Version2.1 2021-01-13T16:13:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 26-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCn1c(=O)[nH]nc1SCC(=O)N2CCN(CC2)C(=O)CSc3n[nH]c(=O)n3CCC C21119764 RHF 6-31G(d) (6D,7F) CCCn1c(=O)[nH]nc1SCC(=O)N2CCN(CC2)C(=O)CSc3n[nH]c(=O)n3CCC C01[X(C18H32N8O4S2)] 186 C1 552 CCCn1c(SCC(=O)N2CCN(CC2)C(=O)CSc2n[nH]c(=O)n2CCC)n[nH]c1=O CCCn1c(SCC(=O)N2CCN(CC2)C(=O)CSc2n[nH]c(=O)n2CCC)n[nH]c1=O CCCN1C(NNC1=O)SCC(=O)N2CCN(CC2)C(=O)CSC3NNC(=O)N3CCC InChIKey=PLOAOIWODKGAAU-UHFFFAOYSA-N InChI=1S/C18H32N8O4S2/c1-3-5-25-15(29)19-21-17(25)31-11-13(27)23-7-9-24(10-8-23)14(28)12-32-18-22-20-16(30)26(18)6-4-2/h17-18,21-22H,3-12H2,1-2H3,(H,19,29)(H,20,30) InChI=1/C18H32N8O4S2/c1-3-5-25-15(29)19-21-17(25)31-11-13(27)23-7-9-24(10-8-23)14(28)12-32-18-22-20-16(30)26(18)6-4-2/h17-18,21-22H,3-12H2,1-2H3,(H,19,29)(H,20,30)/f/h19-20H CCCn1c(=O)[nH]nc1SCC(=O)N2CCN(CC2)C(=O)CSc3n[nH]c(=O)n3CCC C01[X(C18H32N8O4S2)] 186 C01 552 CCCn1c(SCC(=O)N2CCN(CC2)C(=O)CSc2n[nH]c(=O)n2CCC)n[nH]c1=O CCCN1C(=O)NN[C@H]1SCC(=O)N1CCN(CC1)C(=O)CS[C@H]1NNC(=O)N1CCC CCCN1[C@@H](NNC1=O)SCC(=O)N2CCN(CC2)C(=O)CS[C@H]3NNC(=O)N3CCC InChIKey=GZJMWOFYXBAPPK-UHFFFAOYSA-N InChI=1S/C18H32N8O4S2/c1-3-5-25-15(29)19-21-17(25)31-11-13(27)23-7-9-24(10-8-23)14(28)12-32-18-22-20-16(30)26(18)6-4-2/h17-18,21-22H,3-12H2,1-2H3,(H,19,29)(H,20,30)/t17-,18+ InChI=1/C18H32N8O4S2/c1-3-5-25-15(29)19-21-17(25)31-11-13(27)23-7-9-24(10-8-23)14(28)12-32-18-22-20-16(30)26(18)6-4-2/h17-18,21-22H,3-12H2,1-2H3,(H,19,29)(H,20,30)/t17-,18+/f/h19-20H 3637.6377516086 -2230.3110872 1-A 27810.0818 130 422 552 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.95272 -91.95251 -20.54085 -20.54062 -20.53388 -20.53319 -15.61887 -15.61830 -15.61802 -15.61749 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1.00783 1.00783 1.00783 10783.5021 43165.1950 47403.2611 1.00000 -0.00236 0.00025 0.00237 0.99936 -0.03563 -0.00016 0.03563 0.99937 1 0.00803 0.00201 0.00183 0.16736 0.04181 0.03807 11.45 12.63 26.52 31.05 35.21 48.78 54.76 63.33 67.85 89.06 94.55 106.85 114.19 123.53 127.48 149.73 163.05 166.42 203.21 215.25 238.23 270.64 286.65 337.06 343.94 350.11 350.43 362.85 370.40 381.72 403.84 423.14 437.17 456.56 474.77 481.60 491.70 563.68 611.02 623.79 635.58 662.89 667.28 689.38 726.70 842.92 864.37 864.98 896.25 904.66 968.99 973.94 980.93 1014.40 1032.85 1039.77 1135.04 1140.77 1161.52 1165.03 1181.92 1199.73 1206.66 1210.61 1280.17 1281.01 1321.03 1324.40 1343.60 1364.81 1376.13 1390.97 1394.05 1434.30 1438.03 1441.56 1489.06 1489.65 1526.85 1533.87 1556.22 1558.51 1601.38 1609.78 1633.63 1650.06 1656.39 1659.30 1696.42 1748.44 1748.51 1756.03 1760.44 1773.87 1802.67 1807.08 1875.46 1877.83 1883.61 1890.26 1899.84 1916.94 1950.41 1955.32 1963.84 1966.71 2006.72 2056.09 2059.37 2069.05 2077.99 2085.80 2086.24 2102.44 2104.12 2110.18 2146.65 2149.30 2152.51 2155.87 2164.70 2214.08 2221.59 2225.43 2230.96 2247.98 2248.32 2255.02 2256.02 2258.00 2281.97 2282.85 2295.57 2310.20 2328.50 2328.65 2337.99 2339.40 2354.76 2355.26 2358.29 2358.69 2359.27 2366.30 2366.34 2367.25 2377.49 2379.58 2380.49 2386.39 2787.30 2791.10 2875.07 2877.79 4561.54 4577.44 4584.95 4598.11 4601.22 4604.74 4606.28 4613.49 4615.57 4628.66 4658.28 4661.35 4671.34 4680.27 4687.13 4693.75 4699.65 4699.80 4706.68 4709.46 4737.94 4769.09 4769.45 4772.04 4790.96 4794.63 4832.09 4833.80 5434.16 5435.02 5493.32 5494.21 0.577796 0.610152 0.611097 0.505184 -2229.733291 -2229.700935 -2229.699991 -2229.805904 3.552339D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE CCCn1c(=O)[nH]nc1SCC(=O)N2CCN(CC2)C(=O)CSc3n[nH]c(=O)n3CCC C21119764 RHF 6-31G(d) (6D,10F) C1 488.198795 |X|Y|Z| 64.604350 45.287829 146.919596 75.469997 22 6 7 16 12 8 2 |36.858105| |12.466223|36.858105| |7.531960|12.459048|36.858105| |4.960161|7.617597|13.108508|53.358707| |4.127384|5.827670|7.758424|19.058741|36.858105| |4.043962|5.311548|6.620480|11.315029|15.947485|73.516695| |3.325782|4.469316|5.314388|11.714667|13.736709|14.761957|53.358707| |2.900568|3.700339|4.372907|8.620134|9.554014|13.292465|25.951459|0.500000| |3.226428|4.291274|5.192309|11.519240|8.387547|9.919295|18.160320|0.261597|53.358707| |4.078269|5.813204|7.447239|18.008882|8.269476|9.777706|11.352603|0.168740|17.731905|36.858105| |3.579029|4.482732|5.641809|9.365065|4.925018|6.843503|6.660832|0.116097|9.491114|10.519539|388.023441| |3.091334|3.687280|4.925743|8.186607|4.817035|6.983987|6.412971|0.121105|8.400256|6.903477|74.759113|36.858105| |2.650447|2.988441|3.730352|5.613135|3.485519|5.363663|4.682054|0.091154|5.766107|4.593111|49.600026|12.519293|36.858105| |2.593080|2.874623|3.441218|4.997095|3.073229|4.756103|4.144098|0.079632|5.096493|4.194209|47.855924|8.033414|15.887697|73.516695| |2.330944|2.573837|3.165981|4.705832|3.092308|4.931802|4.160062|0.083903|4.856587|3.652666|33.782000|7.744802|13.977541|15.086678|53.358707| |2.060920|2.214916|2.625414|3.772021|2.509226|4.087940|3.377094|0.068229|3.851742|2.912228|26.302939|5.000993|7.843311|12.442976|17.789450|36.858105| |1.800596|1.934871|2.252863|3.276265|2.252973|3.715529|3.090964|0.063708|3.465978|2.524337|21.549316|3.937378|5.269295|8.450828|10.603117|12.531659|36.858105| |1.781000|1.915676|2.248379|3.285330|2.312590|3.873484|3.156983|0.066237|3.449706|2.466025|20.105791|3.759745|4.576295|6.947205|9.201265|7.788394|13.067125|53.358707| |1.944414|2.130832|2.555626|3.838870|2.738004|4.557730|3.758353|0.080054|4.104468|2.862047|22.850733|4.566893|5.193627|7.294893|10.605739|6.633088|7.822165|17.871315|36.858105| |2.286787|2.525998|3.147123|4.719934|3.243337|5.307510|4.313710|0.089680|4.797517|3.473327|28.820796|6.548240|7.620022|9.444329|17.873855|7.825764|6.633199|10.603953|12.484054|36.858105| |1.598594|1.700469|1.961721|2.834084|2.022756|3.441768|2.759120|0.058182|2.954672|2.107053|16.730152|2.972867|3.453076|5.472942|6.223928|5.261508|7.846171|19.017014|7.623521|5.186543|36.858105| |1.491395|1.573577|1.790967|2.562151|1.819195|3.096365|2.483055|0.051981|2.663530|1.916292|15.299216|2.627864|3.078528|5.069573|5.315291|4.745990|7.004780|11.549946|5.314712|4.098896|15.888897|73.516695| |1.549907|1.647781|1.897492|2.745329|2.001771|3.462475|2.724208|0.058239|2.847826|2.005671|15.382694|2.709355|2.972251|4.670806|5.113511|3.933095|5.001936|10.540546|6.551987|4.560055|12.520284|14.280288|36.858105| |1.362853|1.431522|1.616875|2.308307|1.687333|2.944463|2.293870|0.048817|2.376238|1.684808|12.807252|2.161913|2.350677|3.821633|3.843261|3.024723|3.699902|6.464677|4.054616|3.206614|6.975736|11.966109|10.511355|388.023441| |1.328630|1.394896|1.570007|2.242182|1.667138|2.952157|2.261010|0.048573|2.295944|1.615130|11.967456|2.002031|2.102815|3.400403|3.348216|2.517455|2.910116|4.964636|3.469938|2.851750|4.587962|7.452268|6.889678|74.773636|36.858105| |1.342568|1.423367|1.603298|2.321303|1.748378|3.096343|2.399114|0.052157|2.423169|1.676544|12.261851|2.054788|2.120534|3.401260|3.351664|2.450193|2.828876|4.829475|3.575056|2.886087|4.232771|6.644396|6.249918|49.565462|13.032261|53.358707| |1.354684|1.433190|1.612156|2.326139|1.772600|3.184332|2.414159|0.052751|2.396395|1.656951|11.910006|1.983196|2.003941|3.207342|3.114185|2.231176|2.482956|4.154764|3.194740|2.703127|3.442649|5.413236|4.739095|34.814136|8.332286|18.169795|53.358707| |1.400951|1.492309|1.683067|2.450205|1.887723|3.400954|2.584393|0.057032|2.545849|1.741450|12.376540|2.066462|2.057193|3.269952|3.177633|2.232384|2.462490|4.110328|3.278978|2.784796|3.291080|5.103965|4.405520|29.780257|6.077026|12.819085|25.953015|0.500000| |1.405503|1.474919|1.665918|2.373585|1.797652|3.251333|2.408073|0.052219|2.384198|1.671362|12.055072|2.015770|2.042536|3.265242|3.185279|2.291139|2.504284|4.208172|3.207437|2.790323|3.479441|5.461730|4.780178|35.031393|8.271936|11.406491|18.700106|0.265005|36.858105| |1.437346|1.502086|1.694690|2.398360|1.828547|3.350708|2.424163|0.052578|2.369554|1.667371|11.884342|1.974140|1.971423|3.152109|3.029960|2.152137|2.291263|3.773758|2.929778|2.652802|3.008140|4.752085|3.887626|27.375312|5.503152|7.584628|11.298026|0.206873|15.948900|73.516695| |1.394151|1.456448|1.646583|2.332178|1.739275|3.114627|2.326025|0.049948|2.336084|1.654103|12.156946|2.041076|2.117550|3.402757|3.354914|2.481782|2.761899|4.705635|3.403068|2.913651|4.108165|6.520147|5.903794|48.886084|13.232959|11.500951|11.707607|0.175895|14.006988|14.797392|53.358707| |1.377342|1.421768|1.600485|2.231453|1.649087|2.963349|2.180215|0.046340|2.189776|1.574056|11.628980|1.932335|2.017652|3.277583|3.168845|2.380534|2.587769|4.270038|3.014361|2.698143|3.669287|6.057712|4.739236|39.823529|7.466690|7.064914|7.246311|0.121362|7.765030|11.788610|17.790466|36.858105| |1.513125|1.553720|1.766376|2.437066|1.783910|3.209263|2.325189|0.049088|2.339454|1.702757|12.672834|2.129923|2.234960|3.609172|3.536743|2.656383|2.806292|4.643545|3.283974|3.048705|3.850801|6.240129|4.711012|34.287564|5.276111|5.616203|5.714757|0.103410|5.743408|9.816232|10.403787|12.485265|36.858105| |1.459099|1.477207|1.660838|2.255302|1.639467|2.958565|2.122481|0.044405|2.133254|1.572073|11.715548|1.926847|2.024287|3.327195|3.132505|2.379495|2.454223|3.864248|2.705290|2.605073|3.126521|5.290909|3.532027|26.401848|3.883599|4.296545|4.382685|0.080938|4.107307|7.373429|6.757158|7.534535|12.467672|36.858105| |17.564003|8.790937|5.482347|5.569923|3.564486|6.245628|4.074125|0.073115|3.943971|3.552155|22.256716|2.686171|2.344883|4.124795|2.829330|1.862581|1.645707|2.210086|1.759232|2.033514|1.469057|2.451207|1.426318|9.000202|1.236273|1.701557|1.717252|0.036210|1.304431|2.370454|1.759635|1.277963|1.394139|1.349659|0.500000| |17.538158|8.768234|6.820599|6.236286|3.698335|6.300390|4.162802|0.074769|4.191359|3.940697|26.541051|3.199216|2.806460|4.965734|3.327325|2.179129|1.877816|2.502176|1.987166|2.357275|1.644432|2.738086|1.579181|9.872613|1.341884|1.833636|1.839655|0.038639|1.406288|2.546575|1.913799|1.395719|1.541390|1.492737|0.301864|0.500000| |17.542783|8.776801|6.832151|6.259573|4.033631|7.430363|4.339299|0.078845|4.096133|3.654140|22.852868|2.932258|2.528766|4.333003|3.092955|2.013576|1.770128|2.412314|1.938862|2.274781|1.599941|2.646354|1.565348|9.806580|1.354362|1.860102|1.890026|0.039903|1.449459|2.654327|1.949649|1.420405|1.567131|1.515901|0.301884|0.301338|0.500000| |8.863626|17.525489|8.835821|9.389156|5.186999|7.970174|5.926495|0.099066|6.043016|6.279105|34.812567|3.702354|3.025886|5.298117|3.480875|2.211927|1.929742|2.564896|2.081765|2.451881|1.668992|2.760202|1.603186|9.923178|1.350507|1.876817|1.876707|0.039817|1.410547|2.536733|1.903551|1.362278|1.480632|1.407126|0.213023|0.210842|0.173022|0.500000| |8.841078|17.543953|8.890148|9.499460|6.271398|10.751199|6.481930|0.109319|5.778990|5.295035|27.585349|3.311995|2.690610|4.556388|3.220269|2.042239|1.815716|2.471379|2.029082|2.363029|1.624292|2.669041|1.590308|9.864722|1.364301|1.906720|1.931659|0.041233|1.455166|2.644925|1.940300|1.386213|1.504575|1.427488|0.212164|0.172727|0.210778|0.302802|0.500000| |6.889259|8.847714|17.626296|12.701424|7.403639|13.293089|6.645848|0.117517|6.092886|5.622506|32.151323|4.415434|3.446985|5.554106|4.153800|2.546927|2.207762|3.057094|2.564418|3.148444|1.975542|3.191076|1.937198|11.746275|1.620412|2.249809|2.284601|0.048751|1.749002|3.194044|2.339262|1.676086|1.862050|1.752176|0.140760|0.169192|0.204747|0.173562|0.213030|0.500000| |6.872028|8.822676|17.595541|12.574025|5.801280|8.883363|6.070961|0.105370|6.432802|6.893470|46.107589|5.550127|4.283677|7.133564|4.791363|2.914440|2.431621|3.251745|2.684679|3.387309|2.064108|3.359941|1.966458|11.874694|1.601135|2.206221|2.200058|0.046562|1.676885|3.015263|2.281048|1.637962|1.821754|1.718733|0.140432|0.203812|0.169173|0.211228|0.173838|0.302406|0.500000| |2.803819|3.373990|4.367111|7.738202|5.016458|7.200323|7.236599|0.142434|9.838612|6.666729|56.707041|17.629953|8.829881|10.936578|9.491486|4.596522|3.908176|5.242360|4.927741|6.599848|3.047832|4.727317|2.821766|15.833217|2.078554|2.956962|2.851106|0.061289|2.099185|3.638366|2.863295|1.958280|2.128295|1.900671|0.068748|0.078701|0.074561|0.093922|0.087281|0.111394|0.127205|0.500000| |3.394920|4.023695|5.788739|9.203736|5.325521|7.920037|6.473076|0.122580|7.647666|6.488127|56.390271|17.592638|8.871474|11.092023|9.330164|4.621242|3.664363|4.970565|4.473535|6.709318|2.932444|4.575253|2.732505|15.500371|2.044887|2.842043|2.780104|0.059168|2.106131|3.710156|2.889230|2.024180|2.265379|2.051676|0.080034|0.097398|0.091340|0.107309|0.099583|0.150326|0.184140|0.302322|0.500000| |2.074726|2.189484|2.593706|3.623846|2.408440|3.985051|3.173404|0.063964|3.539404|2.720061|24.019211|4.435796|6.350389|10.376964|12.406152|17.511649|8.877831|9.423504|5.772258|6.975448|5.116120|8.350973|3.906888|21.791536|2.549932|3.302475|3.033001|0.061370|2.335767|3.925510|3.485260|2.515061|2.884022|2.616181|0.051937|0.061374|0.056800|0.060127|0.055882|0.070887|0.080574|0.110861|0.121240|0.500000| |2.045899|2.193973|2.558035|3.655220|2.401063|3.880234|3.253922|0.064977|3.765077|2.889073|26.994697|4.757720|7.647302|14.811597|12.531928|17.693900|8.875307|7.679798|4.976093|5.695303|4.248608|7.212148|3.283138|18.859925|2.231300|2.965693|2.713049|0.055428|2.033114|3.412420|2.977688|2.112230|2.327439|2.126810|0.051670|0.060537|0.054902|0.061750|0.055881|0.067801|0.079494|0.119292|0.117881|0.301423|0.500000| |1.675248|1.777267|2.038662|2.918424|2.010730|3.346422|2.745680|0.056434|3.043849|2.235605|18.880986|3.285077|4.251728|7.217804|7.680842|8.875223|17.693714|12.531562|5.694168|4.976940|7.644821|14.806327|4.757218|26.988175|2.886298|3.717939|3.238552|0.064583|2.411857|3.907712|3.687293|2.585364|2.788772|2.479384|0.042794|0.048683|0.045821|0.049284|0.046376|0.055651|0.061099|0.089519|0.086292|0.217559|0.209533|0.500000| |1.754767|1.904414|2.199756|3.252702|2.248363|3.673433|3.149949|0.065109|3.581559|2.562118|21.880640|3.915654|5.131663|8.383126|9.424387|8.878102|17.511132|12.402386|6.967207|5.769280|6.367477|10.418541|4.442955|24.087267|2.724339|3.704114|3.243486|0.066293|2.350794|3.822685|3.466434|2.352999|2.491605|2.188155|0.044782|0.050571|0.047613|0.053230|0.049875|0.059288|0.065402|0.111522|0.097699|0.174052|0.217588|0.301464|0.500000| |1.890828|2.062412|2.465728|3.684512|2.693314|4.585165|3.666991|0.079323|3.872648|2.677388|20.508302|3.960619|4.204281|6.069986|7.713361|4.970404|5.657709|12.390038|17.664004|8.945939|7.177273|8.801582|7.759912|31.860985|4.025696|5.767328|5.201705|0.110144|3.862209|6.206832|5.499477|3.451121|3.747592|2.966471|0.047584|0.053248|0.052938|0.055385|0.055103|0.069998|0.070858|0.119212|0.112301|0.129849|0.109351|0.127543|0.142128|0.500000| |1.897694|2.105531|2.502304|3.849208|2.773546|4.553885|3.932051|0.084612|4.365897|2.948224|23.371847|4.589971|5.066319|7.204835|9.443440|5.771485|6.960209|12.404361|17.500273|8.881566|6.225270|8.360471|5.496485|26.069568|3.197836|4.650767|4.139301|0.088098|2.948076|4.787241|4.163358|2.680949|2.829958|2.371472|0.047970|0.053550|0.052166|0.057696|0.056049|0.068838|0.072247|0.146209|0.118835|0.132680|0.130026|0.142679|0.204579|0.301857|0.500000| |2.458806|2.782229|3.556795|5.567612|3.892443|6.286176|5.182094|0.109125|5.740508|4.033925|31.870972|7.760960|7.177877|8.801719|12.388847|5.658625|4.969113|7.711740|8.943836|17.664726|4.201302|6.066594|3.957296|20.481509|2.669907|3.771816|3.618927|0.077655|2.720835|4.674559|3.747981|2.529069|2.822085|2.423473|0.060333|0.069409|0.068027|0.074409|0.072831|0.099244|0.103994|0.239804|0.231595|0.142260|0.127535|0.109345|0.129735|0.215406|0.219324|0.500000| |2.319709|2.507758|3.128524|4.500923|3.085546|5.182058|3.970418|0.081997|4.281822|3.189697|25.977773|5.479320|6.209092|8.341910|12.407876|6.968359|5.774669|9.443136|8.881965|17.503237|5.051951|7.186962|4.574227|23.260421|2.928566|3.924525|3.728581|0.077456|2.920337|4.995706|4.199949|2.931161|3.453106|2.950173|0.057025|0.066830|0.064944|0.066693|0.064912|0.089033|0.094330|0.144274|0.170461|0.205050|0.142801|0.130120|0.132683|0.219397|0.174284|0.301966|0.500000| |1.541950|1.654749|1.904133|2.796202|2.064619|3.564577|2.849337|0.061631|2.971245|2.053489|15.539829|2.737367|2.935798|4.579551|4.971142|3.661074|4.615301|9.311346|6.716137|4.473985|8.848922|11.066848|17.623753|56.640161|6.526477|9.761033|7.094741|0.140252|4.821522|6.924533|7.384366|4.149761|3.992187|3.066129|0.039484|0.043358|0.043180|0.044791|0.044640|0.053879|0.054305|0.081171|0.075978|0.097559|0.086234|0.117641|0.121197|0.231843|0.171065|0.112404|0.118699|0.500000| |1.635748|1.733614|2.013801|2.893606|2.113586|3.689530|2.833563|0.060581|2.930905|2.078203|15.816972|2.818058|3.044758|4.723210|5.238102|3.907982|4.603757|9.514615|6.602685|4.918341|8.854084|10.957777|17.612997|56.427074|6.596919|7.984301|6.710961|0.128110|5.420315|7.983954|9.171428|5.480366|5.893996|4.119690|0.041598|0.046266|0.046215|0.046451|0.046446|0.057760|0.057952|0.080815|0.080918|0.111465|0.089534|0.119543|0.111050|0.239721|0.144512|0.118992|0.145663|0.302651|0.500000| |1.308740|1.347956|1.508663|2.100558|1.542922|2.755429|2.049157|0.043371|2.073135|1.494309|11.131392|1.834882|1.939117|3.183726|3.042715|2.333632|2.569157|4.167331|2.845143|2.533035|3.678015|6.336075|4.589787|43.506771|7.362974|6.563281|6.241585|0.105137|5.842462|8.791484|12.570108|17.585447|8.846329|6.837225|0.033841|0.036967|0.037326|0.036065|0.036424|0.043582|0.043063|0.051488|0.052898|0.068535|0.057969|0.072790|0.064918|0.088106|0.070866|0.065296|0.075727|0.109684|0.138156|0.500000| |1.328640|1.366306|1.527651|2.122000|1.577549|2.856652|2.081248|0.044268|2.072547|1.489645|10.890503|1.787325|1.843462|3.008413|2.846593|2.116351|2.266267|3.655049|2.630932|2.402659|3.048330|5.078494|3.794112|30.963608|5.877041|6.187593|6.869211|0.116406|7.425681|12.816969|12.540330|17.586201|8.865181|6.952539|0.034357|0.037261|0.038204|0.036281|0.037174|0.044610|0.043180|0.050330|0.052140|0.061856|0.052759|0.062695|0.057936|0.082968|0.066068|0.063618|0.072120|0.096360|0.119061|0.302176|0.500000| |1.603319|1.650622|1.889829|2.609296|1.925347|3.495664|2.490919|0.052815|2.480869|1.801191|13.243466|2.241458|2.307772|3.684251|3.631709|2.647973|2.745811|4.566903|3.387870|3.207194|3.630794|5.718828|4.459264|29.913676|4.774198|5.515335|5.926278|0.110797|6.156272|11.545552|9.595441|8.921644|17.560376|8.838991|0.040869|0.045141|0.046410|0.043385|0.044542|0.055906|0.053807|0.062424|0.067110|0.079363|0.064227|0.074109|0.068171|0.109982|0.080921|0.084157|0.101959|0.109342|0.160003|0.174325|0.212355|0.500000| |1.564226|1.612520|1.845863|2.555490|1.852494|3.296633|2.421172|0.050962|2.465758|1.799061|13.604045|2.319855|2.485155|3.996229|4.028851|3.088825|3.308068|5.619393|3.823869|3.493574|4.782252|7.638084|5.792322|40.024072|5.388013|5.690147|5.438141|0.099665|5.089402|8.265584|9.432327|8.886443|17.543048|8.852019|0.039905|0.044503|0.044742|0.042855|0.043106|0.053684|0.053347|0.064134|0.068236|0.094468|0.073864|0.091849|0.079636|0.120461|0.089008|0.087122|0.111520|0.127396|0.210471|0.213981|0.174116|0.302203|0.500000| |1.377964|1.393599|1.556886|2.115904|1.531384|2.745920|1.995128|0.041634|2.018570|1.488817|11.177557|1.823968|1.937906|3.219024|2.996568|2.321604|2.422668|3.757197|2.561825|2.442174|3.100561|5.420923|3.426748|27.006502|3.814319|4.127505|4.086006|0.074864|3.687787|6.387400|6.225822|6.820957|8.765715|17.535474|0.035547|0.039279|0.039551|0.037096|0.037351|0.045255|0.044898|0.049924|0.053374|0.070898|0.058122|0.069288|0.060041|0.076683|0.062885|0.062604|0.075785|0.081928|0.106769|0.202549|0.171193|0.172691|0.210674|0.500000| |1.405591|1.419026|1.584253|2.147634|1.572829|2.859879|2.034724|0.042648|2.027849|1.490886|10.981063|1.786171|1.851159|3.050605|2.823297|2.116810|2.174052|3.388430|2.418174|2.339236|2.709652|4.588504|3.075618|23.137641|3.572619|4.055951|4.278296|0.079217|4.035842|7.584493|6.264849|6.823316|8.773316|17.541504|0.036251|0.039748|0.040724|0.037463|0.038301|0.046604|0.045208|0.049129|0.052868|0.063834|0.053081|0.060655|0.054648|0.073778|0.059840|0.061514|0.072623|0.076445|0.097953|0.167542|0.206608|0.210864|0.172885|0.301259|0.500000| |1.550660|1.559105|1.758899|2.362992|1.704246|3.077573|2.185287|0.045439|2.198647|1.637119|12.254705|2.016009|2.121528|3.491482|3.268110|2.480630|2.494305|3.872253|2.722757|2.704128|3.040717|5.129275|3.309720|23.532707|3.333832|3.826951|3.888959|0.073569|3.537078|6.439977|5.578978|5.485110|8.792514|17.561749|0.039690|0.044281|0.044899|0.041113|0.041636|0.051747|0.050869|0.054612|0.060182|0.077079|0.061573|0.069799|0.061280|0.081849|0.065812|0.069686|0.086792|0.080067|0.107714|0.140160|0.141475|0.211857|0.212549|0.301965|0.301966|0.500000| |2.963083|3.863628|4.327878|8.498948|6.257870|8.145354|13.140705|0.211109|25.916788|9.426491|42.828491|5.007450|3.743301|6.113892|4.331985|2.602445|2.376715|3.184986|2.728410|3.088869|2.026510|3.281703|1.948551|11.706103|1.588971|2.286430|2.253505|0.048774|1.635874|2.880982|2.183665|1.503626|1.592793|1.458352|0.075793|0.078629|0.076084|0.114984|0.107606|0.104115|0.111068|0.159383|0.123985|0.066174|0.071750|0.058523|0.069100|0.071390|0.081559|0.099365|0.076741|0.056621|0.055138|0.039753|0.039620|0.046616|0.046545|0.038541|0.038599|0.041592|0.500000| |4.261332|6.220985|6.624087|12.379647|6.567883|8.467786|9.212902|0.140581|12.215037|17.503046|58.406569|5.156753|3.843038|6.578897|4.233320|2.580173|2.259448|2.977790|2.479111|2.925605|1.897524|3.106496|1.806128|10.964601|1.479961|2.085591|2.062282|0.044087|1.525951|2.708907|2.057234|1.445298|1.555522|1.449034|0.106406|0.113178|0.102139|0.211327|0.158126|0.137673|0.169137|0.137525|0.134757|0.067381|0.072290|0.056426|0.063946|0.064689|0.070982|0.091419|0.075639|0.051252|0.051701|0.038289|0.038161|0.045474|0.045460|0.038293|0.038322|0.041882|0.237664|0.500000| |1.237367|1.292896|1.442047|2.049356|1.522405|2.699404|2.066502|0.044239|2.096187|1.479431|10.947236|1.801768|1.892229|3.098227|2.967819|2.250187|2.579630|4.228746|2.925541|2.467076|3.841231|6.579326|5.153207|58.402188|17.486865|12.194763|9.170760|0.140154|6.567910|8.480463|12.421959|6.738058|4.608432|3.651582|0.032131|0.034722|0.035020|0.034846|0.035173|0.041264|0.040824|0.051733|0.050956|0.063419|0.056268|0.072213|0.067672|0.091291|0.076086|0.064464|0.070256|0.136434|0.135600|0.207402|0.159254|0.113695|0.126694|0.102936|0.095446|0.086238|0.040539|0.037927|0.500000| 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