Version2.0 2019-11-14T11:15:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NCC[NH+]2CCN(CC2)c3nc4c(cc(cc4s3)C)C C38776374 RHF 6-31G(d) (6D,7F) CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NCC[NH+]2CCN(CC2)c3nc4c(cc(cc4s3)C)C C01[X(C26H36N5O3S2)] 210 C1 620 CCN(S(=O)(=O)c1ccc(cc1)C(=O)NCC[NH+]1CCN(CC1)c1sc2c(n1)c(C)cc(c2)C)CC CCN(S(=O)(=O)c1ccc(cc1)C(=O)NCC[NH+]1CCN(CC1)c1sc2c(n1)c(C)cc(c2)C)CC CCN(CC)[S](=O)(=O)c1ccc(cc1)C(=O)NCC[NH+]2CCN(CC2)c3sc4cc(C)cc(C)c4n3 InChIKey=ZFQMCLZKUVQERZ-UHFFFAOYSA-O InChI=1S/C26H35N5O3S2/c1-5-31(6-2)36(33,34)22-9-7-21(8-10-22)25(32)27-11-12-29-13-15-30(16-14-29)26-28-24-20(4)17-19(3)18-23(24)35-26/h7-10,17-18H,5-6,11-16H2,1-4H3,(H,27,32)/p+1 InChI=1/C26H35N5O3S2/c1-5-31(6-2)36(33,34)22-9-7-21(8-10-22)25(32)27-11-12-29-13-15-30(16-14-29)26-28-24-20(4)17-19(3)18-23(24)35-26/h7-10,17-18H,5-6,11-16H2,1-4H3,(H,27,32)/p+1/fC26H36N5O3S2/h27,29H/q+1 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NCC[NH+]2CCN(CC2)c3nc4c(cc(cc4s3)C)C C01[X(C26H36N5O3S2)] 210 C01 620 CCN(S(=O)(=O)c1ccc(cc1)C(=O)NCC[NH+]1CCN(CC1)c1sc2c(n1)c(C)cc(c2)C)CC CCN(S(=O)(=O)c1ccc(cc1)C(=O)NCC[NH]1CCN(CC1)c1sc2c(n1)c(C)cc(c2)C)CC CCN(CC)[S](=O)(=O)c1ccc(cc1)C(=O)NCC[NH]2CCN(CC2)c3sc4cc(C)cc(C)c4n3 InChIKey=YDFLDLCADZYLJC-UHFFFAOYSA-N InChI=1S/C26H36N5O3S2/c1-5-31(6-2)36(33,34)22-9-7-21(8-10-22)25(32)27-11-12-29-13-15-30(16-14-29)26-28-24-20(4)17-19(3)18-23(24)35-26/h7-10,17-18,29H,5-6,11-16H2,1-4H3,(H,27,32) InChI=1/C26H36N5O3S2/c1-5-31(6-2)36(33,34)22-9-7-21(8-10-22)25(32)27-11-12-29-13-15-30(16-14-29)26-28-24-20(4)17-19(3)18-23(24)35-26/h7-10,17-18,29H,5-6,11-16H2,1-4H3,(H,27,32)/f/h27H 3984.1876532076 -2297.1466848 1-A 49277.3065 141 479 620 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880.73 891.77 909.33 955.60 979.51 994.01 1051.31 1073.61 1127.10 1131.43 1167.03 1195.38 1196.92 1216.21 1224.27 1246.50 1252.74 1287.69 1311.70 1352.30 1367.72 1382.52 1391.86 1404.23 1446.29 1451.54 1457.34 1463.54 1484.13 1501.74 1519.89 1584.80 1587.93 1595.50 1598.67 1602.37 1609.58 1617.72 1620.25 1634.47 1650.76 1654.38 1686.95 1689.73 1690.75 1705.79 1722.95 1725.61 1739.01 1750.08 1779.93 1800.88 1809.64 1812.27 1830.82 1869.94 1879.21 1882.94 1890.86 1914.37 1917.19 1938.19 1944.64 1977.27 1983.28 2016.81 2028.96 2036.65 2063.11 2086.40 2089.52 2094.78 2120.47 2124.70 2134.07 2164.14 2177.22 2182.41 2183.21 2218.05 2221.11 2225.02 2233.26 2247.84 2256.52 2261.34 2264.88 2265.03 2265.71 2270.23 2297.35 2313.19 2324.84 2337.34 2341.01 2344.70 2350.16 2352.00 2355.49 2356.18 2357.46 2363.56 2363.60 2371.99 2374.96 2377.62 2379.95 2384.07 2386.25 2400.44 2438.91 2537.00 2548.92 2554.62 2604.40 2606.29 2769.28 4544.21 4562.76 4617.90 4621.20 4623.83 4625.52 4662.74 4674.58 4685.79 4698.01 4703.40 4707.86 4712.49 4712.64 4722.32 4730.78 4732.43 4741.23 4747.82 4754.66 4755.10 4777.03 4777.33 4806.00 4813.07 4817.42 4832.87 4853.53 4860.05 4862.70 4863.94 4904.31 4920.30 4925.96 5289.57 5594.39 0.653070 0.687310 0.688254 0.580577 -2296.493615 -2296.459375 -2296.458431 -2296.566108 3.611504D-04 MUNgauss RevisionA1.9 retrievium 14-Nov-2019 DUDE CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NCC[NH+]2CCN(CC2)c3nc4c(cc(cc4s3)C)C C38776374 RHF 6-31G(d) (6D,10F) C1 530.225922 |X|Y|Z| 212.388817 34.054955 54.849214 73.478586 25 6 7 16 20 4 1 |36.858105| |12.486749|36.858105| |7.603374|12.975737|53.358707| |5.772103|7.554061|17.632906|36.858105| |4.335657|5.764426|10.362597|12.500105|36.858105| |5.236283|7.067645|16.014699|7.116550|5.431939|388.023441| |3.931517|5.017945|10.518679|6.712669|5.812610|94.820234|73.516695| |4.917938|6.638029|10.489639|5.010696|4.307636|94.802595|13.575211|73.516695| |4.866292|5.222143|9.447211|5.296240|3.953573|75.801472|13.183677|13.169767|36.858105| |3.968974|4.105823|7.363999|4.920085|3.729324|49.219723|11.573258|8.868048|13.737804|36.858105| |3.423545|3.341618|5.466864|3.751949|2.980001|33.535564|7.903048|6.860349|7.962753|13.777905|36.858105| |3.398628|3.200563|4.913690|3.236093|2.619652|29.770405|6.619774|6.617442|6.893650|7.929890|13.710705|36.858105| |3.911220|3.653614|5.412167|3.338103|2.695777|33.564393|6.891152|7.943870|7.965749|6.860562|7.916773|13.699239|36.858105| |4.810997|4.743337|7.245278|4.087053|3.214588|49.306838|8.929057|11.688797|13.744800|7.900814|6.857134|7.923939|13.773159|36.858105| |2.785878|2.594035|3.857118|2.626492|2.198916|22.423245|5.170836|5.149871|4.477493|5.084827|7.729453|12.766466|7.533568|5.026384|36.858105| |2.554392|2.377873|3.548290|2.498644|2.109115|20.075425|4.759256|4.541876|3.817317|4.526845|6.719772|8.032381|5.296422|4.005939|15.804716|73.516695| |2.538192|2.365893|3.420899|2.299132|1.966053|19.905771|4.560359|4.775729|3.768244|3.958585|5.213689|7.795308|6.539621|4.452155|13.945608|15.212770|53.358707| |2.152707|2.013994|2.888040|1.981031|1.727281|16.490887|3.862637|3.974441|2.952078|3.130723|3.947914|5.058491|4.376860|3.330914|7.904867|12.720818|17.996042|36.858105| |2.111378|1.934854|2.732759|1.895521|1.652655|15.121940|3.524881|3.631984|2.649317|2.795403|3.442440|4.240907|3.763698|2.960129|6.124117|11.158962|10.574748|12.384911|36.858105| |1.850231|1.712773|2.427799|1.714249|1.514442|13.330066|3.167038|3.185301|2.273555|2.434211|2.941628|3.383502|2.980007|2.456068|4.576401|9.141208|6.989719|7.559020|12.664285|53.358707| |1.738904|1.628391|2.313445|1.630568|1.451804|12.824301|3.067809|3.083745|2.170082|2.316741|2.773772|3.165196|2.812630|2.338932|4.200620|8.145923|6.604990|7.488924|9.283418|25.680233|0.500000| |1.857257|1.726384|2.480361|1.781191|1.570775|13.547910|3.262660|3.177702|2.313136|2.551892|3.125585|3.433985|2.902786|2.426402|4.618882|10.343845|6.245626|5.914631|7.611818|17.196150|0.258098|36.858105| |1.627967|1.527167|2.188898|1.587175|1.420993|11.892898|2.898518|2.799999|1.975922|2.168487|2.568347|2.728843|2.367760|2.043626|3.421454|7.279173|4.646333|4.217670|4.967253|10.447589|0.200075|12.551878|36.858105| |1.548486|1.442531|2.041456|1.479011|1.330025|10.968106|2.655537|2.602752|1.797569|1.938005|2.248043|2.402901|2.146061|1.871808|2.925646|5.969512|4.050048|3.599333|4.459540|9.073262|0.168458|7.846606|13.144559|53.358707| |1.538996|1.429812|2.005549|1.436488|1.292538|10.812906|2.595281|2.596619|1.771341|1.877948|2.167460|2.371614|2.163288|1.875563|2.893970|5.675210|4.192796|3.840616|4.963322|10.439384|0.200147|6.627901|7.878233|17.903083|36.858105| |1.725932|1.587048|2.218566|1.572344|1.399534|11.990377|2.841329|2.885354|1.998036|2.105219|2.464553|2.784511|2.544143|2.154826|3.506099|6.785599|5.248727|4.987967|7.616898|17.261764|0.259837|7.742466|6.633370|10.671542|12.544031|36.858105| |1.410026|1.320495|1.865906|1.361682|1.236126|9.970352|2.430377|2.367854|1.607432|1.728827|1.969167|2.066508|1.865358|1.657527|2.435182|4.895990|3.336567|2.862303|3.363704|6.118814|0.119706|5.133177|7.794987|18.622842|7.953947|5.173559|36.858105| |1.315597|1.233290|1.731093|1.260036|1.150464|9.232798|2.246896|2.208911|1.474032|1.567971|1.764154|1.857094|1.704198|1.525653|2.155581|4.230232|2.995495|2.551192|2.970834|5.196684|0.104026|4.006672|5.360718|11.107868|7.047510|4.591035|15.059062|53.358707| |1.224306|1.152760|1.618455|1.185493|1.089707|8.596757|2.103789|2.054521|1.357744|1.444591|1.607496|1.669700|1.537764|1.393541|1.902159|3.717946|2.612643|2.174274|2.462427|4.111314|0.082696|3.226991|4.148809|7.345186|4.657363|3.451455|8.677897|18.615509|36.858105| |1.134442|1.070400|1.495722|1.094451|1.011716|7.930618|1.940412|1.905375|1.241309|1.310519|1.443646|1.499333|1.396721|1.275293|1.686352|3.246633|2.330017|1.919775|2.148420|3.479613|0.070614|2.647078|3.222312|5.418573|3.744796|2.918427|5.400829|10.482457|13.612111|36.858105| |1.070657|1.014039|1.418149|1.042756|0.968905|7.498937|1.842979|1.799362|1.164952|1.230764|1.345857|1.384809|1.291825|1.189186|1.539643|2.959284|2.109445|1.713935|1.888463|2.993995|0.060743|2.305951|2.754788|4.395706|2.990945|2.440436|4.185217|7.036951|8.041939|13.817543|36.858105| |1.075639|1.021161|1.434320|1.060881|0.986976|7.573127|1.870167|1.807873|1.174846|1.248826|1.364407|1.390536|1.289385|1.190665|1.540346|2.982619|2.085599|1.681938|1.838624|2.902412|0.058628|2.294287|2.753715|4.256692|2.782863|2.310014|4.052886|6.218111|6.846033|7.784041|13.565968|36.858105| |1.150264|1.090932|1.539879|1.141849|1.057817|8.138431|2.012909|1.932114|1.270689|1.361379|1.498007|1.521231|1.396418|1.283915|1.697198|3.329684|2.278451|1.843179|2.021716|3.234764|0.064923|2.635188|3.255972|5.003414|3.096873|2.545548|4.977181|7.101701|7.836092|6.727507|7.932755|13.805758|36.858105| |1.232597|1.163911|1.643467|1.212829|1.115949|8.713879|2.145448|2.068446|1.374461|1.475057|1.640815|1.681635|1.535301|1.397143|1.906238|3.770432|2.571984|2.114427|2.361078|3.897124|0.077853|3.206812|4.167866|6.805200|3.997226|3.123376|7.798055|11.054677|13.754596|7.896656|7.004249|8.022092|13.718435|36.858105| |1.371071|1.291803|1.838403|1.358841|1.239377|9.778731|2.409294|2.301860|1.563872|1.700767|1.922986|1.965559|1.760156|1.585156|2.269029|4.615762|3.015115|2.498671|2.814208|4.787050|0.093832|4.274544|6.069801|9.441520|4.702841|3.694886|10.823524|10.037532|7.423154|4.869028|4.274564|4.688582|6.720542|10.859784|388.023441| |1.004152|0.957024|1.343511|0.997112|0.933192|7.076603|1.753627|1.690289|1.088631|1.154937|1.251048|1.266872|1.179938|1.098398|1.387054|2.669275|1.871373|1.491559|1.610482|2.491834|0.050415|1.961748|2.290262|3.429891|2.280623|1.954563|3.086453|4.564331|4.437526|4.997174|7.555863|12.608490|7.565314|5.043580|25.312009|36.858105| |1.113775|1.049504|1.458594|1.060733|0.981010|7.743453|1.885761|1.872873|1.210397|1.267166|1.392337|1.459547|1.373239|1.252912|1.639870|3.115772|2.298209|1.900307|2.133884|3.423101|0.069982|2.500560|2.945198|4.962253|3.734607|2.940252|4.517000|8.738182|7.536417|12.635069|7.534737|4.966140|4.390044|5.015483|26.719657|3.775951|36.858105| |17.567653|8.780912|9.224921|5.036125|3.776720|38.620811|7.031040|9.201390|5.705749|4.460575|3.917882|4.045794|4.900524|6.146801|3.229592|5.137595|3.999172|2.433664|2.375310|2.778656|0.053090|2.032449|1.756837|2.266217|1.663131|1.888630|1.501722|1.901588|1.291015|1.192097|1.119363|1.121583|1.201685|1.295429|10.298705|1.042027|1.172469|0.500000| |17.551311|8.857147|7.563645|4.520276|3.718408|29.816676|5.852614|7.469524|3.899232|3.261720|2.907911|2.947710|3.391868|4.007871|2.496834|4.087988|3.168872|2.005127|1.985598|2.378570|0.045696|1.738951|1.535205|2.006728|1.474349|1.650214|1.348002|1.722861|1.179957|1.098733|1.037630|1.039439|1.106505|1.183421|9.288257|0.972018|1.083170|0.301369|0.500000| |17.561825|8.759302|9.345939|6.188383|4.488460|33.128144|6.626777|7.317020|4.495918|3.934835|3.436956|3.326447|3.643372|4.267860|2.767455|4.614291|3.373435|2.123260|2.108684|2.539033|0.048416|1.896876|1.665760|2.157903|1.562106|1.745046|1.447168|1.831714|1.255525|1.160629|1.097407|1.106466|1.186555|1.269953|10.077706|1.033440|1.134272|0.301520|0.301772|0.500000| |8.853344|17.590030|12.576191|7.311321|6.465723|39.167795|7.849763|9.276653|4.131493|3.464018|2.880220|2.736317|3.033034|3.747119|2.281673|3.780376|2.848899|1.814323|1.755901|2.142863|0.041661|1.592752|1.423914|1.839106|1.335973|1.470360|1.245993|1.588906|1.097051|1.022085|0.972111|0.980503|1.045167|1.109698|8.713449|0.922627|1.001361|0.173017|0.214628|0.209613|0.500000| |8.829755|17.675145|12.474747|5.650415|4.784072|49.850677|8.625267|14.528826|5.050094|3.835510|3.164396|3.110130|3.662985|4.853835|2.529202|4.067132|3.204037|2.000821|1.904586|2.285529|0.044609|1.674599|1.482978|1.908544|1.399792|1.555629|1.282754|1.636577|1.122357|1.044919|0.988757|0.992630|1.057426|1.128695|8.874358|0.930242|1.028636|0.211018|0.212168|0.172641|0.304969|0.500000| |4.778933|5.637792|12.396148|17.639204|8.872076|49.357763|13.169894|8.274624|5.770724|5.945802|4.348470|3.546075|3.509307|4.206611|2.850011|4.871347|3.321340|2.097138|1.992718|2.460969|0.047766|1.901087|1.689418|2.121915|1.502940|1.642356|1.432354|1.793214|1.238704|1.138324|1.084348|1.106756|1.196815|1.272933|10.219270|1.038638|1.098500|0.124675|0.105967|0.143509|0.145425|0.127227|0.500000| |6.495402|7.324560|12.575988|17.589119|8.826612|38.780119|8.779132|7.474435|4.618887|4.376201|3.537019|3.117836|3.202680|3.792328|2.578519|4.405500|3.073727|1.957921|1.905168|2.348419|0.045274|1.795666|1.599833|2.042966|1.455832|1.595473|1.383289|1.742701|1.205367|1.112705|1.060281|1.078897|1.161365|1.233459|9.822198|1.013821|1.077850|0.149174|0.140071|0.220666|0.206250|0.145799|0.304805|0.500000| |3.720085|4.516359|7.566745|8.862218|17.546052|30.540063|8.363000|6.205544|3.419286|3.376823|2.779857|2.430090|2.447161|2.826985|2.079453|3.602111|2.524446|1.648018|1.587815|2.000114|0.039102|1.536202|1.399388|1.784531|1.266662|1.362714|1.224848|1.550692|1.083813|1.006332|0.967015|0.988570|1.060488|1.114689|8.799225|0.937245|0.972408|0.091234|0.090598|0.110913|0.139647|0.106054|0.213350|0.213941|0.500000| |4.489489|6.183104|9.372970|8.780600|17.563623|34.339644|8.532639|7.405731|3.539000|3.241768|2.661430|2.409093|2.525541|3.007301|2.043465|3.469158|2.523411|1.635624|1.573444|1.960910|0.038380|1.482439|1.344521|1.725120|1.238286|1.341241|1.180183|1.502131|1.046105|0.974909|0.933940|0.948917|1.013170|1.067622|8.381586|0.898384|0.948559|0.104818|0.110868|0.126217|0.219597|0.143665|0.173179|0.209417|0.301742|0.500000| |3.784455|5.044228|9.287191|8.833532|17.609700|41.060654|12.420401|8.155764|3.997979|3.768390|2.974769|2.600402|2.674640|3.207981|2.178249|3.697259|2.662133|1.718575|1.625757|2.030274|0.039962|1.544769|1.400466|1.776559|1.269877|1.371940|1.213334|1.537726|1.070162|0.994131|0.952293|0.969899|1.038995|1.095650|8.648314|0.917533|0.964437|0.095184|0.091332|0.105012|0.148829|0.125128|0.212991|0.173271|0.300650|0.300793|0.500000| |3.658238|3.921866|7.326506|5.395335|4.145220|47.045326|13.206171|8.161302|8.916449|17.763309|8.919968|5.642828|4.949884|5.635833|4.142303|6.946871|4.517498|2.745848|2.485882|3.026769|0.059085|2.364275|2.050537|2.495957|1.760612|1.942133|1.654960|2.044426|1.395510|1.268135|1.198211|1.222238|1.333172|1.434656|11.738480|1.136019|1.220667|0.108563|0.084215|0.103095|0.095081|0.100120|0.198686|0.128506|0.105838|0.096372|0.118386|0.500000| |2.973366|2.904199|4.699118|3.390044|2.768433|27.711667|6.897051|5.747346|5.654542|8.917718|17.757511|8.932880|5.644332|4.946935|7.227009|13.300891|6.589472|3.916029|3.451367|4.157523|0.080005|3.383164|2.787472|3.253356|2.257696|2.531928|2.094930|2.526015|1.694120|1.510233|1.410025|1.438803|1.592389|1.746194|14.758145|1.317137|1.443783|0.091806|0.071387|0.084645|0.071427|0.075994|0.110557|0.089837|0.073494|0.068431|0.076783|0.214435|0.500000| |3.606985|3.301753|4.656316|2.893834|2.398192|27.825192|5.786129|6.972935|5.671142|4.946433|5.624400|8.852781|17.725344|8.981229|6.879783|8.646479|9.760159|4.725789|4.076565|4.245124|0.081814|2.921957|2.375561|2.968905|2.243402|2.683544|1.885490|2.360934|1.555341|1.417041|1.304012|1.292534|1.393675|1.537826|12.452856|1.179644|1.404635|0.125254|0.090209|0.092467|0.077285|0.093714|0.082729|0.078299|0.060835|0.063504|0.065921|0.107485|0.123877|0.500000| |5.094080|5.099221|7.142307|3.866544|3.132816|47.214860|8.244098|13.507654|8.924676|5.636672|4.947484|5.637090|8.909654|17.762974|4.085181|5.946289|5.248102|2.991428|2.698089|3.066897|0.059917|2.194305|1.872624|2.365159|1.757239|2.012447|1.548614|1.957320|1.317001|1.213300|1.132757|1.130390|1.211806|1.314411|10.493618|1.045685|1.198502|0.182645|0.121476|0.118382|0.110144|0.156131|0.105581|0.100124|0.075680|0.083748|0.086902|0.124190|0.107485|0.216329|0.500000| |2.576164|2.429356|3.493809|2.303004|1.979066|20.768106|4.704955|5.110574|3.921943|3.937009|4.921471|7.340964|7.193216|4.843392|9.338162|10.954669|26.072170|9.083777|5.900002|5.725211|0.114216|3.739800|2.935859|3.553958|2.730263|3.338171|2.197364|2.726403|1.763642|1.590731|1.447157|1.427729|1.547360|1.731394|14.191525|1.289275|1.579087|0.083295|0.065869|0.068610|0.059361|0.068250|0.067295|0.062244|0.051411|0.052081|0.055057|0.091012|0.121905|0.238781|0.118849|0.500000| |2.029086|1.922942|2.794082|1.942469|1.704026|16.020158|3.830585|3.816010|2.845331|3.107375|3.955493|4.757556|3.936816|3.096344|7.305392|13.424524|12.481549|17.575708|8.781701|10.118410|0.221389|6.634527|4.745307|5.162858|3.884613|4.726030|3.016187|3.597840|2.259047|1.976192|1.768837|1.748994|1.933371|2.222705|18.999851|1.548456|1.932394|0.062936|0.052288|0.055981|0.048416|0.052833|0.057694|0.053076|0.045425|0.044553|0.047313|0.077061|0.113967|0.112117|0.076622|0.192458|0.500000| |2.021099|1.905109|2.706854|1.844486|1.626008|15.529544|3.636446|3.816250|2.716479|2.808296|3.398483|4.261682|3.947285|3.093439|5.810803|9.152999|12.622811|17.609854|8.824350|8.556769|0.190288|4.752663|3.703014|4.456952|3.620017|4.589543|2.662416|3.307308|2.077700|1.859066|1.658780|1.614894|1.750591|1.997423|16.394946|1.436500|1.865033|0.063195|0.052805|0.054848|0.047832|0.053152|0.053768|0.050459|0.042991|0.043039|0.045136|0.068976|0.092239|0.121977|0.079208|0.235144|0.302620|0.500000| |2.061339|1.879521|2.614011|1.800144|1.578272|14.384006|3.325803|3.508903|2.476739|2.545635|3.034517|3.728169|3.509808|2.808324|4.930905|8.486682|8.710033|8.768001|17.634677|12.363478|0.209865|5.636911|4.178514|5.492338|4.785664|7.554043|3.133746|3.896775|2.374855|2.106636|1.845347|1.775824|1.926186|2.237802|18.395267|1.559024|2.133587|0.064431|0.054508|0.056772|0.047474|0.051753|0.051977|0.050394|0.042019|0.042074|0.043075|0.063021|0.082790|0.109278|0.072785|0.150067|0.175916|0.226241|0.500000| |2.310103|2.084473|2.946317|2.051667|1.766800|16.092864|3.724113|3.814724|2.857056|3.041974|3.804099|4.714035|4.085263|3.182040|6.889125|13.172204|10.268500|8.780641|17.695478|12.427945|0.183230|7.456238|4.750069|5.847591|4.499537|6.575778|3.284381|3.905717|2.410295|2.097202|1.858147|1.824925|2.017375|2.344825|20.091142|1.603986|2.060773|0.072643|0.059955|0.064743|0.052358|0.056397|0.060062|0.057786|0.047203|0.046607|0.047907|0.074633|0.105940|0.120711|0.079524|0.155608|0.193944|0.176126|0.301542|0.500000| |1.969232|1.807224|2.587862|1.867996|1.635042|13.930329|3.333018|3.244952|2.382872|2.632524|3.221660|3.520625|2.974228|2.493118|4.640910|10.587380|5.993204|5.192493|7.027040|12.432015|0.181939|17.647327|8.848252|9.637430|5.883247|7.132007|4.880194|5.221379|3.144180|2.588081|2.270835|2.271765|2.613696|3.157448|29.952682|1.950071|2.434280|0.059895|0.051154|0.056405|0.046315|0.048312|0.055345|0.052833|0.044522|0.042866|0.044314|0.067682|0.096692|0.082720|0.062482|0.099702|0.150215|0.116033|0.150014|0.226614|0.500000| |1.927271|1.808279|2.632874|1.889829|1.660371|14.580204|3.536222|3.393350|2.527742|2.846449|3.584977|3.908925|3.178228|2.629209|5.482643|13.227692|7.096379|6.647559|7.113787|12.280333|0.220931|17.682214|8.781084|7.674366|4.941142|5.623850|4.170453|4.581329|2.824233|2.362445|2.099146|2.110346|2.414361|2.859385|26.640791|1.833418|2.229852|0.058742|0.049674|0.054558|0.046140|0.048724|0.056574|0.052475|0.045020|0.043237|0.045592|0.073063|0.110577|0.087182|0.065089|0.115447|0.234937|0.141478|0.142723|0.194029|0.302141|0.500000| |1.617334|1.522235|2.195503|1.609517|1.443392|11.872544|2.918127|2.770326|1.962486|2.180381|2.572565|2.658804|2.286017|1.997565|3.257769|7.065414|4.255533|3.669777|4.141978|7.635576|0.145842|9.052782|17.641610|12.414893|5.684985|4.972570|7.217126|6.684385|4.089600|3.153019|2.770156|2.859571|3.486086|4.417140|50.897673|2.389313|2.792251|0.048176|0.042224|0.046288|0.039570|0.040834|0.047857|0.045121|0.039718|0.037789|0.039477|0.057960|0.078964|0.062726|0.050646|0.075231|0.115180|0.089278|0.097674|0.115248|0.216909|0.213848|0.500000| |1.546113|1.463951|2.102170|1.519184|1.368792|11.529821|2.825081|2.729729|1.906166|2.085124|2.454621|2.605808|2.275743|1.971735|3.244447|6.718292|4.506102|4.172413|4.580262|9.306289|0.209138|8.827100|17.445351|12.271791|6.960677|5.734850|6.639307|6.821740|3.965175|3.150524|2.703506|2.686862|3.131135|3.932580|37.866855|2.248100|2.911205|0.046287|0.040545|0.043666|0.037941|0.039711|0.044901|0.042245|0.037382|0.035990|0.037696|0.054904|0.073786|0.063554|0.050365|0.080385|0.134980|0.105132|0.108968|0.116029|0.173130|0.212755|0.302785|0.500000| |1.473826|1.365519|1.901782|1.364185|1.232498|10.174845|2.437857|2.452170|1.648653|1.733674|1.973254|2.147969|1.989095|1.744851|2.556288|4.936377|3.685011|3.252223|4.126333|7.611749|0.145598|4.974053|5.704682|12.521934|17.675156|8.967428|7.512285|10.802798|5.089057|4.188968|3.241894|2.928007|3.186025|4.109768|31.791673|2.378122|4.350503|0.044037|0.039471|0.041600|0.035593|0.037136|0.039435|0.038556|0.033604|0.032936|0.033553|0.045310|0.056699|0.057446|0.045775|0.067750|0.089650|0.086515|0.115427|0.107208|0.132255|0.108955|0.127619|0.142398|0.500000| |1.463332|1.371027|1.926433|1.376179|1.244776|10.467504|2.522801|2.526237|1.707627|1.805877|2.075265|2.268256|2.078835|1.808278|2.754566|5.321008|4.057632|3.777443|4.570911|9.283173|0.208731|5.719184|6.959145|12.288126|17.460147|8.833900|6.755709|8.801498|4.448430|3.685212|2.948095|2.718454|2.981373|3.782040|30.424575|2.239921|3.756439|0.043872|0.038965|0.041037|0.035606|0.037468|0.039991|0.038520|0.033840|0.033137|0.034137|0.047118|0.059960|0.059982|0.047211|0.074458|0.108085|0.102363|0.123666|0.110757|0.133718|0.127754|0.141981|0.203093|0.303584|0.500000| |1.692508|1.557222|2.160225|1.518418|1.356083|11.708048|2.759988|2.849716|1.939712|2.012173|2.328170|2.660705|2.494298|2.117163|3.290674|6.098728|5.120518|4.857231|7.094123|12.350086|0.224897|5.627254|4.962229|7.690870|8.837751|17.623396|4.218206|5.440231|3.095978|2.716582|2.282352|2.134238|2.302471|2.764500|22.210759|1.825553|2.826940|0.051542|0.045242|0.047148|0.040056|0.042699|0.043773|0.042715|0.036536|0.036271|0.036989|0.051385|0.065386|0.074441|0.055557|0.093022|0.122571|0.132644|0.232135|0.161394|0.145028|0.126367|0.109159|0.128860|0.211806|0.215764|0.500000| |1.817537|1.651706|2.298202|1.633578|1.446410|12.273963|2.892121|2.940263|2.046464|2.154106|2.516398|2.837080|2.597844|2.205694|3.525297|6.871036|5.109836|4.541934|7.043626|12.418801|0.182232|7.081345|5.837366|9.547169|8.816465|17.629626|4.885732|5.871019|3.336442|2.829271|2.391801|2.281231|2.519719|3.067571|25.903556|1.939016|2.822714|0.055281|0.048324|0.051397|0.042517|0.044708|0.047301|0.046420|0.039178|0.038544|0.039137|0.055145|0.071600|0.075917|0.057183|0.089933|0.117353|0.113119|0.194897|0.196141|0.216296|0.144799|0.131216|0.133171|0.215409|0.172963|0.299884|0.500000| |1.015856|0.963529|1.343698|0.987128|0.920334|7.099038|1.744298|1.708996|1.097104|1.153746|1.254647|1.291328|1.212311|1.120711|1.426128|2.719257|1.960147|1.584101|1.734895|2.711625|0.055193|2.060114|2.406518|3.781606|2.644877|2.205545|3.437324|5.665759|5.691680|8.999826|17.699819|8.920125|5.660607|5.018511|24.489455|7.090110|7.006820|0.029443|0.027427|0.028876|0.025708|0.026142|0.028434|0.027875|0.025511|0.024701|0.025138|0.031223|0.036354|0.034051|0.029768|0.037578|0.045193|0.042860|0.047444|0.047355|0.056401|0.052499|0.066778|0.066039|0.079829|0.073035|0.058167|0.060091|0.500000| |1.148394|1.092172|1.547115|1.153375|1.070582|8.164767|2.028672|1.930609|1.271395|1.368451|1.501814|1.510940|1.382013|1.276094|1.675337|3.299261|2.226795|1.784610|1.937975|3.064745|0.061370|2.535208|3.089581|4.552466|2.795049|2.360508|4.302673|5.768526|5.598730|4.876936|5.627490|8.901556|17.728640|8.862686|44.175563|6.960451|3.518763|0.033229|0.030622|0.032997|0.029119|0.029337|0.033666|0.032583|0.029913|0.028425|0.029211|0.037428|0.044571|0.038087|0.033389|0.042023|0.052234|0.046871|0.050948|0.054099|0.070246|0.065527|0.094424|0.082394|0.078396|0.074644|0.059235|0.065292|0.124136|0.500000| |0.986137|0.938022|1.312172|0.974045|0.912529|6.885175|1.702502|1.646841|1.055911|1.116121|1.204679|1.221232|1.142715|1.066463|1.331172|2.551095|1.796829|1.424930|1.543941|2.367897|0.047654|1.849550|2.124604|3.202423|2.157641|1.870516|2.833630|4.212632|3.986355|4.595045|6.723695|8.849412|5.899871|4.330915|22.599168|17.552128|3.642429|0.028377|0.026588|0.028212|0.025163|0.025319|0.028104|0.027576|0.025470|0.024457|0.024877|0.030485|0.035096|0.031780|0.028275|0.034457|0.040815|0.038161|0.041749|0.042873|0.051499|0.047939|0.061183|0.057478|0.063162|0.058432|0.048792|0.051978|0.192759|0.151919|0.500000| |1.009127|0.963646|1.356855|1.011145|0.947509|7.140070|1.775491|1.699762|1.096837|1.168078|1.263618|1.271324|1.180106|1.101263|1.387393|2.679542|1.858455|1.473505|1.582362|2.437864|0.049216|1.943083|2.261944|3.321470|2.177828|1.887082|2.953769|4.210793|3.956095|4.140920|5.561362|8.834493|7.258654|4.754427|25.289068|17.587450|3.205283|0.029033|0.027082|0.028913|0.025837|0.025968|0.029320|0.028556|0.026502|0.025293|0.025879|0.032039|0.037099|0.032627|0.029065|0.035539|0.042659|0.039253|0.042293|0.043987|0.053817|0.050839|0.066599|0.061523|0.062234|0.059204|0.048722|0.052180|0.141505|0.221147|0.301812|0.500000| 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