Version2.0 2020-01-23T06:32:54Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 19-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1CCCN(C1)S(=O)(=O)c2ccc(cc2)C(=O)N(CCC[NH+](C)C)c3nc4ccc(cc4s3)OC C36643225 RHF 6-31G(d) (6D,7F) C[C@@H]1CCCN(C1)S(=O)(=O)c2ccc(cc2)C(=O)N(CCC[NH+](C)C)c3nc4ccc(cc4s3)OC C01[X(C26H35N4O4S2)] 207 C1 618 COc1ccc2c(c1)sc(n2)N(C(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C)CCC[NH+](C)C COc1ccc2c(c1)sc(n2)N(C(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C)CCC[NH+](C)C COc1ccc2nc(sc2c1)N(CCC[NH+](C)C)C(=O)c3ccc(cc3)[S](=O)(=O)N4CCC[C@@H](C)C4 InChIKey=PRFHLDXRTLSVNA-LJQANCHMSA-O InChI=1S/C26H34N4O4S2/c1-19-7-5-15-29(18-19)36(32,33)22-11-8-20(9-12-22)25(31)30(16-6-14-28(2)3)26-27-23-13-10-21(34-4)17-24(23)35-26/h8-13,17,19H,5-7,14-16,18H2,1-4H3/p+1/t19-/m1/s1 InChI=1/C26H34N4O4S2/c1-19-7-5-15-29(18-19)36(32,33)22-11-8-20(9-12-22)25(31)30(16-6-14-28(2)3)26-27-23-13-10-21(34-4)17-24(23)35-26/h8-13,17,19H,5-7,14-16,18H2,1-4H3/p+1/t19-/m1/s1/fC26H35N4O4S2/h28H/q+1 C[C@@H]1CCCN(C1)S(=O)(=O)c2ccc(cc2)C(=O)N(CCC[NH+](C)C)c3nc4ccc(cc4s3)OC C01[X(C26H35N4O4S2)] 207 C01 618 COc1ccc2c(c1)sc(n2)N(C(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C)CCC[NH+](C)C COc1ccc2c(c1)sc(n2)N(C(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C)CCC[NH](C)C COc1ccc2nc(sc2c1)N(CCC[NH](C)C)C(=O)c3ccc(cc3)[S](=O)(=O)N4CCC[C@@H](C)C4 InChIKey=CAICUSBARVNJPY-LJQANCHMSA-N InChI=1S/C26H35N4O4S2/c1-19-7-5-15-29(18-19)36(32,33)22-11-8-20(9-12-22)25(31)30(16-6-14-28(2)3)26-27-23-13-10-21(34-4)17-24(23)35-26/h8-13,17,19,28H,5-7,14-16,18H2,1-4H3/t19-/m1/s1 InChI=1/C26H35N4O4S2/c1-19-7-5-15-29(18-19)36(32,33)22-11-8-20(9-12-22)25(31)30(16-6-14-28(2)3)26-27-23-13-10-21(34-4)17-24(23)35-26/h8-13,17,19,28H,5-7,14-16,18H2,1-4H3/t19-/m1/s1 4256.0017714532 -2316.9455862 1-A 32278.2313 141 477 618 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31.97207 15.99491 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 9486.9164 51368.7991 56033.3085 0.99995 -0.00482 0.00884 0.00488 0.99997 -0.00658 -0.00881 0.00662 0.99994 1 0.00913 0.00169 0.00155 0.19023 0.03513 0.03221 12.72 18.01 27.89 34.65 39.08 53.17 55.08 65.55 78.30 79.98 103.14 130.10 136.26 156.79 193.25 203.48 209.67 230.17 248.44 251.25 290.91 302.53 324.05 327.50 350.75 362.07 369.99 378.44 394.56 406.93 430.78 446.51 460.32 468.15 479.79 492.75 520.82 549.24 564.87 611.23 613.33 651.23 655.67 659.31 670.79 675.90 705.79 707.93 719.83 729.54 770.26 780.00 789.17 813.06 847.83 886.54 910.60 957.42 976.06 991.04 1004.51 1022.39 1051.64 1098.97 1133.77 1157.67 1164.06 1178.77 1189.70 1232.86 1239.28 1252.59 1292.52 1324.44 1328.82 1354.06 1382.10 1385.79 1398.59 1406.08 1413.16 1421.58 1447.09 1452.90 1474.49 1522.96 1526.77 1541.95 1560.91 1568.75 1581.81 1588.20 1605.96 1613.81 1633.66 1643.29 1659.48 1660.41 1666.84 1702.62 1713.81 1724.40 1729.35 1749.52 1773.93 1786.24 1806.60 1826.78 1841.82 1844.43 1858.34 1860.09 1861.14 1878.04 1883.65 1884.51 1902.56 1920.92 1957.88 1963.31 1978.62 2010.75 2038.88 2051.01 2054.01 2058.28 2077.70 2086.76 2091.43 2096.08 2098.78 2105.81 2126.03 2139.40 2193.79 2205.13 2207.71 2216.96 2230.99 2234.57 2255.02 2262.56 2266.16 2272.88 2274.86 2278.78 2290.44 2325.23 2331.25 2338.59 2343.64 2355.34 2359.11 2362.78 2363.32 2363.60 2367.44 2373.26 2376.33 2376.59 2382.38 2386.02 2391.08 2392.54 2397.87 2412.71 2494.58 2537.48 2538.08 2608.02 2611.71 2844.57 4583.59 4595.21 4600.18 4601.45 4620.54 4622.46 4623.10 4629.85 4669.90 4682.22 4689.42 4694.35 4707.32 4708.08 4712.14 4714.23 4716.32 4717.30 4776.17 4810.85 4824.49 4833.66 4838.47 4838.64 4840.43 4845.85 4850.08 4866.62 4881.19 4892.88 4895.63 4911.62 4916.44 4923.70 5316.53 0.640980 0.674350 0.675294 0.570325 -2316.304606 -2316.271236 -2316.270292 -2316.375261 3.520678D-04 MUNgauss RevisionA2.0 retrievium 23-Jan-2020 DUDE C[C@@H]1CCCN(C1)S(=O)(=O)c2ccc(cc2)C(=O)N(CCC[NH+](C)C)c3nc4ccc(cc4s3)OC C36643225 RHF 6-31G(d) (6D,10F) C1 531.209974 |X|Y|Z| 64.120613 39.204770 163.185265 74.302913 24 6 7 16 19 3 2 |36.858105| |12.460952|36.858105| |8.895193|17.504516|0.500000| |7.508817|12.438602|0.247600|36.858105| |4.898568|7.549982|0.191445|12.465664|36.858105| |4.380771|6.473144|0.160104|7.549950|12.504032|36.858105| |4.999870|7.743608|0.196857|6.621630|7.802618|12.894898|53.358707| |7.581913|12.455111|0.249088|7.591958|6.548182|7.712938|17.651088|36.858105| |3.717661|4.821705|0.129162|4.229314|4.823445|7.178281|15.787663|7.241164|388.023441| |3.601332|4.300373|0.109792|3.747062|3.950964|5.461055|10.201274|6.540229|94.492692|73.516695| |3.041665|3.862109|0.105807|3.700165|4.543764|6.742264|10.465498|5.010630|94.858521|13.679577|73.516695| |3.516471|4.344643|0.127420|3.583246|3.873708|4.791076|9.694931|5.792478|76.077569|13.132848|12.993600|36.858105| |3.158514|3.615760|0.103736|2.988785|3.094260|3.684296|6.816418|4.668036|49.653634|11.816859|9.368167|13.772552|36.858105| |2.814648|3.114704|0.091834|2.600292|2.661607|3.011387|5.248909|3.712271|33.693128|7.971978|7.083144|7.973781|13.747800|36.858105| |2.742006|3.067342|0.094005|2.583110|2.671389|2.926793|4.987762|3.467047|29.847542|6.607168|6.597782|6.902794|7.926383|13.739290|36.858105| |2.956532|3.465209|0.110078|2.933811|3.124514|3.398829|5.836976|3.851122|33.567872|6.817463|7.584117|7.965521|6.853419|7.919218|13.694947|36.858105| |3.368228|4.207501|0.132952|3.534672|3.904550|4.475004|8.289087|4.959978|49.194200|8.780488|10.609625|13.728316|7.899605|6.863658|7.934435|13.792213|36.858105| |2.346986|2.544642|0.077689|2.193884|2.248371|2.397293|3.894741|2.761864|22.448111|5.135396|5.165659|4.473763|5.022047|7.537399|12.686100|7.695393|5.074428|36.858105| |2.119653|2.312086|0.070588|2.042947|2.124906|2.250483|3.558396|2.474540|20.388521|4.610623|4.876482|3.874984|4.118219|5.504741|8.149923|6.602541|4.526105|15.991494|73.516695| |2.270944|2.381759|0.071869|2.043046|2.045476|2.157608|3.477601|2.556828|19.660790|4.671656|4.458529|3.712473|4.298457|6.175980|7.639725|5.260140|3.955785|13.681574|15.044450|53.358707| |2.534427|2.587049|0.077679|2.166061|2.113619|2.216278|3.619689|2.770129|20.033666|4.870958|4.396760|3.727655|4.382806|5.983000|6.442127|4.726155|3.815081|7.597719|9.493752|17.739988|36.858105| |2.373814|2.379487|0.069313|2.009821|1.949661|2.069789|3.354010|2.596245|18.919618|4.807410|4.141224|3.369270|4.145286|5.373186|4.922196|3.728167|3.238161|5.301343|7.275105|10.316272|12.316782|36.858105| |2.229412|2.172307|0.062866|1.851952|1.771362|1.848769|2.934670|2.308680|16.089127|4.113853|3.555401|2.727506|3.187608|3.799173|3.615051|2.967192|2.649010|3.900970|5.757694|7.130707|7.562609|12.508440|36.858105| |2.026777|1.962301|0.055785|1.697294|1.623894|1.704890|2.672092|2.100723|14.770058|3.861789|3.288463|2.420455|2.833579|3.241294|2.984502|2.503976|2.302118|3.135853|4.796274|5.327257|4.902285|7.523452|12.605926|53.358707| |2.131615|2.058477|0.057940|1.771787|1.690231|1.789865|2.822540|2.235625|15.726715|4.187481|3.465497|2.559025|3.044455|3.415091|3.034037|2.544677|2.380584|3.073490|4.670224|5.051616|4.645489|7.206902|9.277975|25.708277|0.500000| |1.789735|1.760769|0.050075|1.547274|1.501459|1.584202|2.457387|1.891559|13.776768|3.589122|3.125187|2.248869|2.632966|3.036084|2.811647|2.350921|2.148703|3.035562|4.761127|5.115400|4.256569|6.131465|7.597705|17.332957|0.259728|36.858105| |1.924246|1.830340|0.051815|1.596216|1.513072|1.568936|2.425067|1.922938|13.140178|3.430396|2.942745|2.099948|2.383473|2.641733|2.487168|2.162917|2.015169|2.595854|4.071028|4.265419|3.818907|4.967869|7.694784|17.362915|0.260302|7.743642|36.858105| |1.965810|2.038468|0.061011|1.785267|1.788077|1.868440|2.933680|2.154731|16.425401|3.938963|3.810493|2.938519|3.309793|4.348821|5.034546|3.933710|3.117789|7.848665|12.382192|18.555069|7.897853|6.090871|4.914773|5.184835|0.096422|3.880608|3.112104|36.858105| |1.880889|1.912420|0.056721|1.677263|1.659150|1.722833|2.685090|2.006050|14.860645|3.626771|3.430443|2.579443|2.904491|3.653926|3.967778|3.225378|2.676779|5.318575|8.458844|11.218420|7.149940|6.392626|5.908520|6.100206|0.107543|4.641161|3.659917|14.940397|53.358707| |1.658670|1.685504|0.049758|1.502534|1.493041|1.543637|2.365583|1.755142|13.048579|3.185599|3.062383|2.206358|2.437390|2.955499|3.189391|2.708754|2.294621|4.120603|7.116802|7.362058|4.701989|4.455696|4.401000|5.062118|0.089736|4.071499|3.216605|8.656034|18.636366|36.858105| |1.539078|1.545875|0.045302|1.386465|1.368971|1.408419|2.138965|1.599401|11.702867|2.883992|2.749123|1.933785|2.121655|2.495715|2.627599|2.287025|1.989926|3.200162|5.516851|5.439546|3.783034|3.791189|4.071733|4.969903|0.086514|4.082950|3.328722|5.400329|10.478025|13.755214|36.858105| |1.390133|1.399849|0.040915|1.269869|1.259734|1.293211|1.942604|1.443203|10.613757|2.611393|2.521545|1.728437|1.873711|2.164688|2.278822|2.026284|1.782505|2.727308|4.845472|4.382801|3.003467|2.995036|3.153556|4.005098|0.071728|3.303095|2.758258|4.158268|6.989588|7.956772|13.778784|36.858105| |1.342143|1.365012|0.039991|1.246294|1.247386|1.282160|1.917269|1.408596|10.516763|2.567757|2.525183|1.712927|1.842882|2.127883|2.268406|2.034402|1.781762|2.742548|5.041936|4.255321|2.797886|2.723847|2.745050|3.469286|0.063676|2.837111|2.358942|4.055563|6.226081|6.854946|7.893285|13.626232|36.858105| |1.418489|1.457576|0.042937|1.328051|1.338630|1.381105|2.074345|1.510652|11.454368|2.771863|2.760151|1.892504|2.036783|2.389308|2.598609|2.312825|1.989462|3.254405|6.170156|4.998631|3.109060|2.935671|2.833896|3.493342|0.064814|2.826746|2.314006|4.995296|7.122965|7.856254|6.809478|7.885651|13.723000|36.858105| |1.577763|1.624267|0.048079|1.462669|1.471188|1.523303|2.317574|1.692230|12.852472|3.103482|3.064680|2.171005|2.366810|2.858449|3.154461|2.723221|2.289340|4.163074|7.764721|6.787352|4.007975|3.681444|3.455367|4.091491|0.075275|3.282224|2.628516|7.815547|11.058961|13.691922|7.960275|6.931816|8.011966|13.802302|36.858105| |1.731546|1.816668|0.054301|1.628279|1.657534|1.728898|2.657119|1.909127|14.914574|3.535604|3.570804|2.601445|2.832553|3.545667|4.149297|3.498936|2.809942|6.130350|12.667714|9.289651|4.662378|3.960576|3.412618|3.933281|0.074583|3.047232|2.470890|10.832494|10.010138|7.401992|4.887779|4.251387|4.691545|6.752706|10.893406|388.023441| |1.229056|1.250483|0.036521|1.151683|1.155581|1.185324|1.756680|1.286577|9.612292|2.347480|2.325733|1.544415|1.646641|1.870190|1.983348|1.809067|1.604907|2.341408|4.343402|3.519678|2.341163|2.289335|2.307399|2.972169|0.055314|2.415596|2.054628|3.190473|4.712772|4.624166|5.195941|7.864463|14.189567|8.245794|5.331901|26.401019|73.516695| |1.159721|1.171804|0.034077|1.082255|1.080902|1.105453|1.631437|1.201439|8.881063|2.181099|2.145279|1.411387|1.501690|1.685224|1.767276|1.622557|1.457241|2.042006|3.731833|3.068554|2.100644|2.084861|2.148068|2.819107|0.052433|2.286884|1.994141|2.698971|4.046134|3.792575|4.511671|6.705506|7.992830|5.264654|4.002966|21.132833|24.144622|36.858105| |17.538784|8.768176|0.173230|6.782238|4.532664|4.207598|6.272603|6.843011|25.213993|6.388038|5.196943|3.219281|2.949095|2.603070|2.486277|2.635033|2.999045|2.142946|3.456146|2.837796|2.317402|2.223323|2.102225|2.651988|0.057352|1.726935|1.860175|1.822004|2.387516|1.557032|1.454091|1.318643|1.272152|1.338645|1.481027|11.472537|2.078592|1.107368|0.500000| |17.528965|8.755891|0.212797|5.462883|4.059748|3.838649|6.283865|6.900640|26.042418|6.426724|5.239289|3.666837|3.402951|3.077825|2.975097|3.133285|3.484230|2.544558|4.016746|3.405193|2.870364|2.689463|2.533403|3.100304|0.066787|1.976367|2.157919|2.143916|2.806878|1.797463|1.665465|1.490747|1.429403|1.509330|1.691667|13.173928|2.312582|1.226643|0.301332|0.500000| |17.559623|8.796733|0.212689|6.854614|4.522742|3.823151|5.617576|5.503178|22.447156|5.361751|4.776960|3.042284|2.746692|2.513727|2.502509|2.710891|3.014741|2.191834|3.559687|2.899585|2.362326|2.195513|2.093184|2.587600|0.054956|1.684584|1.826802|1.868635|2.445000|1.596688|1.489287|1.351031|1.304898|1.374683|1.521095|11.795939|2.131172|1.134274|0.301846|0.301811|0.500000| |6.955460|8.854120|0.174321|17.495189|8.851547|6.778114|7.837105|6.812688|28.119454|6.592454|6.179046|3.250274|2.791481|2.417275|2.355146|2.608514|3.101006|2.016598|3.338575|2.582050|2.017542|1.907426|1.770015|2.237376|0.047922|1.500203|1.553458|1.669692|2.150791|1.421413|1.319593|1.211490|1.186625|1.258508|1.380594|10.838167|1.954501|1.037002|0.206074|0.141095|0.172818|0.500000| |6.837340|8.825255|0.215262|17.547424|8.823887|5.500630|6.730533|5.516895|24.655688|5.519202|5.559159|3.097205|2.638018|2.361745|2.386582|2.705485|3.150158|2.070491|3.453997|2.642613|2.056679|1.897581|1.770033|2.204146|0.046621|1.476568|1.536706|1.713637|2.201597|1.457013|1.350197|1.240425|1.217294|1.293393|1.418831|11.165165|2.004668|1.062143|0.167113|0.140181|0.204452|0.303262|0.500000| |4.063819|5.494563|0.140483|8.811005|17.551632|8.926054|7.680191|4.904814|28.462967|6.065015|7.079587|3.243661|2.672259|2.332976|2.341149|2.697141|3.267540|2.010363|3.415855|2.503391|1.888096|1.756104|1.609316|2.025479|0.042935|1.384977|1.395064|1.629502|2.067547|1.379714|1.272041|1.178038|1.169232|1.250840|1.364374|10.857199|1.936112|1.021629|0.108704|0.094696|0.108098|0.215321|0.210366|0.500000| |4.498719|6.768634|0.202339|8.837155|17.535223|8.906305|9.534049|5.722417|32.723732|6.473423|7.893727|3.990736|3.132207|2.749241|2.843563|3.436747|4.297890|2.395977|4.057357|2.930022|2.201857|1.993702|1.804180|2.227929|0.046991|1.516500|1.521365|1.877917|2.353465|1.555237|1.418470|1.305240|1.297197|1.398913|1.540149|12.443645|2.134106|1.118806|0.110754|0.107512|0.119068|0.173590|0.214660|0.302669|0.500000| |4.196786|5.678340|0.132782|6.767006|8.827250|17.508049|12.274780|6.938516|44.821085|9.848207|10.487852|4.150132|3.382512|2.764942|2.628339|2.945029|3.729286|2.184212|3.640779|2.717026|2.063753|1.964940|1.769937|2.250880|0.048495|1.538039|1.529138|1.743469|2.208293|1.459756|1.341023|1.234085|1.220380|1.307268|1.435757|11.466217|2.011033|1.059388|0.118799|0.101611|0.101110|0.198471|0.138944|0.216124|0.173904|0.500000| |3.550908|4.878018|0.129631|5.503683|8.827729|17.689797|12.431515|5.637736|49.517552|8.990217|14.438720|4.712213|3.592050|2.962775|2.913267|3.427784|4.530973|2.396211|4.062115|2.893898|2.140690|1.993698|1.771765|2.226854|0.047513|1.537090|1.500403|1.851049|2.306668|1.527217|1.389227|1.281490|1.279058|1.383815|1.521363|12.362665|2.107932|1.102710|0.094563|0.089228|0.088678|0.139068|0.123415|0.211963|0.217099|0.301774|0.500000| |6.921328|8.852093|0.217823|5.523924|4.910666|5.621793|12.426524|17.593497|50.036418|11.956377|8.346070|6.740187|5.693051|4.447296|4.032333|4.340928|5.484150|3.129710|4.851555|3.975433|3.245579|3.037330|2.655212|3.245987|0.071001|2.117947|2.154349|2.408769|3.047882|1.928691|1.747046|1.560488|1.514794|1.627567|1.842428|14.836234|2.441335|1.279114|0.168658|0.207005|0.141514|0.139614|0.123714|0.107978|0.128504|0.142358|0.127087|0.500000| |6.955245|8.794972|0.174253|6.776801|5.716041|6.925449|12.308794|17.520299|45.203405|12.013444|8.178129|4.789738|4.143213|3.310169|3.020971|3.241032|4.012312|2.464635|3.949834|3.154327|2.514613|2.425327|2.184920|2.761962|0.060486|1.831069|1.870836|1.982001|2.539086|1.644481|1.511696|1.369388|1.333697|1.421399|1.582208|12.541251|2.173979|1.147416|0.206235|0.172557|0.141200|0.198868|0.138979|0.128209|0.131934|0.205202|0.142508|0.302715|0.500000| |3.064148|3.422520|0.094545|2.867221|2.932128|3.542026|6.383573|4.517807|47.712285|13.921731|8.936397|8.947298|17.764156|8.880518|5.634487|4.945872|5.639778|4.081190|6.120751|5.041563|3.867322|3.923497|3.087595|3.873376|0.086860|2.649374|2.396359|2.968329|3.646640|2.276980|2.014138|1.786846|1.748495|1.910474|2.195910|18.180970|2.791786|1.442654|0.081736|0.091466|0.073459|0.076324|0.069924|0.071249|0.080291|0.093840|0.095041|0.151068|0.118017|0.500000| |2.552306|2.738909|0.079464|2.316935|2.342918|2.625025|4.429741|3.213603|27.898693|7.004284|6.011076|5.669314|8.947835|17.730786|8.896270|5.633775|4.949111|6.927461|9.101436|8.914872|6.436768|6.579263|4.333992|5.097715|0.110789|3.564871|2.934981|4.703876|5.477076|3.208934|2.702039|2.317918|2.258349|2.526662|3.050484|26.377553|3.500967|1.773674|0.066548|0.077906|0.063783|0.060721|0.058958|0.057883|0.066534|0.068365|0.071624|0.105585|0.082102|0.214701|0.500000| |2.748817|3.192205|0.102980|2.772557|2.965930|3.110630|5.081315|3.375847|27.724225|5.706636|6.554466|5.655840|4.944665|5.643938|8.914246|17.747178|8.925682|7.187455|12.528155|6.758100|4.320819|3.355115|2.760766|3.166889|0.064732|2.200117|2.040035|3.904372|4.329312|2.719990|2.290889|2.046428|2.075358|2.377292|2.784019|25.777796|3.290271|1.652632|0.067818|0.080091|0.071706|0.068076|0.072621|0.072078|0.092609|0.074799|0.087985|0.102381|0.079685|0.107456|0.124066|0.500000| |3.430574|4.474196|0.145050|3.914872|4.576400|5.136999|9.030722|5.018747|46.887561|8.044883|11.077099|8.908346|5.634737|4.950209|5.642599|8.924298|17.755723|4.133501|6.899007|4.536583|3.226618|2.769295|2.341153|2.799185|0.058813|1.924676|1.832651|2.733983|3.242567|2.081729|1.826264|1.653735|1.659542|1.843459|2.090255|17.980228|2.681536|1.375389|0.084283|0.095287|0.086556|0.092882|0.097050|0.104856|0.147801|0.113051|0.149040|0.142544|0.111376|0.124264|0.107514|0.214694|0.500000| |2.455321|2.464282|0.074396|2.077151|2.008514|2.066404|3.317591|2.562084|17.857632|4.326370|3.961306|3.200553|3.586253|4.537024|5.016466|4.063470|3.343103|5.988564|8.305589|12.588436|17.620797|8.772403|7.657542|6.502962|0.120432|4.077108|3.942400|7.460261|10.433304|5.027982|4.116387|3.204333|2.925646|3.199334|4.115876|32.114650|4.320572|2.192249|0.062128|0.077323|0.064673|0.053689|0.055531|0.050110|0.058326|0.053516|0.055307|0.082088|0.064785|0.089410|0.131016|0.108404|0.081227|0.500000| |2.939985|3.028983|0.092091|2.467735|2.393404|2.515278|4.219562|3.270630|23.126206|5.552214|4.936126|4.476425|5.236904|7.114318|7.707629|5.680108|4.587715|7.440878|9.154653|12.541191|17.710734|8.784581|6.000277|5.776132|0.117281|3.624672|3.438168|5.790851|6.992010|3.747293|3.128009|2.577715|2.436730|2.693931|3.345538|28.081532|3.706828|1.886738|0.073501|0.093928|0.075097|0.063226|0.064564|0.058543|0.069429|0.064437|0.066799|0.109568|0.080762|0.123628|0.191615|0.137902|0.105133|0.304465|0.500000| |2.582462|2.583097|0.074229|2.154482|2.078517|2.236094|3.681604|2.890441|21.050114|5.489567|4.498333|3.749604|4.825058|6.050586|4.995495|3.808422|3.440474|4.820229|6.651276|8.174050|8.763909|17.532931|8.857945|9.283239|0.212334|5.404343|4.667527|4.718898|6.418038|3.569833|3.127729|2.568367|2.370883|2.542749|3.086485|23.953176|3.620656|1.871511|0.067629|0.082019|0.065209|0.057112|0.055863|0.051719|0.058439|0.059307|0.059346|0.095894|0.075500|0.131052|0.212242|0.092286|0.080835|0.180179|0.230120|0.500000| |2.136359|2.167975|0.062908|1.863963|1.833076|1.959488|3.138874|2.377428|18.044659|4.587323|4.030429|3.190700|3.953093|5.198815|4.739244|3.548646|3.066848|5.370121|7.580945|10.422276|8.877626|17.653124|8.851396|9.372149|0.180566|6.853011|4.537981|6.758936|9.584494|4.954273|4.106700|3.234679|2.963650|3.231860|4.112087|31.373063|4.386508|2.222135|0.056026|0.066029|0.055072|0.049310|0.048868|0.046192|0.052082|0.051811|0.053031|0.075939|0.062111|0.104955|0.187611|0.089306|0.073043|0.186966|0.182108|0.302328|0.500000| |2.052510|2.010403|0.058613|1.734636|1.668847|1.727928|2.710607|2.107185|14.771930|3.724012|3.316012|2.494284|2.849865|3.406774|3.385406|2.817215|2.479057|3.837826|5.819508|7.197107|6.971335|8.859327|17.667122|12.371244|0.181709|7.156021|6.889376|5.486808|10.169125|5.468887|5.156034|3.765744|3.166000|3.227106|3.997769|26.612064|4.623564|2.413793|0.053609|0.064048|0.054189|0.045910|0.046414|0.042332|0.047524|0.045807|0.046292|0.066336|0.055224|0.075765|0.105852|0.074549|0.061502|0.221385|0.147274|0.173782|0.211327|0.500000| |2.432367|2.322037|0.067189|1.957192|1.843888|1.906235|3.033106|2.436515|16.281700|4.164351|3.560113|2.731146|3.128728|3.610354|3.459166|2.927786|2.655274|3.598511|5.335767|6.261282|6.811913|8.820490|17.611377|12.423861|0.219170|5.609753|7.480979|4.182696|6.524601|3.724619|3.505356|2.800322|2.461686|2.529920|3.021330|21.501531|3.739313|1.976712|0.063416|0.078093|0.063564|0.051933|0.052145|0.046379|0.052063|0.050711|0.050249|0.078310|0.063982|0.084152|0.109775|0.075820|0.065714|0.205093|0.167297|0.213490|0.173453|0.300211|0.500000| |1.817185|1.811403|0.051556|1.591033|1.557182|1.658931|2.587626|1.970670|14.761101|3.850148|3.353379|2.440171|2.917649|3.432245|3.115657|2.546291|2.313873|3.374620|5.250331|5.683848|4.562200|6.817581|6.880476|12.246728|0.225451|17.696204|5.621276|4.255623|6.641659|4.189287|3.972840|3.240127|2.870833|2.942385|3.469468|23.646662|4.334695|2.266797|0.048659|0.055542|0.047217|0.042779|0.041935|0.039820|0.043725|0.044654|0.044921|0.061480|0.052860|0.081742|0.116100|0.065516|0.056979|0.115172|0.107195|0.168128|0.244131|0.174839|0.140890|0.500000| |1.702906|1.678629|0.048072|1.482690|1.442261|1.510231|2.328028|1.782450|12.945165|3.325717|2.962277|2.116743|2.435166|2.825776|2.704050|2.280029|2.060150|3.008631|4.797095|5.146505|4.163606|5.515480|7.030831|12.325051|0.181404|17.654697|6.944033|4.139234|7.188140|4.841894|5.135670|3.995906|3.286596|3.197107|3.715442|23.218717|4.873746|2.600265|0.045421|0.052026|0.044896|0.039780|0.039542|0.037043|0.040690|0.040564|0.040837|0.055072|0.047672|0.066993|0.090307|0.060188|0.051591|0.115453|0.096447|0.128226|0.171258|0.219253|0.145894|0.299953|0.500000| |1.686944|1.652054|0.046608|1.463216|1.418204|1.497090|2.302576|1.774333|12.894786|3.390770|2.938602|2.061306|2.392288|2.683255|2.469947|2.105731|1.956319|2.614852|4.168263|4.239237|3.461557|4.676396|5.561172|12.311140|0.221554|17.651809|7.271185|3.195389|5.035333|3.392071|3.490983|2.958657|2.565927|2.520673|2.834666|18.708238|3.976587|2.153913|0.045621|0.051454|0.044164|0.039674|0.038807|0.036522|0.039582|0.040657|0.040346|0.054734|0.048187|0.067855|0.086306|0.054834|0.049093|0.092629|0.085000|0.122396|0.140984|0.145496|0.126714|0.300181|0.298621|0.500000| |2.084228|1.950710|0.055079|1.687950|1.581819|1.631148|2.527562|2.034952|13.518452|3.535476|3.000638|2.148084|2.416824|2.639214|2.486023|2.188646|2.057964|2.544904|3.971379|4.123289|3.785461|4.730600|7.097606|12.293039|0.224637|5.620040|17.654646|2.928591|4.567734|2.918580|2.968524|2.489039|2.161717|2.138938|2.426638|16.564203|3.373130|1.840366|0.055956|0.065654|0.054997|0.045677|0.045215|0.040407|0.044068|0.044203|0.043006|0.063582|0.055061|0.067489|0.080000|0.057253|0.052160|0.109802|0.097870|0.128290|0.114411|0.168824|0.230085|0.126059|0.142094|0.146994|0.500000| |1.797723|1.710917|0.048049|1.506090|1.430735|1.488432|2.283231|1.804393|12.425592|3.272543|2.798639|1.954742|2.214716|2.416175|2.253849|1.976185|1.861984|2.330650|3.700890|3.736424|3.225598|4.121562|5.590702|12.287798|0.223273|7.182437|17.650398|2.737263|4.292054|2.857330|2.986439|2.550500|2.201133|2.144336|2.390733|15.957155|3.458225|1.906053|0.048761|0.055497|0.047392|0.040989|0.040234|0.036830|0.039769|0.040560|0.039611|0.055688|0.049240|0.062669|0.074614|0.051747|0.047266|0.090596|0.082079|0.111368|0.109127|0.141989|0.149011|0.146715|0.172548|0.224997|0.299353|0.500000| |1.815553|1.734499|0.049466|1.522239|1.448282|1.491851|2.291543|1.803120|12.353435|3.184307|2.791738|1.979156|2.218426|2.478492|2.390953|2.091997|1.929466|2.553255|4.054566|4.233787|3.710288|4.564857|7.038384|12.336213|0.181535|7.018444|17.647043|3.200353|5.302536|3.514717|3.790300|3.099489|2.577509|2.481025|2.804871|18.168234|3.962137|2.179990|0.048494|0.056208|0.048318|0.040987|0.040957|0.037192|0.040679|0.040229|0.039791|0.055710|0.048456|0.061173|0.075726|0.055531|0.049008|0.110406|0.091068|0.113660|0.118274|0.206831|0.185888|0.142435|0.207187|0.177662|0.299222|0.299115|0.500000| |1.571128|1.561470|0.045588|1.394802|1.365865|1.402524|2.133400|1.612354|11.610924|2.883401|2.706018|1.907416|2.099243|2.447933|2.536756|2.210935|1.945024|3.006844|5.058147|5.149622|3.816906|3.967963|4.595327|5.685525|0.095821|4.620762|3.925104|4.784405|9.412893|8.901949|17.709373|8.930460|5.624704|4.918522|5.646959|28.765442|7.445784|3.908283|0.041315|0.047494|0.042245|0.036982|0.037756|0.035228|0.039152|0.037220|0.038206|0.049076|0.042482|0.055770|0.073871|0.060992|0.049590|0.117698|0.087749|0.090626|0.116202|0.169710|0.109569|0.118147|0.170059|0.108894|0.095391|0.096149|0.130126|0.500000| |1.320589|1.321800|0.038470|1.203424|1.189643|1.218038|1.820720|1.358188|9.902885|2.448137|2.353026|1.593873|1.721450|1.960871|2.042840|1.834744|1.634849|2.386707|4.215171|3.781655|2.663887|2.698502|2.908497|3.796720|0.068076|3.124561|2.698297|3.425756|5.651846|5.669360|8.979118|17.771141|8.859209|5.622120|4.986755|24.406652|12.529234|7.463086|0.034931|0.039284|0.035751|0.032006|0.032727|0.030999|0.034131|0.032413|0.033467|0.040653|0.035970|0.045938|0.058173|0.051345|0.042358|0.079068|0.064509|0.065307|0.079858|0.095427|0.072804|0.083274|0.104966|0.079689|0.067537|0.070202|0.085236|0.216923|0.500000| |1.362664|1.409101|0.041517|1.293156|1.312421|1.354402|2.021480|1.459787|11.179674|2.691189|2.721812|1.836616|1.957635|2.274892|2.486801|2.248575|1.941316|3.080816|6.021522|4.521467|2.790619|2.617697|2.491506|3.096548|0.058347|2.484508|2.060162|4.296439|5.761432|5.590994|4.921496|5.632138|8.949648|17.747352|8.836266|44.023319|13.518679|4.875782|0.035753|0.040019|0.036727|0.034026|0.035005|0.034179|0.038178|0.035578|0.037908|0.043411|0.038156|0.050951|0.066105|0.064736|0.050311|0.078724|0.068667|0.064236|0.079604|0.076970|0.062594|0.072340|0.076299|0.062405|0.053380|0.053485|0.060648|0.106984|0.123988|0.500000| 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