Version2.2 2021-02-13T04:32:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(c(c1)[C@@H](c2c3c(sc2NC(=O)c4ccco4)CCCC3)Nc5cccc[nH+]5)Cl C38550618 RHF 6-31G(d) (6D,7F) c1ccc(c(c1)[C@@H](c2c3c(sc2NC(=O)c4ccco4)CCCC3)Nc5cccc[nH+]5)Cl C01[X(C25H23Cl1N3O2S1)] 159 C1 534 O=C(c1ccco1)Nc1sc2c(c1[C@H](c1ccccc1Cl)Nc1cccc[nH+]1)CCCC2 O=C(c1ccco1)Nc1sc2c(c1[C@H](c1ccccc1Cl)Nc1cccc[nH+]1)CCCC2 Clc1ccccc1[C@H](Nc2cccc[nH+]2)c3c(NC(=O)c4occc4)sc5CCCCc35 InChIKey=XUIKQQPJWLOLII-QHCPKHFHSA-O InChI=1S/C25H22ClN3O2S/c26-18-10-3-1-8-16(18)23(28-21-13-5-6-14-27-21)22-17-9-2-4-12-20(17)32-25(22)29-24(30)19-11-7-15-31-19/h1,3,5-8,10-11,13-15,23H,2,4,9,12H2,(H,27,28)(H,29,30)/p+1/t23-/m0/s1 InChI=1/C25H22ClN3O2S/c26-18-10-3-1-8-16(18)23(28-21-13-5-6-14-27-21)22-17-9-2-4-12-20(17)32-25(22)29-24(30)19-11-7-15-31-19/h1,3,5-8,10-11,13-15,23H,2,4,9,12H2,(H,27,28)(H,29,30)/p+1/t23-/m0/s1/fC25H23ClN3O2S/h27-29H/q+1 c1ccc(c(c1)[C@@H](c2c3c(sc2NC(=O)c4ccco4)CCCC3)Nc5cccc[nH+]5)Cl C01[X(C25H23Cl1N3O2S1)] 159 C01 534 O=C(c1ccco1)Nc1sc2c(c1[C@H](c1ccccc1Cl)Nc1cccc[nH+]1)CCCC2 O=C(C1=[CH][CH]=CO1)N[C]1SC2=[C]([C]=1[C@H]([C]1[CH][CH][CH][CH][C]1Cl)[NH][C]1[NH]C=[CH][CH][CH]1)CCCC2 Cl[C]1[CH][CH][CH][CH][C]1[C@H](N[C]2[CH][CH]C=CN2)c3c(NC(=O)c4occc4)sc5CCCCc35 InChIKey=CNPAOECPYMMBHF-QHCPKHFHSA-N InChI=1S/C25H23ClN3O2S/c26-18-10-3-1-8-16(18)23(28-21-13-5-6-14-27-21)22-17-9-2-4-12-20(17)32-25(22)29-24(30)19-11-7-15-31-19/h1,3,5-8,10-11,13-15,23,27-28H,2,4,9,12H2,(H,29,30)/t23-/m0/s1 InChI=1/C25H23ClN3O2S/c26-18-10-3-1-8-16(18)23(28-21-13-5-6-14-27-21)22-17-9-2-4-12-20(17)32-25(22)29-24(30)19-11-7-15-31-19/h1,3,5-8,10-11,13-15,23,27-28H,2,4,9,12H2,(H,29,30)/t23-/m0/s1/f/h29H 3631.6541540891 -2129.9807026 1-A 14301.8730 121 413 534 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0.9545 3.3856 2.4366 1.0632 1.0802 0.9917 1.7253 3.3515 1.6064 1.4278 2.2997 1.0747 1.5125 2.4963 2.2340 2.8887 3.4328 1.6791 1.6447 1.8006 2.0445 1.1003 1.2298 2.2908 1.3953 1.5454 2.0701 3.2946 1.9115 2.1373 2.1589 1.4279 1.6832 1.8992 3.8067 2.5540 1.9013 2.5671 1.9024 1.9688 1.8514 1.8055 2.1192 3.5064 3.7819 3.0789 2.9248 1.7736 1.7059 1.7370 3.8255 5.8871 1.7994 11.2747 3.6892 4.8635 9.2455 3.8094 7.8873 9.9519 10.9978 5.1448 8.9828 15.1755 6.4584 6.4655 6.4703 6.5253 6.8181 6.8338 6.9153 6.8135 6.9412 7.3187 7.4027 7.4523 7.4678 7.5228 7.5630 7.6988 7.6942 7.6878 7.7885 7.9458 9.0583 9.1891 9.3248 0.9991 0.4255 1.1669 0.5725 0.2920 1.7765 1.5065 0.7913 1.9503 0.7935 2.5099 0.7598 9.6771 4.4907 0.9763 2.0296 2.6375 3.0782 7.2409 3.0456 3.3601 0.6387 3.3633 2.6304 4.9882 6.1256 5.1607 1.0818 2.1744 0.9725 3.6054 0.9231 1.5204 0.7488 1.9260 54.0248 1.7206 29.2150 2.7015 17.8725 5.0051 59.7428 4.2158 54.4439 8.3056 16.9789 0.6907 21.5688 6.7200 73.9634 21.8397 27.9000 0.9840 71.5281 38.8567 47.9792 145.8699 74.7902 59.1436 6.5777 2.8440 2.1594 36.6915 18.9288 15.8170 18.3648 1.2496 1.4629 0.4226 9.4957 10.3474 6.0381 1.0255 16.5394 1.9472 4.6206 41.3092 2.0144 2.3380 51.2220 12.7385 10.2540 16.8565 1.2469 1.7573 23.0344 43.6718 2.4364 27.8181 2.9503 27.8880 33.5908 25.9319 0.8167 72.3351 30.6495 0.8628 12.7165 25.0363 39.0289 22.7402 22.7928 55.1489 8.8016 18.4224 22.5542 235.6929 41.7596 164.4601 71.8507 0.0665 1.1075 38.9919 7.3415 5.1241 9.3546 31.5169 16.5296 10.9047 8.0526 4.8362 2.5918 29.5608 134.0390 0.9874 63.4764 185.6111 490.8362 4.9212 33.6207 88.4053 14.3567 95.9536 526.3592 387.5192 312.5983 20.4167 28.0084 24.7198 23.3709 28.5808 58.5881 55.1752 0.6549 29.0537 0.9762 8.1922 1.6160 7.4776 4.0006 1.0072 0.2953 2.6743 0.9741 0.2617 0.0007 88.6037 248.0535 74.7419 0.6794 3.3922 1.5414 4.8358 3.7680 5.7921 1.8324 3.0722 4.0956 0.9774 0.5452 2.0231 2.5912 0.6811 3.3200 3.1883 2.0888 0.8423 1.7010 0.9837 1.8949 1.2458 1.6887 1.3177 0.4673 4.0947 2.1959 1.4648 2.6380 1.5361 4.5092 0.5209 3.6456 2.7754 0.9487 2.2751 0.5467 2.6949 1.3501 5.3160 3.3622 5.6214 3.0401 1.4898 4.4652 4.7895 5.4581 3.7079 5.4566 3.3603 2.8385 2.3099 0.7655 2.3461 3.6412 2.3400 1.8853 8.2536 0.8273 1.9801 1.7999 4.9415 2.9259 17.1847 0.4790 10.9287 2.4394 2.9645 0.9716 3.2506 12.6575 5.4988 4.6153 7.6537 18.2574 3.7072 20.4533 1.1553 1.3037 4.6008 6.1322 4.0159 18.0157 1.5820 4.9514 5.0943 5.4505 15.5141 11.2961 4.5349 6.9874 2.2846 9.3295 1.0949 13.4590 6.6066 6.8875 2.9248 5.8093 1.6949 18.2071 1.1520 25.2094 3.0270 14.4279 6.7944 19.2356 26.2944 19.5137 28.2581 0.8594 8.6479 7.2470 2.6249 0.5140 18.7478 63.4272 1.2726 9.7033 34.9458 3.8437 19.8394 6.3448 292.5455 4.8396 123.9569 55.2568 29.6336 11.7254 10.2947 16.7383 35.8055 123.5623 20.6042 31.8579 101.8573 60.1370 153.8490 40.8241 61.8584 91.7847 167.9268 126.0001 43.0022 45.3321 48.4434 95.8207 82.0709 74.7427 212.3978 80.3901 146.9159 85.5001 95.9814 49.2487 131.0680 13.9847 80.3635 42.8710 0.7479 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0.8050 0.4279 0.7745 0.7884 0.5358 0.8399 0.3082 0.4151 0.5086 0.2273 0.6081 0.4143 0.6656 0.3423 0.7406 0.2168 0.6234 0.8558 0.8035 0.5646 0.4496 0.2548 0.7090 0.2923 0.3050 0.7927 0.3482 0.2789 0.6636 0.2017 0.2953 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 6 6 6 6 1 6 6 6 16 6 7 6 8 6 6 6 6 8 6 6 6 6 7 6 6 6 6 6 7 1 17 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 1.00783 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 34.96885 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 11868.0771 16964.8589 22931.2001 0.99959 0.02692 -0.01000 -0.02693 0.99964 -0.00144 0.00996 0.00171 0.99995 1 0.00730 0.00511 0.00378 0.15207 0.10638 0.07870 22.53 36.81 57.18 63.40 73.85 79.42 87.11 94.09 101.42 159.40 185.20 193.29 205.38 234.08 250.52 259.90 278.92 307.07 336.20 350.73 398.14 428.53 450.21 464.65 478.52 502.06 572.23 607.43 618.31 630.89 655.79 708.60 716.71 731.07 757.71 793.31 809.46 839.32 867.67 900.56 905.81 929.83 938.50 949.02 971.45 977.49 984.20 1020.41 1076.00 1115.95 1129.81 1155.16 1175.78 1214.98 1229.00 1242.23 1247.03 1262.30 1273.96 1294.10 1317.76 1321.15 1363.01 1372.56 1394.21 1395.79 1438.92 1441.82 1448.27 1461.55 1497.56 1499.97 1501.01 1551.73 1574.25 1584.23 1590.73 1593.67 1613.67 1628.62 1634.33 1637.86 1650.23 1665.10 1678.61 1686.07 1724.04 1738.34 1740.02 1749.09 1771.40 1798.46 1800.38 1825.69 1848.52 1875.39 1901.69 1903.01 1911.66 1937.92 1959.84 1987.86 1991.14 2006.35 2023.83 2038.09 2050.56 2080.08 2112.70 2148.40 2169.99 2184.14 2195.38 2209.64 2210.15 2224.61 2234.86 2315.56 2325.09 2338.43 2350.60 2358.20 2370.38 2373.24 2377.79 2422.74 2443.13 2451.99 2546.94 2558.02 2572.29 2587.92 2597.53 2615.92 2658.74 2724.21 4606.49 4611.80 4620.37 4631.67 4672.70 4684.35 4694.74 4695.11 4710.79 4860.37 4880.33 4894.01 4894.20 4907.32 4931.56 4955.35 4967.18 4968.97 4987.54 5021.80 5427.33 5472.14 5513.37 0.473272 0.498853 0.499797 0.414748 -2129.507431 -2129.481850 -2129.480906 -2129.565955 2.852557D-04 MUNgauss RevisionA2.1 retrievium 13-Feb-2021 DUDE c1ccc(c(c1)[C@@H](c2c3c(sc2NC(=O)c4ccco4)CCCC3)Nc5cccc[nH+]5)Cl C38550618 RHF 6-31G(d) (6D,10F) C1 464.119952 |X|Y|Z| 70.008999 87.690923 41.362793 63.324649 30 6 7 8 16 25 3 1 1 |36.858105| |13.760449|36.858105| |7.959226|13.775706|36.858105| |6.911631|7.959817|13.759676|36.858105| |7.871029|6.802768|7.858782|13.685737|36.858105| |13.774189|7.952155|6.901786|8.009203|13.697629|36.858105| |4.979374|4.405407|4.989371|7.518197|12.499576|7.473244|36.858105| |4.269637|4.012536|4.742250|7.125573|9.010739|5.765299|17.613117|0.500000| |3.993655|3.665619|4.140311|5.716425|7.338184|5.347073|12.461614|0.251782|36.858105| |3.918362|3.620964|3.972415|5.040212|5.986691|4.931038|7.069965|0.153925|13.070781|36.858105| |3.076092|2.918651|3.189560|3.847669|4.252513|3.654122|5.000804|0.120953|8.179201|14.103991|36.858105| |2.639372|2.524179|2.791179|3.400143|3.717294|3.136951|4.730672|0.124523|7.410162|7.418191|11.028865|388.023441| |3.135518|2.951344|3.323414|4.330955|5.018251|3.938499|7.657795|0.204584|14.105873|8.197056|7.734917|78.473139|36.858105| |2.802138|2.657913|2.985643|3.812372|4.301621|3.451263|6.391256|0.201737|7.667934|5.147246|4.962421|49.970370|13.487516|53.358707| |2.598075|2.415254|2.626278|3.236897|3.738153|3.183438|5.321846|0.160350|5.694348|4.177002|4.031928|37.847902|7.813394|19.102249|36.858105| |2.688462|2.431478|2.573569|3.128870|3.758120|3.339257|5.306154|0.146191|5.556860|4.221793|3.990135|34.727896|6.736249|11.439990|15.719158|73.516695| |2.234107|2.113898|2.295389|2.745987|3.036238|2.642426|3.963378|0.123225|4.047879|3.200248|3.158325|28.893144|5.128854|10.865682|12.985489|14.503390|36.858105| |2.007853|1.892644|2.018860|2.352621|2.592584|2.334544|3.231805|0.097531|3.234544|2.677769|2.651105|23.203224|3.849120|7.031897|7.447690|11.392848|14.164842|36.858105| |1.812319|1.737369|1.863784|2.141960|2.292660|2.064676|2.760408|0.084380|2.757392|2.334514|2.331980|20.204825|3.233760|5.722326|5.193123|7.847407|8.592264|13.310990|36.858105| |1.871283|1.818078|1.984093|2.300698|2.417497|2.130029|2.920386|0.091601|2.945253|2.468615|2.476667|21.869374|3.525504|6.451640|5.370732|7.530142|8.808233|8.615180|14.175743|36.858105| |2.117086|2.050442|2.265149|2.696633|2.862720|2.456862|3.609128|0.115901|3.701089|2.980730|2.977717|27.325257|4.666728|9.611035|7.849490|9.593544|14.090389|8.606103|8.616900|14.239777|73.516695| |2.706268|2.602753|2.780170|3.160995|3.363623|3.054525|3.656537|0.090784|5.026144|7.466335|12.638618|48.053612|4.834170|4.912398|3.108947|5.532925|2.575105|2.238241|2.009589|2.116486|4.376326|36.858105| |2.966118|2.879475|3.021755|3.306807|3.448450|3.235336|3.472763|0.085115|4.418511|6.624873|7.647237|32.914117|3.915449|4.136632|2.658762|4.774997|2.239491|1.973643|1.787502|1.875529|3.825729|12.452701|36.858105| |3.637400|3.374039|3.402221|3.711364|4.078567|4.021645|3.960524|0.092633|4.855322|7.542945|6.793615|29.994499|3.967802|4.185528|2.742958|5.068998|2.274920|2.013727|1.800585|1.867988|3.812927|7.599853|12.477347|36.858105| |4.701056|4.251467|4.406374|5.159378|6.046010|5.648065|5.710168|0.124659|7.149668|12.564625|7.641691|33.692932|5.034658|5.079174|3.234402|5.950162|2.606166|2.259782|1.999964|2.089524|4.346175|6.307798|7.522905|12.424921|36.858105| |4.489060|3.741626|3.886991|5.052409|7.609476|6.625611|12.875771|0.255400|7.895045|5.465887|4.223240|29.455201|6.176029|7.839615|5.736994|11.728387|4.190098|3.539407|2.903617|2.941991|6.332778|3.237635|3.048563|3.534383|4.699042|53.358707| |4.071390|3.435811|3.507125|4.321148|5.855574|5.521726|7.653685|0.200274|5.216919|3.961449|3.275155|23.605705|4.605094|6.543078|5.192926|10.504374|4.163107|3.677282|3.021908|2.995937|6.258802|2.642038|2.513913|2.853102|3.578634|19.400941|36.858105| |4.321012|3.728962|3.797172|4.540735|5.742206|5.513411|6.239877|0.179913|4.244454|3.369491|2.814576|20.051649|3.754537|5.373245|4.065248|7.577816|3.539692|3.190013|2.760672|2.777862|5.648852|2.333061|2.271615|2.554182|3.169755|10.614092|13.490674|36.858105| |3.501625|3.104870|3.107060|3.506410|4.102127|4.097580|4.334795|0.126415|3.289122|2.727202|2.361681|17.048118|3.044191|4.455335|3.486714|6.497338|3.232954|3.061410|2.701954|2.658912|5.195844|2.010703|1.958640|2.172639|2.594523|7.106064|7.962105|13.979530|36.858105| |2.915323|2.584869|2.572007|2.878094|3.354205|3.379571|3.681951|0.105351|2.977459|2.506553|2.222355|16.306970|2.846789|4.230282|3.486006|6.717822|3.317390|3.296441|2.862252|2.708842|5.172276|1.909608|1.838874|2.027329|2.364338|6.288804|6.822869|7.856772|13.469397|36.858105| |2.848919|2.495043|2.492158|2.839782|3.399003|3.398952|3.942478|0.109981|3.271077|2.727837|2.430830|18.066252|3.176083|4.751146|4.126152|8.479837|3.820149|3.839770|3.159912|2.918791|5.649258|2.068495|1.961499|2.167951|2.523778|7.271237|7.990301|6.922858|8.065683|14.129403|36.858105| |3.247294|2.790998|2.814057|3.320713|4.186999|4.098436|5.241375|0.140890|4.218548|3.375701|2.936683|21.796930|4.022237|5.941053|5.227604|11.524945|4.377067|4.119265|3.264407|3.086990|6.267165|2.425759|2.276846|2.547603|3.046401|11.327158|14.178101|8.096085|7.079189|8.111049|14.036853|53.358707| |2.989568|2.589174|2.623687|3.098898|3.874909|3.751522|5.004291|0.131860|4.374020|3.523222|3.129516|23.721576|4.329347|6.401222|6.013163|15.184926|4.817349|4.561254|3.459167|3.215339|6.580387|2.571194|2.365935|2.632027|3.103923|10.618054|9.474419|5.859515|5.167612|5.879675|9.357102|25.845193|0.500000| |4.231702|4.787108|7.100124|10.908374|6.964401|4.755030|6.205698|0.196704|5.491470|4.666763|3.876366|26.170525|4.669816|5.801892|3.414718|5.536222|2.967330|2.482767|2.310145|2.568976|5.437222|3.159009|3.159358|3.270844|4.252956|5.774565|3.720133|3.839334|3.104122|2.619482|2.599389|4.076139|0.079209|448.794386| |17.731040|8.909619|5.653293|4.973145|5.623523|8.937088|4.070593|0.098357|3.402439|3.402693|2.755439|16.907653|2.755495|3.389353|2.358891|4.397147|2.050923|1.872420|1.692509|1.729730|3.437291|2.485089|2.736227|3.371358|4.100083|5.345969|3.674159|3.872180|3.282970|2.800286|2.732728|4.151658|0.078284|27.425810|0.500000| |8.899456|17.733654|8.941805|5.659850|4.916709|5.648200|3.528814|0.091253|3.053026|3.067896|2.559855|15.870022|2.539750|3.151366|2.126220|3.804312|1.891581|1.713285|1.587367|1.656641|3.280393|2.345907|2.617205|3.016407|3.592276|4.226201|2.916426|3.171458|2.749117|2.327432|2.232309|3.327479|0.063324|31.772134|0.214034|0.500000| |5.649608|8.898574|17.752985|8.949838|5.623653|4.969880|4.086107|0.112429|3.570713|3.468667|2.906105|18.386058|2.994114|3.719373|2.399293|4.126391|2.139342|1.890090|1.770576|1.898362|3.818326|2.590070|2.815359|3.053599|3.763714|4.436344|2.998658|3.250882|2.754710|2.313005|2.230887|3.369018|0.064569|54.862862|0.124054|0.214707|0.500000| |8.958314|5.661945|4.969149|5.679721|8.941581|17.745044|6.947822|0.146366|5.173872|4.774298|3.598955|22.185351|3.896571|4.679889|3.291368|6.388263|2.703356|2.416811|2.104834|2.135960|4.362411|3.016399|3.140762|3.967527|5.359249|10.325444|6.268344|5.750848|4.303679|3.666069|3.801660|6.407296|0.119817|31.441504|0.216559|0.124344|0.107848|0.500000| |2.580819|2.509189|2.859771|3.597536|3.836308|3.085639|5.238845|0.172752|6.025432|4.425502|4.412581|44.533914|9.217524|25.970088|9.463787|10.850267|7.709196|5.001350|4.381138|5.339545|15.081719|3.350212|2.841180|2.802140|3.327606|6.232177|4.035456|3.525297|3.003455|2.838723|3.098641|5.027870|0.107740|34.446345|0.063786|0.061338|0.074326|0.083763|0.500000| |1.983657|1.847467|1.941627|2.242279|2.505680|2.306502|3.092843|0.090627|3.077795|2.590229|2.553237|21.774677|3.558017|6.110004|6.466540|11.606728|8.834848|17.813628|8.459684|5.858983|10.440606|2.176813|1.929503|1.990066|2.216695|4.795694|3.714358|3.162244|3.081101|3.443220|4.174726|5.990056|0.140395|18.495312|0.051892|0.046568|0.050227|0.067435|0.115930|0.500000| |1.662157|1.595958|1.698744|1.923882|2.047341|1.871002|2.408180|0.072686|2.394414|2.069702|2.070574|17.549538|2.742653|4.634211|4.068463|6.486682|5.850929|8.468659|17.814057|8.815500|10.448649|1.816002|1.629633|1.641640|1.803828|3.460366|2.668952|2.478234|2.477031|2.658147|2.898658|3.957454|0.084915|16.507881|0.043456|0.040816|0.045032|0.053076|0.097794|0.193098|0.500000| |1.766590|1.737538|1.905753|2.187067|2.250998|1.984159|2.653382|0.083321|2.677751|2.284042|2.302126|20.051005|3.152903|5.525171|4.285497|6.185798|6.045182|5.823770|8.609366|17.835254|16.542482|1.995191|1.780830|1.758507|1.954348|3.558492|2.651644|2.519008|2.423714|2.435430|2.563877|3.652900|0.076531|19.933451|0.045371|0.044255|0.051234|0.054729|0.130355|0.123186|0.195254|0.500000| |2.503411|2.369005|2.478239|2.786050|3.021933|2.821968|3.316891|0.082376|4.402321|6.029400|8.941996|42.884051|4.348428|4.585010|3.020448|5.508867|2.514322|2.220649|1.981643|2.056528|4.207298|17.523123|8.823367|6.636675|5.306866|4.196903|2.545442|2.225290|1.939206|1.869253|2.045346|3.253833|0.071339|22.015464|0.064993|0.059779|0.064004|0.079385|0.086029|0.060763|0.050004|0.053565|0.500000| |2.428613|2.384990|2.581338|2.909233|2.999401|2.697029|3.251919|0.083586|4.333623|5.739718|8.915322|45.881142|4.410543|4.671240|2.934029|5.091372|2.493534|2.169439|1.979041|2.106037|4.330503|17.555491|8.800646|5.528796|4.865311|3.901460|2.396224|2.147994|1.871733|1.780355|1.915092|3.015075|0.064958|24.338200|0.061995|0.060339|0.068186|0.073211|0.091475|0.058057|0.049787|0.055731|0.303733|0.500000| |2.625597|2.555511|2.635999|2.810776|2.910598|2.798836|2.913797|0.072569|3.554716|4.862797|5.570252|27.381854|3.252699|3.576049|2.351147|4.242689|2.018812|1.806073|1.647445|1.718142|3.455507|8.854329|17.565801|8.810799|5.482883|3.586465|2.226045|2.027448|1.776046|1.682068|1.790523|2.789373|0.059207|21.628254|0.068696|0.065849|0.069124|0.076292|0.068867|0.049307|0.042061|0.045506|0.219784|0.206574|0.500000| |3.021041|3.038082|3.272217|3.542916|3.523708|3.232477|3.450492|0.086160|4.296547|6.134254|6.677542|30.933931|3.794892|4.061043|2.565168|4.515731|2.185915|1.917654|1.755833|1.862076|3.798629|8.847446|17.529072|8.852929|6.928364|3.990082|2.442141|2.250501|1.938989|1.800716|1.897069|2.976315|0.062340|27.837069|0.076305|0.076936|0.086257|0.084570|0.078997|0.051607|0.044461|0.049529|0.174072|0.219132|0.303025|0.500000| |3.346222|3.018558|2.987894|3.266477|3.701335|3.749428|3.731264|0.087181|4.536104|6.584989|6.256699|29.275012|3.827345|4.095226|2.761770|5.232785|2.283124|2.042173|1.809943|1.854714|3.767063|7.018148|8.878717|17.517167|8.838598|4.799965|2.857535|2.510152|2.153914|2.043129|2.215631|3.552428|0.076060|23.208015|0.088387|0.075516|0.074451|0.107732|0.075244|0.056724|0.045956|0.048186|0.199437|0.141011|0.211060|0.173839|0.500000| |3.728795|3.497375|3.416250|3.543190|3.786797|3.894312|3.492696|0.083022|3.992165|5.531396|4.952701|24.333914|3.305790|3.631441|2.411083|4.447135|2.040561|1.827416|1.649357|1.707346|3.443856|5.515250|8.815711|17.559709|8.869503|4.287169|2.618752|2.401858|2.065461|1.919846|2.026227|3.186991|0.066315|24.536440|0.098093|0.088825|0.085817|0.105405|0.068433|0.050274|0.042073|0.044919|0.138875|0.123369|0.214486|0.210167|0.303393|0.500000| |5.258290|5.089052|5.474998|6.245114|6.569644|5.931607|5.487880|0.124530|6.245752|8.884924|6.090430|29.585584|4.511844|4.737401|2.980330|5.347101|2.458499|2.133068|1.916588|2.021794|4.185646|5.266670|6.550102|8.836014|17.544027|5.823916|3.380887|3.128717|2.563357|2.293098|2.393309|3.861022|0.078581|39.575282|0.122317|0.117430|0.128722|0.142875|0.088643|0.057626|0.048148|0.053072|0.121028|0.122124|0.137766|0.195054|0.174424|0.221596|0.500000| |5.549076|4.576120|4.445687|5.123986|6.625398|7.056436|6.002289|0.125814|6.574762|8.883209|5.829049|29.245897|4.618356|4.870442|3.222430|6.118250|2.591226|2.273879|1.994332|2.056086|4.248305|4.888232|5.525246|8.885679|17.597084|7.257170|4.004488|3.500683|2.834115|2.576460|2.761182|4.586857|0.094571|31.662143|0.136334|0.105893|0.102275|0.198863|0.087351|0.062735|0.050120|0.053085|0.123836|0.108695|0.123687|0.140181|0.221827|0.209173|0.304792|0.500000| |3.802706|3.230469|3.343400|4.208612|5.817757|5.245618|9.205654|0.198466|8.087960|5.737252|4.612839|33.158319|6.914702|8.568657|6.673763|15.515038|4.548255|3.829115|3.047160|3.043121|6.593872|3.480131|3.166665|3.640685|4.678742|25.940044|9.675498|5.793349|4.369257|4.168284|5.094395|10.884182|0.251405|29.965389|0.095174|0.076234|0.079812|0.168514|0.132724|0.107767|0.073710|0.074129|0.094085|0.084715|0.076169|0.082672|0.103989|0.088136|0.113144|0.144925|0.500000| |5.161990|4.540069|4.720347|5.742334|7.142162|6.578692|6.770130|0.198681|4.390955|3.511648|2.880595|20.071467|3.749378|5.202298|3.715124|6.693746|3.235111|2.869106|2.541965|2.618602|5.348784|2.389188|2.364004|2.663101|3.368512|9.539795|8.858457|17.813655|8.963154|5.602101|4.985481|7.804271|0.127887|36.664514|0.122332|0.104151|0.109387|0.171846|0.096674|0.077670|0.063497|0.067119|0.062366|0.061212|0.058254|0.066011|0.071245|0.070141|0.095291|0.102624|0.143428|0.500000| |3.380367|3.084271|3.075963|3.357082|3.738863|3.758527|3.751631|0.110570|2.911069|2.467639|2.153276|15.444656|2.698187|3.918734|2.994777|5.452242|2.839901|2.704515|2.461217|2.447897|4.708014|1.858993|1.829121|2.015663|2.383423|5.715306|5.658661|9.048716|17.732889|8.841163|5.713814|6.886463|0.111175|24.014441|0.088634|0.077162|0.076932|0.105924|0.075098|0.074840|0.063446|0.063135|0.049622|0.048420|0.046315|0.050730|0.055091|0.053816|0.066494|0.071657|0.099338|0.216801|0.500000| |2.572786|2.317959|2.296571|2.514916|2.847882|2.887136|3.057027|0.087669|2.552835|2.196931|1.977214|14.522411|2.468262|3.661370|2.999863|5.699575|2.946909|3.008555|2.686958|2.519422|4.681753|1.725602|1.667084|1.823335|2.090080|4.992880|4.931094|5.608829|8.752169|17.782816|9.033315|7.799079|0.128072|18.630467|0.069581|0.058973|0.058215|0.085927|0.069490|0.087698|0.070876|0.063637|0.047084|0.044995|0.042715|0.045433|0.051086|0.048303|0.056583|0.062774|0.094243|0.123322|0.211445|0.500000| |2.494741|2.205732|2.199106|2.475364|2.908329|2.917132|3.354710|0.093084|2.926172|2.497347|2.275350|17.072672|2.906740|4.354361|3.863658|8.060607|3.693365|3.910061|3.200751|2.863203|5.405743|1.962784|1.850020|2.027925|2.310003|5.966479|5.762113|4.987959|5.653469|8.897995|17.779208|12.591974|0.229964|18.481300|0.067245|0.055480|0.055289|0.090404|0.079537|0.123852|0.083109|0.069587|0.054520|0.050681|0.047318|0.049429|0.058130|0.052663|0.060468|0.069675|0.122695|0.108258|0.123902|0.211836|0.500000| 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