4215 1032.2171 1047.1410 1068.7979 1075.6762 1084.4258 1096.0146 1100.6436 1102.3146 1118.8956 1126.4187 1130.2125 1131.3774 1133.7995 1153.0202 1175.5533 1180.5405 1186.8207 1199.7429 1215.4342 1239.3606 1242.2689 1256.7245 1265.2491 1280.9783 1290.5343 1299.5920 1313.5896 1322.2683 1334.6439 1363.1326 1371.6414 1373.0327 1383.1078 1396.1531 1396.8361 1419.1382 1432.8535 1434.3813 1439.9854 1453.2190 1460.7057 1463.8927 1488.8348 1498.7437 1519.9349 1544.9614 1548.1636 1554.5915 1575.1654 1579.9988 1583.1033 1590.5529 1594.6174 1598.3422 1600.6817 1601.0708 1618.5087 1624.5810 1629.1935 1632.8750 1639.7317 1644.2867 1645.4055 1647.7742 1649.2097 1652.8930 1658.3021 1660.0075 1673.5167 1681.5338 1744.6802 1747.8137 1768.5623 1781.4350 1796.1168 1811.8611 1816.9274 1977.9649 3212.6959 3217.8864 3254.9540 3258.3986 3262.6841 3268.1244 3274.2968 3284.9934 3292.9292 3310.5008 3315.4388 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31.97207 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 12835.1692 32781.9639 37468.9422 0.99997 -0.00078 0.00749 0.00089 0.99989 -0.01512 -0.00748 0.01512 0.99986 1 0.00675 0.00264 0.00231 0.14061 0.05505 0.04817 19.02 23.15 32.20 36.20 46.36 60.89 75.87 89.45 93.92 114.53 118.71 131.38 145.67 168.94 171.42 186.13 221.51 246.31 260.35 280.30 288.52 297.46 326.86 331.89 364.22 388.93 393.15 402.19 409.92 434.11 469.50 495.06 507.40 536.10 556.27 572.80 598.79 616.48 658.68 679.17 695.13 718.92 736.21 759.23 779.68 811.62 816.14 854.86 861.42 867.47 897.93 903.75 928.35 974.98 988.84 1011.02 1024.14 1079.57 1087.89 1094.61 1122.44 1156.05 1164.99 1187.34 1191.94 1220.23 1253.84 1255.69 1258.07 1267.31 1277.35 1284.10 1302.50 1332.71 1346.84 1355.25 1383.54 1419.36 1426.54 1436.63 1454.50 1472.48 1485.13 1506.60 1537.76 1547.66 1560.25 1576.92 1583.58 1585.98 1609.84 1620.67 1626.12 1627.80 1631.28 1658.94 1691.36 1698.53 1707.57 1726.16 1748.74 1783.16 1787.35 1808.15 1820.41 1843.04 1856.79 1869.82 1889.96 1902.45 1920.25 1961.24 1973.49 1975.49 1989.98 2008.75 2009.74 2041.82 2061.56 2063.75 2071.82 2090.86 2101.63 2106.22 2142.10 2156.36 2186.85 2222.85 2227.46 2236.71 2266.31 2273.27 2277.73 2288.45 2294.30 2299.66 2303.02 2303.58 2328.67 2337.41 2344.05 2349.34 2359.21 2365.76 2367.37 2370.78 2372.84 2378.14 2385.93 2388.38 2407.82 2419.35 2510.21 2514.71 2544.57 2563.09 2584.21 2606.86 2614.15 2845.85 4622.35 4629.82 4683.15 4688.11 4694.27 4702.10 4710.98 4726.37 4737.79 4763.07 4770.18 4800.91 4833.02 4837.23 4839.31 4840.40 4852.73 4858.70 4858.73 4865.56 4873.12 4887.78 4888.25 4898.34 4906.33 4912.67 4940.87 4961.90 5253.37 0.568846 0.600018 0.600963 0.501912 -2238.975883 -2238.944711 -2238.943767 -2239.042817 3.322153D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE CCOc1cccc2c1nc(s2)N(CCC[NH+](C)C)C(=O)c3cc(nc4c3cccc4)c5cccs5 C36643452 RHF 6-31G(d) (6D,10F) C1 517.173195 |X|Y|Z| 49.014650 70.447887 124.299624 75.431816 26 6 7 16 21 3 2 |36.858105| |12.577892|36.858105| |8.071464|13.511055|73.516695| |5.238601|8.001991|25.215120|36.858105| |4.400206|6.695319|13.994947|13.813115|36.858105| |3.330015|4.487615|9.200998|7.881125|13.595140|36.858105| |2.956374|3.754511|8.115989|6.725912|7.854841|13.874308|36.858105| |3.191752|3.973363|9.379490|7.884623|6.937834|8.078292|13.675336|36.858105| |4.072878|5.229297|14.489859|13.565085|7.985846|6.915403|7.835000|13.769202|36.858105| |3.928450|4.533344|12.116261|7.708120|5.161953|4.607467|5.226660|8.153982|13.754675|53.358707| |3.116266|3.494796|8.374076|5.398928|4.174189|4.080805|4.988087|7.838855|8.698799|20.427954|36.858105| |2.654481|3.068763|6.940474|4.865667|4.254951|4.711791|6.727547|10.895253|7.426362|10.038652|10.862210|388.023441| |2.795018|2.971169|6.740274|4.000983|3.229855|3.138878|3.663194|4.986776|5.422513|11.251498|13.582185|48.433227|53.358707| |3.055104|3.094314|6.940605|3.801410|3.019350|2.812966|3.106663|4.013706|4.717863|9.754993|7.869270|33.105131|17.717231|36.858105| |3.271396|3.217822|7.135469|3.734888|2.961738|2.701045|2.899292|3.637607|4.378302|8.498318|6.029523|28.041055|10.348261|12.343693|36.858105| |2.884492|2.725871|5.679163|2.932347|2.426875|2.228995|2.352473|2.817170|3.259440|5.709881|4.123899|21.555590|6.945098|7.479663|12.445787|36.858105| |2.649487|2.499264|5.067292|2.631951|2.232304|2.062539|2.158406|2.522797|2.858882|4.740180|3.423930|19.053239|5.431389|4.962813|7.564255|12.641362|53.358707| |2.473671|2.392752|4.889702|2.605725|2.226455|2.087472|2.213085|2.594295|2.882778|4.766944|3.557252|20.050091|5.713350|4.904840|7.216558|9.368967|25.636877|0.500000| |2.287085|2.137469|4.210745|2.198310|1.908872|1.779407|1.852231|2.119335|2.351871|3.776650|2.758745|16.010598|4.342011|3.846828|4.964484|7.693846|17.378628|0.260701|36.858105| |2.985365|2.759050|5.503401|2.782363|2.358472|2.138658|2.190819|2.527444|2.916601|4.685905|3.225323|18.261143|4.766047|4.185545|6.277119|7.611647|17.386353|0.258949|7.736552|36.858105| |2.328177|2.462364|5.344973|3.203622|2.732632|2.747005|3.238058|4.151963|4.130990|7.278765|7.849825|43.197723|18.821147|7.623955|5.538577|4.341191|4.915674|0.109344|3.015984|3.093717|36.858105| |2.156664|2.321205|4.981330|3.079794|2.710936|2.821276|3.428403|4.317042|3.977808|6.446661|6.893992|49.584268|11.496945|5.301045|4.250227|3.452047|4.115672|0.091744|2.584836|2.680030|15.992271|73.516695| |2.111192|2.168939|4.565212|2.641174|2.287345|2.270586|2.582086|3.143081|3.203703|5.452702|5.042828|29.153633|10.517705|6.637039|5.236350|4.697162|5.326155|0.119841|3.397102|3.155721|12.607091|14.419121|36.858105| |1.958408|1.994619|4.122470|2.367963|2.078382|2.064757|2.321548|2.759280|2.803951|4.632143|4.100252|24.759512|7.771486|5.410604|4.209546|4.037314|4.562749|0.098558|3.072572|2.739738|7.670281|10.703472|14.085917|36.858105| |1.783347|1.788698|3.620989|2.048910|1.819430|1.798030|1.984295|2.300473|2.353789|3.793084|3.193839|19.721714|5.637617|4.228315|3.616049|3.771060|4.430055|0.095026|3.162415|2.622754|5.011895|7.563057|7.920808|13.313164|36.858105| |1.742718|1.735431|3.492189|1.960719|1.744053|1.715898|1.878825|2.164348|2.228545|3.573839|2.955820|18.237476|5.123891|3.918394|3.625171|3.969108|4.901214|0.107427|3.616354|2.820968|4.438242|6.762378|6.849026|7.987855|14.672620|53.358707| |1.840827|1.840298|3.735862|2.101135|1.857333|1.824965|2.005728|2.330653|2.407072|3.898876|3.247823|19.773318|5.703797|4.294076|4.198208|4.562734|5.863786|0.136651|4.168449|3.269064|5.002121|7.483566|7.907650|7.001156|8.317531|19.204963|36.858105| |2.030549|2.061446|4.280201|2.440519|2.128637|2.098883|2.346708|2.797601|2.880974|4.797520|4.178423|24.684478|7.828537|5.474718|5.215902|5.072854|6.257256|0.150886|4.013996|3.536798|7.473309|10.341333|13.346766|7.934383|6.901496|10.702317|13.543789|36.858105| |2.093513|2.140060|4.455876|2.551526|2.228277|2.197379|2.454405|2.920400|3.006011|4.938494|4.226921|25.354024|7.312805|4.959439|5.352866|4.962733|6.777940|0.178625|4.115221|3.950643|6.364694|9.589913|7.567643|5.112863|4.561728|7.014157|7.809962|13.413346|36.858105| |1.949518|1.968078|4.005466|2.262957|2.006126|1.969433|2.156252|2.493051|2.576504|4.091268|3.326990|20.620131|5.374047|3.863386|4.405037|4.464129|6.884615|0.189809|4.432499|4.051048|4.373196|6.975393|5.082581|3.955188|3.845898|6.247256|6.799898|7.880269|13.967862|36.858105| |1.783035|1.775284|3.553479|1.985968|1.774875|1.737718|1.881999|2.144964|2.221773|3.493529|2.797129|17.476212|4.518272|3.381835|3.753870|4.131129|6.424724|0.165143|4.690612|3.684020|3.664722|5.854775|4.512369|3.823015|4.050141|7.156721|7.885523|6.811872|7.900730|13.428572|36.858105| |1.740100|1.726542|3.455284|1.928757|1.720964|1.685901|1.829917|2.091267|2.165185|3.431901|2.773349|17.215179|4.607145|3.507201|3.686997|4.165391|5.960602|0.142475|4.528430|3.340214|3.821530|5.991626|5.124885|4.599003|5.334547|10.916309|13.402918|7.816289|6.823134|7.897966|14.005036|36.858105| |1.640646|1.638449|3.266838|1.843535|1.657049|1.639815|1.793043|2.041730|2.081412|3.275732|2.694386|17.091311|4.511204|3.414519|2.944347|3.091563|3.679626|0.076998|2.698215|2.248962|3.805178|6.043937|5.077057|7.550071|12.956471|10.951631|5.257085|4.503255|3.374963|2.989030|3.183982|4.020995|36.858105| |1.497874|1.486117|2.923902|1.641197|1.488817|1.471772|1.593348|1.788219|1.823651|2.824082|2.277868|14.656121|3.696881|2.820057|2.539302|2.726476|3.357439|0.069943|2.543273|2.072683|3.041494|4.943652|3.873944|5.023642|7.568187|9.037706|4.518414|3.712938|2.932960|2.717510|2.992848|3.789000|14.070752|36.858105| |1.406812|1.395189|2.720012|1.527214|1.396927|1.383275|1.489461|1.653590|1.680909|2.565944|2.047537|13.372333|3.238079|2.461615|2.211685|2.345955|2.894105|0.059627|2.188246|1.830663|2.608774|4.321242|3.136446|3.946140|5.092553|6.064655|3.387966|2.949802|2.427299|2.262280|2.444596|2.952151|8.201283|13.338385|36.858105| |1.451643|1.446490|2.826444|1.593747|1.458232|1.447338|1.562803|1.736622|1.759723|2.681916|2.146814|14.080064|3.379799|2.550674|2.232025|2.317201|2.806660|0.057575|2.079712|1.792368|2.709237|4.506694|3.172394|4.081177|4.856299|5.409308|3.128576|2.855369|2.354662|2.152818|2.264260|2.673782|7.695115|8.256111|14.139699|36.858105| |1.634290|1.641340|3.261543|1.851223|1.674025|1.663499|1.819191|2.058741|2.084828|3.238166|2.651682|17.125730|4.306796|3.215014|2.681898|2.719904|3.193540|0.065848|2.300622|2.015784|3.527106|5.751352|4.216068|6.011597|6.737668|6.501557|3.723722|3.527071|2.800134|2.465129|2.530753|2.998219|10.944719|7.452206|7.461289|11.084198|388.023441| |17.565204|8.861969|12.922798|4.865295|4.016357|3.123910|2.837420|3.109929|3.967856|5.402865|3.158841|18.800925|3.915870|3.190459|3.589070|3.180236|4.052614|0.076489|2.532308|3.487242|2.393384|3.909365|2.187807|2.007079|1.836015|2.469083|1.936695|2.138332|2.233170|2.096971|1.909770|1.846197|1.674215|1.531298|1.427584|1.461981|11.694026|0.500000| |17.576404|8.863660|12.937227|4.899254|4.023512|3.135720|2.856697|3.141527|4.017189|5.492007|3.206118|19.010202|3.979031|3.279977|3.425268|3.044492|3.693071|0.069634|2.355424|2.983796|2.413333|3.930733|2.200232|2.063074|1.876534|2.476646|1.903897|2.092254|2.120252|1.959522|1.805801|1.783603|1.734624|1.577922|1.485752|1.540858|12.381573|0.300449|0.500000| |17.564396|8.879921|10.241941|4.244541|3.845719|2.998983|2.639112|2.769195|3.377141|4.388663|2.655007|16.570655|3.282823|2.608795|2.775972|2.518033|3.206370|0.061271|2.079183|2.650597|2.055969|3.418837|1.885790|1.765411|1.624478|2.166602|1.672419|1.823761|1.877697|1.767907|1.631855|1.593182|1.508262|1.388510|1.312161|1.352049|10.709574|0.300747|0.300596|0.500000| |8.850355|17.555019|16.515741|7.069288|6.775909|4.578545|3.717063|3.786221|4.740814|5.481473|3.207865|20.722728|3.719706|2.792004|2.955893|2.527176|3.240613|0.063956|2.043231|2.663572|2.310447|3.920432|2.041274|1.867381|1.683921|2.240906|1.756399|1.964747|2.068581|1.922731|1.728160|1.664256|1.540595|1.405062|1.317993|1.359615|10.902864|0.212326|0.173422|0.212576|0.500000| |8.849513|17.561395|16.528157|7.169691|6.809228|4.615380|3.759771|3.842096|4.822751|5.571226|3.255819|20.996001|3.772030|2.850027|2.861272|2.456648|3.047096|0.059772|1.946483|2.417589|2.327527|3.940693|2.050677|1.911566|1.714489|2.245948|1.731389|1.928304|1.977437|1.814816|1.649701|1.617636|1.586785|1.440422|1.362975|1.421930|11.449752|0.173391|0.212179|0.212586|0.300967|0.500000| |4.678653|7.423702|12.495730|8.923446|17.772065|8.930487|5.640301|4.990644|5.653707|5.646550|3.426636|24.414435|3.781841|2.667466|2.659263|2.238162|2.834853|0.057278|1.802381|2.226729|2.387481|4.191739|2.048140|1.880300|1.669566|2.189593|1.705636|1.927067|2.014277|1.841009|1.645871|1.595331|1.533340|1.389406|1.310112|1.364481|11.018654|0.115203|0.114722|0.118093|0.228316|0.224720|0.500000| |2.982028|3.906254|7.446568|5.642849|8.924930|17.726609|8.982826|5.701436|4.975049|4.977562|3.335870|27.417840|3.645320|2.428451|2.347296|1.982977|2.526346|0.052176|1.622847|1.927603|2.403171|4.417851|2.026706|1.862347|1.640725|2.137534|1.662258|1.888547|1.974395|1.791929|1.594873|1.547242|1.509517|1.365331|1.290511|1.348860|10.913987|0.077550|0.077694|0.076802|0.113669|0.114127|0.218008|0.500000| |2.535729|3.108972|6.455389|4.877134|5.597927|8.906039|17.743152|8.824349|5.592728|5.768352|4.303117|44.069656|4.519900|2.792341|2.595133|2.148093|2.706494|0.057015|1.727327|2.000122|3.068642|5.960275|2.468427|2.236685|1.918905|2.469825|1.929608|2.245061|2.341952|2.066262|1.811039|1.763410|1.743311|1.553963|1.457506|1.530267|12.615982|0.068006|0.068437|0.063979|0.086229|0.087094|0.124068|0.214792|0.500000| |2.676772|2.669725|5.745524|3.150082|2.596934|2.455492|2.700809|3.361780|3.771370|7.031070|5.799503|28.135043|12.577862|17.691124|8.761721|7.435636|6.613723|0.133045|3.997752|3.877494|7.382611|9.028614|7.919890|6.948179|5.340142|6.506584|5.037060|6.190095|5.005542|3.914001|3.577396|3.903352|4.168690|3.331610|2.846709|2.947320|27.206932|0.077243|0.080198|0.064832|0.067458|0.069369|0.064754|0.059964|0.068917|0.500000| |3.429428|3.460278|7.883452|4.207649|3.263548|2.972561|3.226209|4.166455|5.130312|10.704341|7.491955|32.156398|12.572480|17.682905|8.800870|6.105629|5.763689|0.112270|3.408021|3.796641|5.843887|7.987997|5.035741|4.508265|3.642757|4.533923|3.509105|4.207938|3.879628|3.180568|2.850929|2.954671|3.109148|2.602548|2.332606|2.454884|21.796754|0.097288|0.105554|0.080153|0.084156|0.089281|0.080087|0.070829|0.079310|0.304210|0.500000| |3.994109|3.871396|8.842686|4.364271|3.334682|2.933399|3.068884|3.843789|4.923799|9.531821|5.847941|27.508942|8.514981|8.833310|17.634565|8.767887|8.723941|0.162292|4.393066|6.422719|4.539487|6.584735|4.122016|3.468026|3.026095|4.099686|3.393734|4.052405|4.252894|3.679336|3.175969|3.078424|2.558008|2.242334|1.993381|2.023872|17.017262|0.125094|0.115770|0.091199|0.097298|0.092674|0.083379|0.070187|0.074743|0.177367|0.229262|0.500000| |2.998322|3.029193|6.685282|3.641004|2.942401|2.738233|2.985473|3.749893|4.350369|8.130636|6.167219|29.779142|10.369186|8.890130|17.594054|8.893368|10.071124|0.230859|4.788848|6.234318|5.982616|8.294073|5.514504|4.160751|3.561192|4.975392|4.457733|5.891301|6.867476|5.421659|4.257516|3.979828|2.850242|2.471624|2.138357|2.140430|18.183656|0.091591|0.084731|0.071578|0.079400|0.074783|0.072919|0.066175|0.074847|0.191958|0.179083|0.304328|0.500000| |2.526810|2.420386|4.996008|2.644670|2.228126|2.083925|2.224220|2.649466|2.974218|5.141721|3.905040|20.929086|6.919533|7.211329|8.787097|17.643177|12.516312|0.226373|7.405860|5.625061|4.632776|6.428293|5.535177|4.857916|4.684540|6.859583|5.773280|6.113589|5.383285|4.752512|4.620618|5.001628|3.700751|3.215734|2.691016|2.629770|22.220794|0.075710|0.074339|0.062140|0.062522|0.061724|0.057031|0.051819|0.057158|0.238048|0.157983|0.173694|0.200611|0.500000| |3.069294|2.802699|5.720430|2.869655|2.378035|2.154893|2.235896|2.641182|3.092435|5.291123|3.679226|19.606946|5.894905|6.281450|8.696968|17.607657|12.386209|0.182212|7.027569|7.009747|3.663926|5.330131|3.884890|3.533622|3.361424|4.719547|3.773752|4.019750|3.875582|3.582800|3.424972|3.500174|2.882477|2.579726|2.265942|2.251251|18.511302|0.094205|0.091908|0.074506|0.071290|0.070255|0.061683|0.053492|0.056533|0.174659|0.161900|0.217612|0.174541|0.301646|0.500000| |2.361432|2.161898|4.203855|2.161111|1.876678|1.734538|1.787685|2.034141|2.276902|3.631599|2.604542|15.122076|4.037240|3.641237|4.569744|7.016444|12.324394|0.181493|17.645095|6.985228|2.757105|4.222366|3.052692|2.839577|2.922295|4.415381|3.558879|3.435012|3.429425|3.568284|3.737679|3.729595|2.568237|2.436621|2.133599|2.040152|15.905278|0.072673|0.068260|0.059898|0.057008|0.054790|0.049591|0.044039|0.046169|0.105150|0.092987|0.117410|0.116450|0.181786|0.211551|0.500000| |2.143569|2.011330|3.915954|2.056308|1.808528|1.693235|1.755687|1.984799|2.180435|3.426082|2.501924|14.894810|3.844786|3.263312|4.129263|5.595326|12.307610|0.223042|17.648915|7.188473|2.709479|4.226803|3.007099|2.716710|2.803281|4.385337|3.735219|3.584867|3.824363|4.361829|4.688294|4.269573|2.421046|2.316534|2.009549|1.901159|14.751565|0.066125|0.060482|0.054679|0.054102|0.050870|0.047693|0.043172|0.045705|0.092524|0.081211|0.104862|0.115794|0.148567|0.143539|0.299202|0.500000| |2.109594|1.997350|3.950901|2.094187|1.827788|1.722855|1.810854|2.074769|2.269857|3.655981|2.738775|16.006367|4.423815|3.883391|4.696080|7.098555|12.320684|0.226610|17.662160|5.625398|3.172495|4.801731|3.752381|3.447131|3.686896|5.993910|5.092190|4.567489|4.436511|4.779127|5.456689|5.668952|3.096796|2.932952|2.464497|2.306312|18.136925|0.063817|0.060714|0.053396|0.052897|0.051078|0.047733|0.043706|0.047241|0.117412|0.093993|0.111089|0.126686|0.227897|0.173080|0.298547|0.299674|0.500000| |3.329925|3.135485|6.416128|3.229833|2.687766|2.412666|2.470404|2.884546|3.395516|5.493502|3.685105|20.513439|5.275247|4.531962|7.131671|6.968783|12.273230|0.223375|5.616137|17.680128|3.323935|5.135813|3.246565|2.762253|2.571397|3.694746|3.157889|3.562932|4.090666|4.040521|3.491981|3.145779|2.195573|2.001021|1.774658|1.754787|14.180321|0.109889|0.090787|0.080522|0.084536|0.074849|0.069850|0.059758|0.061922|0.110727|0.114290|0.221572|0.207703|0.142904|0.172344|0.142384|0.146159|0.126201|0.500000| |2.659291|2.479111|4.843144|2.489118|2.160064|1.980628|2.024018|2.294281|2.588475|4.033958|2.821059|16.586334|4.120035|3.455874|4.770229|5.566761|12.322193|0.222226|7.194318|17.649118|2.764179|4.353750|2.842074|2.486262|2.418320|3.589858|3.065965|3.244385|3.697316|4.010187|3.709241|3.257488|2.090609|1.954643|1.730311|1.680984|13.262475|0.085594|0.072853|0.066940|0.067681|0.060828|0.057091|0.050117|0.051845|0.090652|0.087485|0.133142|0.138460|0.127007|0.143375|0.174650|0.222651|0.146450|0.299823|0.500000| |3.196823|2.843407|5.549852|2.732557|2.316732|2.075431|2.097959|2.400501|2.798479|4.450323|3.000610|17.042144|4.382586|3.934054|5.572126|6.954764|12.344784|0.181001|7.001128|17.640464|2.817654|4.356247|2.868475|2.563091|2.469734|3.564695|2.934587|3.112804|3.329498|3.354365|3.151578|2.961286|2.162108|2.003564|1.789989|1.759747|13.974952|0.104962|0.089873|0.079122|0.075398|0.069170|0.061459|0.052140|0.053051|0.102202|0.103516|0.167444|0.141654|0.144151|0.211022|0.208319|0.174939|0.142663|0.299266|0.299211|0.500000| |1.959569|2.010377|4.154056|2.407347|2.122424|2.121367|2.397472|2.845298|2.860350|4.670066|4.153226|25.690783|7.562306|5.116049|3.822314|3.569937|4.017255|0.085138|2.704958|2.490887|7.103237|10.589865|9.032182|17.745401|8.748447|7.758960|5.021472|5.630722|4.126489|3.289042|3.153377|3.653181|6.943137|4.654315|3.918577|4.324350|49.484386|0.055095|0.057696|0.049118|0.051971|0.054116|0.053207|0.053154|0.064386|0.175631|0.125989|0.090574|0.102860|0.114500|0.089737|0.070917|0.066899|0.082428|0.070392|0.062746|0.065701|0.500000| |2.219234|2.312200|4.894913|2.860636|2.485675|2.470510|2.806117|3.400602|3.456544|5.691500|5.025695|30.338110|8.371224|5.163401|5.532292|4.618687|6.177393|0.157068|3.630248|3.854801|7.173767|11.253883|6.886257|4.645100|3.935604|5.667798|5.586432|8.805092|17.715496|9.004456|5.623409|4.927771|3.024397|2.620212|2.222794|2.195053|18.644706|0.065681|0.061911|0.054936|0.062362|0.059095|0.061609|0.061068|0.074125|0.134845|0.112748|0.125638|0.210529|0.130915|0.102117|0.086415|0.094509|0.104237|0.116526|0.099440|0.090372|0.109726|0.500000| |1.940933|1.967972|3.980466|2.254743|2.016087|1.982003|2.157641|2.465260|2.538595|3.941415|3.145661|19.955858|4.836904|3.438720|4.004092|3.954941|6.327721|0.171311|4.041487|4.028379|3.812479|6.297544|4.114036|3.292727|3.170225|4.963748|4.915488|5.611565|8.991453|17.712501|8.805308|5.640772|2.561247|2.357872|2.007155|1.921699|15.458470|0.058320|0.053545|0.049066|0.054046|0.050174|0.051570|0.050288|0.057509|0.093777|0.080658|0.096972|0.138363|0.111182|0.090528|0.091771|0.115302|0.114966|0.113930|0.114987|0.091578|0.078771|0.217001|0.500000| |1.680524|1.665530|3.291047|1.832097|1.653007|1.617151|1.735051|1.949879|2.018098|3.116918|2.451948|15.573040|3.842197|2.888089|3.230890|3.580401|5.765233|0.142857|4.428997|3.469609|3.048744|4.978312|3.596506|3.159483|3.371519|5.777310|5.614107|4.920451|5.641989|8.817836|17.717616|9.007323|2.780512|2.687170|2.239564|2.063872|16.020382|0.050104|0.047042|0.043056|0.045327|0.043016|0.042917|0.041520|0.046502|0.083804|0.069368|0.078395|0.100197|0.107810|0.085244|0.099101|0.131011|0.138945|0.090148|0.100847|0.083138|0.074596|0.124084|0.213393|0.500000| |1.618288|1.595928|3.156426|1.754631|1.577804|1.545040|1.664689|1.880595|1.945250|3.042997|2.426981|15.264098|3.949364|3.037537|3.159277|3.625585|5.189290|0.118088|4.188205|2.990443|3.221379|5.141529|4.186283|4.028016|4.934383|10.110992|8.890504|5.609999|4.928539|5.604997|8.940785|17.740889|3.997392|4.002554|3.099675|2.724970|20.927427|0.047531|0.046175|0.041459|0.042748|0.041745|0.040910|0.039638|0.044700|0.094236|0.073070|0.075119|0.092082|0.119756|0.088101|0.098739|0.111551|0.147314|0.077273|0.081963|0.075414|0.091633|0.107149|0.123621|0.214737|0.500000| |1.461024|1.445041|2.834700|1.586432|1.440892|1.422259|1.534930|1.717981|1.755343|2.712873|2.176672|14.004446|3.518493|2.692711|2.498462|2.730309|3.450056|0.072366|2.668946|2.115567|2.888877|4.702454|3.700947|4.514467|6.777207|9.764303|4.850306|3.764440|3.010013|2.868509|3.274723|4.269696|8.934776|17.775825|8.598613|5.738646|37.718917|0.041743|0.042532|0.037689|0.038137|0.038727|0.037443|0.036709|0.041577|0.087367|0.068384|0.061177|0.068279|0.089716|0.071301|0.070327|0.068134|0.086861|0.056228|0.055970|0.056501|0.111694|0.073421|0.068794|0.082352|0.131969|0.500000| 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