Version2.1 2021-01-10T06:31:49Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 26-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(oc1)[C@H](CNS(=O)(=O)c2ccc(c(c2)Cl)F)[NH+]3CCN(CC3)c4ccc(cc4)F C38597804 RHF 6-31G(d) (6D,7F) c1cc(oc1)[C@H](CNS(=O)(=O)c2ccc(c(c2)Cl)F)[NH+]3CCN(CC3)c4ccc(cc4)F C01[X(C22H23Cl1F2N3O3S1)] 159 C1 534 Fc1ccc(cc1)N1CC[NH+](CC1)[C@H](c1ccco1)CNS(=O)(=O)c1ccc(c(c1)Cl)F Fc1ccc(cc1)N1CC[NH+](CC1)[C@H](c1ccco1)CNS(=O)(=O)c1ccc(c(c1)Cl)F Fc1ccc(cc1)N2CC[NH+](CC2)[C@@H](CN[S](=O)(=O)c3ccc(F)c(Cl)c3)c4occc4 InChIKey=BOISCPBRHCBSLD-NRFANRHFSA-O InChI=1S/C22H22ClF2N3O3S/c23-19-14-18(7-8-20(19)25)32(29,30)26-15-21(22-2-1-13-31-22)28-11-9-27(10-12-28)17-5-3-16(24)4-6-17/h1-8,13-14,21,26H,9-12,15H2/p+1/t21-/m0/s1 InChI=1/C22H22ClF2N3O3S/c23-19-14-18(7-8-20(19)25)32(29,30)26-15-21(22-2-1-13-31-22)28-11-9-27(10-12-28)17-5-3-16(24)4-6-17/h1-8,13-14,21,26H,9-12,15H2/p+1/t21-/m0/s1/fC22H23ClF2N3O3S/h28H/q+1 c1cc(oc1)[C@H](CNS(=O)(=O)c2ccc(c(c2)Cl)F)[NH+]3CCN(CC3)c4ccc(cc4)F C01[X(C22H23Cl1F2N3O3S1)] 159 C01 534 Fc1ccc(cc1)N1CC[NH+](CC1)[C@H](c1ccco1)CNS(=O)(=O)c1ccc(c(c1)Cl)F F[C]1[CH][CH][C]([CH][CH]1)[N@@]1CC[NH](CC1)[C@H](C1=[CH][CH]=CO1)CN[S@]([O])(=O)[C]1[CH][CH][C]([C]([CH]1)Cl)F [O][S](=O)(NC[C@H]([NH]1CCN(CC1)[C]2[CH][CH][C](F)[CH][CH]2)c3occc3)[C]4[CH][CH][C](F)[C](Cl)[CH]4 InChIKey=LDXQAPSGVVKVIT-NRFANRHFSA-N InChI=1S/C22H23ClF2N3O3S/c23-19-14-18(7-8-20(19)25)32(29,30)26-15-21(22-2-1-13-31-22)28-11-9-27(10-12-28)17-5-3-16(24)4-6-17/h1-8,13-14,21,28H,9-12,15H2,(H,26,29,30)/t21-/m0/s1 InChI=1/C22H23ClF2N3O3S/c23-19-14-18(7-8-20(19)25)32(29,30)26-15-21(22-2-1-13-31-22)28-11-9-27(10-12-28)17-5-3-16(24)4-6-17/h1-8,13-14,21,28H,9-12,15H2,(H,26,29,30)/t21-/m0/s1/f/h26H 3638.5995503173 -2289.9756151 1-A 20490.0381 125 409 534 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0.7484 0.8571 0.8291 0.4460 0.7247 0.2770 0.2344 0.3180 0.1910 0.8478 0.4477 0.4448 0.0360 0.8247 0.8569 0.6089 0.8373 0.8111 0.4129 0.8153 0.3269 0.3125 0.4115 0.7057 0.5387 0.2683 0.4011 0.4071 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 6 6 6 8 6 6 1 6 7 16 8 8 6 6 6 6 6 6 17 9 7 1 6 6 7 6 6 6 6 6 6 6 6 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 14.00307 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 18.99840 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12058.1532 30499.3529 35586.8583 0.99998 -0.00024 0.00580 0.00017 0.99992 0.01262 -0.00580 -0.01262 0.99990 1 0.00718 0.00284 0.00243 0.14967 0.05917 0.05071 17.33 26.90 29.98 36.90 42.39 74.82 88.79 93.37 109.90 118.30 141.50 192.89 210.68 236.91 253.45 267.53 308.37 309.91 351.56 369.87 396.90 400.04 440.68 443.43 456.11 488.84 521.35 527.22 595.09 621.01 667.16 674.41 683.56 700.12 718.50 720.36 754.42 757.81 768.61 797.58 818.28 842.22 858.57 891.20 911.75 937.22 941.82 964.77 1006.22 1052.20 1084.15 1138.70 1141.51 1148.22 1155.83 1177.20 1262.84 1269.47 1302.85 1322.27 1337.93 1343.98 1362.64 1373.15 1377.05 1391.40 1400.56 1416.39 1463.35 1469.77 1492.04 1495.19 1499.15 1552.97 1581.13 1585.07 1591.36 1595.30 1600.12 1624.38 1642.97 1659.60 1675.58 1693.63 1704.44 1714.44 1720.68 1729.95 1745.34 1773.22 1808.32 1819.49 1829.07 1841.38 1848.00 1866.33 1885.02 1909.35 1930.89 1946.93 1991.30 2001.84 2015.71 2021.87 2035.73 2060.77 2063.90 2070.04 2089.85 2105.21 2132.68 2148.68 2189.21 2214.45 2223.69 2225.13 2236.93 2249.29 2253.71 2285.19 2300.88 2308.51 2337.42 2349.66 2364.29 2369.98 2373.42 2398.79 2408.61 2437.59 2443.96 2549.38 2574.14 2577.15 2611.08 2618.80 4534.52 4579.01 4708.84 4719.26 4741.03 4744.94 4753.96 4761.42 4797.51 4807.45 4847.65 4855.54 4875.19 4902.21 4902.79 4905.03 4921.29 4933.66 4946.85 4977.62 5024.80 5191.76 5500.33 0.467914 0.494347 0.495291 0.406157 -2289.507701 -2289.481268 -2289.480324 -2289.569458 2.989569D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2021 DUDE c1cc(oc1)[C@H](CNS(=O)(=O)c2ccc(c(c2)Cl)F)[NH+]3CCN(CC3)c4ccc(cc4)F C38597804 RHF 6-31G(d) (6D,10F) C1 482.111673 |X|Y|Z| 117.801707 68.144640 44.374077 70.887698 27 6 7 8 16 22 3 1 1 |36.858105| |13.247234|36.858105| |8.575261|14.198490|36.858105| |8.618038|8.622977|14.104166|73.516695| |14.227037|8.605128|8.776147|25.155214|36.858105| |5.148790|7.350530|12.782336|13.954885|5.340317|36.858105| |4.683503|6.959234|9.111228|10.308820|4.489126|17.642532|0.500000| |4.164896|5.124460|7.565945|11.786995|4.617159|12.382743|0.248619|36.858105| |3.223623|3.898247|5.035621|7.865880|3.424894|7.711812|0.203833|13.086445|53.358707| |2.646234|3.051906|3.788628|6.328626|2.850403|5.169415|0.133416|6.987329|15.800631|388.023441| |2.307347|2.659119|3.141851|5.151767|2.416425|4.117428|0.114724|4.984267|10.625532|95.288893|73.516695| |2.760571|3.171181|4.010119|6.796793|3.013370|5.462788|0.132601|6.460186|10.692627|93.939112|13.535477|73.516695| |2.420566|2.662874|3.239254|5.792037|2.673227|3.975609|0.100703|5.497706|9.349386|76.914789|13.048040|13.069952|36.858105| |2.162091|2.357347|2.769339|4.915269|2.347275|3.286885|0.086679|4.346946|7.353188|49.773545|11.419438|8.803927|13.704352|36.858105| |1.990502|2.117575|2.445171|4.450061|2.174883|2.776955|0.072905|3.542757|5.466765|33.828642|7.832273|6.820947|7.976571|13.814477|36.858105| |2.010504|2.099972|2.434612|4.565522|2.237876|2.700911|0.069338|3.404054|4.929200|30.127129|6.597835|6.606199|6.964462|7.991057|13.781930|36.858105| |2.206955|2.300545|2.725699|5.220472|2.506457|3.033707|0.075661|3.856434|5.385770|33.755561|6.846942|7.897984|7.969838|6.836254|7.882530|13.752475|36.858105| |2.448845|2.618920|3.200173|6.023770|2.782302|3.741092|0.091466|4.973798|7.165591|49.632908|8.882103|11.620921|13.737606|7.872678|6.847110|7.989213|13.789946|36.858105| |2.118442|2.145307|2.501813|4.944285|2.439453|2.663011|0.066009|3.190112|4.216517|24.981746|5.222757|6.336769|4.778483|4.222849|4.762708|7.045686|11.045262|7.047942|448.794386| |1.829583|1.881779|2.139508|4.038747|2.028903|2.312418|0.059845|2.813309|3.976720|23.334019|5.288275|5.291410|4.710218|5.334503|8.220733|14.551933|8.184750|5.324443|52.325263|97.533100| |4.175804|5.404259|7.572849|10.540627|4.372007|12.513383|0.254556|7.569756|8.624750|37.495226|7.490324|11.746406|3.868158|3.119386|2.635765|2.593409|2.967861|3.720772|21.259910|4.999823|53.358707| |3.485601|4.315188|5.735307|8.633143|3.686806|9.291423|0.213401|7.691232|10.375370|49.241920|9.392982|17.195582|4.549049|3.548790|2.911435|2.828956|3.251811|4.230419|22.598129|5.358966|25.576988|0.500000| |4.154481|4.819140|6.510162|11.143646|4.658079|7.454064|0.155632|5.781628|6.423050|31.252533|6.216738|10.373138|3.589205|2.874652|2.513253|2.566094|3.025731|3.732476|22.765595|5.004670|17.234401|0.261675|36.858105| |3.203052|3.591497|4.339452|7.473194|3.464921|4.918124|0.116420|4.184363|5.221134|27.948264|5.851953|9.622638|3.234667|2.630055|2.319280|2.371613|2.779263|3.372043|21.266014|4.672109|10.469543|0.202646|12.525164|36.858105| |3.077785|3.517687|3.983739|6.489403|3.154614|4.426035|0.112546|3.587719|4.600602|23.884378|5.300778|7.605413|2.736371|2.307181|2.040319|2.051426|2.330998|2.757749|17.763378|4.092881|9.066693|0.168414|7.852869|13.138894|53.358707| |3.056587|3.676544|4.135752|6.305429|3.036738|4.949575|0.134510|3.871594|5.183818|26.211434|5.997092|8.082732|2.844944|2.419801|2.098709|2.061547|2.301309|2.748386|17.017812|4.084240|10.450574|0.200075|6.647550|7.957576|17.914747|36.858105| |3.834234|5.027952|5.859345|8.027893|3.723646|7.596110|0.212907|5.031540|6.382401|28.949187|6.424509|8.514530|3.075257|2.606791|2.237644|2.181294|2.428247|2.924894|17.685397|4.292061|17.291915|0.258494|7.739358|6.652162|10.671392|12.519335|36.858105| |2.549359|2.813822|3.074884|5.158891|2.603433|3.322347|0.086754|2.850345|3.752340|20.101529|4.609136|6.220174|2.383674|2.050630|1.841368|1.858482|2.092517|2.418052|16.213822|3.756843|6.076629|0.119782|5.102729|7.830095|18.050127|7.845945|5.099148|36.858105| |2.468600|2.656788|2.801543|4.757599|2.488621|2.888323|0.076097|2.479783|3.216495|16.889304|3.903596|5.031242|2.060469|1.803188|1.642934|1.665178|1.858955|2.102598|14.634160|3.409901|4.953884|0.095073|4.157961|5.514722|10.690919|5.550476|4.163141|13.738246|36.858105| |2.104079|2.230334|2.328216|3.999568|2.121171|2.395516|0.063788|2.117659|2.786934|14.832929|3.486149|4.335990|1.844117|1.636074|1.505374|1.527463|1.690892|1.883837|13.419844|3.157032|3.954333|0.077752|3.236888|4.104597|6.996576|4.122113|3.239842|7.909987|13.759190|36.858105| |1.901229|2.023718|2.136960|3.677346|1.930668|2.245318|0.060013|2.030174|2.726731|14.862904|3.537115|4.350317|1.852107|1.647996|1.516643|1.536226|1.696108|1.887221|13.425633|3.175799|3.701340|0.074961|2.977531|3.819892|6.190123|3.825819|2.977433|6.920184|8.018095|13.821775|36.858105| |1.930887|2.082921|2.242223|3.839132|1.976094|2.421730|0.064584|2.210831|3.020281|16.857098|4.024861|5.031927|2.070581|1.826191|1.665116|1.680641|1.863646|2.099675|14.583776|3.444259|4.084425|0.085000|3.254768|4.355508|6.936934|4.349233|3.251095|7.906950|6.867094|7.896088|13.810698|36.858105| |2.202152|2.418353|2.655752|4.494878|2.263787|2.933792|0.077439|2.631690|3.587951|20.051304|4.702639|6.212394|2.389194|2.065696|1.855489|1.867842|2.094250|2.413626|16.168883|3.777317|5.214010|0.109210|4.194479|6.164829|10.476466|6.139359|4.186001|13.704023|7.947779|6.864584|8.015611|13.767804|36.858105| |1.688946|1.779700|1.862470|3.225098|1.711958|1.942468|0.052233|1.781873|2.404012|13.122808|3.155644|3.765814|1.662287|1.497837|1.391046|1.409869|1.543458|1.694246|12.293658|2.940105|3.114538|0.063339|2.473678|3.035854|4.703935|3.039774|2.473770|4.673347|5.318092|8.181463|14.393752|8.183207|5.318940|97.533100| |17.813984|8.452336|5.845796|10.443216|8.827457|4.040366|0.106334|3.396270|3.744539|16.418863|3.649500|4.253530|2.136386|1.938615|1.803817|1.821514|1.977675|2.159987|15.385950|3.774161|4.671322|0.081668|3.431344|2.782433|3.714656|2.706092|3.281098|2.323932|2.295243|1.984961|1.789083|1.797004|2.018755|3.609875|0.500000| |8.457262|17.785561|8.814862|10.439592|5.857738|6.353255|0.192442|4.494162|4.993440|20.503848|4.603623|5.255632|2.478395|2.227663|1.994124|1.952861|2.109762|2.393120|15.688192|3.950609|6.714032|0.112059|4.194527|3.305409|4.601618|3.677395|5.068961|2.740706|2.602933|2.197698|1.995202|2.047908|2.364747|3.959874|0.193563|0.500000| |8.617128|5.817974|6.034121|16.490410|17.838785|4.274892|0.101397|3.963545|4.141424|18.652520|3.966367|4.933659|2.542347|2.247115|2.121973|2.220221|2.495355|2.706994|20.064276|4.587108|5.027598|0.089548|4.087596|3.177371|3.889826|2.696569|3.168336|2.420839|2.336968|2.020683|1.846086|1.880677|2.128446|3.712364|0.195108|0.123156|0.500000| |3.997930|4.573949|6.668245|12.426819|4.730209|8.752305|0.174360|17.637163|12.335719|48.529767|8.227637|12.359869|6.085258|4.515772|3.771455|3.797041|4.562105|6.118767|30.444591|6.968547|9.385249|0.197219|6.271141|4.465607|4.918292|3.692340|4.517391|2.893087|2.513545|2.150337|2.066111|2.253654|2.681412|4.078805|0.090913|0.108670|0.117360|0.500000| |4.369437|5.250737|7.221176|11.616750|4.802693|8.945814|0.212229|17.624478|12.492122|38.749998|7.577379|8.564828|4.833319|4.132049|3.481384|3.324960|3.638615|4.404329|24.404711|6.293851|7.555636|0.150464|4.559033|3.442778|4.146234|3.259937|4.158594|2.488523|2.218754|1.919391|1.835491|1.973058|2.301951|3.665688|0.099381|0.127505|0.114569|0.305173|0.500000| |3.018664|3.628389|4.428351|6.891485|3.133503|6.183799|0.181295|9.020181|25.931747|60.668266|13.287789|10.247528|6.032715|5.403332|4.019530|3.485118|3.620921|4.536662|22.774019|6.413267|6.781548|0.156878|3.837899|3.221778|3.998404|3.331402|4.049652|2.454673|2.139541|1.877074|1.840283|2.023111|2.361878|3.687535|0.072785|0.097370|0.077746|0.183162|0.231405|0.500000| |2.087471|2.302747|2.665894|4.613166|2.223530|3.192731|0.086930|4.111805|7.333580|47.405595|12.957962|8.099695|8.880006|17.752948|8.939030|5.670012|4.936121|5.617889|27.388336|9.645438|4.101852|0.095317|2.701871|2.487926|3.040010|2.390432|2.582426|1.990665|1.752807|1.594155|1.608233|1.781961|2.010166|3.295909|0.052263|0.061394|0.058602|0.112369|0.109833|0.161087|0.500000| |1.832127|1.941026|2.200592|3.978456|1.979096|2.465387|0.065800|3.057181|4.690167|27.828859|6.813425|5.708520|5.644716|8.875135|17.753985|8.983757|5.643305|4.942180|31.703304|16.867486|3.174001|0.070751|2.215563|2.060078|2.508690|1.903402|2.023454|1.678669|1.510426|1.393544|1.405574|1.535244|1.694386|2.920033|0.046568|0.051230|0.053749|0.088261|0.085042|0.098582|0.213170|0.500000| |2.612759|2.788592|3.468280|6.648719|3.014026|4.046865|0.095884|5.180171|6.995771|47.068489|8.207030|13.408065|8.881900|5.615437|4.943814|5.676240|8.961238|17.776713|53.806208|9.636924|5.732001|0.133096|4.464443|4.027243|4.281326|3.051015|3.214736|2.726214|2.344314|2.078471|2.074762|2.318562|2.703224|4.148553|0.063486|0.069974|0.081520|0.188122|0.122063|0.118133|0.123672|0.107435|0.500000| |4.973779|5.631062|7.286265|12.761817|5.564989|6.812456|0.146806|5.028258|5.454897|25.659687|5.294691|7.866227|3.069821|2.541381|2.265784|2.320725|2.693847|3.199336|20.739350|4.607311|12.374822|0.182585|17.678237|8.861865|9.686297|5.875333|7.071206|4.829581|4.243166|3.266493|2.904800|3.057683|3.814408|5.461072|0.112217|0.131580|0.132274|0.147377|0.117839|0.094302|0.066794|0.056196|0.103374|0.500000| |4.019877|4.452997|6.185294|12.033102|4.798160|6.965902|0.141576|6.413258|6.814842|34.000480|6.436655|11.417676|4.112200|3.190061|2.801884|2.921952|3.564580|4.496541|26.928424|5.631931|12.326855|0.225947|17.665914|8.812174|7.690202|4.967352|5.630075|4.173120|3.500950|2.850262|2.677156|2.930258|3.650399|5.110209|0.092038|0.105369|0.120959|0.221785|0.138537|0.111003|0.081116|0.067518|0.157360|0.300169|0.500000| |3.060252|3.278210|3.857705|7.020559|3.370503|4.087980|0.097402|3.614151|4.457729|24.028807|5.082997|7.932427|2.948191|2.428235|2.190877|2.281231|2.689389|3.172938|21.358159|4.556011|7.629443|0.147101|8.998505|17.612771|12.506253|5.729378|4.974379|7.322321|5.710052|4.325445|3.966450|4.375708|5.823400|7.114513|0.074864|0.083040|0.088484|0.109860|0.085369|0.077933|0.063260|0.054254|0.105930|0.216803|0.212934|0.500000| |2.830677|3.174185|3.842550|6.628476|3.066127|4.574463|0.110311|4.187022|5.539068|32.057682|6.662588|12.028029|3.630225|2.892831|2.518668|2.567520|3.033830|3.770679|22.783164|4.996910|9.375607|0.213795|8.857897|17.473450|12.186271|7.050241|5.780890|6.722777|4.684006|3.738543|3.695129|4.451569|6.367919|6.703176|0.068854|0.082103|0.078993|0.125256|0.094481|0.093948|0.075680|0.061628|0.126834|0.173740|0.215156|0.301883|0.500000| |2.849132|3.393590|3.618963|5.524215|2.759351|4.122468|0.116790|3.278978|4.420736|22.181323|5.251687|6.502024|2.475214|2.158248|1.892691|1.852938|2.038694|2.384080|15.189659|3.712797|7.622262|0.145498|4.975511|5.724719|12.499215|17.613245|8.983066|7.326107|5.767174|4.354038|3.972166|4.358333|5.775863|7.123653|0.071644|0.097334|0.068412|0.086186|0.079359|0.081516|0.059790|0.048235|0.072279|0.131782|0.109191|0.128029|0.143316|0.500000| |2.718968|3.232359|3.684575|5.720491|2.737525|4.592390|0.126295|3.849211|5.482974|29.326097|6.887546|9.226469|3.073070|2.602363|2.226439|2.165537|2.410277|2.912524|17.532009|4.257284|9.336066|0.209988|5.757621|7.048285|12.202740|17.437276|8.869302|6.745705|4.712633|3.757059|3.706162|4.452743|6.353846|6.720181|0.067188|0.089672|0.068395|0.102028|0.089153|0.097602|0.071895|0.055949|0.089234|0.133995|0.129149|0.143422|0.207264|0.302066|0.500000| |3.545070|4.717937|5.284382|7.129811|3.368953|7.148030|0.239773|4.964206|6.746787|29.549037|6.869931|8.111851|3.065109|2.652194|2.252257|2.153613|2.352161|2.821193|16.843376|4.233499|12.372068|0.223556|5.630692|4.982270|7.690550|8.828484|17.619240|4.176115|3.507564|2.855263|2.680110|2.931156|3.649626|5.115634|0.085599|0.139684|0.079934|0.117729|0.116577|0.123335|0.074569|0.057003|0.083790|0.143993|0.126681|0.109338|0.130142|0.212408|0.217029|0.500000| |4.462030|6.012310|6.436824|8.580170|4.144131|6.961178|0.193814|4.522852|5.444000|24.353921|5.427637|6.950435|2.729687|2.351832|2.058150|2.024065|2.244834|2.644297|16.663688|4.032356|12.406785|0.181504|7.045190|5.830468|9.580861|8.822422|17.637117|4.793575|4.222402|3.254057|2.892645|3.041939|3.788947|5.442349|0.105835|0.171846|0.095903|0.114322|0.109056|0.098618|0.064485|0.052067|0.080479|0.212793|0.144010|0.130758|0.133615|0.216213|0.173443|0.299282|0.500000| |2.723393|2.907136|3.004931|5.096524|2.713053|2.997995|0.078819|2.521483|3.202333|16.404481|3.764268|4.823395|2.011073|1.764255|1.611734|1.635364|1.823514|2.054970|14.396478|3.356350|5.044891|0.093581|4.271705|5.242591|9.922214|5.288410|4.282102|8.954261|17.734212|8.914846|5.678582|4.950301|5.658287|9.611348|0.070675|0.079052|0.070431|0.070726|0.063197|0.059320|0.047618|0.041208|0.063510|0.128434|0.098733|0.151681|0.118619|0.153926|0.119424|0.098965|0.127963|0.500000| |2.015698|2.107374|2.164742|3.740303|2.019023|2.187499|0.058496|1.940147|2.539461|13.390049|3.156322|3.849334|1.685442|1.508427|1.397955|1.420488|1.563895|1.724248|12.493057|2.956262|3.514466|0.068605|2.858712|3.452137|5.666643|3.468222|2.862513|5.620054|8.853238|17.747141|8.962580|5.642746|4.950250|16.728755|0.053477|0.057858|0.053772|0.054651|0.049426|0.047886|0.040866|0.036117|0.052494|0.081746|0.070854|0.101797|0.087246|0.102590|0.087685|0.070993|0.081518|0.212659|0.500000| |1.765923|1.899840|2.046328|3.516283|1.811043|2.222755|0.059583|2.070293|2.869816|16.281775|3.946266|4.800589|2.020136|1.796770|1.644274|1.656586|1.825519|2.042643|14.271105|3.405851|3.678116|0.077859|2.880206|3.720639|5.610474|3.711069|2.876003|5.617678|4.951563|5.643261|8.959221|17.747188|8.857524|16.738826|0.045780|0.051962|0.048103|0.058655|0.051559|0.053757|0.048817|0.042263|0.062107|0.074563|0.073700|0.103287|0.109566|0.102713|0.109418|0.073694|0.074208|0.107522|0.124622|0.500000| |2.179286|2.416363|2.700681|4.554455|2.255528|3.079045|0.081256|2.820131|3.945550|22.819005|5.380901|7.251623|2.664935|2.281568|2.025533|2.027244|2.279127|2.666364|17.311393|4.059458|5.540490|0.121844|4.320836|6.312486|9.546560|6.250007|4.305086|8.878540|5.642391|4.947162|5.688470|8.966403|17.710623|9.636438|0.055102|0.065505|0.058780|0.079869|0.067663|0.071594|0.061712|0.051101|0.083065|0.104417|0.106427|0.155829|0.206820|0.153533|0.204399|0.106256|0.103677|0.124207|0.107472|0.214381|0.500000| 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