Version2.2 2021-02-22T06:42:31Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 01-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)CC(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCOc2ccccc2 C08559520 RHF 6-31G(d) (6D,7F) CC(C)CC(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCOc2ccccc2 C01[X(C20H27N3O5S1)] 162 C1 493 CC(CC(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCOc1ccccc1)C CC(CC(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCOc1ccccc1)C CC(C)CC(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCOc2ccccc2 InChIKey=GQRFLZBAJOLGIM-MRXNPFEDSA-N InChI=1S/C20H27N3O5S/c1-14(2)12-17(24)22-20(29)23-9-8-21-19(26)16(23)13-18(25)28-11-10-27-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,21,26)(H,22,24,29)/t16-/m1/s1 InChI=1/C20H27N3O5S/c1-14(2)12-17(24)22-20(29)23-9-8-21-19(26)16(23)13-18(25)28-11-10-27-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,21,26)(H,22,24,29)/t16-/m1/s1/f/h21-22H CC(C)CC(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCOc2ccccc2 C01[X(C20H27N3O5S1)] 162 C01 493 CC(CC(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCOc1ccccc1)C CC(CC(=O)N[C]([N]1CC[NH][C](=O)[C@H]1CC(=O)OCCO[C]1[CH][CH][CH][CH][CH]1)=S)C CC(C)CC(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCO[C]2[CH][CH][CH][CH][CH]2 InChIKey=GQRFLZBAJOLGIM-MRXNPFEDSA-N InChI=1S/C20H27N3O5S/c1-14(2)12-17(24)22-20(29)23-9-8-21-19(26)16(23)13-18(25)28-11-10-27-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,21,26)(H,22,24,29)/t16-/m1/s1 InChI=1/C20H27N3O5S/c1-14(2)12-17(24)22-20(29)23-9-8-21-19(26)16(23)13-18(25)28-11-10-27-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,21,26)(H,22,24,29)/t16-/m1/s1/f/h21-22H 2921.3310981788 -1708.3085255 1-A 19078.0706 112 381 493 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.87755 -20.63863 -20.60355 -20.58649 -20.53866 -20.53582 -15.62499 -15.60406 -15.60311 -11.41513 -11.38435 -11.36659 -11.35744 -11.31467 -11.31004 -11.30984 -11.30814 -11.28394 -11.28295 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5.0817 20.9971 14.7674 94.3534 15.7062 0.7427 12.1894 12.3307 32.5205 22.8215 10.0084 63.3016 44.1431 24.6740 21.6315 76.9152 23.0523 3.6237 16.5360 7.6469 19.4336 30.4361 4.9876 18.4761 11.8306 17.7240 5.5840 35.5802 0.2353 35.8076 7.2284 3.8572 0.0495 28.7106 116.4947 0.8021 5.3543 15.3821 8.5716 72.4372 10.4377 21.7881 73.3615 56.7156 13.5458 18.4712 3.6017 95.2213 14.0923 95.6902 86.1387 33.0264 129.8417 190.0446 365.7648 45.0941 7.1657 70.4690 398.8150 1.7934 375.9583 118.7084 123.6558 143.7960 1.9657 174.9080 0.9901 80.1610 68.6235 78.8663 6.0875 47.3264 138.4124 11.9176 91.6029 42.0562 12.2157 67.1419 4.5548 1.8747 3.0379 22.6679 2.9013 8.5429 47.1318 13.7255 56.9862 47.1269 58.7090 615.1363 28.2130 97.1808 505.5431 429.2572 185.1853 26.7636 31.4762 22.4509 25.4907 9.2640 3.1751 42.3825 11.4343 14.5423 20.6223 23.2219 47.2981 104.9591 34.1052 36.6702 28.7798 11.5873 19.1842 2.9935 2.2534 15.0070 0.5253 38.9129 15.5080 8.0712 345.1015 60.1352 1.2639 1.2636 1.5539 1.1955 5.2112 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129.2814 53.8682 61.8377 110.6610 74.3720 59.5573 42.1713 56.2602 29.0586 29.6598 42.9344 113.5637 27.8290 73.2970 124.1568 151.1984 79.6423 116.0589 0.7436 0.7465 0.7493 0.7498 0.7499 0.7500 0.7492 0.7438 0.7319 0.7500 0.7360 0.6294 0.7154 0.5538 0.6820 0.7378 0.2053 0.3255 0.1910 0.3325 0.5063 0.7008 0.3208 0.7494 0.6829 0.5690 0.2389 0.0970 0.4844 0.5349 0.3871 0.0810 0.1014 0.7191 0.3091 0.5132 0.6790 0.7297 0.6896 0.3164 0.7497 0.1946 0.7288 0.7190 0.7481 0.7487 0.5155 0.4573 0.4759 0.4605 0.7418 0.7428 0.5072 0.1564 0.3614 0.5393 0.1058 0.1061 0.2682 0.6699 0.6192 0.3037 0.7277 0.6568 0.4898 0.2028 0.5485 0.3308 0.7500 0.5858 0.6543 0.1033 0.7115 0.6932 0.5875 0.7495 0.1145 0.5872 0.5230 0.5034 0.3725 0.6292 0.0977 0.4139 0.6796 0.0266 0.1975 0.7198 0.6610 0.7481 0.7122 0.6086 0.6764 0.6896 0.6894 0.4665 0.7291 0.7447 0.1376 0.7010 0.4895 0.7357 0.6949 0.7097 0.4088 0.6809 0.7374 0.2966 0.6106 0.7463 0.7386 0.7351 0.7181 0.7484 0.6737 0.4453 0.7262 0.7472 0.4991 0.7499 0.7112 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0.8200 0.8302 0.5803 0.8102 0.8489 0.4575 0.7583 0.8548 0.8496 0.8473 0.8359 0.8561 0.8050 0.6162 0.8414 0.8553 0.6658 0.8571 0.8313 0.8219 0.8501 0.8383 0.8010 0.8489 0.7824 0.8369 0.7913 0.7649 0.8559 0.7459 0.6877 0.5734 0.3854 0.3405 0.2420 0.0189 0.2253 0.8144 0.8022 0.3195 0.7112 0.7900 0.1424 0.6393 0.8513 0.5208 0.2417 0.7997 0.8040 0.7642 0.8421 0.3286 0.7773 0.8544 0.5481 0.5393 0.2301 0.2152 0.3227 0.4458 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 8 7 6 16 7 6 6 7 6 8 6 1 6 6 8 8 6 6 8 6 6 6 6 6 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 15.99491 14.00307 12.00000 31.97207 14.00307 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 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 9131.3027 27681.1029 31793.7599 0.99987 0.01590 -0.00393 -0.01596 0.99975 -0.01544 0.00368 0.01550 0.99987 1 0.00949 0.00313 0.00272 0.19764 0.06520 0.05676 11.57 17.96 32.24 37.26 42.83 48.57 65.72 70.80 105.02 115.66 133.76 152.69 157.25 179.46 195.97 216.77 248.18 282.20 288.41 330.66 351.21 356.72 368.70 385.69 401.18 413.65 443.41 490.72 532.24 554.81 563.71 629.16 652.88 664.94 666.37 678.26 701.54 742.09 748.23 798.12 820.90 873.88 895.21 919.52 950.44 971.66 974.06 988.62 1039.88 1089.81 1107.91 1114.30 1121.23 1163.60 1214.09 1224.23 1257.97 1291.82 1334.17 1340.02 1376.27 1407.57 1420.33 1449.63 1455.72 1457.41 1465.86 1490.91 1508.79 1516.49 1552.73 1562.02 1573.54 1587.47 1598.61 1606.37 1622.70 1667.48 1707.92 1714.73 1734.18 1747.19 1749.18 1753.18 1770.51 1775.35 1803.58 1840.56 1865.47 1867.72 1887.24 1921.17 1924.90 1940.06 1994.27 1994.88 1998.98 1999.93 2037.61 2060.29 2072.81 2093.33 2097.85 2114.40 2127.87 2131.30 2161.16 2219.57 2224.19 2234.71 2241.09 2251.43 2261.65 2265.96 2278.80 2304.31 2315.38 2322.04 2340.01 2352.98 2361.52 2363.12 2373.82 2376.94 2383.57 2387.68 2390.66 2414.48 2414.78 2522.75 2575.89 2604.48 2810.15 2835.03 2924.26 4589.98 4594.90 4605.37 4619.53 4647.75 4660.40 4660.89 4671.28 4674.46 4685.97 4691.29 4693.38 4702.19 4708.23 4731.91 4732.68 4749.78 4800.03 4823.81 4834.41 4847.94 4861.12 4872.05 4885.80 4895.73 5438.71 5541.10 0.499326 0.526810 0.527754 0.434637 -1707.809199 -1707.781716 -1707.780772 -1707.873888 3.123126D-04 MUNgauss RevisionA2.1 retrievium 22-Feb-2021 DUDE CC(C)CC(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCOc2ccccc2 C08559520 RHF 6-31G(d) (6D,10F) C1 421.167143 |X|Y|Z| 117.214281 62.048863 38.584261 65.469875 18 6 7 8 14 2 2 |36.858105| |12.439842|36.858105| |7.554017|12.440745|36.858105| |7.519376|12.433906|7.591504|36.858105| |6.052435|7.443081|4.911242|12.541757|36.858105| |5.819957|6.666464|4.416391|7.970797|16.067752|73.516695| |4.503544|5.059114|3.864312|7.864317|13.645943|14.847274|53.358707| |3.500118|3.789757|3.051635|5.093209|7.638949|11.547281|18.855381|36.858105| |3.045769|3.351286|2.747100|4.157937|5.917736|10.753665|9.696609|11.468921|388.023441| |3.042523|3.166595|2.656924|4.072451|5.285126|8.164962|11.342610|13.963906|50.749430|53.358707| |2.492998|2.576448|2.222101|3.139799|3.884234|6.420410|7.101972|7.777741|44.809594|17.790634|36.858105| |2.392235|2.393832|2.054616|2.800793|3.462749|6.014442|5.857759|5.847932|37.371537|10.669513|12.561082|36.858105| |2.496619|2.421965|2.079208|2.804761|3.388595|5.803228|5.669556|5.100690|29.775599|9.436558|7.880944|13.099921|53.358707| |2.798447|2.681849|2.294055|3.161048|3.759225|6.175349|6.482573|5.402054|28.462685|10.396863|6.793721|7.623562|19.316242|36.858105| |2.752814|2.564519|2.223015|2.937412|3.345240|5.524208|5.448848|4.198842|23.157745|7.225159|4.773799|5.294573|11.579575|15.850025|73.516695| |3.144419|3.127478|2.651046|3.934562|4.745412|7.240928|9.334355|7.651314|33.848310|17.697524|7.847575|6.472328|10.486660|12.408989|14.363003|36.858105| |3.774567|3.666400|3.025893|4.694490|5.669800|8.324027|11.058657|7.408009|32.468548|12.437705|5.732536|5.104022|8.209751|9.168405|13.336993|17.702327|0.500000| |2.757946|2.779030|2.469518|3.449445|3.792536|5.757779|6.930405|5.271143|26.418661|10.313729|6.010342|4.819840|7.487871|7.672138|11.581760|12.416287|0.247513|36.858105| |2.893318|3.019757|2.752402|3.871646|3.978136|5.801594|7.178121|4.933434|25.146448|8.220429|4.690202|3.712507|5.357481|4.952880|7.985513|7.457081|0.193705|12.643460|36.858105| |3.403144|3.660690|3.313922|4.988992|4.877012|6.726381|8.865883|5.362072|26.702726|7.910412|4.266043|3.431594|4.860647|4.410228|7.153367|6.621226|0.198212|7.924518|15.932852|73.516695| |2.461653|2.573563|2.427027|3.165712|3.170170|4.780461|5.352046|3.798551|21.047842|6.131538|3.911883|3.174646|4.518353|3.957090|6.606873|5.162201|0.132431|8.169821|14.517865|15.341304|73.516695| |2.386642|2.547170|2.488504|3.098699|2.958392|4.464243|4.759806|3.272540|18.911022|4.910544|3.166538|2.626296|3.663728|3.106010|5.265679|3.895398|0.105260|5.187718|8.117095|12.775463|23.783795|36.858105| |2.009706|2.123710|2.097053|2.493359|2.409192|3.746148|3.778170|2.685137|16.208682|4.034956|2.750059|2.333544|3.238007|2.665867|4.573590|3.150927|0.083652|4.077626|5.289975|8.221154|14.302672|12.634817|36.858105| |1.880642|2.001161|1.955528|2.353640|2.331124|3.663415|3.687850|2.712972|16.737163|4.107860|2.904328|2.421962|3.273826|2.623390|4.401597|3.080572|0.079525|3.911245|4.774402|7.341500|12.034857|8.113082|13.639961|73.516695| |1.659010|1.753163|1.721767|2.018600|2.007677|3.212636|3.115607|2.317607|14.712763|3.481417|2.533932|2.168997|2.922990|2.294826|3.886367|2.595552|0.067095|3.179220|3.619073|5.688635|8.359167|5.237231|7.993138|25.014545|36.858105| |1.565185|1.658722|1.617978|1.904116|1.923988|3.113151|2.983196|2.269514|14.766968|3.401468|2.553351|2.182006|2.877894|2.205683|3.687856|2.465009|0.063005|2.928604|3.204448|5.087089|6.956049|4.094998|5.258486|14.572575|13.682736|36.858105| |1.406134|1.481527|1.451206|1.674109|1.691142|2.769861|2.581152|1.964737|13.011072|2.915818|2.210611|1.938625|2.561364|1.940513|3.275732|2.117113|0.054512|2.454664|2.617625|4.221365|5.488383|3.204649|3.986175|9.415421|7.941323|13.822846|36.858105| |1.335901|1.398388|1.380364|1.563786|1.564509|2.567570|2.362554|1.775847|11.717574|2.622314|1.964693|1.752652|2.350804|1.793147|3.072777|1.936830|0.050446|2.243774|2.394321|3.886662|5.022885|2.977875|3.783916|8.194373|6.847820|7.919711|13.697554|36.858105| |1.393225|1.454124|1.443548|1.626145|1.609474|2.624049|2.428426|1.800136|11.700984|2.660855|1.957872|1.747448|2.376931|1.841247|3.186307|1.999724|0.052504|2.352502|2.555165|4.138692|5.486252|3.343332|4.506200|9.234810|7.949043|6.896085|7.979383|13.810438|36.858105| |1.548879|1.621965|1.608994|1.836075|1.807409|2.911800|2.755896|2.026456|12.929581|3.015486|2.184080|1.919369|2.623937|2.064179|3.564245|2.286539|0.060014|2.762362|3.096656|4.951790|6.967305|4.411446|6.711507|13.976613|13.755761|7.922651|6.872132|7.898503|13.693857|36.858105| |17.509070|8.767411|6.836161|6.795629|5.335022|8.547148|5.917565|3.373380|20.228442|4.137589|2.478741|2.369629|3.432770|2.894249|5.168851|3.265098|0.110730|2.928222|3.106633|6.536175|4.688946|2.560337|2.138184|3.500582|1.728894|1.613900|1.446378|1.380686|1.450962|1.622045|0.500000| |17.548062|8.790476|6.915535|5.477553|4.634092|8.361669|4.918955|2.953940|18.962122|3.549575|2.199124|2.136402|3.025620|2.449730|4.323607|2.681433|0.086954|2.390106|2.490224|5.088396|3.854370|2.120407|1.819007|3.034882|1.522556|1.441036|1.305167|1.245757|1.297614|1.432165|0.301743|0.500000| |17.583191|8.757041|5.484990|6.828339|6.710187|12.439552|6.694844|3.869486|23.868296|4.524835|2.706863|2.646562|3.781425|3.103738|5.395577|3.430056|0.115776|2.892004|2.934073|6.026769|4.382927|2.336383|1.973535|3.314526|1.647465|1.564121|1.405636|1.330362|1.380981|1.531629|0.300483|0.302216|0.500000| |8.923750|17.569973|8.905455|8.955532|7.066136|13.102334|6.391428|3.694652|24.647311|4.116185|2.510916|2.353258|3.183200|2.527489|4.253801|2.897064|0.092018|2.547297|2.715492|5.703789|4.160414|2.307608|1.955672|3.326589|1.654278|1.582782|1.421308|1.337640|1.380534|1.528149|0.173616|0.213385|0.213580|0.500000| |6.803742|8.754937|17.518545|6.863714|4.484845|6.932629|5.106698|2.957370|18.428118|3.601615|2.205572|2.031637|2.834639|2.331937|4.064997|2.708781|0.086427|2.581339|2.931995|6.340876|4.616667|2.696605|2.251560|3.665346|1.805274|1.676229|1.499103|1.433295|1.511812|1.696067|0.201597|0.168921|0.139177|0.173328|0.500000| |5.481111|8.748137|17.539333|6.905185|4.634610|7.400707|5.081297|3.000358|19.631741|3.533850|2.192333|2.002061|2.715309|2.177609|3.711052|2.533602|0.078665|2.386158|2.691559|5.755382|4.272891|2.503555|2.119005|3.542442|1.755396|1.656366|1.484396|1.407271|1.466992|1.633821|0.139407|0.141229|0.122492|0.213212|0.301293|0.500000| |6.925948|8.783610|17.549921|5.503557|4.052020|6.855705|4.429956|2.666485|17.466220|3.199757|2.004916|1.883900|2.601523|2.088317|3.630558|2.354104|0.073907|2.194552|2.399110|4.994714|3.813547|2.192510|1.884337|3.135000|1.571368|1.482405|1.341386|1.282074|1.338639|1.480107|0.170288|0.208560|0.141307|0.212428|0.301766|0.301748|0.500000| |5.484945|8.801199|7.154012|17.498254|9.093696|11.532579|9.336016|4.808842|29.321535|5.240045|3.042453|2.654979|3.536285|2.874546|4.708621|3.587075|0.113111|3.258825|3.766152|8.629594|5.620987|3.188620|2.569283|4.352491|2.094065|1.982389|1.736826|1.614658|1.674219|1.892390|0.140832|0.122944|0.138748|0.209818|0.177374|0.214877|0.143801|0.500000| |6.934636|8.793288|6.758636|17.522807|8.863807|10.637815|10.223366|4.877765|26.763159|5.689032|3.173916|2.812956|3.935251|3.369222|5.659534|4.297427|0.147364|3.889903|4.544750|11.044044|6.450932|3.554490|2.776392|4.546793|2.164410|2.008783|1.754296|1.645796|1.728897|1.973145|0.205499|0.140936|0.171987|0.174332|0.199763|0.165640|0.139072|0.304508|0.500000| |4.340262|4.852931|3.911263|7.702456|9.325142|10.851368|25.914872|9.444454|38.878241|10.642907|4.936712|3.982225|5.429369|4.778429|7.311627|7.394878|0.251286|6.019246|6.915872|17.408217|8.525570|4.224784|3.198852|5.434370|2.522569|2.370994|2.025834|1.857173|1.928695|2.221203|0.122688|0.096792|0.125744|0.119251|0.109972|0.104947|0.090256|0.191733|0.242429|0.500000| |2.379335|2.509908|2.176980|3.045552|3.768875|6.344356|6.654346|7.381590|52.458039|12.444358|17.726927|8.859018|7.724110|4.949182|6.713171|5.685143|0.127749|4.714230|4.060953|6.809029|6.233648|2.960918|2.605995|4.982705|2.470761|2.539168|2.207861|1.943853|1.914841|2.118620|0.064832|0.058745|0.071268|0.069050|0.059386|0.060468|0.054649|0.083973|0.083504|0.125384|0.500000| |2.296410|2.367757|2.087659|2.863565|3.374331|5.499507|6.027705|5.831139|33.918755|12.539693|17.580683|8.891191|9.537139|6.438908|8.413934|7.325035|0.145456|6.820777|5.093044|7.690953|7.871094|3.455899|3.049968|5.838302|2.856888|2.890714|2.471928|2.175961|2.163967|2.428221|0.064356|0.056619|0.068175|0.063457|0.058277|0.057354|0.052418|0.077803|0.082127|0.123733|0.302163|0.500000| |2.492333|2.492252|2.108551|2.883281|3.670296|6.639490|5.994589|6.071990|43.177311|9.391961|8.886920|17.597195|12.349054|6.162399|8.172075|5.495210|0.131277|4.048017|3.303350|5.649517|5.016096|2.401543|2.129847|3.905743|1.975930|1.988557|1.780097|1.616897|1.611434|1.761156|0.067369|0.061994|0.077734|0.069161|0.057169|0.057010|0.053930|0.075515|0.078567|0.108218|0.217402|0.174395|0.500000| |2.105893|2.110358|1.843763|2.426739|2.909043|5.088803|4.754150|4.501291|30.761381|7.706172|8.885750|17.575699|12.508425|5.828074|7.961720|4.946647|0.112011|4.118705|3.255097|5.292331|5.157173|2.427680|2.213123|4.139773|2.124482|2.169101|1.949103|1.757649|1.735292|1.884727|0.058039|0.052943|0.063974|0.057873|0.050718|0.050178|0.047324|0.064722|0.067702|0.091572|0.208410|0.218347|0.301022|0.500000| |2.327018|2.225957|1.926733|2.512591|2.975796|5.194990|4.759217|4.096884|25.262682|6.943374|5.709093|8.965015|26.000298|9.653236|14.032208|5.678984|0.134745|4.468507|3.345098|5.445904|5.169707|2.405531|2.164293|3.876553|1.976868|1.949549|1.758412|1.627530|1.644400|1.797864|0.065334|0.058340|0.071956|0.059962|0.053607|0.051193|0.049733|0.064618|0.071745|0.093243|0.125709|0.147855|0.204485|0.220341|0.500000| |2.677691|2.624424|2.358148|3.149632|3.370696|5.214935|5.780955|4.241927|22.411917|7.591676|4.730275|4.203832|6.975530|7.413892|13.369207|8.913177|0.212852|17.566750|9.086937|11.401468|12.652367|4.769151|3.898170|6.410996|3.005901|2.728909|2.328924|2.172609|2.306072|2.695813|0.080387|0.065033|0.077793|0.066434|0.069214|0.062575|0.058841|0.081567|0.099685|0.136387|0.106206|0.146134|0.099717|0.102613|0.122199|0.500000| |2.409949|2.450697|2.205455|2.984849|3.290818|5.132951|5.850664|4.737993|25.382958|9.367259|6.527924|5.045783|7.453599|6.716603|9.955656|8.713500|0.173361|17.603124|9.010444|10.696674|13.763325|4.944177|4.165069|7.529400|3.478887|3.271013|2.714370|2.440130|2.525389|2.956857|0.070080|0.058958|0.070059|0.063481|0.063490|0.059926|0.054954|0.080158|0.090813|0.134311|0.141620|0.240019|0.113063|0.125206|0.124224|0.304822|0.500000| |2.456994|2.697761|2.643782|3.348607|3.173670|4.741645|5.113898|3.493977|20.374155|5.073212|3.242629|2.636614|3.582021|2.982955|4.948997|3.806181|0.103225|4.749034|7.314771|13.101508|16.489758|17.651539|8.885951|13.312577|4.936523|4.073485|3.169368|2.881515|3.146419|4.034558|0.072178|0.060455|0.066521|0.068224|0.078813|0.075292|0.064023|0.098911|0.105140|0.126408|0.086323|0.096528|0.067747|0.067437|0.064952|0.116069|0.126416|0.500000| |2.527673|2.675260|2.657783|3.215740|2.967856|4.461131|4.643884|3.084310|17.803363|4.524835|2.869859|2.446474|3.472483|2.980730|5.180373|3.684684|0.103842|4.725911|7.143113|12.554791|16.508669|17.610782|8.893378|10.295830|4.246076|3.393799|2.778544|2.655152|3.009243|3.855945|0.076773|0.062343|0.067782|0.066238|0.081890|0.073508|0.064897|0.090792|0.105296|0.115214|0.074244|0.085027|0.062889|0.062524|0.063961|0.127150|0.119157|0.300671|0.500000| |1.938950|2.060397|2.074860|2.384257|2.260069|3.532067|3.457806|2.426842|14.913146|3.550765|2.417242|2.081075|2.877042|2.348132|4.056730|2.740089|0.074167|3.382576|4.295702|7.138776|10.259788|8.977074|17.534273|16.515649|7.016403|4.756109|3.787106|3.726603|4.560583|6.706026|0.057301|0.049121|0.052353|0.052718|0.062192|0.058646|0.051981|0.068882|0.073426|0.080557|0.064432|0.072994|0.053489|0.054945|0.053882|0.090760|0.094254|0.209884|0.219829|0.500000| |1.934966|2.007329|1.973704|2.324737|2.262917|3.550407|3.534339|2.525876|15.234914|3.850720|2.652462|2.298723|3.251616|2.692956|4.713703|3.095850|0.081981|4.074732|4.968743|7.479164|13.255327|8.913027|17.563380|16.506334|7.098727|4.795301|3.819422|3.763165|4.615369|6.808878|0.057530|0.048841|0.053035|0.051333|0.058971|0.054778|0.049676|0.065402|0.072059|0.082426|0.068843|0.082344|0.057920|0.060917|0.060936|0.113443|0.116334|0.174352|0.209870|0.300056|0.500000| |1.629506|1.738124|1.680806|2.014916|2.060744|3.331302|3.230655|2.497447|16.348264|3.754901|2.857097|2.388783|3.090807|2.347603|3.858542|2.653718|0.067044|3.124851|3.402054|5.397742|7.216816|4.123529|4.880599|13.507209|8.956048|17.735640|8.885476|5.624765|4.965631|5.656591|0.046392|0.041512|0.045430|0.046265|0.048050|0.047946|0.042613|0.058554|0.058640|0.071000|0.080071|0.090525|0.060287|0.066016|0.057624|0.078865|0.098390|0.118211|0.093484|0.120005|0.120615|0.500000| |1.347031|1.420268|1.386655|1.599085|1.627679|2.686210|2.475636|1.903290|12.809943|2.811219|2.163054|1.906902|2.490960|1.861510|3.126403|2.014115|0.051732|2.290362|2.402585|3.905071|4.901341|2.812443|3.333013|7.615755|5.652137|8.970136|17.714325|8.895423|5.662499|4.951342|0.038268|0.034819|0.037526|0.038093|0.039535|0.039464|0.035709|0.046123|0.046148|0.053402|0.060715|0.066893|0.048809|0.053742|0.047647|0.060096|0.070520|0.078403|0.068407|0.088086|0.088695|0.214596|0.500000| |1.242392|1.296774|1.281766|1.438125|1.440445|2.380461|2.157981|1.624155|10.822283|2.384389|1.794886|1.620910|2.172850|1.645742|2.830016|1.757826|0.045944|2.005792|2.114090|3.461758|4.342403|2.551016|3.128163|6.503758|4.939690|5.637903|8.878791|17.727357|8.918292|5.625671|0.035583|0.032333|0.034391|0.034586|0.036867|0.036285|0.033240|0.041178|0.041840|0.046777|0.049490|0.054806|0.041746|0.045387|0.042072|0.054231|0.060283|0.068902|0.064299|0.086388|0.087128|0.123702|0.213986|0.500000| |1.327402|1.378407|1.375260|1.527001|1.504040|2.461510|2.248689|1.657059|10.795194|2.435726|1.784939|1.613025|2.209286|1.712944|2.992155|1.843073|0.048788|2.148115|2.319106|3.791919|4.901508|2.985874|3.907522|7.451294|5.660778|4.963706|5.658767|8.935584|17.713301|8.942287|0.038478|0.034500|0.036471|0.036339|0.040093|0.038729|0.035600|0.043516|0.045111|0.049477|0.048376|0.054343|0.041516|0.044490|0.042739|0.059221|0.063297|0.077650|0.076850|0.112720|0.113936|0.107735|0.124234|0.214796|0.500000| 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