Version2.2 2021-02-10T04:30:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 24-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(ccc1NC(=O)C(=O)N[C@H](C)c2cccc(c2)OC(C)C)C(=O)NC C41769628 RHF 6-31G(d) (6D,7F) Cc1cc(ccc1NC(=O)C(=O)N[C@H](C)c2cccc(c2)OC(C)C)C(=O)NC C01[X(C22H27N3O4)] 162 C1 489 CNC(=O)c1ccc(c(c1)C)NC(=O)C(=O)N[C@@H](c1cccc(c1)OC(C)C)C CNC(=O)c1ccc(c(c1)C)NC(=O)C(=O)N[C@@H](c1cccc(c1)OC(C)C)C CNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(OC(C)C)c2)c(C)c1 InChIKey=UMOPDEFCHHWPTN-OAHLLOKOSA-N InChI=1S/C22H27N3O4/c1-13(2)29-18-8-6-7-16(12-18)15(4)24-21(27)22(28)25-19-10-9-17(11-14(19)3)20(26)23-5/h6-13,15H,1-5H3,(H,23,26)(H,24,27)(H,25,28)/t15-/m1/s1 InChI=1/C22H27N3O4/c1-13(2)29-18-8-6-7-16(12-18)15(4)24-21(27)22(28)25-19-10-9-17(11-14(19)3)20(26)23-5/h6-13,15H,1-5H3,(H,23,26)(H,24,27)(H,25,28)/t15-/m1/s1/f/h23-25H Cc1cc(ccc1NC(=O)C(=O)N[C@H](C)c2cccc(c2)OC(C)C)C(=O)NC C01[X(C22H27N3O4)] 162 C01 489 CNC(=O)c1ccc(c(c1)C)NC(=O)C(=O)N[C@@H](c1cccc(c1)OC(C)C)C CNC(=O)[C]1[CH][CH][C]([C]([CH]1)C)NC(=O)[C]([NH][C@@H]([C]1[CH][CH][CH][C]([CH]1)OC(C)C)C)=O CNC(=O)[C]1[CH][CH][C](NC(=O)C(=O)N[C@H](C)[C]2[CH][CH][CH][C]([CH]2)OC(C)C)[C](C)[CH]1 InChIKey=UMOPDEFCHHWPTN-OAHLLOKOSA-N InChI=1S/C22H27N3O4/c1-13(2)29-18-8-6-7-16(12-18)15(4)24-21(27)22(28)25-19-10-9-17(11-14(19)3)20(26)23-5/h6-13,15H,1-5H3,(H,23,26)(H,24,27)(H,25,28)/t15-/m1/s1 InChI=1/C22H27N3O4/c1-13(2)29-18-8-6-7-16(12-18)15(4)24-21(27)22(28)25-19-10-9-17(11-14(19)3)20(26)23-5/h6-13,15H,1-5H3,(H,23,26)(H,24,27)(H,25,28)/t15-/m1/s1/f/h23-25H 2541.0442336624 -1311.6938268 1-A 23962.1296 106 383 489 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.58827 -20.56115 -20.55146 -20.51782 -15.61707 -15.60040 -15.58037 -11.37721 -11.36897 -11.34336 -11.30590 -11.29641 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89.1058 58.5213 42.3292 73.2578 68.9814 65.3088 68.0005 54.4927 95.3278 71.8239 161.3363 61.8768 51.2536 49.2307 92.7686 23.5017 32.2975 0.7464 0.7497 0.7492 0.7425 0.7470 0.7435 0.6993 0.7500 0.7500 0.7447 0.5212 0.5881 0.6971 0.4320 0.7499 0.0416 0.7450 0.5248 0.7495 0.7270 0.6690 0.5547 0.7499 0.4419 0.7410 0.5359 0.4430 0.6750 0.2827 0.7332 0.3986 0.6953 0.6007 0.7186 0.2696 0.1367 0.3087 0.7498 0.5164 0.6057 0.6992 0.0926 0.2251 0.1132 0.6765 0.4810 0.7061 0.7498 0.4413 0.4581 0.2987 0.6932 0.6452 0.4752 0.3378 0.0867 0.5529 0.4304 0.6854 0.7484 0.4800 0.2356 0.4127 0.1129 0.7202 0.1586 0.7230 0.1671 0.6665 0.7390 0.6437 0.2143 0.0745 0.6959 0.7433 0.6401 0.7350 0.3903 0.1847 0.7170 0.7462 0.4405 0.2247 0.3411 0.7362 0.5565 0.6842 0.4972 0.5468 0.2715 0.2082 0.6786 0.1255 0.3268 0.5904 0.3081 0.3209 0.2855 0.1920 0.2527 0.1960 0.6848 0.1022 0.7184 0.5672 0.7373 0.6088 0.7478 0.5302 0.6619 0.6997 0.7469 0.6637 0.7226 0.6265 0.7214 0.7183 0.7222 0.7484 0.7202 0.7439 0.7213 0.7058 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0.7238 0.8488 0.7568 0.8557 0.6930 0.7966 0.8234 0.8551 0.7979 0.8390 0.7703 0.8382 0.8361 0.8387 0.8561 0.8373 0.8532 0.8381 0.8275 0.8075 0.6734 0.6584 0.5452 0.5415 0.6828 0.5315 0.8514 0.6817 0.2987 0.3631 0.4045 0.0522 0.7507 0.0559 0.0354 0.0903 0.4125 0.8571 0.6990 0.8524 0.8541 0.7532 0.7620 0.8527 0.7971 0.7734 0.7145 0.8234 0.8286 0.5038 0.4965 0.3163 0.4421 0.3198 0.3480 0.3070 0.2117 0.3110 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 56 6 6 6 6 6 6 6 7 6 8 6 8 7 6 1 6 6 6 6 6 6 6 8 6 6 6 6 8 7 6 1 1 1 1 1 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 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 5070.1040 40357.1128 40753.9654 0.99998 -0.00018 0.00555 0.00038 0.99938 -0.03512 -0.00554 0.03512 0.99937 1 0.01708 0.00215 0.00213 0.35596 0.04472 0.04428 11.93 16.89 32.65 47.89 53.76 66.48 80.01 93.33 104.23 124.76 147.00 166.19 179.03 189.65 195.16 256.60 270.63 293.48 306.89 328.21 333.01 350.85 362.56 388.60 398.32 411.46 421.01 451.97 459.31 480.45 515.81 544.98 562.25 607.38 674.27 677.05 705.78 715.73 732.24 749.44 768.26 799.80 820.01 855.81 871.44 911.51 920.64 938.18 964.86 1009.06 1022.89 1085.74 1128.38 1133.05 1149.56 1195.77 1238.78 1255.61 1286.88 1300.51 1304.04 1354.73 1378.92 1387.82 1412.51 1423.28 1452.34 1461.08 1471.30 1488.09 1509.73 1533.23 1556.82 1580.07 1586.47 1591.99 1595.18 1620.15 1641.47 1688.84 1717.79 1725.76 1755.64 1770.07 1801.11 1805.24 1807.35 1814.91 1834.63 1854.16 1867.09 1870.51 1897.28 1903.24 1909.95 1912.87 2013.24 2026.62 2051.30 2060.60 2086.06 2105.94 2156.81 2169.30 2181.05 2202.39 2249.38 2253.63 2254.03 2267.15 2267.40 2310.74 2322.33 2341.76 2348.45 2349.49 2350.71 2353.88 2359.27 2359.35 2367.96 2379.17 2382.50 2404.95 2405.83 2454.29 2470.62 2526.68 2577.81 2589.58 2597.76 2621.36 2785.98 2792.98 2838.70 4597.27 4620.29 4628.97 4629.85 4630.77 4648.99 4666.73 4705.29 4712.82 4727.15 4727.69 4732.01 4734.05 4739.79 4744.61 4747.92 4791.84 4831.43 4858.03 4859.53 4888.74 4896.60 4897.06 4979.06 5548.02 5563.55 5610.57 0.500048 0.527999 0.528943 0.436495 -1311.193779 -1311.165828 -1311.164884 -1311.257332 3.100721D-04 MUNgauss RevisionA2.1 retrievium 10-Feb-2021 DUDE Cc1cc(ccc1NC(=O)C(=O)N[C@H](C)c2cccc(c2)OC(C)C)C(=O)NC C41769628 RHF 6-31G(d) (6D,10F) C1 397.200157 |X|Y|Z| 38.458380 41.308932 144.140977 61.179718 17 6 7 15 2 |36.858105| |12.593288|36.858105| |7.593680|13.788724|36.858105| |5.007902|7.854230|13.704260|36.858105| |4.431682|6.837633|7.987849|13.757250|36.858105| |4.989085|7.865406|6.903540|7.908801|13.763447|36.858105| |7.481835|13.575810|7.968872|6.837867|7.940592|13.719662|36.858105| |6.695448|7.931815|5.203997|4.544322|5.145693|7.785195|13.542596|53.358707| |4.573865|5.156647|3.915576|3.686365|4.348909|6.349862|7.667590|19.316397|36.858105| |3.731718|4.379867|3.583138|3.588893|4.470600|6.511652|6.397700|11.338658|15.881286|73.516695| |4.012206|4.028486|3.156803|2.912538|3.244064|4.228660|5.059402|10.878212|12.354921|14.187056|36.858105| |4.420382|4.075382|3.149712|2.806167|3.000739|3.770679|4.724832|9.783121|7.964826|9.803597|15.802473|73.516695| |3.141485|3.203837|2.645346|2.518574|2.829407|3.561104|3.925141|7.303291|7.950267|12.640900|14.361401|14.984117|53.358707| |2.691558|2.655217|2.245588|2.129885|2.332211|2.807880|3.077007|5.370477|5.015796|8.187701|7.777040|11.901973|17.734456|36.858105| |2.789180|2.679633|2.253339|2.106710|2.270637|2.712228|3.037470|5.310824|4.701925|7.360911|7.371265|13.088902|12.649035|17.618451|0.500000| |2.541337|2.475408|2.114104|1.999128|2.163558|2.560547|2.804329|4.766173|4.204090|6.865803|5.968382|10.134374|10.495720|12.442537|0.248460|36.858105| |2.279610|2.291026|1.991050|1.926583|2.120661|2.501077|2.638418|4.369112|4.003022|7.089392|5.202124|7.975848|10.653594|12.533089|0.248587|7.493365|36.858105| |2.095531|2.149289|1.897572|1.868273|2.079415|2.432699|2.490143|4.008543|3.677186|6.902865|4.367353|6.566035|8.541699|7.528607|0.155708|6.081679|13.749080|36.858105| |1.845429|1.898858|1.706337|1.695498|1.879191|2.152571|2.169214|3.384686|2.999297|5.697750|3.381174|5.252327|6.004898|5.011348|0.116915|4.306494|7.945803|13.720042|36.858105| |1.754709|1.788301|1.613359|1.596131|1.750198|1.984932|2.014164|3.120754|2.700942|5.026099|3.052557|4.882882|5.200615|4.431124|0.111490|3.735752|6.854223|7.918602|13.827569|36.858105| |1.857520|1.866165|1.668519|1.630838|1.773065|2.019627|2.088418|3.279045|2.819119|5.089695|3.296033|5.382305|5.574935|5.015862|0.134298|3.999043|7.891164|6.843395|7.945107|13.681988|36.858105| |2.115252|2.104269|1.847523|1.784270|1.940030|2.247953|2.372751|3.841666|3.365228|5.904473|4.197945|6.838264|7.447715|7.580348|0.207268|5.302450|13.681526|7.929468|6.897833|7.932492|13.720255|36.858105| |1.714382|1.712210|1.545433|1.509559|1.624829|1.824583|1.886192|2.911970|2.434477|4.361931|2.784289|4.671414|4.459258|3.855647|0.108595|3.219198|5.178676|4.615944|5.310454|8.228692|14.146799|7.846272|73.516695| |1.743283|1.717310|1.547279|1.497251|1.594108|1.783501|1.867596|2.882663|2.362547|4.141211|2.720398|4.698433|4.200912|3.618555|0.108029|3.030347|4.424856|3.741509|3.953343|5.215030|7.851041|6.535789|23.899908|36.858105| |1.855375|1.834852|1.652310|1.599057|1.703188|1.906728|1.997056|3.070490|2.502222|4.383246|2.828336|4.867570|4.262886|3.477284|0.105419|2.826557|4.064467|3.433643|3.532861|4.391360|6.039101|5.611242|13.993698|12.498742|36.858105| |1.540028|1.514974|1.381516|1.340743|1.417154|1.563351|1.627510|2.468605|1.987870|3.495913|2.239458|3.907204|3.382024|2.846627|0.083742|2.508912|3.347434|2.994991|3.231382|4.135309|5.273445|4.409966|14.456830|12.532580|7.538883|36.858105| |3.828458|5.054980|7.699928|12.706187|7.489048|5.002762|4.447056|4.557909|2.861672|5.030508|2.369436|4.094705|2.864342|1.824704|0.050217|1.729422|1.676567|1.637136|1.506859|1.427459|1.452406|1.569088|2.412940|1.347881|1.435698|1.220635|36.858105| |3.711467|4.548348|6.766003|8.065542|5.296459|4.010011|3.819421|4.079019|2.559836|4.428756|2.180487|3.834703|2.638131|1.705163|0.047179|1.633433|1.562939|1.521209|1.402247|1.333136|1.360137|1.468794|2.269496|1.273363|1.350456|1.159289|15.840130|73.516695| |3.101547|3.945392|5.217637|7.841260|6.540224|4.447391|3.755669|4.014168|2.625786|4.753779|2.184469|3.723652|2.697036|1.725145|0.047238|1.627575|1.610883|1.588101|1.477078|1.401063|1.415669|1.513585|2.358779|1.311609|1.399619|1.192086|14.046028|15.124557|53.358707| |2.588387|3.102308|3.909577|5.036419|4.373055|3.324590|2.933582|3.287283|2.189232|3.957029|1.874415|3.221036|2.344462|1.525439|0.041872|1.448828|1.436678|1.420067|1.333109|1.271544|1.282634|1.360380|2.152923|1.199265|1.276150|1.099494|7.826814|12.369797|17.913638|36.858105| |17.526634|8.788334|5.888144|4.280840|3.953922|4.544357|6.612673|9.100148|4.702158|6.692330|4.295133|8.682468|4.520202|2.862431|0.084328|2.639607|2.414075|2.179109|1.917789|1.841698|1.976059|2.268288|3.254098|1.881374|2.024579|1.651189|3.368937|5.744503|3.855642|2.394958|0.500000| |17.525933|8.789175|5.896627|4.280247|3.955985|4.547986|6.608465|9.084963|4.677746|6.652739|4.278832|8.677148|4.499716|2.848912|0.081664|2.760977|2.363563|2.169618|1.890767|1.784556|1.886789|2.165380|3.074952|1.752586|1.840025|1.546919|3.370047|5.865692|3.789290|2.357618|0.301456|0.500000| |17.606275|8.887426|7.363022|4.790353|3.992138|4.172663|5.553518|6.632037|3.636612|5.510312|3.275725|6.375260|3.633824|2.347739|0.067664|2.242609|2.024791|1.873971|1.671329|1.599252|1.689096|1.900653|2.799295|1.607169|1.707873|1.435449|3.900658|7.058386|4.225646|2.641335|0.302681|0.302875|0.500000| |7.059295|8.949970|17.748125|8.986521|5.686977|4.970528|5.655119|5.727920|3.286667|5.346707|2.779760|5.037986|3.211419|2.049449|0.057576|1.948610|1.825066|1.735724|1.571213|1.495637|1.550750|1.709553|2.573617|1.457914|1.553556|1.311515|7.263035|13.560235|6.614343|3.876351|0.152966|0.153531|0.227826|0.500000| |3.545687|4.935029|5.654420|8.884543|17.725245|9.001391|5.666769|5.686571|3.788244|7.251480|2.902757|4.726267|3.560661|2.179538|0.058474|2.027667|2.020070|2.011294|1.839209|1.709677|1.713560|1.851722|2.797013|1.533203|1.634421|1.369976|6.835835|8.613569|9.745880|4.741807|0.090046|0.090251|0.090783|0.124545|0.500000| |4.072308|5.619693|4.976459|5.644775|8.936746|17.826353|8.926446|9.655206|6.995204|15.109637|4.471448|6.727534|5.324254|3.008726|0.078986|2.710221|2.717172|2.690181|2.371880|2.157737|2.169228|2.407484|3.445866|1.869771|1.994168|1.629863|4.077111|5.957787|5.250382|2.995134|0.107026|0.107199|0.095948|0.107969|0.217776|0.500000| |7.923174|7.492984|4.864106|4.036734|4.266384|5.733295|9.215142|26.012298|9.717123|10.941866|8.105178|15.882002|7.081886|4.024960|0.114727|3.628558|3.181898|2.848396|2.401342|2.238914|2.388502|2.830863|3.794712|2.142380|2.273405|1.835648|3.082135|5.050687|3.662717|2.247936|0.234366|0.235845|0.152066|0.114792|0.097996|0.144174|0.500000| |2.939090|3.105873|2.613480|2.550984|2.934661|3.711109|3.888078|6.904034|7.805599|15.092820|9.586693|10.892745|26.019302|8.885858|0.183548|6.115495|7.420436|6.923693|4.853681|4.033003|4.116898|5.186345|5.798616|2.989000|3.052031|2.423403|2.134687|3.460450|2.770673|1.764814|0.085077|0.084526|0.069964|0.064260|0.076596|0.118088|0.128792|0.500000| |2.813440|2.682337|2.260043|2.103570|2.252624|2.673729|3.004922|5.186880|4.415551|6.874734|6.414731|12.024047|9.548659|8.834580|0.216752|17.586881|5.486801|4.606605|3.486569|3.106855|3.336763|4.279888|4.971743|2.707024|2.580608|2.279239|1.809217|3.054341|2.290907|1.494039|0.080810|0.086988|0.068504|0.057996|0.057964|0.077219|0.113302|0.150883|0.500000| |2.280503|2.200671|1.906392|1.804167|1.931951|2.243242|2.440836|4.031983|3.430429|5.675630|4.594632|8.166454|7.616160|8.823725|0.213834|17.562267|6.862399|5.562701|4.209987|3.792383|4.134960|5.396139|5.998921|3.194653|2.874528|2.667866|1.581112|2.671694|2.033014|1.341696|0.066045|0.068375|0.056766|0.049343|0.050576|0.065413|0.085816|0.131032|0.300624|0.500000| |2.405245|2.393435|2.068008|1.982974|2.167706|2.558327|2.736731|4.554813|4.062461|6.939063|5.295965|8.493951|9.420661|8.766122|0.173958|17.573118|6.743183|6.555604|4.555283|3.732434|3.761984|4.678435|5.363107|2.766457|2.581052|2.330443|1.721133|2.881904|2.216913|1.450593|0.068202|0.072465|0.059220|0.052765|0.056994|0.076298|0.093610|0.170741|0.300641|0.301037|0.500000| |2.151173|2.227798|1.966294|1.945187|2.182419|2.567729|2.606722|4.193480|3.896706|7.466768|4.517438|6.651562|8.800774|6.938763|0.140061|6.332259|8.881980|17.710837|8.917977|5.645683|4.936265|5.630562|6.510629|3.096489|2.903128|2.563972|1.698622|2.801009|2.239572|1.466169|0.061296|0.062380|0.053278|0.049728|0.058781|0.079697|0.081817|0.208051|0.135004|0.151169|0.216226|0.500000| |1.734442|1.799356|1.633891|1.638525|1.821373|2.066159|2.051697|3.145430|2.757639|5.326710|3.003302|4.680037|5.151977|4.083822|0.096508|3.713886|5.650782|8.916122|17.714301|8.969804|5.653041|4.964641|7.631098|3.312973|3.011370|2.835877|1.466129|2.424641|1.968048|1.309842|0.049608|0.049330|0.043861|0.041827|0.050001|0.063522|0.061530|0.117473|0.085935|0.100466|0.112834|0.215635|0.500000| |1.606835|1.640849|1.496143|1.487768|1.625572|1.820272|1.832438|2.791528|2.373711|4.433477|2.617534|4.238414|4.301337|3.545703|0.091327|3.102135|4.944187|5.625243|8.884808|17.739960|8.957222|5.658657|13.553446|4.866217|4.100925|4.171429|1.342698|2.233353|1.804114|1.210764|0.046705|0.045205|0.040993|0.038696|0.044397|0.054774|0.055573|0.092709|0.073653|0.088025|0.086723|0.123928|0.214472|0.500000| |2.199969|2.150954|1.878056|1.792854|1.927674|2.228933|2.394067|3.896386|3.331634|5.658022|4.240081|7.248642|7.043219|7.111252|0.233798|5.031321|8.954302|5.659601|4.968988|5.636398|8.883087|17.767321|12.460373|7.207621|6.391564|4.664172|1.575600|2.632989|2.056777|1.359001|0.066457|0.062450|0.054948|0.048516|0.050693|0.065304|0.081392|0.129452|0.118638|0.144521|0.117646|0.124205|0.107791|0.124255|0.500000| |1.821233|1.772950|1.585470|1.521042|1.612385|1.811979|1.921236|2.999124|2.451741|4.222980|2.900621|5.107734|4.470602|4.016052|0.124275|3.382060|4.764677|3.832224|3.853133|4.813660|7.269683|7.173859|16.531029|17.566447|8.844037|8.941199|1.364351|2.299096|1.794547|1.203303|0.054766|0.051252|0.046536|0.041563|0.042806|0.052487|0.062687|0.085964|0.083810|0.101450|0.083538|0.088438|0.089025|0.119774|0.249642|0.500000| |1.848235|1.806778|1.629923|1.566401|1.650847|1.836020|1.939329|2.965109|2.367022|4.086925|2.668513|4.704011|3.901608|3.156975|0.097833|2.623590|3.497433|2.958556|2.979715|3.549645|4.628731|4.568804|10.092210|8.833376|17.551382|6.817144|1.411478|2.372080|1.866743|1.254529|0.056400|0.050758|0.047549|0.042856|0.043828|0.052727|0.061648|0.076508|0.067899|0.074402|0.066092|0.071228|0.071926|0.092962|0.150014|0.212807|0.500000| |2.055933|2.041629|1.818833|1.756945|1.884954|2.138559|2.250450|3.512007|2.907715|5.079940|3.322745|5.634574|5.056034|4.068977|0.124745|3.149297|4.752363|3.866278|3.839097|4.620269|6.436299|6.618918|12.525720|8.765120|17.583069|5.481784|1.560734|2.595286|2.065114|1.372065|0.062736|0.056507|0.052019|0.047139|0.049996|0.062434|0.071974|0.100312|0.079625|0.086951|0.079186|0.090064|0.089320|0.114480|0.214844|0.209828|0.301340|0.500000| |1.744363|1.744203|1.587046|1.550571|1.656142|1.838903|1.899170|2.875411|2.337182|4.164857|2.567777|4.367020|3.856279|3.053299|0.089808|2.524751|3.587656|3.187662|3.391396|4.245227|5.374615|4.678044|12.622847|8.855821|17.562282|6.923854|1.400978|2.337742|1.873679|1.259836|0.052526|0.047795|0.044809|0.041455|0.044495|0.053630|0.058495|0.078474|0.064227|0.070748|0.065371|0.075691|0.082158|0.115464|0.136831|0.173558|0.300520|0.301556|0.500000| |1.477047|1.451207|1.325014|1.286281|1.358689|1.496802|1.557163|2.361284|1.901915|3.346421|2.150116|3.758636|3.263463|2.785376|0.080943|2.522688|3.284729|2.987492|3.252352|4.143557|5.090926|4.229464|13.100873|8.848688|5.496725|17.580257|1.173293|1.985842|1.558352|1.057811|0.043719|0.041472|0.038299|0.034988|0.036533|0.043365|0.048830|0.064876|0.063315|0.075861|0.065469|0.071298|0.079891|0.117549|0.120963|0.215668|0.140002|0.123007|0.141266|0.500000| |1.526651|1.490278|1.360946|1.314537|1.379382|1.515134|1.586204|2.397092|1.905263|3.319238|2.141969|3.792704|3.170331|2.643691|0.079126|2.349984|2.989311|2.651340|2.783439|3.403373|4.238757|3.819153|10.266294|8.843423|6.859416|17.556544|1.199937|2.033290|1.591494|1.081021|0.045656|0.042505|0.039709|0.036061|0.036934|0.043540|0.049852|0.062534|0.060298|0.069326|0.060216|0.064195|0.068605|0.094060|0.116496|0.213273|0.203098|0.139882|0.171062|0.300410|0.500000| |1.472618|1.460792|1.340934|1.310224|1.388251|1.523762|1.571357|2.361106|1.900455|3.380094|2.101784|3.630247|3.167575|2.600806|0.075226|2.293100|3.070153|2.834314|3.133603|4.033103|4.832882|3.917201|13.045374|8.850866|6.859270|17.566718|1.197690|2.018317|1.601243|1.087799|0.043709|0.040893|0.038215|0.035343|0.037482|0.044259|0.048384|0.064035|0.058031|0.066763|0.060053|0.067883|0.077822|0.118301|0.110899|0.174358|0.167636|0.140676|0.206797|0.301014|0.300416|0.500000| |3.055816|3.932898|4.947843|7.444286|7.255055|4.858683|3.921089|4.191932|2.780571|5.122832|2.283366|3.843695|2.832823|1.798760|0.049132|1.679303|1.689685|1.669497|1.555809|1.475474|1.488284|1.588127|2.476427|1.373280|1.472997|1.244097|9.420074|10.956918|26.111203|9.072563|0.078976|0.076003|0.083094|0.122628|0.241013|0.119220|0.076847|0.059919|0.047933|0.042708|0.046712|0.047967|0.042309|0.038771|0.043919|0.038192|0.039956|0.044517|0.040376|0.033097|0.033818|0.034191|0.500000| |2.325610|2.764620|3.341133|4.240045|3.975977|3.100432|2.694869|3.075376|2.088952|3.830622|1.793695|3.058672|2.269838|1.480200|0.040472|1.403608|1.406875|1.399862|1.322460|1.261327|1.265651|1.333836|2.126724|1.180067|1.255329|1.084265|5.759869|8.970915|12.549580|17.601967|0.060508|0.059433|0.065085|0.090236|0.125103|0.079876|0.058156|0.047799|0.039948|0.036168|0.039190|0.040144|0.036255|0.033485|0.036855|0.032756|0.034180|0.037419|0.034588|0.028981|0.029551|0.029905|0.228161|0.500000| |2.549768|2.987946|3.749580|4.556036|3.869501|3.049179|2.772636|3.141592|2.084693|3.730653|1.805349|3.128046|2.255054|1.476778|0.040814|1.398914|1.391920|1.367647|1.286849|1.235440|1.252530|1.327527|2.113523|1.183887|1.264461|1.088085|6.735398|11.616315|12.281474|17.554139|0.066243|0.063896|0.073312|0.106599|0.111855|0.076161|0.060365|0.046892|0.040087|0.036131|0.038685|0.038990|0.035010|0.032721|0.037019|0.032992|0.034693|0.037686|0.034687|0.029023|0.029823|0.029907|0.198776|0.299691|0.500000| 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