Version2.1 2021-01-12T21:14:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 02-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]1CCN(c2ccccc2S1)C(=O)CSc3ccc(cn3)S(=O)(=O)N4CC[NH+](CC4)C C08779729 RHF 6-31G(d) (6D,7F) C[C@H]1CCN(c2ccccc2S1)C(=O)CSc3ccc(cn3)S(=O)(=O)N4CC[NH+](CC4)C C01[X(C22H29N4O3S3)] 177 C1 550 C[C@H]1CCN(c2c(S1)cccc2)C(=O)CSc1ccc(cn1)S(=O)(=O)N1CC[NH+](CC1)C C[C@H]1CCN(c2c(S1)cccc2)C(=O)CSc1ccc(cn1)S(=O)(=O)N1CC[NH+](CC1)C C[C@H]1CCN(C(=O)CSc2ccc(cn2)[S](=O)(=O)N3CC[NH+](C)CC3)c4ccccc4S1 InChIKey=RGHFTDPAKDFUMF-KRWDZBQOSA-O InChI=1S/C22H28N4O3S3/c1-17-9-10-26(19-5-3-4-6-20(19)31-17)22(27)16-30-21-8-7-18(15-23-21)32(28,29)25-13-11-24(2)12-14-25/h3-8,15,17H,9-14,16H2,1-2H3/p+1/t17-/m0/s1 InChI=1/C22H28N4O3S3/c1-17-9-10-26(19-5-3-4-6-20(19)31-17)22(27)16-30-21-8-7-18(15-23-21)32(28,29)25-13-11-24(2)12-14-25/h3-8,15,17H,9-14,16H2,1-2H3/p+1/t17-/m0/s1/fC22H29N4O3S3/h24H/q+1 C[C@H]1CCN(c2ccccc2S1)C(=O)CSc3ccc(cn3)S(=O)(=O)N4CC[NH+](CC4)C C01[X(C22H29N4O3S3)] 177 C01 550 C[C@H]1CCN(c2c(S1)cccc2)C(=O)CSc1ccc(cn1)S(=O)(=O)N1CC[NH+](CC1)C C[NH]1CCN(CC1)S(=O)(=O)[C]1[CH][CH][C]([N][CH]1)SCC(=O)N1CC[C@@H](S[C]2[C]1[CH][CH][CH][CH]2)C C[C@H]1CCN([C]2[CH][CH][CH][CH][C]2S1)C(=O)CS[C]3[CH][CH][C]([CH][N]3)[S](=O)(=O)N4CC[NH](C)CC4 InChIKey=QGAMFLMXFOZGER-KRWDZBQOSA-N InChI=1S/C22H29N4O3S3/c1-17-9-10-26(19-5-3-4-6-20(19)31-17)22(27)16-30-21-8-7-18(15-23-21)32(28,29)25-13-11-24(2)12-14-25/h3-8,15,17,24H,9-14,16H2,1-2H3/t17-/m0/s1 InChI=1/C22H29N4O3S3/c1-17-9-10-26(19-5-3-4-6-20(19)31-17)22(27)16-30-21-8-7-18(15-23-21)32(28,29)25-13-11-24(2)12-14-25/h3-8,15,17,24H,9-14,16H2,1-2H3/t17-/m0/s1 3794.1091137478 -2484.6280153 1-A 25075.2138 130 420 550 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 9193.3715 40002.2562 41694.3398 0.99995 0.00867 -0.00418 -0.00883 0.99913 -0.04085 0.00382 0.04088 0.99916 1 0.00942 0.00217 0.00208 0.19631 0.04512 0.04329 13.67 15.65 33.11 41.06 58.21 62.35 89.91 104.41 108.53 125.05 136.68 176.77 192.52 214.48 232.94 256.14 273.27 291.67 297.69 342.13 346.97 365.67 400.44 420.12 423.12 447.97 451.27 470.73 498.93 506.80 517.32 555.23 595.76 597.53 608.65 625.42 660.85 679.50 703.21 705.75 751.42 753.94 758.80 770.43 792.13 813.37 815.33 826.76 911.48 933.78 952.69 969.77 1000.89 1010.57 1025.04 1094.39 1116.29 1176.77 1181.05 1209.09 1215.57 1237.56 1251.60 1279.86 1304.34 1304.45 1349.60 1415.54 1441.66 1446.66 1459.63 1469.94 1479.44 1520.97 1547.10 1568.75 1575.25 1577.93 1598.42 1603.62 1619.75 1621.33 1626.49 1633.54 1637.28 1646.37 1670.91 1697.76 1710.84 1713.79 1717.68 1731.62 1738.57 1772.75 1788.51 1816.42 1831.47 1839.33 1843.96 1875.75 1880.90 1891.93 1895.49 1899.61 1907.70 1950.94 1980.19 1987.65 2034.82 2041.43 2057.36 2066.28 2093.78 2105.07 2129.78 2141.51 2143.36 2177.07 2191.90 2199.26 2213.30 2215.60 2226.69 2253.00 2255.93 2259.62 2277.19 2291.54 2299.12 2313.55 2314.89 2333.12 2337.02 2354.36 2358.67 2359.20 2360.46 2361.88 2364.47 2365.03 2369.61 2380.12 2380.99 2490.17 2542.01 2569.37 2578.45 2781.10 4565.33 4573.16 4606.16 4622.11 4666.38 4680.10 4693.57 4706.12 4717.13 4719.92 4721.72 4733.67 4737.26 4787.65 4805.24 4806.72 4814.49 4815.22 4817.56 4839.95 4846.05 4846.37 4859.94 4878.85 4888.98 4890.86 4899.07 4910.73 5294.80 0.540608 0.569215 0.570160 0.476764 -2484.087407 -2484.058800 -2484.057856 -2484.151251 3.132484D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2021 DUDE C[C@H]1CCN(c2ccccc2S1)C(=O)CSc3ccc(cn3)S(=O)(=O)N4CC[NH+](CC4)C C08779729 RHF 6-31G(d) (6D,10F) C1 493.140181 |X|Y|Z| 140.466117 55.860879 47.155315 71.790999 27 6 7 16 20 4 3 |36.858105| |12.450558|36.858105| |8.888821|17.574895|0.500000| |7.554205|12.441499|0.245489|36.858105| |4.857392|7.345581|0.188333|12.473773|36.858105| |4.178523|6.060636|0.153162|7.598727|12.999641|53.358707| |3.949810|5.698935|0.156819|5.724739|7.700459|18.198653|36.858105| |3.116603|4.134038|0.119226|4.194416|5.570302|10.666907|13.739696|36.858105| |2.818041|3.576208|0.105837|3.414191|4.122302|6.999411|7.916150|13.754936|36.858105| |3.020906|3.785859|0.113308|3.368744|3.782732|6.173956|6.864049|7.955483|13.763893|36.858105| |3.769897|4.894809|0.144950|4.031007|4.291124|6.990716|7.935093|6.894202|7.943141|13.751992|36.858105| |4.593595|6.722298|0.186086|5.531875|5.992139|10.601534|13.655488|7.910508|6.836226|7.899607|13.707199|36.858105| |7.029449|10.351520|0.222057|6.727278|5.637794|8.469124|6.856408|4.688588|4.171533|4.713293|6.945441|10.697667|388.023441| |3.652808|4.758980|0.116041|5.965986|7.871086|19.088199|7.768847|5.808329|4.187508|3.740952|4.130869|5.658700|36.680518|36.858105| |3.516706|4.327036|0.104326|5.809326|7.040138|11.559135|5.364236|4.350488|3.345139|3.043538|3.331071|4.320401|30.661531|15.877924|73.516695| |3.094460|3.824108|0.095697|4.236350|5.008903|10.567856|6.717126|5.653216|4.340664|3.892446|4.177193|5.309337|32.948370|12.520061|14.277146|36.858105| |2.604914|3.004294|0.075160|3.365666|3.730638|6.508513|4.118654|3.731492|3.114086|2.862593|3.016802|3.571199|24.406571|7.051588|12.176838|10.493403|388.023441| |2.255836|2.546487|0.065075|2.699668|2.927431|4.980287|3.497813|3.335832|2.969838|2.779883|2.860554|3.186899|21.380671|4.634403|7.593050|6.912561|77.205163|36.858105| |1.977192|2.176245|0.055961|2.306135|2.458341|3.981944|2.786350|2.692908|2.452036|2.315724|2.366501|2.583585|17.734412|3.573799|6.184830|4.658288|50.121324|13.531267|36.858105| |1.792918|1.952613|0.050753|2.027044|2.142099|3.418838|2.466519|2.424371|2.277597|2.179082|2.202247|2.336505|15.976826|2.934305|5.013924|3.712925|34.073891|7.984067|13.944652|36.858105| |1.807471|1.977935|0.051791|2.012344|2.128365|3.431491|2.562155|2.549018|2.454603|2.374510|2.376395|2.464343|16.550091|2.867637|4.747146|3.691544|30.354424|7.031575|8.012424|13.601641|36.858105| |2.013617|2.245223|0.058779|2.265151|2.421630|4.027738|3.085019|3.075390|2.966270|2.867439|2.862851|2.963874|19.357268|3.359551|5.347508|4.587844|34.706828|8.378055|7.021616|7.964708|13.788200|36.858105| |2.273668|2.588422|0.066925|2.656058|2.884056|4.991510|3.749834|3.650328|3.360180|3.182370|3.232778|3.492864|22.579284|4.366680|6.753870|6.685899|50.572463|14.431224|7.966267|6.870818|8.023047|14.422777|53.358707| |1.589428|1.714216|0.045381|1.720930|1.801656|2.832373|2.143347|2.156395|2.135574|2.098175|2.079305|2.100439|14.177152|2.289290|3.820448|2.794379|21.802321|4.271511|4.759036|6.932528|10.874875|6.986200|6.526020|388.023441| |1.575338|1.708453|0.045682|1.696228|1.785321|2.813237|2.179750|2.231972|2.265775|2.238620|2.178657|2.150227|14.219255|2.225007|3.655529|2.705518|19.970220|3.758313|3.854923|4.945800|7.369856|6.470808|6.094787|95.072627|73.516695| |1.455357|1.560311|0.041378|1.582368|1.657536|2.568257|1.914430|1.931460|1.898653|1.848168|1.827936|1.858652|12.623620|2.079601|3.534842|2.476454|19.823090|3.717219|4.408900|6.420937|7.375689|4.983658|5.257750|95.063533|13.521784|73.516695| |1.586560|1.683263|0.044341|1.670040|1.712383|2.657929|2.007767|1.978760|1.965077|1.975414|1.997841|2.014442|13.992829|2.133702|3.587426|2.550369|19.733059|3.669870|4.018076|5.338253|6.915694|5.331765|5.488334|81.132981|13.827263|13.828199|53.358707| |1.683504|1.780242|0.046893|1.735877|1.762997|2.740791|2.102825|2.054871|2.065966|2.122504|2.168068|2.157902|15.091553|2.170686|3.606386|2.589698|19.233442|3.476577|3.551440|4.311055|5.580120|5.120504|5.418308|50.268259|11.727010|8.920669|17.909573|36.858105| |1.549510|1.614027|0.042692|1.564574|1.572521|2.399394|1.836232|1.791857|1.812080|1.877358|1.922857|1.900935|13.481527|1.876295|3.150003|2.171340|16.013560|2.745352|2.821437|3.302197|3.913280|3.635120|4.127355|34.625502|8.394654|7.130886|10.757103|12.528304|36.858105| |1.496503|1.542921|0.040592|1.507403|1.503996|2.271930|1.709503|1.654282|1.650891|1.699374|1.754578|1.760720|12.702129|1.790895|3.053585|2.045881|15.476975|2.610100|2.762124|3.213182|3.563364|3.202979|3.763306|30.155052|6.756077|6.750505|9.177324|7.661669|12.653803|53.358707| |1.591708|1.633405|0.042689|1.593342|1.577657|2.383496|1.784600|1.707679|1.692991|1.748896|1.826663|1.847540|13.520060|1.887544|3.226013|2.155207|16.377567|2.743763|2.886412|3.289563|3.583472|3.271820|3.923442|28.305330|6.268296|6.270901|8.230713|7.126195|9.315409|25.680771|0.500000| |1.432560|1.484991|0.039063|1.471210|1.480531|2.237932|1.666658|1.622939|1.605887|1.627679|1.667303|1.688257|12.079249|1.782726|3.064465|2.042774|15.888991|2.720298|3.006108|3.634269|3.902904|3.288906|3.826384|34.607271|7.142517|8.386618|10.758122|6.589452|7.660481|17.223906|0.258751|36.858105| |1.539334|1.614637|0.042293|1.613421|1.638727|2.511760|1.862913|1.815166|1.779895|1.785712|1.825718|1.865966|13.231470|2.032211|3.482364|2.383486|19.023896|3.427300|3.932771|5.118555|5.550846|4.282140|4.797704|50.210881|8.921680|11.752127|17.910964|7.835182|6.588880|10.427922|0.197943|12.527279|36.858105| |1.379480|1.408865|0.037244|1.371232|1.360951|2.030151|1.527872|1.480964|1.485094|1.534885|1.583438|1.580148|11.454811|1.583293|2.712759|1.774755|13.274437|2.169539|2.275884|2.576139|2.792874|2.570738|3.102237|23.144923|5.409109|5.401773|6.151916|4.981887|7.670074|17.373016|0.260299|7.670339|4.981772|36.858105| |17.560339|8.841416|0.211788|6.972270|4.587358|5.108960|3.482212|2.842791|2.572251|2.704668|3.245771|3.846995|36.691225|3.299512|5.806242|2.769372|16.951574|2.060310|1.828609|1.660893|1.663541|1.834170|2.800811|10.467154|2.590777|2.417070|1.993921|1.542263|1.427246|1.884889|0.040758|1.332953|1.427536|1.283484|0.500000| |17.585124|8.766890|0.214528|5.487261|4.013301|4.942849|3.630520|2.940075|2.751177|3.040044|3.835690|4.405194|47.044049|3.191119|5.371230|2.820385|16.949227|2.123652|1.870776|1.719005|1.750979|1.951302|2.956611|11.077059|2.763881|2.527121|2.131053|1.676637|1.554416|2.034834|0.044137|1.419215|1.513614|1.385286|0.301207|0.500000| |17.549827|8.771294|0.173365|6.811729|4.475723|5.456577|3.681761|2.915445|2.622915|2.786099|3.435107|4.190575|46.543908|3.712376|6.516982|3.176428|19.542846|2.363338|2.079566|1.875622|1.876142|2.077856|3.202888|11.671652|2.863914|2.673202|2.246976|1.750958|1.611238|2.134809|0.046664|1.501103|1.614903|1.442240|0.301704|0.300908|0.500000| |7.096936|8.951432|0.212697|17.506907|8.981442|7.609446|4.485926|3.560644|2.986743|2.939350|3.406745|4.340987|35.984221|4.654234|8.496011|3.473002|20.666439|2.371475|2.071366|1.836223|1.814422|2.012680|3.157621|11.175352|2.753115|2.592578|2.080151|1.581553|1.439116|1.896962|0.040811|1.363408|1.484689|1.277457|0.216813|0.144042|0.172894|0.500000| |6.894952|8.842097|0.173583|17.572287|8.889566|9.409111|5.056904|3.776331|3.100108|3.060234|3.635163|4.894777|44.837563|6.431878|12.135630|4.522152|26.594723|2.910793|2.488178|2.158218|2.115694|2.366651|3.812182|12.738733|3.100949|2.931762|2.378735|1.810899|1.627791|2.151342|0.046697|1.546416|1.703057|1.431861|0.172282|0.140356|0.203709|0.303218|0.500000| |4.515546|6.719788|0.202050|8.808320|17.591341|12.572669|7.499742|5.945146|4.471220|4.051743|4.470965|5.918050|36.298728|5.834641|9.169409|4.226932|22.741735|2.625990|2.230486|1.977781|1.986353|2.257942|3.589925|12.136893|3.040598|2.794787|2.203370|1.670527|1.498452|1.940973|0.041329|1.400748|1.540854|1.297474|0.121511|0.107739|0.110623|0.213195|0.173669|0.500000| |4.090266|5.443583|0.140403|8.899294|17.654259|12.537245|5.769543|4.698209|3.558739|3.207749|3.497810|4.552530|31.093427|7.441376|13.981538|4.700622|26.751198|2.879505|2.457026|2.122335|2.074355|2.323475|3.757911|12.471095|3.064353|2.900803|2.257709|1.687651|1.507749|1.976894|0.042252|1.442386|1.599330|1.315627|0.111689|0.094825|0.108503|0.220418|0.214895|0.302549|0.500000| |2.812832|3.629245|0.103560|3.896670|5.376970|9.862743|8.960018|17.719853|8.894572|5.647568|4.963537|5.643429|27.621490|5.807148|7.988936|5.531567|27.145584|3.348980|2.730900|2.437363|2.522326|2.994149|4.843613|15.116845|3.884389|3.430346|2.620127|1.966095|1.714883|2.168844|0.045529|1.580872|1.774869|1.427195|0.072811|0.072941|0.073908|0.094327|0.098916|0.158443|0.135489|0.500000| |2.443320|2.999901|0.088676|2.916891|3.490902|5.681401|5.639783|8.924219|17.726770|8.906293|5.645101|4.933683|24.013350|3.571883|5.252971|3.743241|20.177885|2.764964|2.328639|2.191084|2.368000|2.824188|4.244836|14.879869|3.990407|3.331491|2.591569|1.984729|1.747678|2.162449|0.044909|1.553857|1.718292|1.434322|0.062970|0.066492|0.063594|0.072684|0.074403|0.105353|0.086965|0.214503|0.500000| |2.687820|3.224951|0.096704|2.865975|3.134269|4.915855|4.947797|5.650958|8.912236|17.722831|8.928284|5.633156|27.782667|3.098852|4.625403|3.254254|17.893511|2.505005|2.130385|2.041076|2.244033|2.677021|3.914060|14.444241|3.908655|3.182376|2.614916|2.076955|1.856341|2.270767|0.047405|1.589738|1.727858|1.517304|0.067586|0.076476|0.069148|0.071102|0.073123|0.093113|0.075718|0.124038|0.214346|0.500000| |3.813957|4.646289|0.137302|3.664539|3.675501|5.670706|5.650178|4.964885|5.649217|8.914548|17.738933|8.941261|47.503350|3.507783|5.219789|3.557742|19.255962|2.611099|2.201168|2.074454|2.245795|2.668880|4.002979|14.222806|3.732169|3.123724|2.663807|2.152949|1.935242|2.400113|0.051112|1.656141|1.792769|1.602691|0.090288|0.112959|0.096369|0.087853|0.093108|0.105344|0.084915|0.107738|0.124110|0.215265|0.500000| |3.303991|4.062505|0.100353|4.210404|4.643730|9.390125|6.807404|5.425836|4.427882|4.229825|4.770169|6.106814|38.891309|8.875538|11.088669|17.640694|56.220328|6.533375|4.444973|3.686938|3.809039|4.900599|9.660813|20.635486|5.036892|4.466464|3.689329|2.830640|2.356102|2.992082|0.064843|2.156833|2.509072|1.896477|0.080059|0.084926|0.094891|0.094727|0.124936|0.110824|0.115712|0.136135|0.103605|0.097842|0.113939|0.500000| |2.782058|3.434709|0.089356|3.728050|4.568676|9.433776|6.825168|6.682349|5.044761|4.242832|4.262300|5.119111|29.088867|8.796303|10.913262|17.659084|56.329916|6.499656|4.470921|3.686845|3.769359|4.799278|9.363129|20.414487|5.053304|4.511633|3.466025|2.569804|2.146196|2.717909|0.057707|2.001757|2.336624|1.735039|0.070040|0.071585|0.077641|0.087158|0.105724|0.113391|0.119665|0.190410|0.122715|0.098069|0.098621|0.303820|0.500000| |1.929346|2.106678|0.054027|2.268398|2.408747|3.817341|2.604185|2.502143|2.257262|2.125280|2.180412|2.401050|16.731936|3.454174|6.239838|4.244129|48.077242|8.831503|17.751179|8.945678|5.661030|5.033172|7.741487|27.782546|5.728967|6.812574|4.670732|3.044806|2.514672|3.430024|0.073322|2.762565|3.505902|2.116978|0.049995|0.050369|0.056629|0.057137|0.068568|0.060400|0.068036|0.071253|0.059664|0.054314|0.056464|0.109513|0.111091|0.500000| |1.646082|1.772988|0.046246|1.842168|1.933967|3.024154|2.172489|2.141590|2.024019|1.942173|1.959297|2.067327|14.266987|2.562075|4.455589|3.109549|28.047469|5.649209|8.955557|17.741777|8.837735|5.650716|6.742340|46.613242|8.073420|12.950663|7.127734|4.017249|3.209997|4.395774|0.090643|3.833893|5.455861|2.609571|0.042665|0.043926|0.047853|0.046854|0.054421|0.049855|0.053586|0.060069|0.054490|0.050946|0.051647|0.085331|0.085688|0.214028|0.500000| |1.986689|2.216998|0.058678|2.194846|2.342532|3.879678|3.076992|3.120400|3.123256|3.072932|3.017732|3.018193|19.337715|3.118385|4.898363|4.134786|28.721779|5.903972|5.031589|5.643449|8.900363|17.737148|12.721707|47.011285|13.137365|8.142075|7.096475|5.415161|3.818553|4.366879|0.089737|3.192095|3.984031|2.597743|0.050159|0.054066|0.056422|0.054258|0.062827|0.061549|0.061717|0.082951|0.083176|0.081032|0.078684|0.125844|0.122951|0.108948|0.123759|0.500000| |1.841747|1.944940|0.050749|1.890179|1.903989|2.976864|2.275148|2.184088|2.174219|2.248464|2.339660|2.355360|16.747885|2.376228|3.938768|2.859372|21.266011|3.852575|3.844839|4.495618|5.657788|5.483231|6.019147|42.190706|9.530436|7.770740|12.282869|17.470006|8.825565|9.275182|0.206226|5.725953|6.976778|4.574238|0.046513|0.050882|0.053628|0.047508|0.055200|0.049709|0.050401|0.057614|0.057230|0.060470|0.064676|0.088618|0.077279|0.090901|0.112700|0.155680|0.500000| |1.693211|1.806369|0.047938|1.751255|1.793116|2.805032|2.189363|2.167405|2.213823|2.283425|2.300962|2.251506|15.418075|2.196129|3.601887|2.635025|18.979277|3.423371|3.380376|4.032086|5.446846|5.396611|5.564480|49.439419|14.195166|8.448914|12.489717|17.658663|8.992370|7.616536|0.144540|4.953264|5.682589|4.147457|0.043036|0.047005|0.048487|0.044237|0.050284|0.047528|0.047432|0.057336|0.059402|0.062625|0.063415|0.080276|0.073958|0.079978|0.102290|0.174528|0.300809|0.500000| |1.591602|1.648395|0.043650|1.579886|1.575860|2.395400|1.846150|1.791743|1.824291|1.916582|1.977812|1.938843|13.861353|1.854544|3.102105|2.127815|15.377040|2.576760|2.584190|2.925458|3.425018|3.335520|3.897745|28.339424|7.145170|5.897619|7.711258|8.793774|17.622024|12.351463|0.225575|5.601574|4.942005|7.130289|0.040589|0.044688|0.045938|0.040359|0.045536|0.041818|0.041721|0.047237|0.048658|0.052928|0.055964|0.064804|0.058199|0.064384|0.077960|0.098880|0.214518|0.210838|0.500000| |1.440781|1.503549|0.040032|1.461134|1.477129|2.244963|1.722023|1.699562|1.729529|1.783141|1.804089|1.771937|12.428108|1.745842|2.933957|2.008119|14.760598|2.514592|2.598937|3.058336|3.616385|3.329738|3.771059|33.846024|8.595456|7.223164|9.661889|8.846924|17.636073|12.397712|0.181842|6.976091|5.799900|7.103517|0.037060|0.040164|0.041375|0.037504|0.041996|0.039323|0.039454|0.045412|0.046780|0.049323|0.050324|0.059838|0.055750|0.064783|0.083884|0.098197|0.173236|0.217551|0.299440|0.500000| |1.395112|1.435792|0.037682|1.427696|1.428828|2.142007|1.581030|1.531791|1.506837|1.525294|1.569923|1.599950|11.564378|1.709407|2.968055|1.934610|15.192174|2.542047|2.832913|3.333970|3.413193|2.910031|3.492888|28.321924|5.904240|7.144479|7.711576|4.942051|5.601444|12.351320|0.225539|17.621840|8.793138|7.130842|0.036185|0.038326|0.040771|0.036909|0.041844|0.037477|0.038826|0.041554|0.040441|0.041280|0.043358|0.056431|0.052271|0.074086|0.099347|0.077453|0.128862|0.108874|0.126565|0.142976|0.500000| |1.343876|1.395995|0.036948|1.383035|1.398913|2.109020|1.577755|1.551263|1.544988|1.562088|1.585064|1.593405|11.287545|1.668531|2.863381|1.903545|14.661643|2.495066|2.743875|3.321621|3.608284|3.053641|3.533882|33.831886|7.247831|8.567881|9.663880|5.800936|6.976451|12.397763|0.181836|17.636075|8.846947|7.103169|0.034861|0.037042|0.038884|0.035724|0.040138|0.036975|0.037901|0.042104|0.041837|0.042636|0.043707|0.055456|0.052378|0.070268|0.098127|0.083725|0.132923|0.130691|0.142977|0.209214|0.299449|0.500000| |1.463808|1.538618|0.040394|1.552010|1.586482|2.422904|1.783817|1.750107|1.708258|1.695342|1.721119|1.765759|12.443634|1.967621|3.398640|2.294871|18.640496|3.344454|3.997690|5.356488|5.401169|4.007355|4.551090|49.351668|8.457736|14.240177|12.491668|5.682836|4.952905|7.616035|0.144534|8.990819|17.659485|4.147206|0.037928|0.039811|0.042569|0.039842|0.045479|0.041470|0.043336|0.048006|0.046090|0.045514|0.046658|0.065889|0.062884|0.101128|0.174322|0.101718|0.142587|0.127713|0.108872|0.130668|0.210809|0.217520|0.500000| |1.648095|1.723871|0.044773|1.726834|1.741900|2.674785|1.965158|1.888620|1.832388|1.841285|1.906208|1.972262|14.190430|2.188218|3.769445|2.574487|20.964092|3.781145|4.378235|5.510806|5.623510|4.442773|5.159796|42.142309|7.755743|9.568721|12.281489|6.977462|5.727118|9.278821|0.206330|8.827963|17.468080|4.575537|0.042303|0.044847|0.048427|0.043975|0.051100|0.045125|0.047221|0.051162|0.048684|0.049076|0.051978|0.075781|0.068829|0.108690|0.158526|0.111118|0.205340|0.142583|0.128897|0.132931|0.214554|0.173260|0.300703|0.500000| |1.300884|1.333503|0.035435|1.300179|1.298026|1.934567|1.460351|1.427811|1.438638|1.481770|1.514674|1.503535|10.785296|1.503201|2.572491|1.683071|12.544461|2.052060|2.157011|2.458937|2.681797|2.457277|2.944069|22.935065|5.464408|5.451806|5.927450|4.620118|6.980637|12.330822|0.181444|6.980989|4.619986|17.651451|0.033734|0.036290|0.037577|0.033728|0.037536|0.034523|0.034912|0.038347|0.038850|0.040882|0.042489|0.049634|0.046106|0.055762|0.069692|0.069546|0.112635|0.111316|0.173885|0.213557|0.173909|0.213550|0.111308|0.112659|0.500000| |1.345097|1.366294|0.036033|1.336051|1.321234|1.959230|1.461916|1.411877|1.406562|1.448316|1.499017|1.507086|11.008184|1.532960|2.648428|1.704821|12.886846|2.081392|2.205785|2.473192|2.606315|2.383760|2.923092|21.051824|4.825343|5.052868|5.402470|4.150127|5.587297|12.304016|0.224193|7.087038|4.651923|17.647114|0.034881|0.037423|0.039212|0.034695|0.038896|0.034911|0.035625|0.037925|0.037701|0.039620|0.042081|0.050316|0.046049|0.057795|0.070474|0.065860|0.110020|0.096819|0.145311|0.144196|0.218515|0.176447|0.111446|0.122819|0.299098|0.500000| 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