Version2.2 2021-02-06T05:36:54Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccccc1[n+]2c(c3c(n[nH]c3nc2SCC(=O)NCCC4=CCCCC4)C)N C33560107 RHF 6-31G(d) (6D,7F) CCc1ccccc1[n+]2c(c3c(n[nH]c3nc2SCC(=O)NCCC4=CCCCC4)C)N C01[X(C24H31N6O1S1)] 183 C1 546 CCc1ccccc1[n+]1c(SCC(=O)NCCC2=CCCCC2)nc2c(c1N)c(C)n[nH]2 CCc1ccccc1[n+]1c(SCC(=O)NCCC2=CCCCC2)nc2c(c1N)c(C)n[nH]2 CCc1ccccc1[n+]2c(N)c3c(C)n[nH]c3nc2SCC(=O)NCCC4=CCCCC4 InChIKey=OPHKVVPCNLJDOC-UHFFFAOYSA-O InChI=1S/C24H30N6OS/c1-3-18-11-7-8-12-19(18)30-22(25)21-16(2)28-29-23(21)27-24(30)32-15-20(31)26-14-13-17-9-5-4-6-10-17/h7-9,11-12H,3-6,10,13-15H2,1-2H3,(H3,25,26,28,29,31)/p+1 InChI=1/C24H30N6OS/c1-3-18-11-7-8-12-19(18)30-22(25)21-16(2)28-29-23(21)27-24(30)32-15-20(31)26-14-13-17-9-5-4-6-10-17/h7-9,11-12H,3-6,10,13-15H2,1-2H3,(H3,25,26,28,29,31)/p+1/fC24H31N6OS/h26,29H,25H2/q+1 CCc1ccccc1[n+]2c(c3c(n[nH]c3nc2SCC(=O)NCCC4=CCCCC4)C)N C01[X(C24H31N6O1S1)] 183 C01 546 CCc1ccccc1[n+]1c(SCC(=O)NCCC2=CCCCC2)nc2c(c1N)c(C)n[nH]2 CC[C]1[CH][CH][CH][CH][C]1[N@]1[C]([N][C]2[C]([C]1[NH2])[C](=NN2)C)SC[C]([NH]CCC1=CCCCC1)=O CC[C]1[CH][CH][CH][CH][C]1N2[C](N)[C]3[C]([N][C]2SCC(=O)NCCC4=CCCCC4)NN=C3C InChIKey=AOKXCJRWQWUBGD-UHFFFAOYSA-N InChI=1S/C24H31N6OS/c1-3-18-11-7-8-12-19(18)30-22(25)21-16(2)28-29-23(21)27-24(30)32-15-20(31)26-14-13-17-9-5-4-6-10-17/h7-9,11-12H,3-6,10,13-15,25H2,1-2H3,(H,26,31)(H,27,28,29) InChI=1/C24H31N6OS/c1-3-18-11-7-8-12-19(18)30-22(25)21-16(2)28-29-23(21)27-24(30)32-15-20(31)26-14-13-17-9-5-4-6-10-17/h7-9,11-12H,3-6,10,13-15,25H2,1-2H3,(H,26,31)(H,27,28,29)/f/h26,29H 3274.6554539840 -1725.7909976 1-A 24819.8924 120 426 546 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.08789 -20.61987 -15.80275 -15.77370 -15.76349 -15.72503 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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| 11.2676 13.3707 17.5835 36.0227 38.8486 48.7481 50.7644 57.3141 65.6484 69.0741 78.6460 96.6756 106.7912 119.8119 140.2693 153.9515 169.9762 173.9233 178.7658 202.2931 214.4935 234.5447 235.8888 262.3945 265.8823 271.6436 304.9873 310.8538 350.8846 359.4593 369.5188 383.9655 390.1455 394.0705 425.4901 440.7771 457.9984 464.5596 469.7942 491.5612 499.8709 551.4443 556.8011 576.5164 579.6267 594.0318 604.4246 619.7901 641.7907 645.3821 655.2507 700.2376 707.5974 720.3769 722.1320 748.1905 752.3119 779.0548 786.6161 830.4177 838.9589 839.5866 851.6356 859.2909 868.3259 879.2075 885.2231 885.5132 893.7432 926.6926 938.6396 977.3038 999.9293 1006.3950 1027.3872 1035.8672 1043.9713 1060.7997 1064.9901 1098.1183 1099.5388 1113.1954 1115.4070 1123.5195 1138.8622 1142.6962 1146.1203 1152.2168 1160.2074 1170.7832 1183.8211 1186.2484 1200.0114 1213.7076 1218.9006 1226.6873 1251.2834 1262.6726 1269.4389 1285.0939 1292.4909 1309.7672 1318.7520 1327.0447 1332.9281 1343.4358 1357.5847 1381.6120 1387.9661 1398.9700 1412.9451 1444.7320 1446.4236 1452.4647 1464.9035 1476.5724 1484.2333 1495.7318 1508.2821 1511.3010 1526.1966 1530.7526 1542.2916 1556.5779 1564.6200 1566.9103 1584.1769 1601.3312 1613.0330 1624.6385 1626.4934 1626.8544 1630.2748 1632.6416 1633.9823 1635.4482 1639.5231 1641.9086 1643.7163 1652.5042 1654.2292 1657.8797 1663.7365 1720.4596 1762.3959 1770.4657 1788.6806 1801.7289 1806.1731 1840.9819 1900.5524 1946.2902 3176.9130 3180.4204 3193.8256 3197.9310 3202.7943 3206.8318 3213.9251 3218.9091 3223.4120 3238.4516 3238.7872 3243.7445 3248.2377 3261.4883 3262.3847 3267.1124 3274.4393 3284.8746 3294.9380 3316.4710 3328.9347 3332.2416 3332.9426 3375.6359 3379.4723 3393.9896 3408.2015 3823.0391 3873.5500 3899.5650 3945.4273 4.2363 4.8531 3.5941 4.4545 4.8730 5.1794 4.4534 4.9609 3.4032 3.3532 3.8518 3.1139 5.6726 2.9414 3.2906 3.6420 3.7409 4.1656 1.5825 1.9430 3.0284 2.0505 1.8396 3.1815 4.7239 2.5319 3.5272 2.8952 3.0828 2.2943 3.1964 2.9581 3.8361 4.8348 6.5272 4.9621 1.2027 1.3147 4.6198 2.2345 3.3764 4.2589 2.6426 2.9788 4.0156 1.3896 5.0594 3.9116 1.3321 5.1767 2.1509 5.0179 2.3612 4.0143 5.0445 2.8015 7.5449 8.3072 4.4920 1.6945 2.3148 2.0963 1.9631 1.9480 4.9616 1.8987 7.0876 6.0371 1.3580 2.5323 1.5437 2.2771 1.3690 2.9240 1.9376 1.3738 2.4058 2.5446 7.7981 1.4173 1.6854 3.8668 2.7790 1.7451 2.1934 2.9323 1.3619 1.9189 1.9564 1.5086 1.9447 2.5785 1.6997 1.9356 2.7827 4.2076 1.6513 2.0666 1.2739 3.1980 1.1161 2.1867 1.3742 1.8557 1.6843 2.3732 1.4795 4.5299 1.2722 1.3998 1.1570 1.3360 1.3339 1.1844 2.7493 1.2177 1.6340 1.4666 2.8041 1.4283 1.5657 1.5678 1.7231 1.4846 1.6586 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10.1854 3.8072 2.1335 1.0982 1.7452 106.2040 6.8795 0.7124 29.1290 1.1666 22.8576 7.9724 13.8631 0.1876 3.5783 1.1236 2.3942 0.0973 4.9505 23.0669 10.2394 3.1362 14.4402 24.7008 18.5104 2.1251 0.4032 2.7690 2.5347 0.8147 11.3257 6.5090 6.8642 1.4985 1.0771 36.7821 2.7820 26.7326 2.3271 16.5435 5.0282 10.7301 11.1038 0.5437 3.3079 0.4576 0.9938 9.1807 7.4707 1.5697 0.2593 19.4207 7.7619 0.4464 5.4440 7.2098 33.1476 0.9652 28.3992 25.2509 239.4038 27.8405 32.7611 129.2389 34.6244 1.6374 2.8230 4.3355 0.4714 7.4775 19.1188 15.9782 0.4968 59.4768 8.6338 11.1123 0.8871 3.3442 5.6343 0.0175 7.6022 25.4932 8.9911 19.5166 29.8019 31.4489 67.4756 0.9004 13.7627 7.1744 17.4107 2.6399 0.9101 2.3681 14.5634 9.8012 25.7648 0.3531 321.1701 50.4488 527.5544 24.1915 0.4383 358.4901 471.3428 382.7380 514.5445 1.1684 220.5455 31.0810 35.4203 21.6591 15.6332 38.8334 12.6029 28.0666 61.3948 53.0767 14.7893 15.2754 76.9991 71.6212 45.3287 15.2134 6.9870 8.7440 38.5522 41.9835 34.4866 1.4709 0.2357 11.3742 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16.21 19.24 25.30 51.83 55.89 70.14 73.04 82.46 94.45 99.38 113.15 139.09 153.65 172.38 201.82 221.50 244.56 250.24 257.20 291.05 308.61 337.46 339.39 377.53 382.55 390.83 438.81 447.25 504.84 517.18 531.66 552.44 561.33 566.98 612.19 634.18 658.96 668.40 675.93 707.25 719.20 793.41 801.11 829.48 833.95 854.68 869.63 891.74 923.39 928.56 942.76 1007.49 1018.07 1036.46 1038.99 1076.48 1082.41 1120.89 1131.77 1194.79 1207.07 1207.98 1225.31 1236.33 1249.33 1264.98 1273.64 1274.06 1285.90 1333.30 1350.49 1406.12 1438.68 1447.98 1478.18 1490.38 1502.04 1526.25 1532.28 1579.95 1581.99 1601.64 1604.82 1616.49 1638.57 1644.09 1649.01 1657.78 1669.28 1684.50 1703.25 1706.75 1726.55 1746.25 1753.73 1764.93 1800.32 1816.70 1826.44 1848.96 1859.61 1884.46 1897.39 1909.32 1917.79 1932.90 1953.26 1987.83 1996.97 2012.81 2032.91 2078.65 2081.08 2089.77 2107.67 2124.46 2135.48 2152.02 2170.08 2174.43 2195.86 2202.41 2219.01 2239.57 2251.14 2254.43 2279.28 2303.96 2320.79 2337.49 2340.16 2340.68 2345.60 2349.01 2350.94 2353.05 2358.91 2362.34 2364.94 2377.58 2380.07 2385.32 2393.75 2475.36 2535.69 2547.31 2573.51 2592.29 2598.68 2648.76 2734.47 2800.28 4570.87 4575.92 4595.20 4601.11 4608.11 4613.92 4624.12 4631.29 4637.77 4659.41 4659.89 4667.02 4673.49 4692.55 4693.84 4700.65 4711.19 4726.20 4740.68 4771.66 4789.59 4794.35 4795.36 4856.79 4862.31 4883.19 4903.64 5500.50 5573.17 5610.60 5676.59 0.570036 0.599552 0.600496 0.504619 -1725.220961 -1725.191446 -1725.190502 -1725.286378 3.215697D-04 MUNgauss RevisionA2.1 retrievium 06-Feb-2021 DUDE CCc1ccccc1[n+]2c(c3c(n[nH]c3nc2SCC(=O)NCCC4=CCCCC4)C)N C33560107 RHF 6-31G(d) (6D,10F) C1 451.228007 |X|Y|Z| 141.502035 61.704253 31.456473 65.002382 27 6 7 16 21 5 1 |36.858105| |12.413921|36.858105| |7.471365|12.557587|36.858105| |5.942906|7.575154|13.655896|36.858105| |4.256413|5.011764|7.853311|13.796033|36.858105| |3.710495|4.392464|6.753668|7.923172|13.715136|36.858105| |3.998288|4.945706|7.812375|6.903858|7.986317|13.824754|36.858105| |5.322247|7.410834|13.690779|8.041790|6.942560|7.953423|13.693253|36.858105| |4.833990|6.385946|7.701211|5.118834|4.535401|5.143241|7.839137|13.072266|53.358707| |4.654665|5.277080|5.754346|4.204287|3.806480|4.256920|5.905469|7.832741|18.985418|36.858105| |3.798759|4.168160|4.193422|3.262929|2.996941|3.298319|4.270183|5.159057|11.031625|13.664421|36.858105| |3.202183|3.306605|3.252747|2.671205|2.489826|2.700017|3.303368|3.761373|6.860646|7.178145|13.201047|36.858105| |2.794164|2.932397|2.845934|2.373619|2.221084|2.395013|2.880995|3.235483|5.782167|5.276978|8.561950|14.818843|53.358707| |2.872461|3.159301|3.063639|2.515566|2.341627|2.534715|3.096932|3.532049|6.587135|5.499021|8.786078|8.934771|19.103718|53.358707| |2.577761|2.840688|2.741849|2.294164|2.146511|2.308975|2.765788|3.101347|5.522600|4.341744|6.060759|6.219572|12.687701|26.044118|0.500000| |3.391614|3.903211|3.852971|3.031254|2.788736|3.054960|3.902432|4.658262|9.847023|8.044274|13.727854|8.497603|11.677501|19.667162|0.253803|36.858105| |3.424871|4.225806|4.238875|3.295053|3.018382|3.311437|4.278133|5.190732|10.974178|6.766645|7.816166|5.357393|7.364260|10.876807|0.191832|14.181421|53.358707| |3.985938|5.320485|5.738341|4.189017|3.777551|4.201360|5.790585|7.715354|18.585046|7.921360|7.013043|4.648596|5.876803|7.445825|0.132255|8.577239|20.182877|36.858105| |3.581505|4.955339|5.553374|4.413914|4.046855|4.389662|5.534263|6.604066|9.734089|4.809128|4.267021|3.256904|4.254289|5.148594|0.098771|4.915906|9.764086|10.872763|388.023441| |2.840278|3.615916|3.698082|3.131677|2.929248|3.124912|3.693977|4.124436|6.417317|3.718514|3.684236|2.995669|4.161672|5.233794|0.107422|4.604769|9.248404|6.993895|74.557320|36.858105| |2.511524|3.133632|3.224022|2.891656|2.753688|2.876814|3.209827|3.433673|4.914273|2.942072|2.863753|2.419220|3.344157|4.009719|0.082955|3.365723|5.998943|4.668673|50.392237|12.482342|36.858105| |2.569704|3.238122|3.416160|3.163846|3.040863|3.129130|3.381825|3.554065|4.791682|2.836440|2.673740|2.255822|3.056565|3.571729|0.072545|3.020846|5.217403|4.302511|49.162626|8.019606|15.869301|73.516695| |2.176196|2.617778|2.643549|2.406093|2.307621|2.401988|2.641430|2.791184|4.037145|2.528091|2.529678|2.206089|3.111233|3.707545|0.078754|2.979534|5.074254|3.710478|34.363653|7.894659|14.217642|15.042146|53.358707| |1.937477|2.283675|2.308006|2.163533|2.096859|2.154605|2.299860|2.388300|3.355559|2.140954|2.125706|1.888368|2.648171|3.068992|0.064930|2.427804|3.957032|2.933602|26.353666|5.007933|7.754285|12.000130|17.767882|36.858105| |1.917178|2.238075|2.202955|2.077071|1.980905|1.989362|2.100037|2.216110|3.091632|1.993213|1.977943|1.772404|2.482132|2.844880|0.060105|2.233717|3.573878|2.650715|23.200754|4.152542|5.756426|9.605117|10.401142|12.428637|36.858105| |1.701611|1.948865|1.930874|1.857850|1.792503|1.791112|1.857188|1.930568|2.654371|1.735219|1.715372|1.555944|2.169727|2.442642|0.051404|1.901367|2.969247|2.213155|18.898904|3.167049|4.108813|7.308667|6.766801|7.528672|12.586312|36.858105| |1.544851|1.742745|1.719417|1.653190|1.598633|1.602021|1.662594|1.724438|2.389199|1.585556|1.582907|1.454428|2.041526|2.283512|0.048380|1.751350|2.692221|1.977489|16.347971|2.728887|3.350292|5.802446|5.527638|5.594680|7.689276|14.389951|36.858105| |1.396122|1.555163|1.540498|1.498387|1.459201|1.457990|1.497219|1.539846|2.115887|1.416775|1.410346|1.305774|1.825711|2.017101|0.042553|1.540820|2.334918|1.721951|14.032867|2.263291|2.696700|4.774355|4.244177|4.014986|4.879147|7.590322|12.627631|36.858105| |1.402016|1.560536|1.552560|1.529578|1.494295|1.480558|1.502041|1.538280|2.083448|1.390277|1.369121|1.262853|1.749798|1.922751|0.040199|1.480830|2.242060|1.677499|13.793858|2.160239|2.582545|4.733881|3.903689|3.629610|4.352685|6.632540|7.558862|12.451307|36.858105| |1.498176|1.686441|1.699097|1.683585|1.656225|1.643914|1.659693|1.687645|2.264571|1.494443|1.458854|1.332905|1.836706|2.026189|0.042144|1.577461|2.412618|1.827608|15.383942|2.393195|2.950403|5.577995|4.403449|4.236107|4.878313|7.516932|6.709512|7.578943|12.470302|36.858105| |1.694137|1.939007|1.944054|1.908691|1.857471|1.839332|1.872358|1.925503|2.588783|1.685456|1.641207|1.483402|2.043925|2.279097|0.047390|1.790845|2.784239|2.120204|18.335512|2.907592|3.756340|7.207362|5.650578|5.763121|7.388524|12.564800|7.669782|6.389022|7.573226|12.452998|36.858105| |3.006663|2.944562|2.911442|2.472179|2.328503|2.500519|2.956118|3.264662|5.444486|5.531090|7.171086|12.729655|10.668094|7.264022|0.119400|5.132266|5.195225|3.549147|19.057515|2.447963|2.052159|3.462379|2.568657|1.650489|1.562415|1.392114|1.308165|1.186842|1.153686|1.213809|1.338017|36.858105| |4.871443|4.969325|5.598354|4.345374|3.996655|4.418360|5.772320|7.001281|11.182750|14.428135|7.952265|5.925040|5.893038|5.681602|0.095623|5.275648|6.272844|5.288385|27.248182|3.014773|2.508751|4.397060|2.973711|1.897089|1.783130|1.578113|1.448287|1.308308|1.292862|1.387476|1.549394|5.546682|53.358707| |17.552233|8.733929|6.711663|5.268469|4.048444|3.700972|4.100671|5.408256|7.000156|5.429844|4.319170|3.659151|4.192023|4.191874|0.075332|3.639868|4.785993|4.029406|24.278982|2.730495|2.378756|4.271877|2.826792|1.841993|1.803996|1.604328|1.466130|1.327880|1.326941|1.414753|1.589376|3.514979|8.348680|0.500000| |17.575994|8.742797|6.770705|6.414304|4.544606|3.754459|3.814657|4.758087|5.555326|3.907980|3.215912|2.773270|3.322408|3.392810|0.062848|2.893381|4.001345|3.411586|22.802698|2.560433|2.325000|4.298072|2.756125|1.830968|1.816922|1.632853|1.483025|1.350831|1.367154|1.463676|1.644455|2.663375|5.758273|0.301822|0.500000| |17.574310|8.811237|5.475795|4.574643|3.473363|3.087991|3.315373|4.247112|5.591172|4.026074|3.507492|3.054063|3.709625|3.806978|0.070569|3.214863|4.390748|3.602295|23.205983|2.712050|2.413793|4.345617|2.889463|1.898436|1.905274|1.691999|1.543606|1.394888|1.397296|1.480775|1.674240|2.872984|5.551243|0.301805|0.302077|0.500000| |8.857111|17.592598|8.850308|5.602813|4.171743|3.929445|4.668792|7.062774|10.165151|6.069193|4.958944|3.796738|4.616323|5.111283|0.092832|4.786010|7.157362|6.590243|39.612925|4.127212|3.404422|6.038633|3.863257|2.419184|2.361331|2.023465|1.813079|1.602951|1.591027|1.711650|1.978883|3.239009|7.047289|0.210009|0.172944|0.214285|0.500000| |8.854101|17.568026|8.990301|7.029967|4.717643|3.996192|4.266421|5.785622|6.816163|4.141673|3.466275|2.839477|3.530648|3.837359|0.072134|3.387624|5.121278|4.607963|34.050858|3.603518|3.251474|6.107962|3.687977|2.393198|2.388379|2.079564|1.843858|1.642471|1.660046|1.798454|2.085719|2.543479|5.291355|0.172761|0.210429|0.214037|0.305620|0.500000| |6.122552|7.096982|8.934721|17.723387|8.962329|5.647750|4.968670|5.692333|5.639759|3.554688|2.875490|2.418342|2.958483|3.116040|0.058572|2.698038|3.957630|3.556268|26.893710|2.834873|2.677340|5.224165|3.080020|2.066523|2.021447|1.824365|1.625880|1.481249|1.521812|1.668192|1.886483|2.265426|5.015720|0.141250|0.203348|0.134380|0.142484|0.205854|0.500000| |3.673042|4.103360|5.617527|8.952999|17.731886|8.909675|5.668929|4.989269|4.915867|3.146116|2.568383|2.191484|2.689794|2.815467|0.053204|2.409882|3.520881|3.128366|24.087687|2.579807|2.489713|4.921145|2.888613|1.965947|1.871002|1.718228|1.536733|1.415717|1.461387|1.621265|1.800717|2.078732|4.522924|0.096573|0.112267|0.085846|0.096289|0.111682|0.216951|0.500000| |3.085571|3.520964|4.891825|5.637033|8.878020|17.744344|8.941011|5.650873|5.686302|3.621082|2.925602|2.461694|3.004149|3.157140|0.059245|2.733699|3.993051|3.577590|26.740082|2.829397|2.658321|5.138632|3.073705|2.053458|1.884409|1.716519|1.542512|1.414049|1.438969|1.601088|1.771935|2.308938|5.137372|0.086154|0.087308|0.073287|0.089622|0.090974|0.124186|0.214002|0.500000| |3.390239|4.047265|5.601225|4.968544|5.656850|8.916352|17.719776|8.912662|9.930350|5.883691|4.448222|3.457964|4.123181|4.440899|0.080826|4.096448|6.041961|5.764234|37.371513|3.709147|3.181287|5.822264|3.609315|2.295649|2.063196|1.825527|1.643926|1.480619|1.475498|1.628268|1.826772|3.067177|7.569343|0.098350|0.089068|0.080594|0.111348|0.098565|0.107800|0.124215|0.214589|0.500000| |2.587185|3.187030|3.320115|2.840995|2.723629|2.982227|3.560773|3.830398|6.128892|3.687267|3.776029|3.109137|4.401209|5.637648|0.117937|4.854088|9.645157|6.583238|56.181049|17.630989|8.809750|10.954476|9.604680|4.633255|3.718711|2.924883|2.581934|2.163570|2.045248|2.252250|2.671156|2.516360|4.051206|0.070572|0.065092|0.068471|0.100229|0.086233|0.071075|0.066966|0.076434|0.103591|0.500000| |2.924543|3.688793|3.558618|2.974337|2.714492|2.830899|3.321274|3.834513|6.133984|3.683109|3.770762|3.104185|4.394510|5.630187|0.117786|4.848541|9.638383|6.585413|56.190038|17.624040|8.816932|11.029590|9.496429|4.628734|4.129823|3.116966|2.723876|2.247484|2.126388|2.308563|2.802223|2.512570|4.044892|0.077809|0.072156|0.079310|0.121032|0.102584|0.076126|0.066733|0.070879|0.091386|0.301948|0.500000| |2.122944|2.522935|2.515456|2.263181|2.161670|2.259960|2.513159|2.675470|3.977245|2.537129|2.602440|2.293844|3.295412|3.981713|0.086482|3.131973|5.307728|3.693129|31.760532|7.587072|9.435531|10.861309|26.061807|8.994500|6.395868|4.388328|3.816750|2.953973|2.658036|2.900449|3.585568|1.945776|2.961559|0.056774|0.054476|0.057917|0.077087|0.071621|0.059115|0.055108|0.059030|0.070739|0.206455|0.205641|0.500000| |1.932004|2.283769|2.353870|2.242755|2.204182|2.268339|2.387697|2.436560|3.347679|2.120171|2.072018|1.831923|2.538784|2.914345|0.060883|2.329904|3.784633|2.880807|26.559837|4.690526|7.381522|13.456771|12.602470|17.654868|8.784495|6.873183|5.005499|3.849265|3.674746|4.581326|6.278372|1.612178|2.578899|0.050935|0.051164|0.052115|0.066191|0.066655|0.059386|0.057746|0.060496|0.066083|0.120625|0.115372|0.181448|0.500000| |1.771037|2.055143|2.080620|1.954108|1.909118|1.976666|2.110330|2.170819|3.075364|1.996328|2.005622|1.806275|2.554700|2.947270|0.062972|2.290643|3.666402|2.664549|22.896263|4.289180|5.842824|8.997079|12.567632|17.595576|8.825879|6.822994|5.804235|4.191533|3.605871|4.076756|5.077862|1.584886|2.417738|0.047193|0.046555|0.048287|0.060502|0.059160|0.051819|0.049922|0.052816|0.059199|0.117088|0.111611|0.226021|0.303051|0.500000| |1.888077|2.184708|2.117664|1.974575|1.869330|1.879319|2.001506|2.132683|3.026819|1.974795|1.988829|1.797766|2.545320|2.927990|0.062584|2.266467|3.599705|2.606890|22.008713|4.028480|5.142011|8.090022|9.478760|8.875956|17.538799|8.884749|7.294363|4.635769|3.926166|4.074570|5.494128|1.580056|2.395429|0.049544|0.049370|0.052595|0.064791|0.064357|0.053438|0.048886|0.049319|0.054799|0.101554|0.116740|0.185077|0.173501|0.213555|0.500000| |2.099295|2.482682|2.421792|2.284680|2.151396|2.131578|2.242299|2.395590|3.304428|2.105276|2.064232|1.831563|2.541530|2.911214|0.060857|2.317952|3.736787|2.827654|25.403768|4.399589|6.172990|10.987353|9.594950|8.896796|17.524353|8.891226|5.822618|4.152857|3.983423|4.533246|7.035536|1.613727|2.563469|0.054221|0.055265|0.058019|0.072482|0.074933|0.062154|0.056330|0.055536|0.060334|0.104565|0.122563|0.159597|0.210790|0.174051|0.302614|0.500000| |1.533488|1.724827|1.691292|1.610702|1.551898|1.562044|1.635479|1.704830|2.392035|1.596931|1.610955|1.488016|2.106396|2.364465|0.050537|1.796254|2.753630|1.992437|16.207965|2.762599|3.312449|5.539663|5.613691|5.414942|7.153903|9.177831|17.648215|8.622578|5.462709|4.870530|5.500565|1.333939|1.976498|0.040597|0.040660|0.042718|0.050283|0.050372|0.043874|0.041240|0.041694|0.045115|0.073349|0.077837|0.112571|0.126883|0.164271|0.223662|0.148309|0.500000| |1.330907|1.478941|1.475812|1.436327|1.408958|1.417842|1.456528|1.486845|2.046773|1.375219|1.372189|1.274523|1.784932|1.968701|0.041600|1.498518|2.263060|1.663618|13.476698|2.174577|2.572194|4.529325|4.064619|3.820976|4.284495|6.090726|8.940242|17.487146|8.815182|6.564283|5.321821|1.160100|1.730332|0.035349|0.035785|0.036807|0.042349|0.043078|0.039264|0.037997|0.038409|0.040264|0.058593|0.059479|0.079199|0.103001|0.115592|0.113371|0.100663|0.201618|0.500000| |1.343824|1.485349|1.460052|1.417597|1.374759|1.369810|1.408188|1.454576|2.005903|1.352732|1.352362|1.259909|1.765954|1.943179|0.041078|1.474750|2.217207|1.625843|13.057356|2.096745|2.440683|4.283956|3.805926|3.443781|4.192951|5.812489|8.936676|17.528271|8.816003|5.526889|4.922114|1.148697|1.704132|0.035535|0.036104|0.037496|0.042584|0.043541|0.039062|0.037064|0.036849|0.038651|0.055766|0.058571|0.075035|0.090263|0.099537|0.116785|0.101947|0.215374|0.304792|0.500000| |1.304107|1.440434|1.437991|1.423620|1.398374|1.386828|1.400787|1.426479|1.928024|1.294436|1.274880|1.181801|1.635787|1.786493|0.037308|1.371158|2.059782|1.540231|12.530728|1.939105|2.277764|4.175646|3.402906|3.074399|3.513260|4.872361|5.530344|8.825360|17.550059|8.803667|5.500827|1.085557|1.647410|0.034399|0.035452|0.036075|0.040654|0.042384|0.039382|0.038167|0.037636|0.038306|0.051449|0.052913|0.064990|0.087202|0.086105|0.089823|0.090425|0.122203|0.219910|0.205924|0.500000| |1.431514|1.589131|1.566944|1.545421|1.498486|1.472248|1.491164|1.537981|2.078698|1.388155|1.364865|1.259092|1.741496|1.909932|0.039851|1.472218|2.224585|1.667777|13.677717|2.123439|2.515419|4.627810|3.744687|3.387309|4.215697|6.093326|6.585794|8.855646|17.515602|8.873542|6.953867|1.152002|1.760276|0.037461|0.038826|0.039827|0.044918|0.047272|0.043005|0.040751|0.039563|0.040444|0.055309|0.058661|0.071036|0.094138|0.091100|0.107469|0.111823|0.139454|0.174231|0.220382|0.303200|0.500000| |1.449580|1.631110|1.658476|1.641591|1.629527|1.634252|1.652666|1.665407|2.240868|1.481149|1.449087|1.325898|1.830130|2.019548|0.042077|1.569008|2.398127|1.811083|15.204239|2.378644|2.931307|5.496221|4.424827|4.300015|4.557746|6.582210|6.171421|6.952837|8.867891|17.511557|8.854673|1.207133|1.870554|0.038252|0.039302|0.039625|0.046068|0.047896|0.044856|0.044278|0.044502|0.045398|0.063130|0.063030|0.081159|0.132111|0.119851|0.106580|0.113808|0.130066|0.195278|0.140108|0.211273|0.173930|0.500000| |1.480487|1.659856|1.678734|1.682907|1.662357|1.638488|1.636077|1.656208|2.198384|1.451805|1.407519|1.285757|1.761158|1.931335|0.039940|1.508498|2.296346|1.754395|14.750134|2.234333|2.715389|5.238392|3.919872|3.602157|4.036923|5.508659|4.910222|5.502562|8.803272|17.546555|8.836295|1.177175|1.847642|0.038745|0.040459|0.040572|0.046373|0.049339|0.046585|0.045579|0.044465|0.044376|0.058276|0.059702|0.071776|0.110079|0.094924|0.095244|0.109665|0.106724|0.137554|0.123397|0.213561|0.211402|0.303205|0.500000| |1.762013|2.015040|1.998807|1.971819|1.899367|1.854267|1.877607|1.948588|2.601398|1.692495|1.639735|1.480182|2.030594|2.256491|0.046706|1.778897|2.758229|2.114711|18.269040|2.830752|3.583031|6.984009|5.175877|4.870001|6.506729|8.943785|6.170823|5.361959|6.606455|8.820920|17.480921|1.338599|2.125462|0.045542|0.047663|0.048601|0.056799|0.060986|0.054728|0.051297|0.049305|0.050364|0.071112|0.076840|0.092109|0.143117|0.116780|0.141737|0.197426|0.132028|0.121878|0.124538|0.138105|0.197204|0.174055|0.219297|0.500000| |1.773861|2.052138|2.090047|2.060593|2.022961|2.013616|2.043594|2.083011|2.777022|1.788710|1.727971|1.548723|2.123569|2.375160|0.049147|1.884716|2.957393|2.280459|20.227217|3.177619|4.253141|8.561708|6.213660|6.397154|7.006478|8.870862|5.813849|4.895932|5.520318|8.829559|17.520870|1.393079|2.233806|0.046233|0.047879|0.048246|0.057963|0.061233|0.056158|0.054418|0.054010|0.055405|0.080797|0.082775|0.105460|0.221805|0.149575|0.140524|0.192910|0.127250|0.122851|0.109061|0.123373|0.140377|0.219413|0.207963|0.305267|0.500000| |3.348089|3.146835|3.037870|2.576535|2.387074|2.510672|2.927860|3.298837|5.355247|5.416219|6.349493|8.891589|8.248317|6.213066|0.104622|4.581428|4.840144|3.407980|18.587354|2.354523|1.992108|3.391012|2.484429|1.605470|1.534801|1.370598|1.286129|1.168995|1.141003|1.199128|1.322605|17.543511|7.909531|0.111984|0.081768|0.089425|0.095377|0.074775|0.066216|0.059263|0.063816|0.082101|0.065998|0.067541|0.051969|0.043623|0.042609|0.043078|0.044317|0.036338|0.031631|0.031481|0.029821|0.031775|0.032988|0.032400|0.036965|0.038176|0.500000| |2.621643|2.565044|2.514059|2.173463|2.058163|2.195777|2.546741|2.772860|4.523365|4.277138|5.447549|9.000751|10.251430|6.729241|0.116089|4.407946|4.584977|3.072741|17.036353|2.252532|1.909303|3.206675|2.424652|1.567711|1.488734|1.332229|1.260483|1.146733|1.110748|1.162381|1.275427|17.630138|5.743337|0.083194|0.065258|0.070868|0.078078|0.062842|0.055976|0.051662|0.056961|0.073527|0.064685|0.064597|0.051348|0.042364|0.042106|0.042042|0.042465|0.035839|0.031193|0.030932|0.029092|0.030796|0.032143|0.031267|0.035386|0.036721|0.301470|0.500000| |2.860451|2.813938|2.882255|2.486298|2.391900|2.613380|3.086430|3.293021|5.345159|5.407813|6.342409|8.891946|8.254589|6.215050|0.104692|4.580320|4.840664|3.407012|18.593275|2.356102|1.993472|3.391007|2.488345|1.606927|1.511638|1.353840|1.271061|1.157418|1.128599|1.191755|1.308831|17.542502|7.904508|0.092809|0.071747|0.074511|0.084037|0.067620|0.062757|0.059397|0.067767|0.090589|0.067693|0.065945|0.052025|0.043927|0.042932|0.042192|0.043296|0.035872|0.031517|0.031041|0.029569|0.031225|0.033024|0.032185|0.036287|0.038001|0.299859|0.301519|0.500000| |5.241747|5.308717|6.571779|5.230115|4.849933|5.345669|6.844634|8.065836|10.206751|9.377057|5.770616|4.526101|4.821306|4.754376|0.082668|4.329976|5.514198|4.847020|26.986192|2.904928|2.473107|4.423651|2.910964|1.875313|1.766334|1.572225|1.437168|1.302921|1.296569|1.397762|1.559261|4.351728|26.028287|0.181587|0.131791|0.116339|0.142408|0.114626|0.119364|0.109312|0.122861|0.169705|0.078666|0.078498|0.058463|0.052518|0.048565|0.048043|0.052084|0.039784|0.035137|0.034566|0.033752|0.036060|0.038413|0.038185|0.043787|0.046052|0.127773|0.096972|0.127955|0.500000| 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