Version2.1 2020-12-16T21:28:42Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 15-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CSCC[C@@H](C(=O)N1CCC2(CC1)c3c([nH]cn3)CC[NH2+]2)NC(=O)c4ccc5c(c4)OCO5 C08791949 RHF 6-31G(d) (6D,7F) CSCC[C@@H](C(=O)N1CCC2(CC1)c3c([nH]cn3)CC[NH2+]2)NC(=O)c4ccc5c(c4)OCO5 C01[X(C23H30N5O4S1)] 183 C1 559 CSCC[C@@H](C(=O)N1CCC2(CC1)[NH2+]CCc1c2nc[nH]1)NC(=O)c1ccc2c(c1)OCO2 CSCC[C@@H](C(=O)N1CCC2(CC1)[NH2+]CCc1c2nc[nH]1)NC(=O)c1ccc2c(c1)OCO2 CSCC[C@H](NC(=O)c1ccc2OCOc2c1)C(=O)N3CCC4(CC3)[NH2+]CCc5[nH]cnc45 InChIKey=JOQLYPKTYMZWDF-KRWDZBQOSA-O InChI=1S/C23H29N5O4S/c1-33-11-5-17(27-21(29)15-2-3-18-19(12-15)32-14-31-18)22(30)28-9-6-23(7-10-28)20-16(4-8-26-23)24-13-25-20/h2-3,12-13,17,26H,4-11,14H2,1H3,(H,24,25)(H,27,29)/p+1/t17-/m0/s1 InChI=1/C23H29N5O4S/c1-33-11-5-17(27-21(29)15-2-3-18-19(12-15)32-14-31-18)22(30)28-9-6-23(7-10-28)20-16(4-8-26-23)24-13-25-20/h2-3,12-13,17,26H,4-11,14H2,1H3,(H,24,25)(H,27,29)/p+1/t17-/m0/s1/fC23H30N5O4S/h24,26-27H/q+1 CSCC[C@@H](C(=O)N1CCC2(CC1)c3c([nH]cn3)CC[NH2+]2)NC(=O)c4ccc5c(c4)OCO5 C01[X(C23H30N5O4S1)] 183 C01 559 CSCC[C@@H](C(=O)N1CCC2(CC1)[NH2+]CCc1c2nc[nH]1)NC(=O)c1ccc2c(c1)OCO2 CSCC[C@@H](C(=O)N1CC[C@]2(CC1)[NH2]CCC1=[C]2[N]=[CH][NH]1)NC(=O)[C]1[CH][CH][C]2[C]([CH]1)OCO2 CSCC[C@H](NC(=O)[C]1[CH][CH][C]2OCO[C]2[CH]1)C(=O)N3CCC4(CC3)[NH2]CCc5[nH]cnc45 InChIKey=VTYAIZNEMDVWDM-KRWDZBQOSA-N InChI=1S/C23H30N5O4S/c1-33-11-5-17(27-21(29)15-2-3-18-19(12-15)32-14-31-18)22(30)28-9-6-23(7-10-28)20-16(4-8-26-23)24-13-25-20/h2-3,12-13,17H,4-11,14,26H2,1H3,(H,24,25)(H,27,29)/t17-/m0/s1 InChI=1/C23H30N5O4S/c1-33-11-5-17(27-21(29)15-2-3-18-19(12-15)32-14-31-18)22(30)28-9-6-23(7-10-28)20-16(4-8-26-23)24-13-25-20/h2-3,12-13,17H,4-11,14,26H2,1H3,(H,24,25)(H,27,29)/t17-/m0/s1/f/h24,27H 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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| 11.2269 17.7503 23.2360 27.7719 32.3996 39.2048 46.0756 48.9466 66.1461 77.6898 92.9245 103.1437 108.8750 115.6844 144.2300 151.0807 166.2511 186.5207 189.0731 193.8667 213.3127 248.5725 249.7751 256.7344 263.6499 306.3913 307.9588 321.5681 355.0365 362.3962 374.7790 391.4367 399.4693 410.7522 431.4810 446.8309 469.5256 480.4924 504.3950 519.7127 526.8210 541.2664 563.3575 582.9080 588.6368 596.1028 634.4775 660.5535 678.5478 706.8605 727.1146 738.6471 744.9737 784.8287 785.0052 805.4013 807.2853 820.3126 838.8365 856.9755 859.7968 875.9688 887.0672 897.2437 911.4697 925.4947 937.3115 942.3115 953.9425 990.6559 1008.3299 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0.13934 0.05494 0.04112 16.15 25.54 33.43 39.96 46.62 56.41 66.29 70.42 95.17 111.78 133.70 148.40 156.65 166.44 207.51 217.37 239.20 268.36 272.03 278.93 306.91 357.64 359.37 369.38 379.33 440.83 443.08 462.66 510.82 521.41 539.22 563.19 574.75 590.98 620.80 642.89 675.54 691.32 725.71 747.75 757.98 778.76 810.55 838.67 846.92 857.66 912.87 950.39 976.28 1017.01 1046.16 1062.75 1071.85 1129.19 1129.45 1158.79 1161.50 1180.25 1206.90 1233.00 1237.06 1260.32 1276.29 1290.93 1311.40 1331.58 1348.58 1355.78 1372.51 1425.33 1450.76 1452.61 1461.70 1464.32 1480.90 1488.96 1518.35 1526.47 1535.19 1550.81 1558.51 1597.79 1615.84 1622.30 1623.14 1642.20 1648.25 1671.94 1679.65 1690.69 1697.80 1749.89 1758.63 1762.36 1782.51 1805.63 1813.83 1841.00 1859.56 1871.23 1877.80 1904.64 1911.50 1918.72 1923.55 1947.54 1984.91 1990.50 1999.73 2018.39 2035.63 2042.25 2046.48 2058.30 2081.21 2098.26 2109.52 2129.23 2153.04 2160.25 2169.43 2183.94 2187.23 2214.05 2232.74 2235.56 2249.19 2257.14 2274.39 2282.83 2289.59 2310.29 2321.43 2326.73 2332.95 2343.22 2353.98 2357.15 2362.58 2369.28 2374.53 2379.38 2396.02 2401.12 2444.07 2446.53 2467.45 2597.68 2611.66 2616.56 2621.28 2744.38 2814.98 4492.33 4579.26 4621.10 4629.48 4638.26 4641.63 4643.43 4663.05 4695.92 4698.38 4708.87 4729.40 4732.92 4738.21 4752.11 4757.77 4778.89 4803.55 4808.36 4829.62 4832.70 4875.23 4878.92 4910.74 4938.37 4984.72 5286.59 5382.01 5555.29 5597.67 0.569835 0.598732 0.599676 0.504560 -1856.897442 -1856.868545 -1856.867601 -1856.962717 3.190206D-04 MUNgauss RevisionA2.0 retrievium 16-Dec-2020 DUDE CSCC[C@@H](C(=O)N1CCC2(CC1)c3c([nH]cn3)CC[NH2+]2)NC(=O)c4ccc5c(c4)OCO5 C08791949 RHF 6-31G(d) (6D,10F) C1 472.201852 |X|Y|Z| 130.294074 81.676183 26.627066 65.682217 27 6 7 8 20 5 2 |36.858105| |10.531126|388.023441| |6.851721|74.590273|36.858105| |4.569302|49.484156|12.461486|36.858105| |3.573773|32.632705|7.464457|12.410748|36.858105| |3.550742|30.755035|6.997960|8.902924|17.710955|0.500000| |2.877061|26.003369|4.919023|7.661898|12.418408|0.242596|36.858105| |2.690967|24.313760|4.309747|6.407337|8.099607|0.163568|15.915137|73.516695| |2.563878|22.475386|4.010189|5.538319|7.525452|0.198765|13.791398|15.080342|53.358707| |2.190513|18.875912|3.152779|4.122362|4.977722|0.129198|7.973867|12.893981|17.836430|36.858105| |2.019621|17.119124|2.749000|3.410503|3.844062|0.105477|5.177855|8.355095|10.534492|12.474526|36.858105| |1.960563|16.169419|2.622959|3.118597|3.582080|0.104454|4.413819|6.784889|8.826515|7.434396|12.428228|36.858105| |2.240047|18.497842|3.113640|3.690697|4.378262|0.136761|5.096103|7.205172|10.563528|6.572080|7.638733|12.434357|36.858105| |2.466232|20.658688|3.710865|4.612285|6.269028|0.201647|7.654741|9.582155|17.821754|7.815354|6.564019|7.444459|12.465262|36.858105| |1.799540|14.614139|2.289635|2.631157|2.879819|0.084062|3.351783|5.332435|6.011133|4.887711|7.523819|12.713353|7.559100|4.898339|36.858105| |1.599110|12.764443|1.979018|2.231256|2.433776|0.070620|2.783526|4.545282|4.741518|3.896149|5.394998|7.509008|5.203078|3.827712|14.125059|36.858105| |1.536080|12.172441|1.848946|2.051388|2.180278|0.063243|2.433185|4.002418|4.011136|3.197908|4.231291|5.266173|4.189652|3.181284|8.842975|13.921162|53.358707| |1.425537|11.191308|1.687179|1.852754|1.959451|0.056654|2.164161|3.597225|3.487780|2.769759|3.513931|4.182186|3.462994|2.746404|6.096062|8.967341|26.041378|0.500000| |1.666571|13.318586|2.005409|2.227207|2.324770|0.067664|2.575616|4.193613|4.261053|3.310634|4.428499|5.371093|4.530896|3.349873|9.046634|8.723869|19.181658|0.252274|36.858105| |1.855493|15.094369|2.309090|2.618709|2.756443|0.080615|3.109654|4.955321|5.365924|4.135824|5.897072|7.568585|6.249489|4.244141|13.948290|8.508484|11.819535|0.168346|14.769906|53.358707| |1.489770|11.790140|1.841274|2.069141|2.294980|0.066154|2.632421|4.366019|4.391674|3.678077|4.701344|6.104031|4.404189|3.540939|7.497168|12.758633|10.063488|0.181075|5.225938|7.036477|36.858105| |1.569549|12.549243|1.993918|2.285841|2.602789|0.074167|3.094629|5.157017|5.276174|4.686744|5.858252|7.328761|4.928687|4.190938|6.784976|7.819252|6.897979|0.123033|4.203245|6.245055|12.474615|36.858105| |1.776255|14.334119|2.338300|2.722686|3.206807|0.093224|3.883076|6.164645|7.138980|6.128251|7.579541|12.340557|7.672072|6.204117|7.911320|6.994420|6.384031|0.109646|4.275466|6.975238|7.643463|12.647368|53.358707| |1.820207|14.750461|2.444016|2.884719|3.505032|0.100375|4.383393|6.995088|8.050550|7.135029|7.335091|9.080881|6.889133|6.771821|5.806013|5.150008|5.145450|0.091113|3.545278|5.724186|5.676901|9.223716|25.713449|0.500000| |1.764338|14.031533|2.300792|2.621321|3.099275|0.092541|3.581810|5.601577|6.367370|4.939484|5.690299|9.131762|7.580418|6.026857|6.982518|6.501506|6.195242|0.108050|4.128965|6.557706|7.162654|9.237660|25.680914|0.329315|0.500000| |3.390293|28.827627|6.281430|7.752003|13.167620|0.259180|7.826388|12.080542|7.221649|4.038358|3.161366|2.981590|3.478880|4.742944|2.450219|2.138247|2.614802|0.048614|2.010040|3.160098|2.069154|2.353497|3.840990|0.086886|0.076521|53.358707| |2.801096|22.543351|4.455190|5.108924|7.903591|0.200282|6.432972|10.149929|6.750793|3.941890|3.091013|2.996253|3.459230|4.781594|2.441814|2.163598|2.614083|0.048774|1.973728|3.077629|2.141249|2.470364|4.047788|0.093671|0.081671|19.014767|36.858105| |2.555635|20.476594|3.931660|4.557974|7.134184|0.205515|6.586077|9.660684|7.770597|4.441104|3.469934|3.479543|4.109327|6.050239|2.757543|2.432016|2.887337|0.053543|2.162764|3.398823|2.425554|2.843545|4.821221|0.114071|0.098604|11.602542|15.759106|73.516695| |2.540874|19.656330|3.633144|3.897297|5.056214|0.130252|4.437544|7.710941|4.949876|3.134009|2.548967|2.472447|2.749796|3.523033|2.077298|1.884583|2.300113|0.043436|1.720397|2.629544|1.891580|2.162400|3.415150|0.078312|0.069163|10.633600|12.790271|14.319092|36.858105| |2.704277|20.390766|3.685112|3.732813|4.397120|0.112295|3.733439|6.639563|4.170742|2.673992|2.229931|2.151314|2.379211|2.936182|1.848543|1.684200|2.085870|0.039599|1.569451|2.379881|1.677621|1.884385|2.924564|0.065711|0.059194|8.975628|7.566424|9.429438|13.759278|36.858105| |2.358437|17.331806|2.954962|2.953601|3.328487|0.086729|2.967635|5.367703|3.445847|2.283963|1.946417|1.884681|2.046165|2.446175|1.645865|1.520405|1.894256|0.036234|1.416215|2.121817|1.526617|1.703047|2.591391|0.057845|0.052565|6.062039|5.006002|7.093706|7.845922|13.625624|36.858105| |2.042597|15.071971|2.534044|2.586983|2.962462|0.078304|2.754952|4.994729|3.286804|2.224883|1.905063|1.856319|1.989326|2.360507|1.622452|1.513850|1.877713|0.036037|1.390031|2.071525|1.539928|1.726680|2.604705|0.058477|0.052965|5.164677|4.508743|6.831403|6.962377|8.094464|13.941262|36.858105| |1.968524|14.759337|2.515460|2.637918|3.139025|0.083661|3.001817|5.400440|3.627709|2.467970|2.091631|2.050336|2.190506|2.633874|1.770071|1.654015|2.028990|0.038849|1.491262|2.229268|1.700108|1.932524|2.932695|0.066813|0.059741|5.425054|5.138190|8.147757|8.071856|6.974875|7.911509|13.745812|36.858105| |2.143843|16.399220|2.893806|3.114418|3.924921|0.104379|3.748395|6.610631|4.454804|2.955835|2.439128|2.392381|2.595134|3.243643|2.019430|1.863401|2.261227|0.042940|1.666508|2.522100|1.908908|2.200095|3.423032|0.079280|0.069649|7.057709|7.709047|12.055879|13.533853|7.852970|6.724717|7.930347|14.008761|36.858105| |1.727688|12.873452|2.139367|2.240991|2.613676|0.070438|2.565311|4.631547|3.196543|2.231353|1.928007|1.901650|1.997123|2.340968|1.661397|1.574147|1.934203|0.037273|1.408935|2.085540|1.637445|1.855550|2.762536|0.062654|0.056425|4.279274|3.875585|6.545267|5.194628|4.683541|5.396454|8.537904|14.065645|7.778579|73.516695| |1.654674|12.148923|1.980376|2.036312|2.304316|0.062050|2.233368|4.050668|2.780611|1.944262|1.703815|1.676969|1.758710|2.027094|1.486103|1.412595|1.754155|0.033955|1.281844|1.885634|1.460991|1.632602|2.406553|0.053810|0.049151|3.737329|3.217498|5.336206|4.211863|4.218621|5.349898|8.581146|8.574611|5.356381|24.026758|36.858105| |1.812794|13.228923|2.160616|2.192427|2.451369|0.065353|2.320836|4.224989|2.830337|1.951775|1.701089|1.662432|1.760031|2.041462|1.472346|1.387905|1.731045|0.033424|1.275795|1.884000|1.418985|1.579242|2.345036|0.052238|0.047750|4.076001|3.432990|5.448672|4.687084|5.218433|7.793271|14.160608|8.553579|5.414697|14.912997|13.483551|73.516695| |17.598326|55.953803|6.408805|4.316588|3.522801|0.101281|2.821718|4.593964|3.497367|2.177598|2.029266|2.004688|2.323794|2.537208|1.848200|1.640758|2.150379|0.040703|1.718703|2.604030|1.523249|1.595198|2.469153|0.051348|0.050484|4.482616|2.776003|4.587080|2.494483|2.612599|2.277838|1.993405|1.938758|2.120547|3.035536|1.629098|3.148712|0.500000| |17.599277|55.970287|6.409587|4.328240|3.517125|0.096004|2.808630|4.724609|3.358092|2.116557|1.929379|1.872271|2.127259|2.373925|1.708609|1.528453|1.988050|0.037756|1.569380|2.369924|1.438454|1.523997|2.342037|0.049336|0.047533|4.784726|2.913381|4.630132|2.707456|2.968495|2.597364|2.208677|2.093709|2.260425|3.243699|1.760534|3.473690|0.298945|0.500000| |17.611033|57.248135|5.099178|3.803257|3.033650|0.083249|2.543540|4.295021|3.131563|2.007107|1.873781|1.813977|2.041575|2.206809|1.686079|1.507772|1.987203|0.037802|1.585762|2.382298|1.403304|1.468916|2.238382|0.046584|0.045282|3.921591|2.433094|3.986780|2.238663|2.379630|2.118867|1.855028|1.785111|1.922961|2.816840|1.527531|2.964453|0.300820|0.300868|0.500000| |6.546214|56.395575|17.597241|8.805152|6.754075|0.172332|4.495985|7.263449|4.913950|2.904589|2.508059|2.401591|2.805977|3.375139|2.096938|1.838902|2.332077|0.043708|1.834172|2.841910|1.736335|1.888813|2.990664|0.064385|0.060281|9.445064|4.844623|7.193391|4.107896|4.388122|3.437386|2.848467|2.765739|3.161066|4.111380|2.154894|4.258679|0.165003|0.196692|0.135207|0.500000| |6.485615|56.372424|17.561507|8.825046|6.851551|0.210824|4.584048|6.863708|5.414470|3.084059|2.751167|2.709798|3.318420|3.914228|2.377670|2.048559|2.610946|0.048534|2.089215|3.280856|1.895235|2.034356|3.277777|0.069251|0.066784|7.645367|4.294628|7.052487|3.466973|3.436200|2.785751|2.428713|2.438425|2.813927|3.714855|1.928072|3.701302|0.194679|0.163023|0.134459|0.302306|0.500000| |4.275721|47.018189|8.874543|17.544254|8.902917|0.211543|7.219145|10.522311|8.054046|4.402657|3.777506|3.415131|4.071673|4.848835|2.901567|2.412787|3.038020|0.055545|2.470266|4.018582|2.190048|2.395940|3.897127|0.082721|0.076020|7.684659|4.204326|7.112867|3.281245|3.104677|2.541215|2.278775|2.344309|2.738692|3.614729|1.850724|3.494665|0.114725|0.107601|0.102151|0.173517|0.211657|0.500000| |4.256630|46.345448|8.810026|17.566810|8.855670|0.174672|7.011530|12.364617|6.711900|3.958958|3.233514|2.869544|3.240103|3.956322|2.441646|2.097528|2.630381|0.048770|2.082632|3.294362|1.963089|2.178722|3.459610|0.075287|0.067198|9.643190|4.762549|7.327338|3.833924|3.769289|3.015348|2.623578|2.642737|3.074020|3.993318|2.055103|3.963128|0.106980|0.114876|0.101632|0.210648|0.173047|0.304059|0.500000| |2.206924|19.341860|3.152864|4.199255|4.773710|0.117648|7.664573|14.929342|12.536752|17.700845|8.908644|5.482890|4.946483|5.687304|4.088881|3.374579|3.913179|0.070256|2.999945|4.965750|3.189249|3.917894|6.342797|0.145267|0.108090|5.370719|3.720860|7.045532|3.034830|2.646760|2.272310|2.197501|2.403066|2.834774|3.859179|1.910698|3.437561|0.060061|0.059272|0.056523|0.080815|0.083313|0.124641|0.117763|0.500000| |2.028031|17.067526|2.859744|3.613647|4.484176|0.117305|6.729480|11.580342|12.352346|17.411852|8.736561|6.514389|5.639332|6.881251|4.417245|3.741828|4.116456|0.073903|3.017460|4.936996|3.764109|5.104730|8.966948|0.244480|0.145348|5.336439|4.065995|8.375079|3.296136|2.747472|2.365612|2.350114|2.665049|3.219849|4.320627|2.084141|3.667264|0.056029|0.055119|0.051674|0.075153|0.077853|0.102704|0.097585|0.305902|0.500000| |2.119574|18.243567|2.862220|3.562477|3.803292|0.104051|4.942171|7.977114|9.435750|8.881965|17.587611|9.059925|6.918113|5.763521|7.100476|4.970025|5.733924|0.096843|4.739420|8.965430|4.081540|4.612275|7.582401|0.146133|0.127529|4.161793|2.893497|5.620115|2.395232|2.137104|1.866080|1.805950|1.952780|2.255199|3.189434|1.603868|2.872791|0.059090|0.055565|0.054889|0.071195|0.079436|0.114226|0.093611|0.217947|0.172905|0.500000| |1.830273|15.330988|2.411236|2.929444|3.239920|0.087887|4.234260|7.273263|7.638928|8.840152|17.559664|8.762954|5.521877|4.899781|6.798040|5.510415|5.853532|0.100890|4.290109|7.206578|5.043180|6.471881|9.483366|0.186334|0.143027|3.779634|2.747970|5.408939|2.335973|2.059284|1.825336|1.803067|1.979168|2.274284|3.286887|1.639910|2.892009|0.050842|0.048818|0.047592|0.061961|0.066517|0.088537|0.079023|0.212956|0.213232|0.304494|0.500000| |2.390717|20.020380|3.301625|3.902234|4.344885|0.135355|4.874482|6.937471|9.467482|5.778914|6.902208|9.034066|17.604245|8.856480|7.106101|4.803808|5.664801|0.095263|4.857723|9.636689|3.871198|4.097714|7.624679|0.141138|0.151556|4.568669|3.203362|6.479200|2.567699|2.273931|1.957866|1.880924|2.036576|2.382828|3.292871|1.651810|2.966888|0.069183|0.062049|0.060690|0.080531|0.098553|0.125554|0.093916|0.130334|0.131328|0.205302|0.140785|0.500000| |2.131492|17.095747|2.860946|3.240061|3.811532|0.122121|4.150354|6.032570|7.644991|4.900153|5.527841|8.798707|17.520750|8.832832|6.869435|5.190755|5.767434|0.098472|4.463364|7.843682|4.478400|4.749442|9.693318|0.171032|0.232150|4.304613|3.221646|6.860760|2.614876|2.269722|1.971310|1.929461|2.128031|2.501520|3.478180|1.725988|3.053026|0.062150|0.056427|0.054063|0.072599|0.086285|0.097036|0.079110|0.108295|0.126042|0.141122|0.123224|0.303950|0.500000| |2.260511|18.460776|3.294660|3.956387|5.448348|0.170292|6.509400|8.845284|12.370226|6.907467|5.672356|6.561204|8.738763|17.486633|4.443458|3.688303|4.106628|0.073450|3.057553|5.059766|3.617096|4.454592|9.163119|0.226340|0.188808|6.278075|5.105313|12.617169|3.797136|3.056396|2.559956|2.522468|2.892458|3.633157|4.592337|2.193429|3.868586|0.064446|0.061399|0.056381|0.086321|0.095719|0.110328|0.097413|0.142023|0.200189|0.131727|0.126779|0.172764|0.212738|0.500000| |2.753951|22.887936|4.304158|5.169979|7.229333|0.278935|7.110586|8.784791|12.385876|5.661751|4.929709|5.504109|8.981899|17.732755|4.110193|3.309212|3.894602|0.069581|3.055408|5.147959|3.049398|3.450339|6.445905|0.138949|0.134393|7.151185|5.152392|11.426997|3.700604|3.116380|2.558822|2.429464|2.676783|3.299963|4.175203|2.048202|3.708588|0.079963|0.073408|0.067356|0.107400|0.132090|0.148390|0.116625|0.127525|0.141362|0.129515|0.108117|0.217943|0.215649|0.307272|0.500000| |1.625294|12.898198|1.908315|2.089933|2.141545|0.062196|2.330391|3.822512|3.751464|2.866716|3.661032|4.192799|3.762776|2.911263|6.048802|5.941832|12.203317|0.210904|17.801764|12.344134|4.120211|3.411044|4.699089|0.082329|0.093722|2.534778|1.816209|3.496130|1.596218|1.470983|1.333394|1.304887|1.389578|1.541488|2.336605|1.204125|2.137188|0.046623|0.042348|0.043272|0.048454|0.055250|0.064471|0.054457|0.073798|0.072705|0.110926|0.098947|0.114517|0.103707|0.073885|0.075595|0.500000| |1.449899|11.338211|1.776256|1.968043|2.191539|0.063897|2.457606|4.049389|4.034240|3.244299|3.921634|5.137655|4.104222|3.350738|6.005662|8.871395|8.584922|0.164773|4.612383|6.102477|17.524688|8.802681|8.966126|0.141800|0.198191|2.717621|2.086528|4.223130|1.855486|1.645659|1.503593|1.522841|1.684356|1.884761|2.898627|1.455354|2.502240|0.041391|0.038986|0.037907|0.046766|0.051164|0.057404|0.051605|0.078339|0.093047|0.096313|0.112086|0.099765|0.122633|0.096895|0.081983|0.104771|0.500000| |1.390112|10.971639|1.692672|1.894001|2.073465|0.059097|2.370523|4.008170|3.853258|3.258805|4.069506|4.765061|3.584732|3.003898|5.733461|8.859066|9.046736|0.180999|4.677727|5.994356|17.564813|8.951178|7.619546|0.127176|0.143640|2.571226|1.948051|3.865396|1.744815|1.560493|1.431841|1.447809|1.591064|1.767258|2.743261|1.385352|2.388426|0.039318|0.037341|0.036575|0.044512|0.048068|0.055540|0.050449|0.081104|0.092953|0.100649|0.126569|0.090412|0.099581|0.084983|0.072990|0.106949|0.303346|0.500000| |1.496828|11.852073|1.889145|2.144953|2.461153|0.070029|2.885374|4.860867|4.748771|4.104889|4.643630|5.466550|4.167752|3.784758|4.970271|5.632116|5.557786|0.103871|3.442713|4.998782|8.753132|17.628340|12.378205|0.229450|0.221221|3.104171|2.441284|5.014751|2.172558|1.883910|1.716823|1.761770|1.990660|2.255380|3.440066|1.693167|2.879305|0.042226|0.040654|0.038902|0.050282|0.053464|0.061473|0.057062|0.097292|0.129842|0.104479|0.139718|0.096790|0.114832|0.116567|0.088436|0.080436|0.218462|0.204737|0.500000| |1.565053|12.634150|1.989842|2.308111|2.597449|0.072500|3.159809|5.402390|5.345317|5.085994|6.558435|6.840633|4.514597|3.965567|6.269558|6.789466|6.443362|0.115607|4.054915|6.056339|8.794858|17.666766|12.393819|0.219764|0.181107|3.191334|2.430530|4.886180|2.134498|1.870421|1.691995|1.710806|1.905271|2.161213|3.247595|1.612811|2.783876|0.043859|0.042189|0.040814|0.052290|0.055726|0.067461|0.061932|0.121569|0.153792|0.140506|0.232699|0.108229|0.114871|0.114049|0.090531|0.092564|0.173492|0.220992|0.301277|0.500000| |3.435607|29.550715|6.055942|7.337519|9.132375|0.182723|6.625354|11.842970|6.189687|3.685403|2.910752|2.688682|3.035739|3.936087|2.248296|1.980028|2.440902|0.045629|1.875276|2.921133|1.920175|2.174690|3.467188|0.078017|0.068475|26.026199|9.437666|11.062933|7.340824|7.125074|4.792863|3.930449|3.961274|4.905855|5.542428|2.776954|5.506472|0.089846|0.100786|0.081762|0.196132|0.140293|0.146841|0.217686|0.104165|0.099517|0.078982|0.072376|0.082404|0.076665|0.106239|0.116865|0.048576|0.051280|0.049217|0.058658|0.060875|0.500000| |3.160132|23.767733|4.398335|4.267370|4.794494|0.120581|3.838771|6.766913|4.210197|2.653920|2.225155|2.137343|2.387847|2.934055|1.845536|1.669420|2.081398|0.039447|1.580847|2.404264|1.643155|1.830146|2.847791|0.063326|0.057551|9.974373|6.951811|8.676840|8.916804|17.743952|8.951214|5.732045|5.007291|5.604899|6.590318|3.446937|7.443719|0.083592|0.098525|0.075944|0.154885|0.110735|0.095585|0.120236|0.073546|0.074004|0.060099|0.056705|0.064432|0.062964|0.082509|0.087983|0.041337|0.044649|0.042444|0.050316|0.050580|0.236034|0.500000| |2.373733|17.098047|2.832651|2.762839|2.991250|0.078115|2.657840|4.823117|3.108481|2.071737|1.789286|1.730400|1.873210|2.201762|1.528288|1.415085|1.776955|0.034091|1.332501|1.987139|1.414783|1.563571|2.360944|0.052189|0.047880|5.249262|4.070567|5.924570|5.594149|8.800989|17.756734|8.929621|5.628521|4.877662|7.761236|4.647692|12.218711|0.063156|0.073666|0.059665|0.092247|0.073784|0.066386|0.079005|0.057670|0.058981|0.048091|0.046772|0.050300|0.050207|0.063151|0.064130|0.035044|0.038704|0.037013|0.043640|0.043249|0.117238|0.214078|0.500000| |2.028010|15.635967|2.745890|3.012793|3.870090|0.104850|3.873375|6.730414|4.778514|3.214172|2.641160|2.619208|2.820723|3.553464|2.183482|2.021422|2.423338|0.045924|1.770435|2.684158|2.097034|2.455549|3.849214|0.090854|0.078564|6.514367|7.149264|13.378170|8.812081|5.607035|4.879399|5.632348|8.931792|17.780755|12.159059|4.641214|7.768815|0.056141|0.058566|0.050738|0.081109|0.075152|0.075156|0.081647|0.083805|0.100147|0.066614|0.068483|0.070460|0.075815|0.115221|0.098116|0.045144|0.057659|0.053627|0.070748|0.066490|0.121456|0.123460|0.106325|0.500000| |1.590356|11.542088|1.872977|1.904050|2.144027|0.058555|2.063625|3.694522|2.601738|1.814427|1.609755|1.601631|1.685127|1.923748|1.429588|1.364707|1.700544|0.033009|1.240912|1.817706|1.412659|1.566032|2.303171|0.051130|0.047414|3.425191|2.929919|4.947814|3.708435|3.715322|4.575452|6.569229|6.562442|4.577105|16.552229|17.627040|16.562412|0.043782|0.046965|0.040859|0.056434|0.051168|0.048362|0.052891|0.049222|0.053799|0.042176|0.043020|0.044002|0.046356|0.057817|0.054286|0.032446|0.039332|0.037208|0.045200|0.042712|0.069841|0.086615|0.114358|0.114092|0.500000| 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