Version2.0 2020-02-01T20:40:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN1CC[NH+](CC1)C2=C(N(C(=S)C23CCCCC3)c4ccccc4Cl)NC56CC7CC(C5)CC(C7)C6 C19831842 RHF 6-31G(d) (6D,7F) CN1CC[NH+](CC1)C2=C(N(C(=S)C23CCCCC3)c4ccccc4Cl)NC56CC7CC(C5)CC(C7)C6 C01[X(C30H42Cl1N4S1)] 228 C1 632 CN1CC[NH+](CC1)C1=C(NC23CC4CC(C3)CC(C2)C4)N(C(=S)C21CCCCC2)c1ccccc1Cl CN1CC[NH+](CC1)C1=C(NC23CC4CC(C3)CC(C2)C4)N(C(=S)C21CCCCC2)c1ccccc1Cl CN1CC[NH+](CC1)C2=C(NC34CC5CC(CC(C5)C3)C4)N(C(=S)C26CCCCC6)c7ccccc7Cl InChIKey=IGFQIQBRHJZYMQ-UHFFFAOYSA-O InChI=1S/C30H41ClN4S/c1-33-11-13-34(14-12-33)26-27(32-29-18-21-15-22(19-29)17-23(16-21)20-29)35(25-8-4-3-7-24(25)31)28(36)30(26)9-5-2-6-10-30/h3-4,7-8,21-23,32H,2,5-6,9-20H2,1H3/p+1 InChI=1/C30H41ClN4S/c1-33-11-13-34(14-12-33)26-27(32-29-18-21-15-22(19-29)17-23(16-21)20-29)35(25-8-4-3-7-24(25)31)28(36)30(26)9-5-2-6-10-30/h3-4,7-8,21-23,32H,2,5-6,9-20H2,1H3/p+1/fC30H42ClN4S/h34H/q+1 CN1CC[NH+](CC1)C2=C(N(C(=S)C23CCCCC3)c4ccccc4Cl)NC56CC7CC(C5)CC(C7)C6 C01[X(C30H42Cl1N4S1)] 228 C01 632 CN1CC[NH+](CC1)C1=C(NC23CC4CC(C3)CC(C2)C4)N(C(=S)C21CCCCC2)c1ccccc1Cl CN1CC[NH](CC1)C1=C(N[C@]23C[C@H]4C[C@@H](C3)C[C@@H](C2)C4)N(C(=S)C21CCCCC2)c1ccccc1Cl CN1CC[NH](CC1)C2=C(NC34CC5CC(CC(C5)C3)C4)N(C(=S)C26CCCCC6)c7ccccc7Cl InChIKey=SIBVTNVJZASWPT-SJNZTUBNSA-N InChI=1S/C30H42ClN4S/c1-33-11-13-34(14-12-33)26-27(32-29-18-21-15-22(19-29)17-23(16-21)20-29)35(25-8-4-3-7-24(25)31)28(36)30(26)9-5-2-6-10-30/h3-4,7-8,21-23,32,34H,2,5-6,9-20H2,1H3/t21-,22+,23-,29- InChI=1/C30H42ClN4S/c1-33-11-13-34(14-12-33)26-27(32-29-18-21-15-22(19-29)17-23(16-21)20-29)35(25-8-4-3-7-24(25)31)28(36)30(26)9-5-2-6-10-30/h3-4,7-8,21-23,32,34H,2,5-6,9-20H2,1H3/t21-,22+,23-,29- 4814.4399143743 -2235.0737117 1-A 17239.7958 141 491 632 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1015.87 1021.26 1034.55 1062.07 1082.44 1106.02 1135.41 1169.83 1185.44 1212.04 1224.71 1227.50 1237.01 1251.12 1259.13 1278.14 1292.98 1313.67 1322.50 1356.01 1400.12 1403.97 1410.73 1415.95 1431.65 1441.53 1444.70 1453.88 1468.45 1469.04 1471.70 1475.80 1532.47 1550.95 1555.46 1567.73 1579.62 1602.64 1612.05 1630.71 1636.36 1637.99 1638.66 1640.01 1650.00 1652.29 1656.63 1661.75 1673.66 1684.33 1708.61 1715.06 1721.77 1731.94 1756.30 1762.42 1770.95 1771.72 1778.08 1782.89 1788.85 1795.20 1804.88 1834.42 1850.30 1864.09 1871.02 1882.63 1897.29 1903.25 1904.16 1912.15 1968.15 1975.80 1991.46 2025.62 2030.33 2044.09 2051.48 2055.71 2071.11 2086.02 2087.44 2089.63 2094.35 2100.96 2112.02 2136.82 2138.19 2141.45 2143.23 2144.56 2149.53 2158.11 2172.37 2188.77 2191.38 2197.48 2200.05 2202.43 2208.86 2211.50 2213.06 2216.99 2218.17 2256.82 2272.02 2317.07 2329.70 2337.24 2346.99 2349.66 2350.33 2354.98 2356.39 2360.88 2364.04 2368.46 2371.10 2374.73 2375.11 2379.66 2382.25 2383.85 2386.12 2389.30 2393.37 2396.45 2418.36 2552.96 2583.19 2726.75 4469.87 4481.87 4514.50 4552.54 4583.11 4587.09 4592.32 4599.70 4603.58 4608.25 4612.72 4628.06 4636.50 4641.56 4642.58 4648.25 4649.58 4656.44 4659.93 4660.83 4667.31 4674.63 4682.78 4686.51 4691.98 4705.46 4719.19 4723.79 4725.70 4733.57 4743.69 4756.22 4764.87 4794.50 4870.18 4889.95 4893.82 4908.00 4914.04 4968.21 5359.77 5441.66 0.741626 0.770941 0.771885 0.680798 -2234.332086 -2234.302771 -2234.301827 -2234.392914 3.055073D-04 MUNgauss RevisionA2.0 retrievium 01-Feb-2020 DUDE CN1CC[NH+](CC1)C2=C(N(C(=S)C23CCCCC3)c4ccccc4Cl)NC56CC7CC(C5)CC(C7)C6 C19831842 RHF 6-31G(d) (6D,10F) C1 525.281872 |X|Y|Z| 91.190340 82.581669 45.873147 70.166585 33 6 7 29 4 |36.858105| |13.114477|53.358707| |7.897810|17.945321|36.858105| |5.082496|10.632148|12.532538|36.858105| |4.471269|9.049190|7.694961|12.600550|53.358707| |4.405439|8.378985|7.382163|9.441024|25.778656|0.500000| |5.091148|10.673351|6.664163|7.705382|17.206653|0.262219|36.858105| |7.895332|17.948913|8.001310|6.644288|10.481948|0.205369|12.536344|36.858105| |3.337230|6.047027|4.994375|7.576675|17.677614|0.269126|7.527940|4.981452|36.858105| |2.945164|5.165253|4.198779|6.217084|10.347385|0.164871|5.624483|4.006350|14.306483|36.858105| |2.441138|4.076208|3.289494|4.412319|7.083552|0.128093|4.146526|3.178953|8.529590|13.359982|53.358707| |2.378698|3.923043|3.168987|4.079204|6.914287|0.135631|4.028620|3.147613|8.135871|8.269389|19.087933|36.858105| |1.998636|3.176875|2.532231|3.059356|4.894473|0.099901|3.049432|2.528389|4.831439|4.901237|9.703933|11.664286|388.023441| |2.820061|4.785234|3.906212|5.092707|10.003000|0.211006|5.325269|4.008158|12.511872|8.041012|11.045687|12.403940|48.091197|36.858105| |2.682855|4.426673|3.383203|4.021070|7.817420|0.171050|5.094367|3.929683|7.329167|5.432495|7.486850|7.539082|40.975916|12.247782|36.858105| 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|2.053352|3.286019|2.693480|3.414731|4.709754|0.088189|2.882726|2.417053|4.427948|5.853838|10.568888|5.667563|34.711767|4.225681|3.283731|2.682475|2.585922|2.935763|3.808712|13.727018|7.973051|6.900650|7.972612|13.759145|36.858105| |2.273626|3.656805|3.151612|4.081198|5.241890|0.099371|3.042743|2.609212|4.692948|5.733984|8.550563|5.119933|30.059497|4.338585|3.229080|2.747800|2.745936|3.296798|4.294424|6.976199|4.752049|4.228488|4.782423|7.073511|10.912808|448.794386| |2.998204|5.234908|4.180203|6.082175|8.356913|0.132259|5.097991|3.823453|7.726289|13.638461|10.486162|5.261187|26.442044|5.096706|3.957049|3.282594|2.931800|3.309609|4.032537|6.328377|4.827391|3.848197|3.667725|4.193940|5.561503|44.091634|53.358707| |2.781187|4.697396|3.486443|4.513010|6.312747|0.104192|4.486377|3.469351|5.304256|7.370441|7.537452|4.111186|22.444119|3.939459|3.392035|2.871778|2.521270|2.719784|3.160476|5.114091|4.515356|3.739836|3.464882|3.699563|4.438995|32.457767|17.294585|36.858105| |2.649558|4.320459|3.233472|3.982129|5.077555|0.086912|3.602066|3.022304|3.972850|5.049815|5.627574|3.236994|18.665380|3.114647|2.704917|2.382094|2.161418|2.352279|2.672145|4.136349|3.714037|3.336271|3.275549|3.540758|3.993339|30.501316|10.746426|12.375008|36.858105| |2.379028|3.740929|2.697382|3.126031|4.099755|0.072214|3.061507|2.652963|3.144109|3.757098|4.447458|2.683924|16.117230|2.588863|2.351172|2.103530|1.901933|2.020321|2.242455|3.316828|3.187901|2.969424|2.874757|2.958632|3.168974|23.667852|6.825738|7.535021|12.392838|36.858105| |2.597084|4.065136|2.793869|3.136243|4.189427|0.073670|3.325825|2.914455|3.088078|3.505479|4.062101|2.534939|15.201224|2.532802|2.368814|2.159933|1.923906|2.012459|2.182644|2.890347|2.788460|2.551745|2.426348|2.485384|2.699214|20.612271|6.038921|6.425540|7.597166|12.408458|36.858105| |2.717639|4.368229|2.946914|3.369692|4.797270|0.083179|3.978152|3.304766|3.595796|4.056250|4.624430|2.890404|17.023414|2.915687|2.786605|2.501680|2.161486|2.224693|2.421273|3.167033|3.082382|2.718696|2.499168|2.536222|2.821661|21.151236|6.716861|7.536896|6.491159|7.608521|12.408162|36.858105| |3.142213|5.377843|3.691774|4.527536|6.623743|0.108262|5.443699|4.111380|5.024654|5.857213|6.000265|3.618582|20.109601|3.736503|3.433879|3.010520|2.565554|2.692526|2.990169|3.858859|3.551483|2.993679|2.751867|2.878352|3.360959|25.639648|10.356558|12.429000|7.654399|6.503454|7.606247|12.380579|36.858105| |2.272591|3.587182|2.485361|2.850625|4.159341|0.073961|3.326053|2.765027|3.286269|3.778795|4.631875|2.897199|17.542214|2.800563|2.723276|2.389578|2.062414|2.093655|2.308205|3.292204|3.399605|3.022675|2.687939|2.626483|2.861393|20.421248|5.923372|6.422664|5.370138|6.471419|7.586781|12.418848|7.588237|36.858105| |2.122854|3.359629|2.417403|2.843714|4.072004|0.072492|3.062222|2.539355|3.353810|4.099366|5.227662|3.124690|18.985487|2.876230|2.695750|2.313419|2.035092|2.102293|2.378906|3.967737|4.210544|3.796343|3.340162|3.204751|3.440029|23.379019|6.662274|7.537902|6.483925|7.604085|6.486685|7.624782|6.498867|12.421095|36.858105| |2.062800|3.214082|2.329849|2.698414|3.679322|0.065922|2.732055|2.347759|2.930658|3.533987|4.455062|2.689443|16.556000|2.506997|2.312244|2.035019|1.832995|1.920374|2.151569|3.463308|3.544918|3.382056|3.176231|3.107403|3.227742|22.669102|6.000811|6.429279|7.591076|12.406768|7.599945|6.490225|5.385805|7.588934|12.406280|36.858105| |2.307946|3.759563|2.780651|3.442467|5.022332|0.087354|3.599836|2.855652|4.420318|5.986159|7.531719|4.112783|23.589376|3.654482|3.268471|2.698280|2.361656|2.483533|2.911388|5.675597|5.725215|4.674297|4.025933|3.992887|4.587290|29.922929|10.147784|12.394708|7.628844|6.492304|5.376986|6.490769|7.632736|7.584744|12.381220|7.602869|36.858105| |17.457512|12.186414|6.957928|4.564228|5.672935|0.120588|4.565280|6.950634|3.156119|2.741044|3.160081|2.310899|13.988235|2.766118|2.663026|2.978437|2.908310|3.131948|2.784921|2.020951|1.812411|1.624630|1.592508|1.725755|1.955610|17.451977|3.695954|2.491215|2.356862|2.121700|2.282998|2.401569|2.758457|2.059813|1.939519|1.874569|2.113761|0.500000| |17.601798|12.459856|5.703915|4.223694|5.367792|0.106516|4.770658|7.207764|3.053378|2.735062|3.116149|2.227411|13.432349|2.606957|2.543769|2.756124|2.567540|2.690026|2.500715|2.008107|1.824452|1.637053|1.593056|1.707948|1.923418|16.730951|3.813310|2.687741|2.560255|2.358526|2.639562|2.777927|3.122700|2.309607|2.114989|2.050781|2.256131|0.299973|0.500000| |17.602592|12.461610|7.207298|4.763862|5.367325|0.106474|4.233196|5.703748|3.055837|2.778518|3.156561|2.233053|13.440970|2.585767|2.416978|2.566396|2.479819|2.719407|2.557142|2.055227|1.837203|1.659972|1.642886|1.790144|2.017333|18.123974|3.943762|2.694494|2.651218|2.382213|2.573205|2.609834|2.975952|2.181134|2.061906|2.042635|2.228954|0.299996|0.302210|0.500000| |6.938900|12.245009|17.381063|8.829242|9.340136|0.215262|5.766964|7.088658|4.665805|3.805151|4.239546|3.119647|18.060472|3.933110|3.448977|3.762242|3.835350|4.719592|4.187810|2.614369|2.242103|1.971041|1.947561|2.173349|2.553931|24.115289|4.914561|3.018720|2.782925|2.360994|2.427123|2.574226|3.151608|2.233129|2.181745|2.089332|2.501271|0.201921|0.141678|0.171401|0.500000| |7.305627|12.501824|17.594293|9.011824|7.628082|0.148088|4.978417|5.741383|4.132960|3.709465|4.057169|2.827985|16.428544|3.325936|2.880670|2.959348|2.924282|3.468707|3.375287|2.590181|2.220351|1.979227|1.983360|2.229563|2.590767|24.726693|5.255894|3.277204|3.193206|2.672627|2.736097|2.783600|3.388873|2.347290|2.307639|2.279483|2.618867|0.175676|0.147524|0.223004|0.302327|0.500000| |4.172138|7.663625|8.788714|17.642640|12.364880|0.226276|5.625229|4.980881|7.186832|6.147307|6.290260|4.312273|23.084363|5.246779|3.915565|3.726256|3.708209|4.859839|5.403369|3.752754|2.988885|2.565525|2.571865|3.005547|3.758138|39.033170|7.868511|4.129955|3.731798|2.913992|2.826260|2.981588|3.879112|2.607898|2.676884|2.562401|3.269547|0.108968|0.097476|0.112398|0.215088|0.211898|0.500000| |4.722905|9.518975|8.803887|17.728016|12.368925|0.183240|7.019133|5.819659|6.817360|6.556112|6.078278|3.880909|20.793158|4.505748|3.634526|3.403163|3.145511|3.706631|4.051850|3.688989|3.028743|2.594462|2.558118|2.912133|3.568186|33.414215|10.355183|5.595949|5.028926|3.755810|3.744511|3.953917|5.541473|3.223801|3.232355|3.113878|3.942702|0.112928|0.113580|0.127388|0.172857|0.215665|0.300807|0.500000| |4.171964|7.673821|4.972123|5.612600|12.329525|0.223690|17.671738|8.774641|7.107355|5.272435|5.644797|4.209630|22.919518|5.677684|6.179763|6.336352|4.556532|4.438994|4.392121|3.206315|2.873846|2.388382|2.201898|2.336245|2.785794|22.872130|6.158879|4.119265|3.251383|2.840163|3.085368|3.792453|4.975038|3.318746|3.019134|2.623113|3.523689|0.108622|0.112580|0.097561|0.129166|0.109199|0.126636|0.143829|0.500000| |4.778457|9.698147|5.909683|7.089349|12.427840|0.183649|17.790276|8.888166|6.748617|5.833497|5.671492|3.818711|20.649643|4.645871|4.357869|4.147614|3.407862|3.593380|3.742597|3.330775|2.938879|2.468562|2.311141|2.481443|2.960201|24.597470|7.986273|5.521567|4.310529|3.640224|4.082606|5.061442|7.552647|3.961019|3.554407|3.158797|4.165664|0.113858|0.128612|0.114985|0.134534|0.132170|0.144515|0.212960|0.301215|0.500000| |7.303325|12.501029|5.740843|4.963307|7.631834|0.148287|9.006282|17.594708|4.119373|3.483653|3.866175|2.801381|16.391283|3.435967|3.507666|3.873990|3.309735|3.329135|3.096262|2.387145|2.169164|1.892286|1.797191|1.911719|2.198486|18.631590|4.627383|3.251418|2.861083|2.598028|2.940486|3.367102|4.000837|2.799149|2.499625|2.308121|2.729199|0.175485|0.223014|0.147533|0.143974|0.128062|0.109218|0.130263|0.212659|0.216411|0.500000| |6.923025|12.232614|7.088656|5.767002|9.365623|0.216194|8.820467|17.379952|4.661961|3.655847|4.107781|3.101544|18.048510|4.050117|4.087120|4.914227|4.378891|4.511853|3.864492|2.483135|2.211325|1.918523|1.834492|1.977590|2.303573|20.089652|4.577179|3.008889|2.638085|2.329955|2.510624|2.819920|3.420353|2.444480|2.277126|2.103829|2.560592|0.201187|0.171147|0.141442|0.209254|0.143917|0.129994|0.133302|0.213038|0.173586|0.302205|0.500000| |2.335992|3.746085|2.874664|3.348434|5.991119|0.130146|3.953270|3.218732|5.522131|4.573443|6.905146|7.368049|48.789960|8.920655|17.601305|8.945218|6.838688|5.634029|6.649900|3.885393|3.597498|2.898555|2.580438|2.678294|3.207637|24.717937|4.694405|3.015271|2.455324|2.162943|2.155216|2.501798|2.985953|2.506249|2.517478|2.165398|3.013041|0.064804|0.061844|0.059254|0.081892|0.069764|0.092940|0.085492|0.127903|0.097715|0.081542|0.093206|0.500000| |2.673797|4.429418|3.261105|3.874145|7.522235|0.151810|5.415725|3.996551|7.011693|5.580916|7.467635|6.691117|36.366307|8.767566|17.543521|8.766743|5.475208|4.816751|5.452145|4.009878|3.717194|2.934675|2.580756|2.668524|3.221715|24.581249|5.660459|3.728000|2.883683|2.536250|2.591851|3.150537|3.897938|3.115816|3.019486|2.517358|3.658291|0.072464|0.071703|0.066749|0.089588|0.077487|0.101336|0.101064|0.194728|0.133580|0.102118|0.111043|0.304308|0.500000| |2.640115|4.137498|3.018441|3.236701|5.818937|0.134318|4.326025|3.805305|4.386603|3.497705|4.639890|4.107412|26.291799|5.422831|8.912314|17.564174|8.826100|5.509193|4.834211|2.752347|2.570444|2.176289|1.991179|2.069944|2.403416|19.367560|3.903339|2.598982|2.176714|1.962757|2.031305|2.358903|2.756637|2.286626|2.189643|1.919960|2.497002|0.075204|0.070900|0.064850|0.088427|0.071736|0.085792|0.080921|0.149578|0.100894|0.098645|0.118123|0.219921|0.213118|0.500000| |3.445276|5.699234|4.137830|4.428664|8.826727|0.222486|6.672367|5.698832|5.833246|4.212822|5.122953|4.337535|25.141135|6.444807|8.712444|17.490087|8.868925|6.813542|5.637664|2.937202|2.641193|2.219586|2.059533|2.187779|2.590771|21.618147|4.663481|3.011932|2.499780|2.204952|2.302495|2.680318|3.264207|2.492702|2.369999|2.096286|2.745825|0.097971|0.090493|0.082067|0.122403|0.093204|0.112501|0.105808|0.240887|0.138494|0.137374|0.186997|0.173576|0.210799|0.305817|0.500000| |2.393280|3.698685|2.910750|3.148826|5.271624|0.127361|3.431647|3.126112|4.108464|3.328845|4.652035|4.373878|30.253961|5.651055|6.833819|8.866845|17.534349|8.878497|6.810930|2.812537|2.551392|2.192156|2.059096|2.188048|2.549147|21.349260|3.676538|2.346819|2.023181|1.793168|1.798121|2.011231|2.351703|1.953332|1.946577|1.751430|2.250363|0.069359|0.062255|0.060515|0.088723|0.070766|0.089638|0.076793|0.104976|0.081860|0.078007|0.097505|0.203429|0.139879|0.214350|0.174022|0.500000| |2.811253|4.279076|3.316317|3.371979|5.612037|0.142856|3.802453|3.713556|3.910161|3.099326|4.059414|3.541511|22.976561|4.713948|5.481582|8.820501|17.559067|8.823803|5.482459|2.467684|2.231361|1.938166|1.839492|1.963700|2.273162|19.477311|3.541005|2.280067|1.988927|1.770770|1.807334|2.014656|2.353222|1.910565|1.867303|1.698448|2.127484|0.084087|0.072653|0.069488|0.105263|0.079022|0.093246|0.080326|0.115333|0.087540|0.091794|0.124270|0.140662|0.122854|0.212098|0.215331|0.303491|0.500000| |2.735230|4.245031|3.642124|3.899140|6.003608|0.153760|3.541939|3.361573|4.374418|3.508923|4.688344|4.139956|26.589397|5.403386|4.831958|5.508489|8.819219|17.564644|8.927336|2.858624|2.468791|2.150301|2.098278|2.321080|2.741025|25.113819|3.950423|2.414858|2.139711|1.851624|1.832421|1.993236|2.366407|1.885436|1.906194|1.764033|2.224583|0.080514|0.068247|0.070308|0.118149|0.088970|0.119215|0.090195|0.098973|0.084150|0.080121|0.105704|0.126830|0.106476|0.123385|0.139603|0.215576|0.210957|0.500000| |3.581326|5.866045|5.176713|5.486704|9.100548|0.281988|5.043294|4.822844|5.719918|4.173470|5.104382|4.305813|25.064521|6.305786|5.530368|6.742704|8.843851|17.437485|8.656094|2.988630|2.551729|2.187939|2.117616|2.345410|2.814261|25.853906|4.669254|2.810497|2.449940|2.094911|2.108078|2.320781|2.833484|2.137030|2.123258|1.956471|2.494700|0.105665|0.087169|0.088995|0.177257|0.116836|0.159569|0.117846|0.136653|0.111917|0.107834|0.159077|0.129067|0.124263|0.139048|0.198255|0.173963|0.216343|0.307183|0.500000| |2.804778|4.625959|4.173663|5.331989|8.110318|0.186394|4.120441|3.533637|7.088823|5.690331|7.689171|6.797890|36.704281|8.732937|5.453437|4.842510|5.474751|8.754657|17.544456|4.359197|3.418842|2.864092|2.822649|3.283963|4.218068|42.054830|5.868742|3.259512|2.818612|2.321005|2.224084|2.417908|2.997640|2.282704|2.387625|2.200618|2.940220|0.078049|0.069630|0.073588|0.123446|0.102511|0.183192|0.123448|0.110204|0.101584|0.082711|0.101735|0.137267|0.122829|0.106648|0.126568|0.139424|0.122834|0.212402|0.210473|0.500000| |2.389518|3.819604|3.200504|3.805655|6.171931|0.141831|3.541047|3.047561|5.554732|4.619916|7.032525|7.484963|49.454649|8.918778|6.654523|5.638192|6.820588|8.976908|17.612275|4.086614|3.422484|2.858878|2.730980|3.034015|3.744810|32.646456|4.774737|2.841654|2.431715|2.073503|2.004346|2.212416|2.663979|2.153877|2.239888|2.024954|2.712248|0.067197|0.060974|0.062084|0.094687|0.079088|0.117396|0.092828|0.101654|0.087487|0.074031|0.089414|0.192648|0.137357|0.126168|0.130491|0.201906|0.140346|0.222576|0.173500|0.304910|0.500000| |1.904360|3.031046|2.318686|2.818498|4.335006|0.081345|2.922420|2.373131|4.156302|5.154642|9.840813|6.008947|40.713525|4.262280|3.873149|2.956173|2.634400|2.710727|3.362752|8.972087|17.761008|8.920421|5.651308|4.958103|5.674462|31.518656|6.155612|4.415811|3.506536|3.099694|2.800104|3.202290|3.656645|3.635620|4.372761|3.488894|5.810170|0.050438|0.051125|0.050603|0.061360|0.059961|0.079042|0.081268|0.084462|0.084127|0.062106|0.062796|0.109713|0.116270|0.076924|0.077383|0.073494|0.063926|0.068105|0.070915|0.090770|0.094097|0.500000| |1.583876|2.449983|1.880829|2.210179|3.198349|0.061023|2.176991|1.860740|2.832923|3.375440|5.679287|3.650158|27.048954|2.858463|2.615282|2.161291|2.014798|2.093426|2.497644|5.647098|8.947514|17.740735|8.903883|5.645850|4.968315|27.413956|4.469979|3.311760|2.986295|2.766607|2.412607|2.575031|2.750567|2.933143|3.646511|3.228757|4.200790|0.042070|0.042623|0.042858|0.049953|0.050042|0.062927|0.064183|0.061397|0.062900|0.049192|0.049464|0.074639|0.075617|0.057071|0.057290|0.056699|0.050267|0.054524|0.055322|0.069757|0.070976|0.215182|0.500000| |1.534657|2.353434|1.846712|2.161134|2.983639|0.057220|1.984818|1.736609|2.570795|3.050367|4.910194|3.135938|22.720954|2.543758|2.241587|1.913506|1.844086|1.977518|2.350882|4.946753|5.652916|8.903732|17.734903|8.953899|5.667155|31.726793|4.204680|2.986835|2.911320|2.635317|2.232651|2.265406|2.435918|2.442159|2.999656|2.928679|3.430944|0.040805|0.040875|0.042189|0.049079|0.050202|0.063146|0.062934|0.054497|0.057163|0.045492|0.046251|0.063049|0.062806|0.049876|0.051271|0.051615|0.046442|0.052587|0.052748|0.068370|0.066557|0.124144|0.214240|0.500000| |1.745118|2.701370|2.194876|2.625303|3.483431|0.066701|2.220081|1.948800|2.998208|3.599711|5.659785|3.523995|24.052339|2.899875|2.414269|2.077623|2.047315|2.291186|2.782413|5.639157|4.957732|5.639544|8.895634|17.756576|8.944544|54.474452|5.019711|3.265542|3.260242|2.752178|2.316220|2.315941|2.598229|2.362220|2.829871|2.833161|3.396266|0.046382|0.045657|0.048423|0.058244|0.060409|0.079797|0.076320|0.059455|0.063462|0.050032|0.051910|0.066525|0.065879|0.052882|0.056106|0.056597|0.051359|0.061420|0.061593|0.085187|0.077516|0.107668|0.123968|0.214883|0.500000| |2.755253|4.664662|3.834559|5.395302|6.866850|0.115203|4.139884|3.309915|6.143781|9.684411|9.744592|4.896945|25.745015|4.514039|3.483913|2.932349|2.709323|3.104536|3.813081|6.806968|4.954620|4.098383|4.109372|4.973792|6.778469|55.799973|25.912246|9.264468|7.859957|4.866528|4.046213|4.199373|5.724139|3.824311|4.495222|4.311134|6.542351|0.069957|0.071084|0.075458|0.093459|0.102165|0.154314|0.182344|0.103178|0.127244|0.082138|0.082674|0.086959|0.098896|0.071659|0.083706|0.070303|0.067123|0.077500|0.088585|0.117456|0.094104|0.121525|0.094863|0.095211|0.122294|0.500000| |2.403279|3.860844|2.976296|3.669015|4.639298|0.081157|3.169316|2.696285|3.732897|4.833324|5.727408|3.248675|19.048502|3.022259|2.583482|2.260682|2.086927|2.292089|2.642074|4.506549|4.002063|3.707158|3.783497|4.183732|4.607452|34.474636|9.822085|8.807211|17.501258|8.809712|5.512552|4.852551|5.536646|4.448041|5.730289|6.929420|6.952142|0.060328|0.063925|0.067260|0.072555|0.082582|0.099926|0.124234|0.080504|0.100941|0.070321|0.066858|0.066189|0.075259|0.057358|0.064895|0.054825|0.053173|0.058562|0.065565|0.078536|0.067639|0.100672|0.090376|0.093026|0.107641|0.236770|0.500000| |2.982984|4.900146|3.688953|4.509984|5.381363|0.091511|3.809042|3.281652|3.970542|4.793777|5.164569|3.063333|17.614729|3.058590|2.641630|2.381439|2.182384|2.404449|2.686160|3.666234|3.219394|2.901391|2.897701|3.199614|3.634111|29.847682|9.974068|8.819707|17.528283|8.780176|6.914614|5.729842|6.971944|4.446078|4.848353|5.504099|5.528995|0.072442|0.079248|0.084327|0.085779|0.103639|0.115243|0.167128|0.092239|0.127467|0.085507|0.078455|0.066000|0.077137|0.060058|0.070405|0.056174|0.056221|0.060898|0.070832|0.079627|0.067030|0.084670|0.072375|0.072279|0.083911|0.203016|0.302375|0.500000| |2.256680|3.473150|2.523238|2.858109|3.657970|0.065457|2.705905|2.416788|2.761539|3.228356|3.892179|2.392749|14.625513|2.314377|2.101837|1.906701|1.750137|1.866634|2.054207|2.942077|2.823052|2.702812|2.688346|2.782360|2.908408|22.201607|5.688947|5.503224|8.868610|17.552555|8.819813|5.520181|4.875617|4.846500|5.517595|8.816076|4.869435|0.056036|0.062066|0.063769|0.061636|0.070870|0.075012|0.094379|0.069498|0.087409|0.065788|0.059490|0.054115|0.062099|0.049540|0.055427|0.045966|0.045574|0.048031|0.053859|0.059509|0.053029|0.075341|0.070307|0.069768|0.073633|0.117534|0.214329|0.213534|0.500000| |2.338815|3.561578|2.438039|2.670890|3.592733|0.064513|2.861448|2.570114|2.648013|2.950850|3.533240|2.249700|13.805852|2.238188|2.128972|1.959087|1.753383|1.815765|1.951526|2.548020|2.512263|2.344842|2.229777|2.248800|2.392606|18.167822|4.854300|4.815536|5.510212|8.802753|17.539831|8.805121|5.513552|6.920001|5.733064|6.929568|4.451974|0.057677|0.066770|0.064528|0.059788|0.066645|0.067674|0.086032|0.075138|0.094669|0.073050|0.062443|0.054435|0.064597|0.051787|0.057694|0.045819|0.046054|0.046261|0.052574|0.054959|0.050299|0.070519|0.062643|0.057832|0.058602|0.092303|0.123259|0.141259|0.212227|0.500000| |2.905496|4.526672|3.060940|3.358378|4.336747|0.076124|3.477401|3.139531|3.072539|3.397231|3.858370|2.438817|14.565870|2.492610|2.319240|2.154250|1.933543|2.038177|2.181870|2.701903|2.549672|2.332022|2.251136|2.347337|2.566402|20.294675|5.848719|5.682868|6.910233|8.788243|17.517001|8.790159|6.920264|5.503942|4.846792|5.507708|4.448404|0.069602|0.082343|0.081018|0.072581|0.084465|0.082756|0.113278|0.087166|0.119610|0.088247|0.074021|0.058200|0.069643|0.055989|0.064565|0.049801|0.050813|0.051645|0.060102|0.062161|0.055186|0.070578|0.060871|0.057670|0.061536|0.109314|0.141253|0.206903|0.212896|0.303244|0.500000| |2.823525|4.464304|2.902770|3.197407|4.603432|0.081023|4.017077|3.439208|3.328826|3.565976|4.100142|2.655062|15.828957|2.746844|2.701169|2.487682|2.134559|2.165314|2.303906|2.767422|2.699416|2.394536|2.206825|2.237642|2.479041|18.906860|5.585018|5.507138|4.870458|5.520094|8.821028|17.541341|8.864939|8.819724|5.525818|4.854200|4.867045|0.069019|0.082213|0.074465|0.070765|0.075700|0.077673|0.101696|0.107763|0.141539|0.101105|0.080946|0.067173|0.085169|0.065919|0.074993|0.054917|0.055878|0.053878|0.063140|0.063270|0.058455|0.078647|0.063608|0.056046|0.057249|0.097863|0.106994|0.128430|0.123469|0.212153|0.213217|0.500000| |3.750093|6.647570|4.411476|5.336709|7.323938|0.117261|6.253367|4.852233|5.002681|5.447488|5.431508|3.371255|18.769970|3.630494|3.301025|3.004704|2.596019|2.764900|3.001178|3.459794|3.106219|2.663507|2.511851|2.679940|3.129601|25.165755|9.628132|8.866832|7.035862|5.796308|7.008107|8.847224|17.542860|5.521739|4.872271|4.481835|5.538029|0.088546|0.103106|0.098793|0.100291|0.112445|0.120503|0.192738|0.145471|0.264008|0.130056|0.107168|0.078929|0.101149|0.075676|0.092744|0.065167|0.066891|0.067568|0.082899|0.084604|0.073128|0.087246|0.067827|0.062294|0.068519|0.152264|0.142878|0.211781|0.129641|0.142570|0.210278|0.214601|0.500000| |3.132172|5.402782|3.667437|4.489551|7.272332|0.118890|6.338499|4.439094|5.684061|6.250576|6.447090|4.010872|21.934818|4.246054|4.059531|3.485810|2.854604|2.927045|3.247619|3.936989|3.664054|3.006610|2.700119|2.795587|3.299917|24.902516|9.303649|8.810913|5.530273|4.854921|5.520120|8.818101|17.516920|6.922910|5.730403|4.452147|6.925710|0.077647|0.086819|0.080304|0.089001|0.090614|0.106519|0.142687|0.173167|0.241935|0.120580|0.103361|0.095917|0.134483|0.088809|0.105524|0.072318|0.072060|0.070231|0.084891|0.087803|0.080093|0.108748|0.077199|0.066089|0.069448|0.141496|0.123446|0.142067|0.107036|0.123369|0.141613|0.214913|0.300183|0.500000| |2.090556|3.222893|2.222162|2.485290|3.573704|0.064718|2.862152|2.464871|2.771898|3.110752|3.895109|2.495718|15.518637|2.419761|2.379997|2.128840|1.858254|1.875818|2.041225|2.814686|2.938993|2.700150|2.430306|2.352666|2.504546|18.030894|4.791777|4.812525|4.445164|5.715427|6.914348|8.808492|5.506477|17.539361|8.799684|6.910492|5.502859|0.052838|0.059546|0.056080|0.055884|0.058906|0.063614|0.077178|0.079483|0.092666|0.070178|0.061106|0.061590|0.074693|0.057212|0.061559|0.049139|0.048280|0.047378|0.053167|0.056113|0.053350|0.086756|0.074160|0.062522|0.059559|0.088721|0.105923|0.105864|0.127613|0.207450|0.141347|0.212257|0.123505|0.141486|0.500000| |2.257879|3.574811|2.465380|2.825912|4.281646|0.076702|3.478445|2.841777|3.433625|3.860246|4.814975|3.078809|18.687349|2.985188|2.994362|2.597373|2.196330|2.190429|2.412218|3.336555|3.500852|3.041153|2.642084|2.562532|2.820016|19.997376|5.676536|5.685042|4.445714|4.839831|5.502548|8.791994|6.900144|17.513199|8.794485|5.503656|6.900811|0.057381|0.063879|0.059370|0.062253|0.063700|0.071730|0.086676|0.100028|0.113099|0.080317|0.070394|0.076564|0.097918|0.069759|0.074880|0.057903|0.056280|0.054387|0.061634|0.065118|0.062737|0.108206|0.082671|0.066334|0.063523|0.100138|0.105912|0.105911|0.106607|0.141338|0.123032|0.212907|0.141131|0.207112|0.303224|0.500000| |1.911024|2.984560|2.158035|2.508530|3.624142|0.065808|2.706201|2.273156|3.013036|3.614952|4.874433|2.983695|18.785926|2.689864|2.562415|2.192023|1.936652|1.980535|2.241512|3.818027|4.321940|4.034357|3.439258|3.159781|3.291310|21.806471|5.529397|5.506156|4.865149|5.519126|4.854132|5.526945|4.870622|8.824784|17.547244|8.822888|8.867628|0.049060|0.052937|0.051513|0.054938|0.057251|0.066519|0.077311|0.075486|0.084778|0.062310|0.057559|0.067827|0.079597|0.058279|0.061515|0.052066|0.049369|0.050193|0.054937|0.062057|0.059574|0.127763|0.112368|0.086919|0.077067|0.106342|0.128395|0.106915|0.123448|0.127921|0.106720|0.123519|0.107237|0.128264|0.212154|0.212973|0.500000| |1.934450|3.001056|2.219810|2.583690|3.489518|0.063100|2.520625|2.178680|2.820322|3.443020|4.489520|2.689213|16.791379|2.451287|2.230540|1.953883|1.783109|1.882298|2.129756|3.661038|3.788628|3.770060|3.628859|3.505293|3.514062|24.059012|5.791629|5.689791|6.905744|8.790404|5.508710|4.849975|4.456714|5.506273|8.794239|17.522585|6.924978|0.049237|0.052928|0.053499|0.055758|0.060745|0.069636|0.082032|0.067249|0.079235|0.058869|0.054879|0.058656|0.066521|0.051083|0.055354|0.047660|0.045774|0.048385|0.052905|0.061046|0.056161|0.100107|0.099434|0.093735|0.088880|0.121754|0.207480|0.141114|0.212810|0.141492|0.123058|0.106744|0.106601|0.105982|0.141280|0.123078|0.213244|0.500000| |1.921358|2.940155|2.107231|2.380963|3.250623|0.059042|2.451481|2.151255|2.545005|2.967707|3.786470|2.357013|14.811695|2.219783|2.086699|1.862879|1.682581|1.746151|1.928725|2.921379|3.033046|2.952039|2.780639|2.686688|2.744091|19.552584|4.833786|4.816430|5.508480|8.805066|6.929384|5.733066|4.455807|6.916565|8.798990|17.537478|5.510912|0.048645|0.053581|0.052942|0.052865|0.057487|0.062742|0.075172|0.065910|0.077959|0.059524|0.053835|0.054642|0.063056|0.049324|0.053320|0.044792|0.043649|0.044797|0.049416|0.054488|0.050722|0.084085|0.080307|0.072844|0.069030|0.096313|0.141552|0.123086|0.212300|0.207969|0.141495|0.127850|0.106646|0.106031|0.207138|0.141280|0.212172|0.303248|0.500000| |2.290737|3.743982|2.755752|3.408692|5.258231|0.092224|3.795705|2.938367|4.835273|6.417585|8.567031|4.745340|26.880885|4.126011|3.788690|3.015685|2.575928|2.659040|3.146400|6.038247|6.398199|4.817548|3.923992|3.823300|4.485603|28.912167|9.153921|8.797984|5.520442|4.848418|4.444853|5.719645|6.919388|6.909091|8.802556|5.514980|17.519863|0.058863|0.062321|0.060582|0.069881|0.070753|0.089790|0.104668|0.107404|0.119200|0.078041|0.073990|0.097144|0.122071|0.077846|0.084124|0.068482|0.063743|0.065398|0.073193|0.085936|0.081883|0.202018|0.121809|0.092145|0.089245|0.157376|0.141789|0.123402|0.106926|0.105917|0.105800|0.128100|0.141230|0.206673|0.141241|0.206737|0.214530|0.141614|0.123231|0.500000| 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