Version2.3 2021-04-01T04:20:00Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccsc1C(=O)N2CCC[C@H](C2)COc3ccc(cc3)C[NH+](C)Cc4c(non4)C C14962074 RHF 6-31G(d) (6D,7F) Cc1ccsc1C(=O)N2CCC[C@H](C2)COc3ccc(cc3)C[NH+](C)Cc4c(non4)C C01[X(C24H31N4O3S1)] 183 C1 546 C[NH+](Cc1nonc1C)Cc1ccc(cc1)OC[C@@H]1CCCN(C1)C(=O)c1sccc1C C[NH+](Cc1nonc1C)Cc1ccc(cc1)OC[C@@H]1CCCN(C1)C(=O)c1sccc1C C[NH+](Cc1ccc(OC[C@@H]2CCCN(C2)C(=O)c3sccc3C)cc1)Cc4nonc4C InChIKey=XJJXEMFPSCJRAZ-HXUWFJFHSA-O InChI=1S/C24H30N4O3S/c1-17-10-12-32-23(17)24(29)28-11-4-5-20(14-28)16-30-21-8-6-19(7-9-21)13-27(3)15-22-18(2)25-31-26-22/h6-10,12,20H,4-5,11,13-16H2,1-3H3/p+1/t20-/m1/s1 InChI=1/C24H30N4O3S/c1-17-10-12-32-23(17)24(29)28-11-4-5-20(14-28)16-30-21-8-6-19(7-9-21)13-27(3)15-22-18(2)25-31-26-22/h6-10,12,20H,4-5,11,13-16H2,1-3H3/p+1/t20-/m1/s1/fC24H31N4O3S/h27H/q+1 Cc1ccsc1C(=O)N2CCC[C@H](C2)COc3ccc(cc3)C[NH+](C)Cc4c(non4)C C01[X(C24H31N4O3S1)] 183 C01 546 C[NH+](Cc1nonc1C)Cc1ccc(cc1)OC[C@@H]1CCCN(C1)C(=O)c1sccc1C C[NH](C[C]1=NON=[C]1C)C[C]1[CH][CH][C]([CH][CH]1)OC[C@@H]1CCCN(C1)C(=O)C1=[C]([CH]=[CH]S1)C C[NH](C[C]1[CH][CH][C]([CH][CH]1)OC[C@@H]2CCCN(C2)C(=O)c3sccc3C)Cc4nonc4C InChIKey=ZIPLSFYDJWBTTQ-HXUWFJFHSA-N InChI=1S/C24H31N4O3S/c1-17-10-12-32-23(17)24(29)28-11-4-5-20(14-28)16-30-21-8-6-19(7-9-21)13-27(3)15-22-18(2)25-31-26-22/h6-10,12,20,27H,4-5,11,13-16H2,1-3H3/t20-/m1/s1 InChI=1/C24H31N4O3S/c1-17-10-12-32-23(17)24(29)28-11-4-5-20(14-28)16-30-21-8-6-19(7-9-21)13-27(3)15-22-18(2)25-31-26-22/h6-10,12,20,27H,4-5,11,13-16H2,1-3H3/t20-/m1/s1 3129.0026652401 -1766.4792789 1-A 34452.8487 121 425 546 |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| -92.01728 -20.81613 -20.68631 -20.57998 -15.85569 -15.78884 -15.77071 -15.63758 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|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|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| 11.0373 13.4806 16.6531 27.4781 28.6854 37.6655 42.6760 53.3129 59.8954 69.0841 86.5365 99.3455 108.6900 122.3912 125.0869 129.6695 144.1059 171.3494 189.7144 207.7396 226.5896 242.1141 243.4090 257.3265 269.9311 276.0884 283.4969 322.7816 339.0837 348.1197 366.7656 382.0370 390.1642 429.2240 439.0674 444.1980 463.0076 473.8663 474.9131 479.8888 516.8657 525.1298 545.6571 563.5333 583.1088 593.0697 638.2673 668.7307 689.7067 691.1814 696.4636 698.4932 715.4428 739.1452 758.5204 786.5109 826.1518 830.3752 858.3183 860.1818 884.4994 900.8600 916.4923 929.6255 933.3428 937.6735 955.2736 957.9151 979.1589 993.0123 1006.0101 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0.03043 0.02890 15.88 19.40 23.96 39.53 41.27 54.19 61.40 76.71 86.18 99.40 124.51 142.94 156.38 176.09 179.97 186.57 207.34 246.53 272.96 298.89 326.01 348.35 350.21 370.24 388.37 397.23 407.89 464.41 487.87 500.87 527.69 549.67 561.36 617.56 631.72 639.10 666.16 681.79 683.29 690.45 743.65 755.54 785.08 810.80 838.96 853.29 918.32 962.15 992.33 994.46 1002.06 1004.98 1029.36 1063.47 1091.34 1131.61 1188.65 1194.72 1234.93 1237.61 1272.60 1296.14 1318.63 1337.52 1342.87 1349.10 1374.43 1378.23 1408.79 1428.72 1447.42 1487.96 1488.29 1492.62 1498.58 1529.47 1542.54 1551.58 1559.08 1584.94 1588.17 1603.04 1606.31 1613.68 1666.73 1678.90 1680.29 1697.24 1702.15 1719.45 1743.12 1747.88 1764.91 1766.94 1769.11 1776.66 1822.08 1848.42 1864.07 1868.97 1890.23 1907.55 1919.28 1933.89 1956.88 1973.37 1995.07 1997.98 2020.14 2077.48 2081.48 2085.71 2091.34 2108.21 2124.33 2134.04 2183.08 2193.06 2198.54 2199.54 2220.24 2241.61 2244.73 2259.92 2264.74 2276.84 2279.86 2287.40 2294.86 2302.06 2325.39 2333.34 2333.63 2341.00 2344.78 2346.38 2354.59 2355.86 2360.17 2362.02 2364.16 2368.52 2382.61 2383.74 2397.10 2444.03 2482.55 2540.80 2563.33 2601.24 2689.98 2750.85 4571.13 4589.97 4608.91 4613.24 4619.63 4632.84 4634.45 4640.25 4655.48 4679.09 4689.60 4690.79 4698.19 4707.45 4714.10 4721.49 4779.50 4792.46 4794.13 4802.81 4807.22 4826.69 4829.80 4842.37 4853.72 4883.15 4885.65 4904.44 4919.51 4952.06 5280.18 0.571041 0.600286 0.601230 0.504385 -1765.908238 -1765.878993 -1765.878049 -1765.974894 3.248197D-04 MUNgauss RevisionA2.1 retrievium 01-Apr-2021 DUDE Cc1ccsc1C(=O)N2CCC[C@H](C2)COc3ccc(cc3)C[NH+](C)Cc4c(non4)C C14962074 RHF 6-31G(d) (6D,10F) C1 455.211688 |X|Y|Z| 176.071800 50.819737 29.471152 64.126830 28 6 7 8 16 21 4 2 1 |36.858105| |12.656432|36.858105| |7.408133|13.222450|36.858105| |5.100797|8.189219|14.186472|36.858105| |4.703076|7.398399|7.472682|11.076897|388.023441| |7.449444|14.073215|8.240424|7.708448|77.711024|36.858105| |6.055165|7.491028|5.069191|4.845437|47.983941|12.757930|36.858105| |6.058763|6.339339|4.397889|4.042527|35.763163|8.129630|15.842511|73.516695| |4.397273|5.217477|4.038857|4.108972|42.042212|7.772698|13.900068|15.046839|53.358707| |3.952651|4.699106|3.885305|4.037726|39.696161|6.375819|7.638255|9.587209|17.755012|36.858105| |3.680486|3.965826|3.292119|3.253953|28.373623|4.747090|5.669353|8.199173|10.527989|12.446661|36.858105| |3.127472|3.245690|2.721441|2.690062|23.215006|3.820111|4.837922|7.699283|8.941680|7.516102|12.442656|36.858105| |3.352281|3.426053|2.788564|2.727457|23.850913|4.104711|5.786755|9.973964|10.491764|6.495843|7.542026|12.414334|36.858105| |3.817199|3.714185|2.935110|2.782031|23.608658|4.303471|6.145583|11.438875|9.531161|5.749780|6.812111|8.847725|17.540216|0.500000| |3.551989|3.876009|3.134734|3.159419|29.714669|5.048404|7.901048|12.604220|17.837548|7.821318|6.574908|7.594687|12.427466|0.248150|36.858105| |2.716895|2.732830|2.303967|2.267070|19.277893|3.155201|4.131644|7.544844|6.796487|4.399927|4.921196|7.582107|12.532688|0.249751|7.542802|36.858105| |2.716982|2.691814|2.262022|2.209004|18.589156|3.071015|4.043264|7.962336|6.123240|3.718882|3.887389|5.097087|8.021759|0.207083|6.563242|13.451434|73.516695| |2.319791|2.288457|1.970020|1.931276|15.927803|2.554010|3.192861|6.246628|4.706661|2.976731|3.093248|3.893892|5.224149|0.138063|4.609247|7.947753|25.513722|36.858105| |2.260953|2.211917|1.914554|1.868902|15.207440|2.433625|2.988980|6.025022|4.205144|2.625561|2.656087|3.151332|4.092635|0.113562|3.899714|5.233044|14.674143|13.600514|36.858105| |1.956714|1.914667|1.689032|1.654791|13.261437|2.077093|2.465661|4.870430|3.454209|2.220566|2.248587|2.619385|3.203669|0.088447|3.074534|3.972929|9.479420|7.929573|13.894966|36.858105| |1.769766|1.739895|1.550242|1.526624|12.195127|1.884054|2.206774|4.248058|3.149022|2.081219|2.137010|2.515437|2.965155|0.080310|2.784864|3.759602|8.220969|6.814760|7.900441|13.610562|36.858105| |1.799527|1.778414|1.580834|1.561627|12.571691|1.940701|2.288576|4.331537|3.348531|2.245580|2.346992|2.849280|3.325357|0.087837|3.017059|4.477128|9.285675|7.938810|6.893484|7.967044|13.757512|36.858105| |2.028602|2.010451|1.762362|1.739234|14.208853|2.224263|2.691878|5.088086|4.027366|2.673846|2.830672|3.592126|4.373505|0.112576|3.795970|6.636556|14.050601|13.707694|7.904429|6.868975|7.879951|13.735179|36.858105| |1.564851|1.538414|1.388854|1.370133|10.809302|1.648413|1.888611|3.605619|2.670754|1.790841|1.831339|2.106815|2.405291|0.065498|2.291451|2.911027|6.028654|4.436237|5.041126|7.580333|12.709617|7.572288|5.017750|36.858105| |1.514809|1.470449|1.329415|1.300842|10.128645|1.554703|1.764704|3.384741|2.461692|1.660279|1.712775|1.948062|2.201863|0.061207|2.073279|2.602633|5.327119|3.748869|4.260623|5.897559|7.576829|5.479590|4.078082|12.481951|53.358707| |1.592408|1.535774|1.382679|1.346418|10.460309|1.618289|1.841786|3.573195|2.541602|1.698209|1.747003|1.976945|2.262096|0.063667|2.136401|2.648757|5.544753|3.884576|4.656038|6.580707|7.220804|5.060223|3.995327|9.247507|25.652661|0.500000| |1.511198|1.458303|1.316266|1.283144|9.959195|1.536139|1.742151|3.321138|2.442996|1.668178|1.751831|2.008101|2.238016|0.062480|2.052728|2.663672|5.303021|3.675729|3.891539|4.864281|6.266311|5.469871|4.166699|7.578904|17.332184|0.261015|36.858105| |1.365797|1.329533|1.214287|1.191318|9.204007|1.397828|1.563881|2.979368|2.171637|1.475690|1.512415|1.693412|1.883344|0.052288|1.798537|2.170407|4.341930|2.925393|3.272278|4.228202|4.972752|3.961966|3.134205|7.612675|17.348848|0.259955|7.695058|36.858105| |1.335761|1.289598|1.180211|1.151357|8.808538|1.342662|1.490770|2.852223|2.045971|1.391270|1.427036|1.579371|1.750682|0.049228|1.672212|1.978228|3.946999|2.586959|2.909182|3.593822|3.887739|3.207651|2.684605|5.043402|10.523687|0.213664|6.081913|12.701702|36.858105| |1.224115|1.182480|1.090213|1.064257|8.083308|1.224421|1.344969|2.559191|1.840146|1.259703|1.289339|1.412106|1.547186|0.043517|1.485963|1.721480|3.381662|2.164130|2.391846|2.838469|3.016485|2.596038|2.235697|3.722988|6.707931|0.135377|4.334052|7.133453|13.234148|36.858105| |1.232577|1.182985|1.090817|1.059908|8.001882|1.217108|1.332058|2.544300|1.808336|1.236799|1.266804|1.378650|1.510796|0.042851|1.450195|1.663597|3.270547|2.065851|2.290811|2.661748|2.740629|2.379558|2.098203|3.215878|5.673340|0.121199|3.815768|5.229383|8.762927|14.919828|53.358707| |1.343169|1.281008|1.173402|1.134975|8.579982|1.316962|1.450282|2.793315|1.960340|1.332125|1.367756|1.493257|1.652394|0.047226|1.578170|1.824576|3.633900|2.307226|2.600425|3.037590|3.059248|2.612636|2.312199|3.508931|6.428122|0.147437|4.312386|5.402586|9.127644|9.035309|19.448862|73.516695| |1.419469|1.358398|1.237216|1.199380|9.147919|1.407628|1.566441|3.024145|2.131381|1.441422|1.481853|1.636568|1.828053|0.052021|1.738623|2.054424|4.145844|2.701940|3.092248|3.772892|3.873365|3.182038|2.732271|4.625344|9.517585|0.231901|5.878325|7.873936|14.968801|8.671505|11.844369|25.600798|53.358707| |1.126797|1.095161|1.015959|0.996357|7.560450|1.135092|1.239524|2.339470|1.703189|1.173657|1.198298|1.307853|1.418994|0.039632|1.369639|1.572451|3.047725|1.934041|2.100732|2.456058|2.643311|2.333350|2.018070|3.256030|5.405234|0.104565|3.581758|5.634899|7.155733|12.735472|10.598782|9.527400|7.091728|36.858105| |17.545164|8.905891|6.737548|4.674925|29.273622|5.803734|4.802335|8.275304|5.187295|3.649847|3.537344|2.966527|3.059614|0.096061|3.135487|2.508944|4.387266|2.131006|2.062772|1.805899|1.653072|1.689069|1.894586|1.471703|1.950107|0.041684|1.439996|1.296856|1.271832|1.170610|1.606608|2.280324|1.837279|1.080292|0.500000| |17.656356|8.832172|5.486341|4.249919|30.629358|6.990682|6.902667|13.379505|6.682038|4.242889|4.090268|3.547811|3.931851|0.130483|4.054008|3.121847|5.582717|2.627716|2.545148|2.166479|1.945335|1.983795|2.263271|1.700344|2.240516|0.048233|1.647688|1.470029|1.435041|1.306264|1.789525|2.562128|2.084561|1.196049|0.300075|0.500000| |17.549563|8.921204|6.567854|4.640706|29.533128|5.915400|5.014503|9.535724|5.085013|3.311068|3.081024|2.718930|2.958378|0.092720|3.152754|2.481610|4.516590|2.209617|2.198524|1.919850|1.725505|1.732894|1.929953|1.536474|2.034306|0.043848|1.481840|1.354232|1.332458|1.224716|1.685484|2.401378|1.933631|1.125864|0.302139|0.302701|0.500000| |6.708245|8.592850|17.737228|8.925408|37.760396|5.735035|4.043843|6.556570|4.533793|3.248332|2.876048|2.420937|2.466191|0.072530|2.697735|2.078741|3.644337|1.808470|1.768441|1.575456|1.450727|1.473940|1.629261|1.309302|1.717826|0.036485|1.251959|1.158266|1.131869|1.050210|1.435123|2.014042|1.617161|0.979471|0.188234|0.136338|0.179326|0.500000| |4.047208|5.665654|8.781061|17.783600|55.474212|5.415906|3.848824|5.894862|4.662882|3.439767|2.837656|2.387445|2.395667|0.067237|2.741402|2.034713|3.524799|1.757698|1.706234|1.527555|1.418061|1.448543|1.599535|1.282879|1.659204|0.034952|1.201339|1.123193|1.086456|1.008683|1.366839|1.903643|1.535485|0.948172|0.106872|0.095953|0.105945|0.204130|0.500000| |4.339002|5.504334|4.655481|4.929997|48.819756|7.482477|7.222428|8.924460|12.398045|17.695782|8.846712|5.498411|4.883007|0.129013|5.667632|3.559971|5.571747|2.582707|2.334629|2.004775|1.878436|2.002216|2.335329|1.638223|2.085241|0.043606|1.537734|1.373449|1.304087|1.188351|1.594200|2.237904|1.841023|1.109493|0.113080|0.123307|0.098890|0.105404|0.114071|0.500000| |3.271875|3.869435|3.386852|3.656814|36.120702|5.073856|5.797532|7.855936|12.506862|17.540744|8.817634|6.728505|5.696652|0.132651|7.055995|4.214634|6.276605|2.892342|2.538883|2.172261|2.059626|2.237156|2.651632|1.779829|2.225023|0.046123|1.637348|1.458517|1.366313|1.238677|1.647149|2.304965|1.912568|1.160284|0.084723|0.095690|0.078734|0.079921|0.089650|0.303689|0.500000| |4.313636|4.429580|3.551282|3.357823|27.960988|5.037688|5.896220|8.758803|9.382531|8.881047|17.522046|8.844523|6.740273|0.198768|5.708703|4.507137|6.644903|2.986313|2.611568|2.210618|2.082897|2.259983|2.700205|1.790828|2.308806|0.048386|1.740696|1.498183|1.426031|1.290172|1.735813|2.458058|2.030239|1.194120|0.117123|0.137123|0.097217|0.086807|0.080273|0.217140|0.173814|0.500000| |3.234660|3.490853|3.039530|3.045629|25.713325|4.021320|4.422617|6.560221|7.643287|8.859219|17.543158|8.817670|5.494499|0.139254|4.928224|4.086736|5.822409|2.712282|2.347480|2.030503|1.958375|2.156167|2.555213|1.701154|2.172870|0.044961|1.640473|1.420933|1.341891|1.219465|1.629552|2.285211|1.887785|1.139672|0.088941|0.096633|0.076249|0.075011|0.075469|0.212020|0.215269|0.302815|0.500000| |2.915485|2.925053|2.481894|2.417852|20.060285|3.294292|4.000211|6.636781|6.689134|5.487328|8.826322|17.530434|8.779879|0.213708|5.507216|6.872986|8.395804|3.756380|3.032793|2.559393|2.495104|2.854114|3.576043|2.100060|2.676609|0.055285|2.063129|1.705659|1.595737|1.427188|1.899345|2.689844|2.254759|1.320058|0.078448|0.092047|0.070953|0.062496|0.060187|0.123521|0.138273|0.215998|0.210534|0.500000| |2.727900|2.888384|2.495866|2.526081|21.977386|3.412315|4.174432|6.627786|7.787284|6.725396|8.856407|17.480120|8.832444|0.173612|6.807544|7.019320|8.383952|3.765651|3.027827|2.560275|2.503701|2.876128|3.611061|2.107633|2.618729|0.053697|1.977004|1.679961|1.553297|1.390800|1.836555|2.580868|2.169821|1.296731|0.072049|0.083740|0.067017|0.061861|0.063253|0.138721|0.196179|0.173837|0.216531|0.302935|0.500000| |3.026582|3.356353|2.841781|2.950323|27.931910|4.302893|5.899600|9.286965|12.575859|7.141394|5.847557|6.900094|8.839496|0.174421|17.499741|6.899012|10.287323|4.379162|3.670844|2.975396|2.757420|3.027733|3.784527|2.284137|2.771533|0.057627|2.008356|1.776644|1.636612|1.457391|1.922959|2.712360|2.291273|1.353427|0.075677|0.092723|0.075754|0.068435|0.072670|0.145177|0.214062|0.133504|0.131172|0.140320|0.202881|0.500000| |3.550442|3.803783|3.067329|3.062327|28.243704|4.850513|7.645631|14.538535|12.538258|5.685461|4.909426|5.516289|8.799717|0.215151|17.708254|6.859774|13.064279|5.114020|4.532517|3.452541|3.011867|3.173235|3.958641|2.451604|3.004473|0.063863|2.150474|1.905734|1.772680|1.566865|2.083624|2.977658|2.521244|1.435999|0.085258|0.113265|0.090088|0.073769|0.073949|0.127548|0.144904|0.127417|0.108173|0.123162|0.139865|0.301452|0.500000| |2.552525|2.515697|2.141107|2.087880|17.293940|2.822114|3.548690|6.481653|5.615526|3.852166|4.570330|7.001216|8.838508|0.213369|5.490490|17.552970|16.515716|7.046199|4.755345|3.789057|3.723238|4.564699|6.709652|2.911784|3.617210|0.074643|2.808608|2.203648|2.013995|1.751269|2.305582|3.307543|2.851950|1.596697|0.066693|0.081368|0.064869|0.054341|0.052389|0.089198|0.101910|0.119869|0.109418|0.208794|0.176899|0.141296|0.139980|0.500000| |2.453126|2.523363|2.173350|2.178945|18.695236|2.935574|3.732909|6.607009|6.309019|4.229913|4.544390|6.788646|8.809948|0.174430|6.896934|17.537504|16.509154|7.081800|4.787043|3.813232|3.739497|4.580471|6.727448|2.924090|3.472041|0.070941|2.588186|2.146797|1.931513|1.686192|2.198980|3.117804|2.690374|1.555543|0.063238|0.076431|0.062609|0.054458|0.054883|0.094934|0.119471|0.110791|0.109058|0.165857|0.206329|0.207337|0.170859|0.300199|0.500000| |2.482265|2.415147|2.068724|2.006359|16.333488|2.656114|3.299883|6.908227|4.492890|2.724898|2.705334|3.124153|4.135974|0.118440|4.107993|4.870539|13.570604|8.938310|17.748835|8.913465|5.615923|4.965442|5.649291|4.097580|4.955715|0.112660|3.323381|2.923538|2.686329|2.249902|2.980357|4.432315|3.943903|1.976958|0.062002|0.078141|0.067642|0.052925|0.050558|0.067761|0.072206|0.074793|0.065729|0.082343|0.081947|0.104092|0.139275|0.119954|0.120851|0.500000| |1.893367|1.847126|1.639880|1.604054|12.730299|1.985285|2.322635|4.616609|3.192101|2.050555|2.054253|2.335921|2.817273|0.078752|2.766363|3.327488|7.663882|5.649672|9.020343|17.672258|8.838961|5.645793|4.946903|6.997329|8.061415|0.198217|4.543378|4.464584|3.897633|3.056953|3.925442|5.919024|5.664764|2.605973|0.048481|0.057815|0.052207|0.042695|0.041270|0.052059|0.055615|0.056492|0.051753|0.063265|0.063237|0.074144|0.086787|0.088087|0.088743|0.216099|0.500000| |1.657791|1.642784|1.473690|1.460464|11.690637|1.784755|2.073589|3.868749|3.046782|2.086388|2.193743|2.646444|2.969915|0.078033|2.692641|3.887784|7.485906|5.659293|4.960954|5.645863|8.908055|17.693533|8.975604|6.980272|7.114091|0.126640|5.545624|3.951314|3.145143|2.579290|3.177470|4.469604|4.130634|2.362151|0.043570|0.050381|0.044300|0.038309|0.037840|0.051963|0.058201|0.058461|0.056837|0.074469|0.075252|0.076033|0.077040|0.112859|0.113200|0.107710|0.123751|0.500000| |2.006020|1.999817|1.758234|1.741656|14.268836|2.219861|2.673785|4.933155|4.097725|2.799853|3.034047|3.984437|4.629538|0.115107|3.859088|7.322755|12.496598|8.864293|5.618458|4.954705|5.638557|8.952706|17.775478|4.103055|4.713814|0.093024|3.658772|2.768152|2.400633|2.039523|2.612201|3.717242|3.302999|1.866116|0.052457|0.061995|0.052499|0.045103|0.044550|0.067331|0.077888|0.079129|0.076845|0.112185|0.114249|0.109085|0.106645|0.222801|0.222479|0.124008|0.107503|0.218276|0.500000| |1.475535|1.457879|1.323521|1.311192|10.341272|1.563416|1.779805|3.355023|2.540265|1.726026|1.771480|2.041096|2.285467|0.061584|2.170354|2.766046|5.519373|3.954878|4.181278|5.587633|8.828534|7.170448|4.720762|17.622673|12.343259|0.181412|7.042645|6.939133|4.550925|3.523191|4.078271|5.615423|5.457525|3.220903|0.038744|0.044336|0.040095|0.034685|0.034224|0.043874|0.048005|0.047835|0.046102|0.056747|0.057361|0.060818|0.063525|0.077565|0.078652|0.096116|0.141075|0.217357|0.112675|0.500000| |1.532522|1.513065|1.372032|1.357619|10.700264|1.621052|1.847281|3.533117|2.594509|1.730333|1.745746|1.982161|2.265642|0.061697|2.208921|2.682274|5.577270|3.979650|4.704988|7.011303|8.886607|5.744120|4.242993|17.622581|12.403464|0.221500|5.603444|7.356476|5.004537|3.772737|4.413696|6.204421|6.153325|3.335297|0.039907|0.046006|0.042037|0.035945|0.035398|0.044180|0.047876|0.047409|0.045044|0.054332|0.055144|0.061349|0.066259|0.073112|0.075164|0.110932|0.205670|0.146105|0.098109|0.301188|0.500000| |1.431764|1.390905|1.261795|1.236032|9.604791|1.468834|1.658364|3.127169|2.346215|1.618156|1.701739|1.954135|2.144467|0.059145|1.968426|2.556646|4.957601|3.396452|3.461172|4.202698|5.596143|5.329086|4.003294|6.967372|12.330421|0.181788|17.639832|6.933427|5.224468|4.000240|4.686335|6.550221|6.411850|3.515538|0.038026|0.043164|0.038867|0.033332|0.032247|0.041421|0.044440|0.046652|0.044595|0.055876|0.054035|0.054100|0.056699|0.075151|0.070267|0.082263|0.107683|0.165493|0.100967|0.213534|0.144411|0.500000| |1.462364|1.401993|1.269173|1.232196|9.480931|1.464195|1.646724|3.142888|2.288441|1.568110|1.648878|1.867130|2.064519|0.058256|1.896471|2.402184|4.741178|3.173501|3.379064|4.061907|4.761806|4.233160|3.464777|5.544590|12.301333|0.223612|17.681181|7.170542|6.854930|4.914609|6.031627|9.118778|9.507770|3.887747|0.038864|0.044185|0.039994|0.033698|0.032095|0.040435|0.042572|0.045852|0.043026|0.053497|0.050745|0.051239|0.055090|0.070503|0.064284|0.083038|0.109709|0.118077|0.086431|0.143770|0.126425|0.298263|0.500000| |1.636757|1.573437|1.408567|1.368796|10.672774|1.662349|1.905531|3.648282|2.681165|1.823954|1.933250|2.246932|2.532533|0.071034|2.278391|3.078145|6.195844|4.396667|4.548450|5.533053|7.126758|6.585680|5.061096|6.985745|12.325632|0.227174|17.694322|5.614252|4.752960|3.576846|4.475320|6.726432|6.713990|3.003707|0.043249|0.049987|0.044365|0.037101|0.035426|0.046404|0.049478|0.053458|0.049965|0.064533|0.061012|0.061436|0.066279|0.091650|0.081769|0.105090|0.135142|0.175946|0.120897|0.173803|0.142962|0.299191|0.299767|0.500000| |1.298649|1.267662|1.161841|1.142533|8.820982|1.333070|1.485689|2.806543|2.076146|1.424130|1.465803|1.643118|1.804375|0.049813|1.715182|2.080942|4.079426|2.723167|2.938910|3.664092|4.442719|3.789038|2.994316|6.538283|12.347890|0.182767|7.406262|17.620984|8.863078|6.425846|6.357661|8.098888|8.087215|5.781589|0.034401|0.038730|0.035644|0.030808|0.029992|0.036831|0.039253|0.040210|0.038487|0.046178|0.045544|0.047349|0.049980|0.059145|0.057649|0.072755|0.103348|0.110152|0.075122|0.192785|0.166960|0.219061|0.191695|0.146995|0.500000| |1.350553|1.322610|1.211407|1.193393|9.240752|1.394798|1.558138|2.966435|2.162826|1.464159|1.486028|1.656788|1.847509|0.051019|1.790594|2.118386|4.254914|2.857624|3.242011|4.225220|4.838856|3.786699|3.021675|7.532492|12.341596|0.210893|5.648176|17.616509|8.961206|6.216424|6.358103|8.344658|8.543782|5.356275|0.035507|0.040235|0.037281|0.032056|0.031308|0.037883|0.040354|0.040743|0.038758|0.045954|0.045849|0.049402|0.052979|0.058903|0.058691|0.081180|0.127968|0.103728|0.073946|0.189186|0.244086|0.147401|0.143291|0.126683|0.302416|0.500000| |1.120744|1.094418|1.016865|1.000576|7.610846|1.137733|1.242275|2.342511|1.708897|1.175077|1.192918|1.300973|1.414330|0.039331|1.375788|1.567197|3.044697|1.935252|2.112817|2.484818|2.669070|2.336991|2.015429|3.329986|5.292482|0.101973|3.364108|5.575465|6.331682|8.910386|8.235478|8.167889|6.342839|17.566475|0.029774|0.032986|0.031125|0.027191|0.026479|0.030845|0.032368|0.032915|0.031499|0.036287|0.035952|0.037916|0.040171|0.043885|0.043305|0.055284|0.073836|0.065587|0.051631|0.091784|0.097895|0.092345|0.097490|0.079280|0.156046|0.162515|0.500000| |1.078276|1.046390|0.973920|0.954094|7.203277|1.079971|1.172814|2.210961|1.605740|1.109259|1.131882|1.227666|1.326250|0.037144|1.282348|1.456457|2.809019|1.761525|1.905702|2.188934|2.318166|2.072592|1.823804|2.764169|4.483959|0.088756|3.051352|4.321954|5.444303|8.996786|10.111012|8.774757|6.045137|17.630447|0.028784|0.031698|0.029996|0.026160|0.025268|0.029242|0.030426|0.031409|0.029966|0.034439|0.033756|0.035145|0.037281|0.041080|0.039940|0.050327|0.064478|0.058096|0.047159|0.075735|0.078556|0.082958|0.092620|0.073011|0.121640|0.115460|0.301090|0.500000| 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